#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d86 n SER 2 N 0.00 0.51 -3.66 1.61 7.64 -1.26 -5.10 113.62 113.37 2d86 n SER 2 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2d86 n SER 2 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2d86 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d86 s SER 3 N -4.48 -0.79 0.35 6.43 0.01 -1.26 -5.15 113.70 108.81 2d86 s SER 3 Ca 0.00 1.31 -0.27 0.00 1.31 0.00 0.00 55.95 58.30 2d86 s SER 3 Cb 0.00 1.49 -0.09 0.00 0.21 0.00 0.00 66.02 67.63 2d86 s SER 3 CO 0.00 -0.22 1.13 -0.83 0.41 0.00 0.00 173.24 173.72 2d86 s GLY 4 N 2.09 2.93 -0.04 3.44 0.00 -1.26 -4.96 107.32 109.51 2d86 s GLY 4 Ca -0.07 0.91 -0.03 0.00 0.00 0.00 0.00 44.72 45.52 2d86 s GLY 4 CO -0.17 1.45 -0.07 -1.26 0.00 0.00 0.00 173.10 173.05 2d86 n SER 5 N 0.53 0.49 -4.51 1.64 2.88 -1.26 -5.00 113.62 108.39 2d86 n SER 5 Ca 0.02 0.08 -0.41 0.00 -1.33 0.00 0.00 58.87 57.23 2d86 n SER 5 Cb 0.46 -0.19 -0.08 0.00 -0.75 0.00 0.00 64.21 63.65 2d86 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2d86 n SER 6 N -3.30 -1.36 0.00 -3.46 3.41 -1.26 -4.79 113.62 102.86 2d86 n SER 6 Ca -0.10 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 2d86 n SER 6 Cb 0.52 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 2d86 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d86 n GLY 7 N -1.33 3.54 3.71 5.00 0.00 -1.26 -5.11 105.19 109.74 2d86 n GLY 7 Ca 0.04 -0.20 -0.63 0.00 0.00 0.00 0.00 46.02 45.23 2d86 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2d86 n MET 8 N -0.85 0.39 -0.98 1.61 0.00 -1.26 -4.87 117.12 111.16 2d86 n MET 8 Ca 0.00 0.14 -0.32 0.00 -0.00 0.00 0.00 57.70 57.52 2d86 n MET 8 Cb 0.00 -1.70 0.14 0.00 0.00 0.00 0.00 33.22 31.65 2d86 n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2d86 s GLU 9 N 2.73 1.46 0.33 2.12 0.41 -1.26 -4.90 118.70 119.59 2d86 s GLU 9 Ca 1.01 1.62 0.26 0.00 -0.41 0.00 0.00 54.97 57.45 2d86 s GLU 9 Cb -1.32 -1.77 1.09 0.00 -1.78 0.00 0.00 34.13 30.34 2d86 s GLU 9 CO 0.73 -2.32 1.78 -1.00 -0.49 0.00 0.00 175.26 173.96 2d86 h PRO 10 N -1.28 0.00 0.08 0.39 0.13 -2.02 -2.87 132.00 126.43 2d86 h PRO 10 Ca -0.45 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 2d86 h PRO 10 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2d86 h PRO 10 CO 0.45 0.00 -1.42 0.11 -0.23 0.00 0.00 178.00 176.91 2d86 h TRP 11 N 0.00 0.31 -0.64 1.56 5.08 -1.99 -3.08 115.95 117.19 2d86 h TRP 11 Ca 0.00 -0.22 0.11 0.00 1.08 0.00 0.00 58.89 59.86 2d86 h TRP 11 Cb 0.39 -0.01 -0.08 0.00 -3.00 0.00 0.00 29.16 26.45 2d86 h TRP 11 CO 0.00 1.25 0.19 0.87 -1.28 0.00 0.00 178.44 179.46 2d86 h LYS 12 N 0.05 0.32 -0.04 0.12 1.57 -1.87 -1.63 116.57 115.09 2d86 h LYS 12 Ca -0.19 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.36 2d86 h LYS 12 Cb 1.96 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 34.21 2d86 h LYS 12 CO 0.15 0.21 -0.81 -0.56 -0.57 0.00 0.00 179.45 177.87 2d86 h GLN 13 N 0.33 0.62 -0.73 3.15 3.07 -1.69 -3.28 115.11 116.57 2d86 h GLN 13 Ca 0.33 -0.61 0.16 0.00 0.09 0.00 0.00 58.65 58.63 2d86 h GLN 13 Cb 0.48 0.16 -0.12 0.00 0.08 0.00 0.00 27.48 28.08 2d86 h GLN 13 CO -0.38 1.22 0.09 0.00 0.09 0.00 0.00 178.83 179.84 2d86 h ALA 15 N 1.65 1.57 0.25 0.00 0.00 -1.39 -1.12 119.26 120.22 2d86 h ALA 15 Ca 0.41 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.61 2d86 h ALA 15 Cb 0.72 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2d86 