#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 5.42 0.47 1.61 0.15 -1.26 -5.08 113.70 115.02 2d86 s SER 2 Ca 0.00 -2.66 -0.25 0.00 0.70 0.00 0.00 55.95 53.74 2d86 s SER 2 Cb 0.00 -1.90 -0.08 0.00 -1.71 0.00 0.00 66.02 62.34 2d86 s SER 2 CO 0.00 -0.44 1.42 -0.44 1.20 0.00 0.00 173.24 174.98 2d86 s SER 3 N 1.13 5.75 -0.30 5.45 0.01 -1.26 -5.00 113.70 119.48 2d86 s SER 3 Ca 0.15 2.90 -0.20 0.00 1.31 0.00 0.00 55.95 60.10 2d86 s SER 3 Cb -0.20 -2.65 0.21 0.00 0.21 0.00 0.00 66.02 63.59 2d86 s SER 3 CO -0.04 -1.26 1.39 -0.83 0.41 0.00 0.00 173.24 172.91 2d86 s GLY 4 N -0.58 0.57 0.27 3.44 0.00 -1.26 -5.19 107.32 104.57 2d86 s GLY 4 Ca 0.63 3.79 -0.02 0.00 0.00 0.00 0.00 44.72 49.11 2d86 s GLY 4 CO 0.55 2.39 0.31 -0.56 0.00 0.00 0.00 173.10 175.79 2d86 s SER 5 N 0.51 0.55 -0.34 1.64 0.01 -1.26 -5.14 113.70 109.68 2d86 s SER 5 Ca -0.00 -1.38 -0.11 0.00 1.31 0.00 0.00 55.95 55.77 2d86 s SER 5 Cb -0.03 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2d86 s SER 5 CO -0.13 -1.05 0.19 -0.55 0.41 0.00 0.00 173.24 172.11 2d86 s SER 6 N -3.19 5.73 0.00 2.44 0.15 -1.26 -4.76 113.70 112.81 2d86 s SER 6 Ca 0.34 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2d86 s SER 6 Cb 0.03 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2d86 s SER 6 CO 0.16 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2d86 n GLY 7 N 5.02 -1.10 3.39 9.45 0.00 -1.26 -5.13 105.19 115.56 2d86 n GLY 7 Ca -0.13 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 2d86 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2d86 s MET 8 N -0.19 1.45 0.71 1.61 0.00 -1.26 -5.12 119.30 116.51 2d86 s MET 8 Ca 0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 55.69 53.89 2d86 s MET 8 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 34.83 33.44 2d86 s MET 8 CO 0.00 0.24 0.76 0.39 0.00 0.00 0.00 175.02 176.42 2d86 n GLU 9 N -0.41 0.42 0.18 3.16 -0.58 -1.26 -4.44 120.64 117.70 2d86 n GLU 9 Ca -0.07 0.19 0.14 0.00 -0.42 0.00 0.00 57.16 57.00 2d86 n GLU 9 Cb 0.60 -2.03 0.56 0.00 -0.57 0.00 0.00 31.44 30.00 2d86 n GLU 9 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2d86 h PRO 10 N -0.27 0.00 0.00 3.49 0.13 -1.99 -2.75 132.00 130.60 2d86 h PRO 10 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 2d86 h PRO 10 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 2d86 h PRO 10 CO 0.45 0.00 -0.88 0.11 -0.23 0.00 0.00 178.00 177.45 2d86 h TRP 11 N 0.00 0.00 0.11 1.56 5.08 -1.97 -2.83 115.95 117.90 2d86 h TRP 11 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2d86 h TRP 11 Cb 0.40 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.55 2d86 h TRP 11 CO 0.00 0.88 -0.11 0.87 -1.28 0.00 0.00 178.44 178.80 2d86 h LYS 12 N 0.00 -0.23 -0.16 0.12 1.79 -1.84 -2.59 116.57 113.66 2d86 h LYS 12 Ca -0.01 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 2d86 h LYS 12 Cb 1.61 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.31 2d86 h LYS 12 CO 0.11 -0.15 -0.12 1.96 -1.08 0.00 0.00 179.45 180.17 2d86 h GLN 13 N -0.24 0.36 -0.91 3.15 4.20 -1.69 -3.20 115.11 116.79 2d86 h GLN 13 Ca 0.00 -0.18 0.22 0.00 0.06 0.00 0.00 58.65 58.76 2d86 h GLN 13 Cb 0.23 -0.00 -0.17 0.00 0.30 0.00 0.00 27.48 27.84 2d86 h GLN 13 CO -0.03 0.71 -0.05 0.00 -0.67 0.00 0.00 178.83 178.80 2d86 n ALA 15 N -3.19 0.38 0.23 0.00 0.00 -0.98 -0.78 120.51 116.17 2d86 n ALA 15 Ca 0.18 1.08 -0.16 0.00 0.00 0.00 0.00 53.44 54.54 2d86 n ALA 15 Cb 0.60 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 19.23 2d86 n ALA 15 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2d86 h GLN 16 N 0.00 -0.83 -0.79 0.00 1.08 -0.75 -1.87 115.11 111.95 2d86 h GLN 16 Ca 0.55 0.06 0.18 0.00 -1.45 0.00 0.00 58.65 57.98 2d86 h GLN 16 Cb 1.01 0.19 -0.14 0.00 -0.05 0.00 0.00 27.48 28.48 2d86 h GLN 16 CO -0.98 -0.56 -0.03 2.35 -0.95 0.00 0.00 178.83 178.66 2d86 h TRP 17 N -0.86 -0.13 -0.22 2.96 7.01 -1.00 0.59 115.95 124.31 2d86 h TRP 17 Ca -0.05 0.06 0.05 0.00 2.11 0.00 0.00 58.89 61.07 2d86 h TRP 17 Cb 0.77 0.18 -0.06 0.00 -2.10 0.00 0.00 29.16 27.96 2d86 h TRP 17 CO -0.29 -0.28 -0.14 -0.07 -2.79 0.00 0.00 178.44 174.87 2d86 h LEU 18 N 0.07 -0.45 -0.91 0.65 3.38 -0.89 0.65 115.31 117.80 2d86 h LEU 18 Ca 0.43 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.59 2d86 h LEU 18 Cb 0.75 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 2d86 h LEU 18 CO -0.73 -0.18 0.56 0.40 0.09 0.00 0.00 178.44 178.59 2d86 h ILE 19 N -0.13 0.97 -0.00 1.22 2.04 -0.12 -0.97 117.51 120.51 2d86 h ILE 19 Ca 0.12 -0.33 -0.16 0.00 1.00 0.00 0.00 64.86 65.50 2d86 h ILE 19 Cb 0.31 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2d86 h ILE 19 CO -0.30 0.17 -0.73 0.45 0.00 0.00 0.00 178.15 177.75 2d86 h HIS 20 N 0.95 0.03 0.00 1.37 3.86 -0.27 -2.91 115.15 118.19 2d86 h HIS 20 Ca 0.43 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 2d86 h HIS 20 Cb 0.33 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2d86 h HIS 20 CO -0.03 0.74 0.00 0.00 0.86 0.00 0.00 177.93 179.51 2d86 n LYS 22 N -0.99 -4.29 0.00 0.00 4.76 -1.08 -4.74 118.16 111.83 2d86 n LYS 22 Ca 0.13 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2d86 n LYS 22 Cb 0.06 -4.61 0.00 0.00 -1.84 0.00 0.00 35.03 28.63 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 -3.13 0.00 -4.25 -0.18 0.24 -1.04 -4.90 118.33 105.08 2d86 n VAL 23 Ca -0.15 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 61.96 2d86 n VAL 23 Cb 0.60 -0.60 -0.13 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 -2.85 2.21 0.69 1.34 1.43 -1.23 -4.99 118.68 115.29 2d86 s LEU 24 Ca 0.00 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 2d86 s LEU 24 Cb 0.00 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 45.74 2d86 s LEU 24 CO 0.00 -0.03 1.10 -2.16 0.23 0.00 0.00 176.35 175.49 2d86 s PRO 25 N -1.33 2.63 0.42 1.29 0.04 -1.26 -4.20 135.00 132.59 2d86 s PRO 25 Ca -0.01 1.32 0.16 0.00 0.04 0.00 0.00 61.00 62.52 2d86 s PRO 25 Cb -0.08 -1.93 0.93 0.00 0.04 0.00 0.00 34.50 33.45 2d86 s PRO 25 CO 0.01 -1.37 1.91 1.79 0.04 0.00 0.00 177.00 179.38 2d86 h THR 26 N -0.32 1.07 -0.46 1.26 1.35 -2.01 -2.36 112.91 111.44 2d86 h THR 26 Ca -0.46 -0.98 -0.07 0.00 -0.55 0.00 0.00 66.41 64.36 2d86 h THR 26 Cb 1.24 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 69.17 2d86 h THR 26 CO 0.53 0.27 0.06 0.59 -0.25 0.00 0.00 175.52 176.72 2d86 n ASN 27 N -4.03 4.45 -3.78 5.36 5.03 -1.26 -4.95 115.26 116.08 2d86 n ASN 27 Ca -0.02 -3.12 -0.22 0.00 0.87 0.00 0.00 54.58 52.09 2d86 n ASN 27 Cb 0.34 -0.64 0.14 0.00 -1.02 0.00 0.00 39.78 38.60 2d86 n ASN 27 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2d86 n HIS 28 N -0.21 -2.04 0.11 3.10 -0.00 -0.89 -4.90 115.22 110.40 2d86 n HIS 28 Ca 0.29 0.09 0.08 0.00 0.46 0.00 0.00 57.72 58.64 2d86 n HIS 28 Cb 1.10 -1.42 0.02 0.00 -0.12 0.00 0.00 29.99 29.57 2d86 n HIS 28 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2d86 h ARG 29 N -2.41 0.00 0.00 1.57 0.11 -1.95 -3.30 114.38 108.39 2d86 h ARG 29 Ca -0.31 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.74 2d86 h ARG 29 Cb 0.92 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.00 2d86 h ARG 29 CO 0.20 0.10 -0.14 -0.39 0.10 0.00 0.00 179.97 179.85 2d86 h VAL 30 N 0.00 0.33 0.00 0.08 -1.51 -1.95 -2.70 116.25 110.50 2d86 h VAL 30 Ca -0.03 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 2d86 h VAL 30 Cb 1.15 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 32.05 2d86 h VAL 30 CO 0.02 0.14 0.00 0.71 -1.23 0.00 0.00 177.57 177.20 2d86 h THR 31 N 0.00 0.00 -2.94 7.19 1.35 -1.92 -3.45 112.91 113.15 2d86 h THR 31 Ca -0.00 -0.53 -0.53 0.00 -0.55 0.00 0.00 66.41 64.80 2d86 h THR 31 Cb 0.72 1.48 0.03 0.00 -1.73 0.00 0.00 68.15 68.65 2d86 h THR 31 CO 0.02 0.00 0.78 0.26 -0.25 0.00 0.00 175.52 176.33 2d86 s TRP 32 N -3.19 3.14 0.60 4.73 0.52 -1.02 -4.87 118.94 118.85 2d86 s TRP 32 Ca 0.08 0.83 0.29 0.00 0.02 0.00 0.00 56.10 57.32 2d86 s TRP 32 Cb 0.10 -3.75 1.49 0.00 -1.15 0.00 0.00 33.47 30.16 2d86 s TRP 32 CO 0.57 -2.71 1.90 -0.44 0.02 0.00 0.00 176.95 176.29 2d86 h ASP 33 N 6.94 0.00 0.21 2.95 3.32 -1.89 0.28 116.42 128.23 2d86 h ASP 33 Ca -0.42 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.44 2d86 h ASP 33 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2d86 h ASP 33 CO 0.88 0.00 -0.72 0.28 -1.72 0.00 0.00 179.24 177.96 2d86 h SER 34 N 0.00 0.53 -2.18 6.45 0.02 -1.91 -3.46 113.55 113.00 2d86 h SER 34 Ca 0.18 -0.34 -0.49 0.00 -0.84 0.00 0.00 61.79 60.30 2d86 h SER 34 Cb 1.10 -0.16 0.24 0.00 0.14 0.00 0.00 62.40 63.72 2d86 h SER 34 CO -0.00 1.08 -1.50 0.00 -1.14 0.00 0.00 176.83 175.28 2d86 n ALA 35 N -2.52 -4.44 -2.40 3.77 0.00 0.97 -5.03 120.51 110.86 2d86 n ALA 35 Ca -0.04 -1.08 -0.08 0.00 0.00 0.00 0.00 53.44 52.23 2d86 n ALA 35 Cb 0.70 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.92 0.79 0.37 0.00 -0.21 -1.26 -5.01 119.66 111.42 2d86 s GLN 36 Ca 0.49 -1.07 0.24 0.00 0.02 0.00 0.00 55.36 55.04 2d86 s GLN 36 Cb -0.09 0.30 1.30 0.00 1.00 0.00 0.00 33.01 35.52 2d86 s GLN 36 CO 0.69 -0.23 1.44 1.33 -2.12 0.00 0.00 175.29 176.41 2d86 n VAL 37 N -0.02 -0.31 0.41 1.09 0.24 -1.26 0.23 118.33 118.71 2d86 n VAL 37 Ca -0.14 1.77 -0.18 0.00 -2.04 0.00 0.00 64.34 63.74 2d86 n VAL 37 Cb 0.62 -2.88 -0.09 0.00 -1.47 0.00 0.00 33.84 30.02 