h ALA 15 CO -0.58 -0.70 -0.16 1.96 0.00 0.00 0.00 179.25 179.76 2d86 h GLN 16 N 0.04 -0.38 -0.79 0.00 1.08 -1.11 -2.46 115.11 111.49 2d86 h GLN 16 Ca 0.69 0.03 0.17 0.00 -1.45 0.00 0.00 58.65 58.08 2d86 h GLN 16 Cb 1.60 0.09 -0.15 0.00 -0.05 0.00 0.00 27.48 28.96 2d86 h GLN 16 CO -0.83 -0.25 -0.16 1.87 -0.95 0.00 0.00 178.83 178.51 2d86 n TRP 17 N -3.27 0.32 0.07 2.96 -0.00 -0.46 0.77 117.44 117.83 2d86 n TRP 17 Ca -0.05 0.96 -0.11 0.00 -0.00 0.00 0.00 57.50 58.30 2d86 n TRP 17 Cb 0.16 -0.98 -0.05 0.00 -0.00 0.00 0.00 31.31 30.45 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 -0.69 -0.87 5.87 3.38 -1.28 0.57 115.31 122.28 2d86 h LEU 18 Ca 0.40 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.59 2d86 h LEU 18 Cb 0.65 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 2d86 h LEU 18 CO -0.80 -0.31 0.48 0.40 0.09 0.00 0.00 178.44 178.30 2d86 h ILE 19 N -0.38 0.80 -0.03 1.22 2.04 0.84 -0.13 117.51 121.87 2d86 h ILE 19 Ca 0.06 -0.25 -0.15 0.00 1.00 0.00 0.00 64.86 65.51 2d86 h ILE 19 Cb 0.45 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2d86 h ILE 19 CO -0.20 0.13 -0.68 0.45 0.00 0.00 0.00 178.15 177.85 2d86 h HIS 20 N 0.73 0.22 0.00 1.37 3.86 -0.48 -2.82 115.15 118.03 2d86 h HIS 20 Ca 0.45 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2d86 h HIS 20 Cb 0.56 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.00 2d86 h HIS 20 CO -0.07 0.79 0.00 0.00 0.86 0.00 0.00 177.93 179.51 2d86 n LYS 22 N -0.90 -5.25 0.00 0.00 4.76 -0.96 -4.79 118.16 111.02 2d86 n LYS 22 Ca 0.12 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 2d86 n LYS 22 Cb 0.06 -4.96 0.00 0.00 -1.84 0.00 0.00 35.03 28.28 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 -3.72 0.00 -4.11 -0.18 0.24 -0.91 -4.96 118.33 104.70 2d86 n VAL 23 Ca -0.12 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.03 2d86 n VAL 23 Cb 0.59 -0.28 -0.12 0.00 -1.47 0.00 0.00 33.84 32.56 2d86 n VAL 23 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2d86 s LEU 24 N -3.19 2.23 0.94 1.34 1.43 -1.24 -4.97 118.68 115.23 2d86 s LEU 24 Ca 0.00 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 2d86 s LEU 24 Cb 0.00 -0.26 0.15 0.00 0.03 0.00 0.00 46.19 46.12 2d86 s LEU 24 CO 0.00 -0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.37 2d86 s PRO 25 N -1.45 0.89 0.22 1.29 0.04 -1.26 -4.25 135.00 130.48 2d86 s PRO 25 Ca -0.07 0.69 0.08 0.00 0.04 0.00 0.00 61.00 61.74 2d86 s PRO 25 Cb -0.09 -1.78 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2d86 s PRO 25 CO 0.01 -2.46 1.50 1.79 0.04 0.00 0.00 177.00 177.88 2d86 h THR 26 N -1.70 1.50 -0.56 1.26 1.35 -2.02 -3.14 112.91 109.61 2d86 h THR 26 Ca -0.52 -2.44 -0.22 0.00 -0.55 0.00 0.00 66.41 62.68 2d86 h THR 26 Cb 1.30 2.32 -0.13 0.00 -1.73 0.00 0.00 68.15 69.91 2d86 h THR 26 CO 0.56 0.70 0.17 0.59 -0.25 0.00 0.00 175.52 177.29 2d86 n ASN 27 N -3.70 3.65 -3.32 5.36 4.13 -1.26 -4.94 115.26 115.19 2d86 n ASN 27 Ca -0.02 -3.44 -0.11 0.00 1.68 0.00 0.00 54.58 52.69 2d86 n ASN 27 Cb 0.71 -0.69 0.11 0.00 -1.54 0.00 0.00 39.78 38.38 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 -0.74 -2.17 0.20 3.10 -0.00 -1.19 -4.92 115.22 109.52 2d86 n HIS 28 Ca 0.38 -0.09 0.11 0.00 0.46 0.00 0.00 57.72 58.58 2d86 n HIS 28 Cb 1.22 -0.91 -0.03 0.00 -0.12 0.00 0.00 29.99 30.16 2d86 n HIS 28 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 