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 -0.94 -0.94 6.34 3.04 -1.96 0.95 116.94 123.43 2d86 h PHE 38 Ca 0.79 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.82 2d86 h PHE 38 Cb 2.33 0.31 -0.13 0.00 2.56 0.00 0.00 35.95 41.02 2d86 h PHE 38 CO -0.01 -0.58 -0.54 -0.44 -2.02 0.00 0.00 178.31 174.72 2d86 h ASP 39 N -1.04 -1.96 0.38 0.41 3.32 -0.62 1.30 116.42 118.21 2d86 h ASP 39 Ca -0.10 0.32 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 2d86 h ASP 39 Cb 0.78 0.89 -0.01 0.00 0.22 0.00 0.00 39.33 41.22 2d86 h ASP 39 CO 0.17 -0.26 -0.22 0.25 -1.72 0.00 0.00 179.24 177.46 2d86 h LEU 40 N -0.04 0.00 -0.35 1.55 5.85 -1.49 -2.01 115.31 118.83 2d86 h LEU 40 Ca 0.19 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2d86 h LEU 40 Cb 0.47 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2d86 h LEU 40 CO -0.91 0.22 -0.23 0.00 -0.34 0.00 0.00 178.44 177.17 2d86 h ALA 41 N 1.78 0.88 0.03 1.25 0.00 0.35 -3.26 119.26 120.30 2d86 h ALA 41 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2d86 h ALA 41 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2d86 h ALA 41 CO 0.03 0.29 -0.02 1.96 0.00 0.00 0.00 179.25 181.52 2d86 h GLN 42 N 0.00 -0.04 -0.32 0.00 4.20 0.19 0.20 115.11 119.35 2d86 h GLN 42 Ca -0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 2d86 h GLN 42 Cb 1.05 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 2d86 h GLN 42 CO 0.03 0.64 0.38 0.00 -0.67 0.00 0.00 178.83 179.21 2d86 h THR 43 N -0.85 0.36 0.00 -0.54 1.03 -1.59 0.14 112.91 111.46 2d86 h THR 43 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2d86 h THR 43 Cb 0.70 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.48 2d86 h THR 43 CO 0.01 0.00 -1.73 0.18 -0.01 0.00 0.00 175.52 173.97 2d86 n LEU 44 N -3.65 0.12 -0.36 0.00 4.77 -1.22 -3.99 117.00 112.67 2d86 n LEU 44 Ca 0.05 -0.07 0.06 0.00 -0.03 0.00 0.00 56.01 56.02 2d86 n LEU 44 Cb 0.53 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.84 2d86 n LEU 44 CO 0.26 0.03 1.25 -0.09 -1.33 0.00 0.00 177.39 177.51 2d86 h ARG 45 N 0.00 1.02 -0.46 3.23 2.43 0.23 0.27 114.38 121.11 2d86 h ARG 45 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2d86 h ARG 45 Cb 0.81 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2d86 h ARG 45 CO 0.00 0.68 0.00 -0.25 -1.51 0.00 0.00 179.97 178.89 2d86 n ASP 46 N -4.57 0.66 -2.51 -3.80 8.00 -1.19 -4.73 116.55 108.41 2d86 n ASP 46 Ca 0.18 -2.02 -0.03 0.00 0.71 0.00 0.00 54.79 53.62 2d86 n ASP 46 Cb 0.30 -0.24 -0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2d86 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d86 n GLY 47 N 0.32 -0.50 0.06 0.44 0.00 0.97 -4.69 105.19 101.78 2d86 n GLY 47 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.01 0.91 0.06 1.61 2.07 -1.76 -3.35 116.25 115.77 2d86 h VAL 48 Ca -0.07 -1.70 -0.14 0.00 0.82 0.00 0.00 66.70 65.60 2d86 h VAL 48 Cb 1.05 1.74 0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2d86 h VAL 48 CO 0.09 0.31 -0.58 0.25 0.02 0.00 0.00 177.57 177.65 2d86 h LEU 49 N -1.00 0.42 -0.73 2.57 5.85 -1.87 -3.32 115.31 117.23 2d86 h LEU 49 Ca -0.01 -0.86 0.07 0.00 0.84 0.00 0.00 57.88 57.92 2d86 h LEU 49 Cb 0.55 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 2d86 h LEU 49 CO -0.01 1.23 -0.40 0.18 -0.34 0.00 0.00 178.44 179.10 2d86 n LEU 50 N -4.26 -0.72 -0.36 2.25 4.77 -1.26 0.21 117.00 117.63 2d86 n LEU 50 Ca -0.12 1.29 0.04 0.00 -0.03 0.00 0.00 56.01 57.20 2d86 n LEU 50 Cb 0.69 -0.19 0.20 0.00 -2.33 0.00 0.00 43.42 41.79 2d86 n LEU 50 CO 0.45 -1.07 1.24 0.00 -1.33 0.00 0.00 177.39 176.69 2d86 h GLN 52 N 1.08 0.65 -0.79 0.00 4.20 0.24 -2.58 115.11 117.91 2d86 h GLN 52 Ca 0.45 -0.05 0.12 0.00 0.06 0.00 0.00 58.65 59.24 2d86 h GLN 52 Cb 0.30 -0.14 -0.13 0.00 0.30 0.00 0.00 27.48 27.81 2d86 h GLN 52 CO -0.21 0.45 -0.41 1.25 -0.67 0.00 0.00 178.83 179.23 2d86 h LEU 53 N 0.66 -1.46 -0.49 1.46 5.85 -0.03 0.28 115.31 121.58 2d86 h LEU 53 Ca 0.18 0.28 -0.01 0.00 0.84 0.00 0.00 57.88 59.16 2d86 h LEU 53 Cb -0.05 0.71 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2d86 h LEU 53 CO -0.04 -0.30 0.25 -0.07 -0.34 0.00 0.00 178.44 177.95 2d86 h LEU 54 N -0.10 0.63 -2.56 2.25 3.38 -1.54 -1.74 115.31 115.63 2d86 h LEU 54 Ca 0.26 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2d86 h LEU 54 Cb 0.56 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2d86 h LEU 54 CO -0.83 0.56 0.05 0.78 0.09 0.00 0.00 178.44 179.09 2d86 h ASN 55 N 0.65 0.00 0.01 -0.43 2.35 -0.36 -0.37 115.58 117.43 2d86 h ASN 55 Ca 0.17 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 2d86 h ASN 55 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2d86 h ASN 55 CO -0.02 0.00 -0.10 0.78 -1.65 0.00 0.00 177.43 176.43 2d86 h ASN 56 N 0.00 0.07 0.27 5.81 2.35 0.31 -3.37 115.58 121.01 2d86 h ASN 56 Ca 0.01 -0.91 -0.01 0.00 -0.55 0.00 0.00 56.30 54.84 2d86 h ASN 56 Cb 0.11 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2d86 h ASN 56 CO -0.00 0.97 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.55 2d86 h LEU 57 N -0.83 -0.31 -9.23 1.61 3.38 -0.98 -3.45 115.31 105.52 2d86 h LEU 57 Ca -0.02 -0.13 -0.62 0.00 0.09 0.00 0.00 57.88 57.21 2d86 h LEU 57 Cb 1.00 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 2d86 h LEU 57 CO 0.02 -0.05 -0.76 -0.60 0.09 0.00 0.00 178.44 177.15 2d86 s ARG 58 N -5.26 1.77 0.19 1.13 3.52 -0.20 -4.90 118.95 115.20 2d86 s ARG 58 Ca -0.15 -1.59 -0.09 0.00 -0.13 0.00 0.00 55.73 53.77 2d86 s ARG 58 Cb 0.03 -1.90 -0.07 0.00 -1.56 0.00 0.00 34.95 31.46 2d86 s ARG 58 CO 0.60 0.37 0.50 0.00 -0.81 0.00 0.00 175.30 175.96 2d86 s ALA 59 N -2.15 3.63 -1.83 6.12 0.00 -1.26 -4.07 121.76 122.20 2d86 s ALA 59 Ca 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2d86 s ALA 59 Cb -0.06 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2d86 s ALA 59 CO 0.14 0.54 0.00 0.72 0.00 0.00 0.00 175.76 177.17 2d86 n HIS 60 N 0.12 -0.49 -0.04 0.00 8.25 -1.26 -4.89 115.22 116.91 2d86 n HIS 60 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 2d86 n HIS 60 Cb 0.52 -3.51 -0.08 0.00 1.12 0.00 0.00 29.99 28.04 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 0.30 -3.34 0.41 0.02 -1.86 -3.45 113.55 105.62 2d86 h SER 61 Ca -0.43 -0.54 -0.18 0.00 -0.84 0.00 0.00 61.79 59.81 2d86 h SER 61 Cb 1.30 -0.08 -0.29 0.00 0.14 0.00 0.00 62.40 63.46 2d86 h SER 61 CO 0.56 0.78 -0.44 -0.63 -1.14 0.00 0.00 176.83 175.95 2d86 s ILE 62 N -4.08 -0.04 -0.45 3.27 1.01 -1.26 -4.82 121.20 114.84 2d86 s ILE 62 Ca -0.15 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 2d86 s ILE 62 Cb 0.04 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 42.11 2d86 s ILE 62 CO 0.74 0.05 1.10 0.21 0.00 0.00 0.00 174.94 177.04 2d86 s ASN 63 N 1.24 6.67 0.39 3.58 2.47 -1.26 -4.89 114.94 123.13 2d86 s ASN 63 Ca -0.09 0.53 0.17 0.00 0.42 0.00 0.00 52.86 53.89 2d86 s ASN 63 Cb -0.10 -2.54 1.06 0.00 -1.45 0.00 0.00 41.25 38.23 2d86 s ASN 63 CO -0.09 -1.16 1.77 -0.07 -3.72 0.00 0.00 177.10 173.83 2d86 h LEU 64 N 10.94 0.49 -0.99 3.21 3.38 -1.99 0.35 115.31 130.69 2d86 h LEU 64 Ca -0.23 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2d86 h LEU 64 Cb 1.06 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2d86 h LEU 64 CO 1.10 0.10 0.34 0.11 0.09 0.00 0.00 178.44 180.18 2d86 h LYS 65 N 0.43 1.05 0.00 1.13 6.56 -2.03 -1.65 116.57 122.07 2d86 h LYS 65 Ca 0.59 -0.15 -0.02 0.00 -1.06 0.00 0.00 60.65 60.01 2d86 h LYS 65 Cb 1.43 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2d86 h LYS 65 CO -0.31 0.82 -0.09 0.93 -2.06 0.00 0.00 179.45 178.74 2d86 h GLU 66 N 1.04 0.00 -5.21 3.15 5.08 -0.71 -3.41 114.58 114.53 2d86 h GLU 66 Ca 0.25 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.99 2d86 h GLU 66 Cb 0.13 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.20 2d86 h GLU 66 CO -0.03 0.09 -0.59 0.96 -1.00 0.00 0.00 179.01 178.44 2d86 s ILE 67 N -4.12 4.56 -0.63 3.13 -4.36 -0.62 -5.01 121.20 114.14 2d86 s ILE 67 Ca -0.03 -0.11 -0.27 0.00 -0.26 0.00 0.00 60.65 59.98 2d86 s ILE 67 Cb 0.13 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.77 2d86 s ILE 67 CO 0.56 0.44 1.60 0.20 0.24 0.00 0.00 174.94 177.97 2d86 s ASN 68 N 0.65 5.72 0.20 4.36 0.01 -1.26 -4.88 114.94 119.74 2d86 s ASN 68 Ca 0.02 0.11 -0.29 0.00 -0.71 0.00 0.00 52.86 51.99 2d86 s ASN 68 Cb -0.13 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 38.90 2d86 s ASN 68 CO 0.02 -2.07 0.92 -0.76 -1.51 0.00 0.00 177.10 173.69 2d86 s LEU 69 N 7.43 4.61 -0.31 0.60 1.43 -1.26 -4.11 118.68 127.05 2d86 s LEU 69 Ca 0.55 1.86 -0.01 0.00 -1.03 0.00 0.00 54.13 55.50 2d86 s LEU 69 Cb -0.11 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2d86 s LEU 69 CO 0.20 0.12 0.27 -1.14 0.23 0.00 0.00 176.35 176.02 2d86 n ARG 70 N 1.81 -1.24 0.00 1.70 0.63 -1.26 -4.91 116.66 113.38 2d86 n ARG 70 Ca -0.02 0.24 0.07 0.00 -0.92 0.00 0.00 57.85 57.23 2d86 n ARG 70 Cb 0.48 -3.08 0.42 0.00 0.45 0.00 0.00 32.46 30.73 2d86 n ARG 70 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2d86 n PRO 71 N -1.93 0.49 -4.19 -0.14 -0.04 -1.26 -4.84 135.00 123.09 2d86 n PRO 71 Ca -0.05 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.05 2d86 n PRO 71 Cb 0.54 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.96 -2.22 -2.85 0.54 6.02 -1.26 -0.17 117.38 116.49 