2d86 n ARG 29 N -1.58 0.53 0.09 1.57 0.00 -1.26 -4.08 116.66 111.93 2d86 n ARG 29 Ca 0.05 0.02 -0.08 0.00 -0.00 0.00 0.00 57.85 57.84 2d86 n ARG 29 Cb 0.23 -1.70 0.02 0.00 -0.00 0.00 0.00 32.46 31.01 2d86 n ARG 29 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2d86 h VAL 30 N 0.00 1.48 -0.45 8.89 -1.51 -1.95 -3.22 116.25 119.48 2d86 h VAL 30 Ca 0.00 -2.52 -0.09 0.00 -1.23 0.00 0.00 66.70 62.86 2d86 h VAL 30 Cb 0.93 2.39 -0.02 0.00 -2.13 0.00 0.00 31.29 32.46 2d86 h VAL 30 CO 0.00 0.74 -0.09 0.71 -1.23 0.00 0.00 177.57 177.70 2d86 h THR 31 N 0.11 1.26 -2.36 7.19 1.35 -1.93 -3.43 112.91 115.10 2d86 h THR 31 Ca -0.04 -1.15 -0.61 0.00 -0.55 0.00 0.00 66.41 64.07 2d86 h THR 31 Cb 1.44 1.00 0.08 0.00 -1.73 0.00 0.00 68.15 68.94 2d86 h THR 31 CO 0.13 0.39 0.45 0.79 -0.25 0.00 0.00 175.52 177.04 2d86 n TRP 32 N -4.17 1.77 -0.32 4.73 7.02 -1.22 -4.84 117.44 120.42 2d86 n TRP 32 Ca 0.02 0.54 0.15 0.00 -1.02 0.00 0.00 57.50 57.19 2d86 n TRP 32 Cb 0.36 -2.38 0.39 0.00 -2.42 0.00 0.00 31.31 27.26 2d86 n TRP 32 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 2d86 h ASP 33 N 3.80 0.66 -0.70 -0.99 3.58 -1.89 0.00 116.42 120.87 2d86 h ASP 33 Ca -0.44 0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.11 2d86 h ASP 33 Cb 1.31 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.27 2d86 h ASP 33 CO 0.73 0.25 0.44 0.28 -2.88 0.00 0.00 179.24 178.05 2d86 h SER 34 N 0.65 0.72 -2.20 2.28 0.02 -1.91 -3.44 113.55 109.67 2d86 h SER 34 Ca 0.54 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.96 2d86 h SER 34 Cb 0.99 -0.15 0.24 0.00 0.14 0.00 0.00 62.40 63.61 2d86 h SER 34 CO -0.30 0.50 -1.64 0.00 -1.14 0.00 0.00 176.83 174.24 2d86 n ALA 35 N -2.31 -4.79 -2.93 3.77 0.00 -0.01 -5.02 120.51 109.21 2d86 n ALA 35 Ca 0.08 -0.82 -0.10 0.00 0.00 0.00 0.00 53.44 52.60 2d86 n ALA 35 Cb 0.09 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.49 1.08 0.19 0.00 -0.21 -1.26 -5.00 119.66 111.98 2d86 s GLN 36 Ca 0.44 -0.84 -0.04 0.00 0.02 0.00 0.00 55.36 54.94 2d86 s GLN 36 Cb -0.14 0.44 0.34 0.00 1.00 0.00 0.00 33.01 34.65 2d86 s GLN 36 CO 0.76 -0.41 1.06 1.33 -2.12 0.00 0.00 175.29 175.90 2d86 n VAL 37 N -0.21 -0.29 -0.00 1.09 0.24 -1.26 0.52 118.33 118.42 2d86 n VAL 37 Ca -0.14 1.55 -0.14 0.00 -2.04 0.00 0.00 64.34 63.56 2d86 n VAL 37 Cb 0.63 -2.16 -0.09 0.00 -1.47 0.00 0.00 33.84 30.76 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 -1.48 -0.77 6.34 3.04 -1.96 0.29 116.94 122.39 2d86 h PHE 38 Ca 0.34 0.06 0.08 0.00 3.98 0.00 0.00 57.97 62.42 2d86 h PHE 38 Cb 0.55 0.66 -0.11 0.00 2.56 0.00 0.00 35.95 39.61 2d86 h PHE 38 CO -0.50 -0.53 -0.56 -0.44 -2.02 0.00 0.00 178.31 174.26 2d86 h ASP 39 N -0.56 -2.00 0.18 0.41 3.32 -0.33 1.09 116.42 118.52 2d86 h ASP 39 Ca 0.05 0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 2d86 h ASP 39 Cb 0.67 0.87 -0.00 0.00 0.22 0.00 0.00 39.33 41.09 2d86 h ASP 39 CO -0.42 -0.30 -0.06 0.25 -1.72 0.00 0.00 179.24 176.99 2d86 h LEU 40 N -0.15 0.00 0.00 1.55 5.85 -1.28 -0.63 115.31 120.65 2d86 h LEU 40 Ca 0.14 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2d86 h LEU 40 Cb 0.49 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2d86 h LEU 40 CO -0.81 0.06 -0.12 0.00 -0.34 0.00 0.00 178.44 177.23 2d86 h ALA 41 N 1.94 0.93 0.00 1.25 0.00 0.46 -3.29 119.26 120.55 2d86 h ALA 41 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2d86 h ALA 41 Cb 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2d86 h ALA 41 CO 0.01 0.08 -0.16 1.96 0.00 0.00 0.00 179.25 181.15 2d86 h GLN 42 N 0.00 0.00 -0.50 0.00 4.20 0.18 0.64 115.11 119.63 2d86 h GLN 42 Ca -0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 2d86 h GLN 42 Cb 1.