2d86 n GLN 72 Ca 0.11 0.27 -0.10 0.00 -0.01 0.00 0.00 57.00 57.27 2d86 n GLN 72 Cb 0.05 -4.93 0.05 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 -4.10 -3.90 -3.56 -1.09 2.81 -1.26 -5.01 117.12 101.01 2d86 n MET 73 Ca 0.08 0.49 -0.38 0.00 -1.81 0.00 0.00 57.70 56.09 2d86 n MET 73 Cb 0.48 -4.46 -0.10 0.00 -0.71 0.00 0.00 33.22 28.43 2d86 n MET 73 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2d86 s SER 74 N -3.75 6.13 0.13 7.83 0.15 0.77 -4.99 113.70 119.97 2d86 s SER 74 Ca 0.02 0.13 -0.26 0.00 0.70 0.00 0.00 55.95 56.54 2d86 s SER 74 Cb -0.01 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.13 2d86 s SER 74 CO 0.42 -0.03 1.62 -0.61 1.20 0.00 0.00 173.24 175.84 2d86 h GLN 75 N 7.94 -0.39 0.00 5.44 4.15 -1.95 0.34 115.11 130.65 2d86 h GLN 75 Ca -0.36 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.09 2d86 h GLN 75 Cb 1.18 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2d86 h GLN 75 CO 0.62 -0.26 0.00 1.19 -1.93 0.00 0.00 178.83 178.45 2d86 n PHE 76 N -5.40 0.00 -0.23 3.99 3.01 -1.26 -1.00 117.46 116.56 2d86 n PHE 76 Ca -0.04 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.36 2d86 n PHE 76 Cb 0.32 -0.43 -0.02 0.00 -0.01 0.00 0.00 39.48 39.33 2d86 n PHE 76 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2d86 h LEU 77 N 0.00 -1.43 -0.05 4.37 3.38 -1.93 0.32 115.31 119.97 2d86 h LEU 77 Ca 0.00 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.23 2d86 h LEU 77 Cb 0.00 0.67 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2d86 h LEU 77 CO 0.00 -0.32 -0.08 0.00 0.09 0.00 0.00 178.44 178.13 2d86 h LEU 79 N -0.07 0.14 0.51 0.00 3.38 -0.57 -0.53 115.31 118.17 2d86 h LEU 79 Ca 0.01 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2d86 h LEU 79 Cb 0.09 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2d86 h LEU 79 CO -0.08 -0.12 -0.34 0.50 0.09 0.00 0.00 178.44 178.49 2d86 h LYS 80 N 0.27 -0.78 -0.04 1.13 3.11 0.36 -2.99 116.57 117.63 2d86 h LYS 80 Ca 0.58 0.05 0.02 0.00 -2.81 0.00 0.00 60.65 58.49 2d86 h LYS 80 Cb 1.17 0.18 -0.05 0.00 -1.00 0.00 0.00 32.23 32.53 2d86 h LYS 80 CO -0.62 -0.52 -0.42 -0.91 -2.81 0.00 0.00 179.45 174.17 2d86 h ASN 81 N -0.81 -1.31 -0.70 4.20 2.35 0.94 -1.80 115.58 118.45 2d86 h ASN 81 Ca -0.06 0.15 0.10 0.00 -0.55 0.00 0.00 56.30 55.94 2d86 h ASN 81 Cb 0.67 0.50 -0.11 0.00 0.05 0.00 0.00 38.32 39.44 2d86 h ASN 81 CO 0.04 -0.40 -0.30 -0.38 -1.65 0.00 0.00 177.43 174.74 2d86 n ILE 82 N -4.79 -0.39 0.23 2.81 5.41 -0.72 0.34 119.36 122.25 2d86 n ILE 82 Ca -0.05 1.65 -0.15 0.00 1.00 0.00 0.00 62.75 65.19 2d86 n ILE 82 Cb 0.30 -2.14 -0.08 0.00 -0.71 0.00 0.00 39.64 37.01 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 -0.63 -1.67 0.38 3.08 -1.26 -1.92 114.38 112.36 2d86 h ARG 83 Ca 0.22 0.04 0.52 0.00 0.07 0.00 0.00 59.98 60.83 2d86 h ARG 83 Cb 0.39 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 30.48 2d86 h ARG 83 CO -0.68 -0.42 1.15 2.41 -1.07 0.00 0.00 179.97 181.35 2d86 n THR 84 N -5.41 -0.11 0.11 2.04 -1.04 0.15 0.19 114.28 110.21 2d86 n THR 84 Ca -0.10 1.59 -0.24 0.00 -2.04 0.00 0.00 64.05 63.27 2d86 n THR 84 Cb 0.31 -2.63 -0.15 0.00 -1.82 0.00 0.00 70.33 66.04 2d86 n THR 84 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2d86 h PHE 85 N 0.00 0.84 -0.62 -1.42 3.57 -0.82 -3.21 116.94 115.28 2d86 h PHE 85 Ca 0.89 -0.61 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2d86 h PHE 85 Cb 3.27 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 41.95 2d86 h PHE 85 CO -0.00 1.60 0.35 -0.07 -2.23 0.00 0.00 178.31 177.97 2d86 h LEU 86 N 0.13 0.75 -0.16 0.59 3.38 0.27 -2.50 115.31 117.77 2d86 h LEU 86 Ca -0.29 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2d86 h LEU 86 Cb 2.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 2d86 h LEU 86 CO 0.23 0.59 -0.01 0.00 0.09 0.00 0.00 178.44 179.34 2d86 h THR 87 N 0.86 1.26 -0.24 0.22 1.03 -1.14 -2.86 112.91 112.04 2d86 h THR 87 Ca 0.22 -0.88 0.07 0.00 -0.01 0.00 0.00 66.41 65.81 2d86 h THR 87 Cb -0.00 1.53 -0.01 0.00 -1.07 0.00 0.00 68.15 68.60 2d86 h THR 87 CO -0.04 0.26 0.17 0.00 -0.01 0.00 0.00 175.52 175.90 2d86 h ALA 88 N 0.75 2.22 0.00 0.00 0.00 -1.49 0.68 119.26 121.42 2d86 h ALA 88 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2d86 h ALA 88 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2d86 h ALA 88 CO 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.97 2d86 n GLU 91 N -1.51 0.65 -0.07 0.00 -0.58 0.21 -3.37 120.64 115.97 2d86 n GLU 91 Ca 0.00 0.36 -0.12 0.00 -0.42 0.00 0.00 57.16 56.98 2d86 n GLU 91 Cb 0.03 -1.66 -0.09 0.00 -0.57 0.00 0.00 31.44 29.15 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 -0.50 1.13 0.00 2.62 2.02 -0.46 -3.42 112.91 114.29 2d86 h THR 92 Ca -0.47 -1.93 -0.05 0.00 0.77 0.00 0.00 66.41 64.73 2d86 h THR 92 Cb 1.69 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 70.31 2d86 h THR 92 CO -0.13 0.38 -0.53 -0.26 0.37 0.00 0.00 175.52 175.35 2d86 h PHE 93 N -1.00 0.00 -0.11 3.16 -1.00 -1.58 -3.50 116.94 112.90 2d86 h PHE 93 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2d86 h PHE 93 Cb 0.80 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.36 2d86 h PHE 93 CO 0.15 0.41 0.00 0.41 -1.61 0.00 0.00 178.31 177.67 2d86 n GLY 94 N 1.61 0.78 4.01 -1.45 0.00 -0.91 -4.94 105.19 104.28 2d86 n GLY 94 Ca -0.11 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.16 2.27 -0.59 1.61 -1.94 0.03 -4.93 119.30 114.59 2d86 s MET 95 Ca 0.00 -1.76 -0.28 0.00 -1.71 0.00 0.00 55.69 51.94 2d86 s MET 95 Cb 0.00 -2.50 0.02 0.00 2.01 0.00 0.00 34.83 34.36 2d86 s MET 95 CO 0.00 -0.84 1.29 1.03 -0.01 0.00 0.00 175.02 176.49 2d86 s ARG 96 N -4.59 3.40 0.66 2.03 1.81 -1.26 -4.67 118.95 116.34 2d86 s ARG 96 Ca 0.55 0.28 0.30 0.00 -1.72 0.00 0.00 55.73 55.15 2d86 s ARG 96 Cb -0.05 -4.07 1.64 0.00 -0.45 0.00 0.00 34.95 32.02 2d86 s ARG 96 CO 0.35 -1.83 1.92 0.87 -0.68 0.00 0.00 175.30 175.93 2d86 h LYS 97 N 10.18 0.00 -0.04 3.54 1.57 -1.96 0.29 116.57 130.15 2d86 h LYS 97 Ca -0.26 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 2d86 h LYS 97 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2d86 h LYS 97 CO 1.19 0.00 -0.44 1.03 -0.57 0.00 0.00 179.45 180.66 2d86 h SER 98 N 0.00 0.10 0.39 0.86 0.87 -2.02 -2.99 113.55 110.77 2d86 h SER 98 Ca 0.00 -0.04 -0.24 0.00 -1.23 0.00 0.00 61.79 60.28 2d86 h SER 98 Cb 0.65 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2d86 h SER 98 CO 0.00 0.53 -1.01 1.05 -0.53 0.00 0.00 176.83 176.88 2d86 h GLU 99 N 0.08 0.38 -6.57 2.24 4.11 -0.81 -3.46 114.58 110.55 2d86 h GLU 99 Ca 0.00 -0.45 -0.53 0.00 0.07 0.00 0.00 59.36 58.45 2d86 h GLU 99 Cb 0.81 0.14 0.22 0.00 0.50 0.00 0.00 28.75 30.43 2d86 h GLU 99 CO 0.06 1.13 -0.95 1.28 0.07 0.00 0.00 179.01 180.60 2d86 n LEU 100 N -3.70 -1.83 -4.94 3.06 4.77 -1.13 -4.74 117.00 108.49 2d86 n LEU 100 Ca -0.07 0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.94 2d86 n LEU 100 Cb 0.87 -1.07 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2d86 n LEU 100 CO 0.52 -4.23 0.18 0.72 -1.33 0.00 0.00 177.39 173.25 2d86 s PHE 101 N -2.28 3.50 1.37 -1.77 -0.71 -1.26 -5.05 117.98 111.77 2d86 s PHE 101 Ca 0.52 0.37 -0.22 0.00 -1.04 0.00 0.00 56.93 56.56 2d86 s PHE 101 Cb -0.20 -1.91 0.35 0.00 -1.21 0.00 0.00 43.02 40.05 2d86 s PHE 101 CO 0.71 0.11 0.99 -1.21 -1.34 0.00 0.00 175.22 174.49 2d86 s GLU 102 N -4.31 -2.52 -0.07 1.99 0.41 -1.26 -4.98 118.70 107.96 2d86 s GLU 102 Ca 0.40 -0.02 0.19 0.00 -0.41 0.00 0.00 54.97 55.13 2d86 s GLU 102 Cb -0.10 -1.44 -0.24 0.00 -1.78 0.00 0.00 34.13 30.57 2d86 s GLU 102 CO 0.36 -4.57 0.43 0.00 -0.49 0.00 0.00 175.26 170.99 2d86 n ALA 103 N -5.38 2.05 -0.08 5.21 0.00 -1.26 -4.42 120.51 116.63 2d86 n ALA 103 Ca 0.14 -0.84 -0.18 0.00 0.00 0.00 0.00 53.44 52.56 2d86 n ALA 103 Cb 0.60 -0.60 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 0.03 -0.93 0.00 3.57 -1.98 -3.13 116.94 114.50 2d86 h PHE 104 Ca -0.26 -0.02 0.32 0.00 3.53 0.00 0.00 57.97 61.54 2d86 h PHE 104 Cb 1.65 -0.00 -0.17 0.00 2.79 0.00 0.00 35.95 40.22 2d86 h PHE 104 CO 0.00 1.26 0.26 -0.40 -2.23 0.00 0.00 178.31 177.20 2d86 n ASP 105 N -4.49 0.11 -0.03 0.41 5.75 -1.26 -0.13 116.55 116.91 2d86 n ASP 105 Ca -0.21 1.56 -0.12 0.00 -0.01 0.00 0.00 54.79 56.01 2d86 n ASP 105 Cb 0.60 -0.66 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 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 -0.04 0.10 -2.12 5.85 -1.77 0.62 115.31 117.95 2d86 h LEU 106 Ca 0.68 -0.68 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2d86 h LEU 106 Cb 1.62 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 2d86 h LEU 106 CO -0.80 0.71 -0.38 0.15 -0.34 0.00 0.00 178.44 177.78 2d86 h PHE 107 N -0.84 -1.10 0.00 1.25 3.57 -0.51 0.67 116.94 119.97 2d86 h PHE 107 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2d86 h PHE 107 Cb 0.71 0.47 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2d86 h PHE 107 CO 0.18 -0.43 0.00 -3.47 -2.23 0.00 0.00 178.31 172.35 2d86 n ASP 108 N -4.62 0.00 -4.08 0.41 -0.08 0.82 -4.86 116.55 104.14 2d86 n ASP 108 Ca -0.06 -0.97 -0.32 0.00 -1.51 0.00 0.00 54.79 51.93 2d86 n ASP 108 Cb 0.30 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.74 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 -0.82 -1.91 0.25 5.18 0.31 0.23 -4.89 