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 2d86 h GLN 42 CO 0.01 0.64 0.60 0.00 -0.67 0.00 0.00 178.83 179.40 2d86 h THR 43 N -1.00 0.26 0.00 -0.54 1.03 -1.57 0.60 112.91 111.69 2d86 h THR 43 Ca -0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.02 2d86 h THR 43 Cb 0.70 0.51 -0.06 0.00 -1.07 0.00 0.00 68.15 68.22 2d86 h THR 43 CO -0.02 0.00 -2.29 0.18 -0.01 0.00 0.00 175.52 173.38 2d86 n LEU 44 N -3.53 0.52 -0.30 0.00 4.77 -1.24 -4.49 117.00 112.73 2d86 n LEU 44 Ca 0.10 -0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.20 2d86 n LEU 44 Cb 0.79 0.24 0.28 0.00 -2.33 0.00 0.00 43.42 42.40 2d86 n LEU 44 CO 0.25 0.54 0.71 -1.14 -1.33 0.00 0.00 177.39 176.42 2d86 n ARG 45 N -2.78 -0.07 -0.07 3.23 0.63 0.22 0.11 116.66 117.93 2d86 n ARG 45 Ca -0.32 1.28 -0.07 0.00 -0.92 0.00 0.00 57.85 57.82 2d86 n ARG 45 Cb 1.08 -2.06 -0.01 0.00 0.45 0.00 0.00 32.46 31.92 2d86 n ARG 45 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 2d86 h ASP 46 N 0.00 -0.30 0.00 6.15 2.03 -1.78 -3.42 116.42 119.10 2d86 h ASP 46 Ca 0.55 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.94 2d86 h ASP 46 Cb 1.18 0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 2d86 h ASP 46 CO -0.79 -0.11 0.00 0.61 -1.03 0.00 0.00 179.24 177.92 2d86 n GLY 47 N -1.26 1.70 0.11 7.15 0.00 0.31 -4.37 105.19 108.82 2d86 n GLY 47 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.26 1.30 -0.07 1.61 0.31 -1.26 -4.39 118.33 114.56 2d86 n VAL 48 Ca 0.00 -0.62 -0.16 0.00 -0.01 0.00 0.00 64.34 63.55 2d86 n VAL 48 Cb 0.00 -0.99 -0.13 0.00 -0.91 0.00 0.00 33.84 31.81 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 0.02 -0.87 7.52 5.85 -1.87 -3.33 115.31 122.62 2d86 h LEU 49 Ca -0.51 -0.88 0.15 0.00 0.84 0.00 0.00 57.88 57.48 2d86 h LEU 49 Cb 1.93 -0.01 -0.15 0.00 0.37 0.00 0.00 40.66 42.81 2d86 h LEU 49 CO -0.04 1.14 -0.30 0.18 -0.34 0.00 0.00 178.44 179.08 2d86 n LEU 50 N -4.54 -0.49 -0.29 2.25 4.77 -1.26 0.16 117.00 117.61 2d86 n LEU 50 Ca -0.15 1.51 0.02 0.00 -0.03 0.00 0.00 56.01 57.36 2d86 n LEU 50 Cb 0.54 -0.38 0.16 0.00 -2.33 0.00 0.00 43.42 41.41 2d86 n LEU 50 CO 0.31 -1.39 1.14 0.00 -1.33 0.00 0.00 177.39 176.12 2d86 h GLN 52 N 0.78 -0.04 -0.36 0.00 4.20 0.15 -2.75 115.11 117.09 2d86 h GLN 52 Ca 0.39 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.13 2d86 h GLN 52 Cb 0.34 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 2d86 h GLN 52 CO -0.24 -0.03 -0.21 -0.11 -0.67 0.00 0.00 178.83 177.57 2d86 n LEU 53 N -5.27 -0.38 -0.21 1.46 7.94 -0.84 0.43 117.00 120.12 2d86 n LEU 53 Ca -0.00 1.09 0.02 0.00 -1.11 0.00 0.00 56.01 56.00 2d86 n LEU 53 Cb 0.19 -0.31 0.13 0.00 0.53 0.00 0.00 43.42 43.96 2d86 n LEU 53 CO 0.19 -0.75 0.96 -0.07 -1.11 0.00 0.00 177.39 176.62 2d86 h LEU 54 N 0.00 0.12 -1.94 -1.96 3.38 -1.60 0.19 115.31 113.49 2d86 h LEU 54 Ca 0.06 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.24 2d86 h LEU 54 Cb 0.15 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2d86 h LEU 54 CO -0.34 0.06 0.30 0.78 0.09 0.00 0.00 178.44 179.33 2d86 h ASN 55 N 0.34 0.06 -0.02 -0.43 2.35 0.26 0.20 115.58 118.34 2d86 h ASN 55 Ca 0.34 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.93 2d86 h ASN 55 Cb 0.49 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.86 2d86 h ASN 55 CO -0.38 0.03 -0.63 0.78 -1.65 0.00 0.00 177.43 175.57 2d86 h ASN 56 N 0.06 0.59 0.33 5.81 2.35 0.24 -3.36 115.58 121.61 2d86 h ASN 56 Ca 0.20 -0.74 -0.02 0.00 -0.55 0.00 0.00 56.30 55.20 2d86 h ASN 56 Cb 0.72 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2d86 h ASN 56 CO -0.01 1.25 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.78 2d86 h LEU 57 N -0.01 -0.38 -9.36 1.61 3.38 -0.42 -3.46 115.31 106.68 2d86 h LEU 57 Ca -0.07 -0.17 -0.60 0.00 0.09 0.00 0.00 57.88 57.13 2d86 h LEU 57 Cb 1.33 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 42.05 2d86 h LEU 57 CO 0.13 0.04 -0.71 -0.60 0.09 0.00 0.00 178.44 177.38 2d86 s ARG 58 N -4.25 2.03 0.14 1.13 3.52 0.61 -4.89 118.95 117.24 2d86 s ARG 58 Ca -0.13 -1.44 -0.13 0.00 -0.13 0.00 0.00 55.73 53.89 2d86 s ARG 58 Cb 0.02 -2.06 -0.07 0.00 -1.56 0.00 0.00 34.95 31.28 2d86 s ARG 58 CO 0.48 0.39 0.52 0.00 -0.81 0.00 0.00 175.30 175.88 2d86 s ALA 59 N -2.09 3.60 -1.48 6.12 0.00 -1.26 -4.08 121.76 122.57 2d86 s ALA 59 Ca 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 2d86 s ALA 59 Cb -0.07 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.58 2d86 s ALA 59 CO 0.16 0.48 0.39 0.72 0.00 0.00 0.00 175.76 177.51 2d86 n HIS 60 N 0.77 -1.53 0.03 0.00 8.25 -1.26 -4.91 115.22 116.57 2d86 n HIS 60 Ca -0.05 0.33 -0.19 0.00 -0.26 0.00 0.00 57.72 57.55 2d86 n HIS 60 Cb 0.52 -4.05 -0.13 0.00 1.12 0.00 0.00 29.99 27.44 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 -0.89 0.48 -4.36 0.41 0.02 -1.87 -3.47 113.55 103.86 2d86 h SER 61 Ca -0.47 -0.88 -0.14 0.00 -0.84 0.00 0.00 61.79 59.45 2d86 h SER 61 Cb 1.33 -0.15 -0.23 0.00 0.14 0.00 0.00 62.40 63.49 2d86 h SER 61 CO 0.52 1.31 -0.37 -0.63 -1.14 0.00 0.00 176.83 176.53 2d86 s ILE 62 N -2.73 0.03 -0.41 3.27 1.01 -1.26 -4.75 121.20 116.35 2d86 s ILE 62 Ca -0.14 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.08 2d86 s ILE 62 Cb 0.02 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 42.04 2d86 s ILE 62 CO 0.82 -0.14 0.48 0.21 0.00 0.00 0.00 174.94 176.32 2d86 s ASN 63 N -0.54 6.23 0.27 3.58 2.47 -1.26 -4.93 114.94 120.77 2d86 s ASN 63 Ca -0.06 -0.51 -0.00 0.00 0.42 0.00 0.00 52.86 52.71 2d86 s ASN 63 Cb -0.04 -2.25 0.61 0.00 -1.45 0.00 0.00 41.25 38.13 2d86 s ASN 63 CO 0.02 -0.59 1.70 -0.07 -3.72 0.00 0.00 177.10 174.43 2d86 h LEU 64 N 9.17 0.21 -1.01 3.21 3.38 -2.00 0.22 115.31 128.49 2d86 h LEU 64 Ca -0.27 0.15 0.12 0.00 0.09 0.00 0.00 57.88 57.97 2d86 h LEU 64 Cb 1.11 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.93 2d86 h LEU 64 CO 0.81 -0.00 0.63 0.11 0.09 0.00 0.00 178.44 180.08 2d86 h LYS 65 N 0.36 0.97 0.00 1.13 1.79 -2.03 0.18 116.57 118.97 2d86 h LYS 65 Ca 0.50 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.88 2d86 h LYS 65 Cb 0.90 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2d86 h LYS 65 CO -0.52 0.64 -0.13 0.93 -1.08 0.00 0.00 179.45 179.30 2d86 h GLU 66 N 1.00 0.00 -5.61 3.15 5.08 -0.97 -3.42 114.58 113.81 2d86 h GLU 66 Ca 0.50 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 58.21 2d86 h GLU 66 Cb 0.49 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.57 2d86 h GLU 66 CO -0.26 0.13 -0.61 0.96 -1.00 0.00 0.00 179.01 