118.33 116.68 2d86 n VAL 109 Ca 0.11 -0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 2d86 n VAL 109 Cb 0.05 -2.22 -0.05 0.00 -0.91 0.00 0.00 33.84 30.71 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 -1.71 -0.65 -3.25 5.55 3.08 -0.02 -3.43 114.38 113.96 2d86 h ARG 110 Ca -0.60 0.04 -0.58 0.00 0.07 0.00 0.00 59.98 58.91 2d86 h ARG 110 Cb 1.38 0.15 -0.40 0.00 0.08 0.00 0.00 29.97 31.18 2d86 h ARG 110 CO 0.71 -0.44 -0.77 -0.51 -1.07 0.00 0.00 179.97 177.90 2d86 s ASP 111 N -4.49 3.79 0.18 7.04 1.01 -1.22 -4.98 116.67 117.98 2d86 s ASP 111 Ca -0.10 -1.81 -0.07 0.00 0.71 0.00 0.00 52.55 51.29 2d86 s ASP 111 Cb 0.01 -0.77 0.07 0.00 1.01 0.00 0.00 42.92 43.24 2d86 s ASP 111 CO 0.30 -0.38 1.54 0.15 0.21 0.00 0.00 175.17 176.98 2d86 h PHE 112 N 7.80 0.96 -0.84 4.23 3.57 -1.83 -3.18 116.94 127.66 2d86 h PHE 112 Ca -0.10 -0.27 0.21 0.00 3.53 0.00 0.00 57.97 61.34 2d86 h PHE 112 Cb 0.99 -0.21 -0.14 0.00 2.79 0.00 0.00 35.95 39.39 2d86 h PHE 112 CO 0.38 1.05 0.16 0.78 -2.23 0.00 0.00 178.31 178.44 2d86 h GLY 113 N 0.90 1.19 1.21 2.40 0.00 -1.98 0.72 103.07 107.50 2d86 h GLY 113 Ca 0.07 0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.52 2d86 h GLY 113 CO 0.08 -0.34 0.30 0.50 0.00 0.00 0.00 176.54 177.08 2d86 h LYS 114 N 0.18 0.09 0.08 4.80 1.57 -1.99 -0.94 116.57 120.35 2d86 h LYS 114 Ca 0.51 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 59.00 2d86 h LYS 114 Cb 0.98 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.29 2d86 h LYS 114 CO -0.66 0.06 -1.17 0.28 -0.57 0.00 0.00 179.45 177.39 2d86 h VAL 115 N 0.09 1.32 -0.47 0.50 2.07 0.28 -3.27 116.25 116.76 2d86 h VAL 115 Ca 0.20 -2.48 -0.06 0.00 0.82 0.00 0.00 66.70 65.18 2d86 h VAL 115 Cb 0.67 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 2d86 h VAL 115 CO -0.02 0.75 0.06 0.40 0.02 0.00 0.00 177.57 178.78 2d86 h ILE 116 N 0.27 1.22 -0.05 4.57 2.04 -0.33 -3.02 117.51 122.22 2d86 h ILE 116 Ca -0.16 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 64.87 2d86 h ILE 116 Cb 1.83 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.68 2d86 h ILE 116 CO 0.22 0.31 -0.11 -0.08 0.00 0.00 0.00 178.15 178.49 2d86 h GLU 117 N 0.71 -0.15 -0.77 2.37 4.81 -1.34 -2.58 114.58 117.64 2d86 h GLU 117 Ca 0.15 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.54 2d86 h GLU 117 Cb 0.35 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 29.62 2d86 h GLU 117 CO 0.01 -0.10 -0.21 1.15 -0.73 0.00 0.00 179.01 179.12 2d86 h THR 118 N -0.16 0.21 0.28 0.32 2.02 -1.59 -0.83 112.91 113.16 2d86 h THR 118 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2d86 h THR 118 Cb 0.24 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 2d86 h THR 118 CO -0.15 0.00 -0.33 -0.07 0.37 0.00 0.00 175.52 175.35 2d86 h LEU 119 N -0.01 -0.90 -0.99 2.58 3.38 -1.52 -0.02 115.31 117.82 2d86 h LEU 119 Ca 0.36 0.08 0.36 0.00 0.09 0.00 0.00 57.88 58.78 2d86 h LEU 119 Cb 0.57 0.31 -0.17 0.00 0.09 0.00 0.00 40.66 41.46 2d86 h LEU 119 CO -0.79 -0.45 0.41 -1.28 0.09 0.00 0.00 178.44 176.42 2d86 h SER 120 N -0.65 0.15 0.01 -0.43 0.87 -0.84 0.20 113.55 112.85 2d86 h SER 120 Ca -0.01 0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2d86 h SER 120 Cb 0.61 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2d86 h SER 120 CO -0.09 -0.36 -0.00 0.03 -0.53 0.00 0.00 176.83 175.88 2d86 h ARG 121 N 0.06 -0.01 -0.89 2.24 3.08 -0.96 -3.31 114.38 114.59 2d86 h ARG 121 Ca 0.76 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.99 2d86 h ARG 121 Cb 1.87 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.75 2d86 h ARG 121 CO -0.77 0.72 -0.20 1.25 -1.07 0.00 0.00 179.97 179.90 2d86 h LEU 122 N -0.76 -0.79 -0.99 3.04 5.85 0.13 0.38 115.31 122.17 2d86 h LEU 122 Ca -0.00 0.27 0.32 0.00 0.84 0.00 0.00 57.88 59.30 2d86 h LEU 122 Cb 0.74 0.54 -0.18 0.00 0.37 0.00 0.00 40.66 42.13 2d86 h LEU 122 CO 0.00 -0.29 0.21 0.77 -0.34 0.00 0.00 178.44 178.79 2d86 h SER 123 N 0.00 -0.17 -0.94 1.25 4.64 -1.39 0.72 113.55 117.67 2d86 h SER 123 Ca 0.44 0.27 0.27 0.00 -0.47 0.00 0.00 61.79 62.30 2d86 h SER 123 Cb 0.69 0.40 -0.14 0.00 -0.31 0.00 0.00 62.40 63.03 2d86 h SER 123 CO -0.91 -0.36 0.39 0.08 -0.87 0.00 0.00 176.83 175.16 2d86 h ARG 124 N 0.03 0.26 -6.18 4.77 0.11 -0.40 -3.25 114.38 109.73 2d86 h ARG 124 Ca 0.68 -0.02 -0.62 0.00 0.10 0.00 0.00 59.98 60.13 2d86 h ARG 124 Cb 1.55 -0.06 0.15 0.00 1.11 0.00 0.00 29.97 32.72 2d86 h ARG 124 CO -0.85 0.17 -0.64 0.25 0.10 0.00 0.00 179.97 179.00 2d86 n THR 125 N -5.14 1.31 0.98 0.08 -2.24 0.25 -4.78 114.28 104.74 2d86 n THR 125 Ca 0.26 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.62 2d86 