178.23 2d86 s ILE 67 N -4.13 4.42 -1.04 3.13 -4.36 0.62 -5.00 121.20 114.85 2d86 s ILE 67 Ca -0.02 -0.19 -0.23 0.00 -0.26 0.00 0.00 60.65 59.95 2d86 s ILE 67 Cb 0.13 -2.92 -0.02 0.00 1.25 0.00 0.00 42.46 40.90 2d86 s ILE 67 CO 0.59 0.54 1.82 0.20 0.24 0.00 0.00 174.94 178.33 2d86 s ASN 68 N -0.27 5.58 0.39 4.36 0.01 -1.26 -4.80 114.94 118.96 2d86 s ASN 68 Ca 0.07 -1.27 0.21 0.00 -0.71 0.00 0.00 52.86 51.16 2d86 s ASN 68 Cb -0.12 -2.57 1.21 0.00 0.41 0.00 0.00 41.25 40.18 2d86 s ASN 68 CO 0.02 -2.40 1.68 -0.07 -1.51 0.00 0.00 177.10 174.82 2d86 h LEU 69 N 16.21 0.40 -7.19 0.60 3.38 -1.92 -2.93 115.31 123.86 2d86 h LEU 69 Ca 0.19 0.14 -0.63 0.00 0.09 0.00 0.00 57.88 57.67 2d86 h LEU 69 Cb 0.98 0.10 -0.41 0.00 0.09 0.00 0.00 40.66 41.41 2d86 h LEU 69 CO 1.29 -0.09 -0.57 -0.60 0.09 0.00 0.00 178.44 178.56 2d86 s ARG 70 N -5.49 2.36 0.55 1.13 3.52 -1.26 -4.91 118.95 114.85 2d86 s ARG 70 Ca -0.09 -3.13 0.34 0.00 -0.13 0.00 0.00 55.73 52.72 2d86 s ARG 70 Cb 0.29 -3.42 1.41 0.00 -1.56 0.00 0.00 34.95 31.66 2d86 s ARG 70 CO 0.80 -1.23 1.99 -1.00 -0.81 0.00 0.00 175.30 175.05 2d86 h PRO 71 N 5.75 0.00 -5.67 5.12 0.13 -1.91 -3.47 132.00 131.95 2d86 h PRO 71 Ca 0.08 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.81 2d86 h PRO 71 Cb 0.80 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.06 2d86 h PRO 71 CO 0.72 0.00 -0.67 1.04 -0.23 0.00 0.00 178.00 178.86 2d86 n GLN 72 N -3.06 -7.62 -3.55 0.86 6.02 -1.26 -2.08 117.38 106.69 2d86 n GLN 72 Ca 0.00 0.84 -0.22 0.00 -0.01 0.00 0.00 57.00 57.61 2d86 n GLN 72 Cb 0.29 -5.86 0.08 0.00 1.02 0.00 0.00 30.24 25.77 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 -4.89 -7.61 -3.43 -1.09 2.81 -1.26 -4.97 117.12 96.68 2d86 n MET 73 Ca -0.00 0.82 -0.39 0.00 -1.81 0.00 0.00 57.70 56.32 2d86 n MET 73 Cb 0.57 -5.82 -0.09 0.00 -0.71 0.00 0.00 33.22 27.16 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 -3.50 6.21 0.26 7.83 0.01 -0.89 -4.97 113.70 118.66 2d86 s SER 74 Ca 0.47 0.24 -0.04 0.00 1.31 0.00 0.00 55.95 57.93 2d86 s SER 74 Cb -0.21 -2.19 0.36 0.00 0.21 0.00 0.00 66.02 64.19 2d86 s SER 74 CO 0.72 -0.15 1.88 -0.61 0.41 0.00 0.00 173.24 175.49 2d86 h GLN 75 N 8.16 1.12 0.61 12.44 4.15 -1.93 0.26 115.11 139.92 2d86 h GLN 75 Ca -0.33 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.00 2d86 h GLN 75 Cb 1.17 -0.25 0.01 0.00 0.21 0.00 0.00 27.48 28.61 2d86 h GLN 75 CO 0.63 0.74 -0.29 0.74 -1.93 0.00 0.00 178.83 178.72 2d86 h PHE 76 N 1.16 -0.76 -0.37 3.99 -1.00 -1.97 -1.41 116.94 116.58 2d86 h PHE 76 Ca 0.40 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 61.22 2d86 h PHE 76 Cb 0.10 0.25 -0.05 0.00 3.61 0.00 0.00 35.95 39.87 2d86 h PHE 76 CO -0.01 -0.43 0.09 -0.07 -1.61 0.00 0.00 178.31 176.28 2d86 h LEU 77 N -1.12 0.05 0.39 1.54 3.38 -1.87 -1.39 115.31 116.29 2d86 h LEU 77 Ca -0.08 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2d86 h LEU 77 Cb 0.67 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2d86 h LEU 77 CO 0.14 0.07 -0.38 0.00 0.09 0.00 0.00 178.44 178.36 2d86 h LEU 79 N -0.77 -0.09 0.34 0.00 3.38 -1.13 -0.74 115.31 116.30 2d86 h LEU 79 Ca -0.05 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2d86 h LEU 79 Cb 0.66 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2d86 h LEU 79 CO -0.04 -0.13 -0.16 0.50 0.09 0.00 0.00 178.44 178.71 2d86 h LYS 80 N 0.20 -0.43 -0.38 1.13 3.11 -0.88 -2.94 