n THR 125 Cb 0.82 -0.29 0.45 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.92 0.49 -0.06 -0.78 -0.04 -1.26 -2.65 135.00 131.61 2d86 n PRO 126 Ca 0.12 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 2d86 n PRO 126 Cb 0.39 -1.49 -0.13 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 -0.99 1.63 -0.03 0.52 -0.00 -1.26 -3.51 119.36 115.73 2d86 n ILE 127 Ca 0.11 -0.62 -0.13 0.00 -0.00 0.00 0.00 62.75 62.11 2d86 n ILE 127 Cb 0.05 -1.55 -0.10 0.00 -0.00 0.00 0.00 39.64 38.05 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 0.08 0.06 -0.46 -1.39 0.00 -1.70 -3.24 119.26 112.62 2d86 h ALA 128 Ca -0.50 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.03 2d86 h ALA 128 Cb 1.98 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 2d86 h ALA 128 CO 0.00 -0.08 0.07 -0.07 0.00 0.00 0.00 179.25 179.17 2d86 h LEU 129 N -0.40 0.66 -0.85 0.00 3.38 -1.56 -3.02 115.31 113.52 2d86 h LEU 129 Ca 0.00 -0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.01 2d86 h LEU 129 Cb 0.67 -0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.09 2d86 h LEU 129 CO 0.02 0.69 -0.24 0.00 0.09 0.00 0.00 178.44 179.00 2d86 h ALA 130 N 1.39 0.48 -1.02 1.53 0.00 -1.59 0.87 119.26 120.93 2d86 h ALA 130 Ca 0.15 0.32 0.27 0.00 0.00 0.00 0.00 54.91 55.65 2d86 h ALA 130 Cb 0.32 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2d86 h ALA 130 CO 0.01 -0.44 0.70 1.79 0.00 0.00 0.00 179.25 181.30 2d86 h THR 131 N -0.01 0.53 0.00 0.00 1.35 -1.63 -3.45 112.91 109.69 2d86 h THR 131 Ca 0.39 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 2d86 h THR 131 Cb 0.62 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 2d86 h THR 131 CO -0.88 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.04 2d86 n GLY 132 N -1.60 1.15 3.76 5.82 0.00 0.30 -5.09 105.19 109.53 2d86 n GLY 132 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 3.60 0.30 -0.61 1.01 -1.25 -4.99 121.20 117.25 2d86 s ILE 133 Ca 0.00 1.60 -0.29 0.00 0.00 0.00 0.00 60.65 61.95 2d86 s ILE 133 Cb 0.00 -4.01 -0.10 0.00 0.01 0.00 0.00 42.46 38.36 2d86 s ILE 133 CO 0.00 0.37 1.39 -0.13 0.00 0.00 0.00 174.94 176.57 2d86 s ARG 134 N -1.44 4.29 0.38 2.79 1.81 -1.26 -4.79 118.95 120.73 2d86 s ARG 134 Ca 0.44 2.29 -0.26 0.00 -1.72 0.00 0.00 55.73 56.49 2d86 s ARG 134 Cb -0.30 -3.08 -0.09 0.00 -0.45 0.00 0.00 34.95 31.03 2d86 s ARG 134 CO 0.39 -0.33 1.19 -1.25 -0.68 0.00 0.00 175.30 174.62 2d86 s PRO 135 N -1.17 4.12 -0.09 3.54 0.04 -1.26 -4.97 135.00 135.22 2d86 s PRO 135 Ca 0.54 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2d86 s PRO 135 Cb -0.41 -2.77 0.02 0.00 0.04 0.00 0.00 34.50 31.38 2d86 s PRO 135 CO 0.50 -0.28 -0.08 -0.59 0.04 0.00 0.00 177.00 176.59 2d86 s PHE 136 N -1.34 1.31 1.07 0.56 -0.71 -1.26 -5.15 117.98 112.46 2d86 s PHE 136 Ca 0.55 -0.57 -0.18 0.00 -1.04 0.00 0.00 56.93 55.69 2d86 s PHE 136 Cb -0.33 -1.08 0.27 0.00 -1.21 0.00 0.00 43.02 40.67 2d86 s PHE 136 CO 0.42 -0.40 0.95 -0.35 -1.34 0.00 0.00 175.22 174.50 2d86 n PRO 137 N 4.57 -2.89 -5.15 1.99 -0.04 -1.26 -4.62 135.00 127.60 2d86 n PRO 137 Ca -0.16 -1.52 -0.29 0.00 -0.04 0.00 0.00 63.50 61.49 2d86 n PRO 137 Cb 0.51 -1.43 -0.16 0.00 -0.04 0.00 0.00 33.50 32.38 2d86 n PRO 137 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d86 s SER 138 N -4.07 2.73 0.00 3.54 1.04 -1.26 -4.86 113.70 110.82 2d86 s SER 138 Ca 0.62 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.62 2d86 s SER 138 Cb -0.06 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.67 2d86 s SER 138 CO 0.47 0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.58 2d86 n GLY 139 N 2.61 1.57 0.00 7.32 0.00 -1.26 -4.59 105.19 110.83 2d86 n GLY 139 Ca -0.16 -1.98 0.08 0.00 0.00 0.00 0.00 46.02 43.96 2d86 n GLY 139 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d86 n PRO 140 N 1.98 0.45 -1.52 1.61 -0.04 -1.26 -4.71 135.00 131.50 2d86 n PRO 140 Ca 0.00 0.02 -0.51 0.00 -0.04 0.00 0.00 63.50 62.97 2d86 n PRO 140 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2d86 n PRO 140 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d86 n SER 141 N -1.04 0.43 -4.66 3.54 2.88 -1.26 -4.64 113.62 108.87 2d86 n SER 141 Ca 0.11 1.14 -0.38 0.00 -1.33 0.00 0.00 58.87 58.41 2d86 n SER 141 Cb 0.06 -1.09 0.05 0.00 -0.75 0.00 0.00 64.21 62.49 2d86 n SER 141 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2d86 n SER 142 N 1.87 1.51 0.00 -3.46 3.41 -1.26 -5.04 113.62 110.65 2d86 n SER 142 Ca 0.17 0.88 0.00 0.00 -0.26 0.00 0.00 58.87 59.65 2d86 n SER 142 Cb 0.21 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 2d86 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49