116.57 116.38 2d86 h LYS 80 Ca 0.48 0.03 0.06 0.00 -2.81 0.00 0.00 60.65 58.40 2d86 h LYS 80 Cb 0.89 0.10 -0.08 0.00 -1.00 0.00 0.00 32.23 32.13 2d86 h LYS 80 CO -0.62 -0.24 -0.49 -0.91 -2.81 0.00 0.00 179.45 174.38 2d86 h ASN 81 N -0.52 -1.63 -0.80 4.20 2.35 0.76 -0.90 115.58 119.04 2d86 h ASN 81 Ca -0.05 0.23 0.16 0.00 -0.55 0.00 0.00 56.30 56.09 2d86 h ASN 81 Cb 0.39 0.68 -0.15 0.00 0.05 0.00 0.00 38.32 39.29 2d86 h ASN 81 CO 0.08 -0.40 -0.21 0.40 -1.65 0.00 0.00 177.43 175.65 2d86 h ILE 82 N -0.38 0.19 -0.74 2.81 2.04 -1.28 0.33 117.51 120.47 2d86 h ILE 82 Ca 0.10 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.10 2d86 h ILE 82 Cb 0.60 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.78 2d86 h ILE 82 CO -0.57 0.00 0.30 0.03 0.00 0.00 0.00 178.15 177.91 2d86 h ARG 83 N -0.01 0.44 -0.41 2.37 3.08 -0.99 -1.50 114.38 117.37 2d86 h ARG 83 Ca 0.38 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.48 2d86 h ARG 83 Cb 0.59 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 2d86 h ARG 83 CO -0.83 0.29 -0.11 1.15 -1.07 0.00 0.00 179.97 179.40 2d86 h THR 84 N 0.45 0.57 0.27 2.04 2.02 0.13 -1.77 112.91 116.63 2d86 h THR 84 Ca 0.40 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.57 2d86 h THR 84 Cb 0.58 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2d86 h THR 84 CO -0.38 0.00 -0.15 0.15 0.37 0.00 0.00 175.52 175.50 2d86 h PHE 85 N -0.01 -0.40 -1.12 3.16 3.57 -1.06 -2.50 116.94 118.58 2d86 h PHE 85 Ca 0.20 -0.01 0.41 0.00 3.53 0.00 0.00 57.97 62.10 2d86 h PHE 85 Cb 0.31 0.14 -0.14 0.00 2.79 0.00 0.00 35.95 39.05 2d86 h PHE 85 CO -0.37 -0.23 0.68 1.28 -2.23 0.00 0.00 178.31 177.44 2d86 n LEU 86 N -3.15 0.24 0.20 0.59 4.77 -0.93 0.66 117.00 119.38 2d86 n LEU 86 Ca -0.05 1.36 -0.15 0.00 -0.03 0.00 0.00 56.01 57.14 2d86 n LEU 86 Cb 0.16 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 2d86 n LEU 86 CO 0.11 -1.49 0.64 0.74 -1.33 0.00 0.00 177.39 176.06 2d86 h THR 87 N 0.00 0.65 -0.89 -5.08 2.02 -0.98 -3.02 112.91 105.61 2d86 h THR 87 Ca 0.79 -0.30 0.17 0.00 0.77 0.00 0.00 66.41 67.84 2d86 h THR 87 Cb 2.37 0.81 -0.10 0.00 -1.74 0.00 0.00 68.15 69.48 2d86 h THR 87 CO -0.53 0.06 0.46 0.00 0.37 0.00 0.00 175.52 175.88 2d86 h ALA 88 N -0.08 1.40 -0.20 6.16 0.00 0.65 0.31 119.26 127.50 2d86 h ALA 88 Ca -0.05 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2d86 h ALA 88 Cb 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2d86 h ALA 88 CO 0.08 -0.14 0.62 0.00 0.00 0.00 0.00 179.25 179.81 2d86 h GLU 91 N 0.00 0.00 -0.04 0.00 5.08 0.18 -2.89 114.58 116.91 2d86 h GLU 91 Ca -0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2d86 h GLU 91 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2d86 h GLU 91 CO 0.01 0.58 -0.13 1.15 -1.00 0.00 0.00 179.01 179.62 2d86 h THR 92 N -1.00 1.46 0.00 1.13 2.02 0.41 -3.41 112.91 113.52 2d86 h THR 92 Ca -0.07 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.56 2d86 h THR 92 Cb 0.71 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2d86 h THR 92 CO -0.04 0.42 -0.05 0.49 0.37 0.00 0.00 175.52 176.71 2d86 n PHE 93 N -4.64 0.04 0.00 3.16 3.01 -1.02 -5.06 117.46 112.95 2d86 n PHE 93 Ca -0.08 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.39 2d86 n PHE 93 Cb 0.38 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 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 1.63 0.69 3.94 1.37 0.00 -0.49 -4.92 105.19 107.41 2d86 n GLY 94 Ca -0.01 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 2d86 n GLY 94 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2d86 s MET 95 N -0.51 2.52 -0.11 1.61 0.23 -0.75 -4.94 119.30 117.35 2d86 s MET 95 Ca 0.00 -1.56 -0.29 0.00 -1.03 0.00 0.00 55.69 52.81 2d86 s MET 95 Cb 0.00 -2.47 -0.05 0.00 -1.53 0.00 0.00 34.83 30.77 2d86 s MET 95 CO 0.00 -0.39 1.81 1.03 -2.03 0.00 0.00 175.02 175.44 2d86 s ARG 96 N -4.30 3.88 0.20 3.16 0.52 -1.26 -4.69 118.95 116.46 2d86 s ARG 96 Ca 0.50 2.10 -0.10 0.00 -0.52 0.00 0.00 55.73 57.70 2d86 s ARG 96 Cb -0.05 -4.11 0.18 0.00 0.52 0.00 0.00 34.95 31.49 2d86 s ARG 96 CO 0.30 -1.22 1.84 0.87 0.02 0.00 0.00 175.30 177.11 2d86 h LYS 97 N 11.08 0.78 -1.10 3.54 1.57 -1.96 -1.78 116.57 128.70 2d86 h LYS 97 Ca -0.40 -0.05 0.30 0.00 -1.87 0.00 0.00 60.65 58.63 2d86 h LYS 97 Cb 1.19 -0.18 -0.08 0.00 0.08 0.00 0.00 32.23 33.24 2d86 h LYS 97 CO 0.97 0.52 0.73 0.66 -0.57 0.00 0.00 179.45 181.75 2d86 h SER 98 N 0.80 0.31 -0.42 0.86 4.64 -2.00 0.29 113.55 118.03 2d86 h SER 98 Ca 0.27 0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.58 2d86 h SER 98 Cb 0.04 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2d86 h SER 98 CO -0.11 0.04 -0.03 -0.33 -0.87 0.00 0.00 176.83 175.53 2d86 h GLU 99 N 0.26 0.77 -6.45 4.77 5.08 -1.71 -3.45 114.58 113.85 2d86 h GLU 99 Ca 0.60 -0.26 -0.47 0.00 -1.00 0.00 0.00 59.36 58.23 2d86 h GLU 99 Cb 1.78 -0.06 0.24 0.00 0.50 0.00 0.00 28.75 31.21 2d86 h GLU 99 CO -0.23 0.86 -1.60 1.28 -1.00 0.00 0.00 179.01 178.32 2d86 n LEU 100 N -4.38 -2.56 -5.02 1.33 4.77 0.10 -4.71 117.00 106.54 2d86 n LEU 100 Ca -0.00 -0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.72 2d86 n LEU 100 Cb 0.32 -0.82 0.07 0.00 -2.33 0.00 0.00 43.42 40.65 2d86 n LEU 100 CO 0.42 -3.04 0.39 0.72 -1.33 0.00 0.00 177.39 174.55 2d86 s PHE 101 N -2.16 1.71 0.06 -1.77 -0.12 -1.26 -5.03 117.98 109.40 2d86 s PHE 101 Ca 0.49 -0.50 -0.13 0.00 -0.05 0.00 0.00 56.93 56.74 2d86 s PHE 101 Cb -0.05 -2.51 -0.06 0.00 -0.63 0.00 0.00 43.02 39.76 2d86 s PHE 101 CO 0.67 -1.23 0.44 -1.21 -0.05 0.00 0.00 175.22 173.83 2d86 s GLU 102 N -4.79 3.89 0.13 1.99 8.01 -1.26 -5.01 118.70 121.66 2d86 s GLU 102 Ca 0.62 0.36 -0.29 0.00 0.01 0.00 0.00 54.97 55.68 2d86 s GLU 102 Cb -0.06 -3.09 -0.06 0.00 -4.31 0.00 0.00 34.13 26.61 2d86 s GLU 102 CO 0.40 0.60 1.59 0.00 0.01 0.00 0.00 175.26 177.86 2d86 h ALA 103 N 4.14 -0.57 0.35 5.21 0.00 -1.97 -2.69 119.26 123.72 2d86 h ALA 103 Ca -0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2d86 h ALA 103 Cb 1.21 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 2d86 h ALA 103 CO 0.64 -0.91 -0.21 0.35 0.00 0.00 0.00 179.25 179.13 2d86 h PHE 104 N -0.50 -0.54 -0.73 0.00 3.57 -1.96 -1.35 116.94 115.43 2d86 h PHE 104 Ca 0.07 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.82 2d86 h PHE 104 Cb 0.62 0.19 -0.13 0.00 2.79 0.00 0.00 35.95 39.41 2d86 h PHE 104 CO -0.45 -0.32 0.21 -3.47 -2.23 0.00 0.00 178.31 172.05 2d86 n ASP 105 N -5.33 0.09 0.05 0.41 -0.08 -1.04 0.12 116.55 110.76 2d86 n ASP 105 Ca -0.10 1.23 -0.20 0.00 -1.51 0.00 0.00 54.79 54.21 2d86 n ASP 105 Cb 0.24 -0.53 -0.15 0.00 2.34 0.00 0.00 41.12 43.03 2d86 n ASP 105 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2d86 h LEU 106 N 0.00 0.47 0.17 -2.67 5.85 -1.19 0.45 115.31 118.39 2d86 h LEU 106 Ca 0.54 -0.94 0.01 0.00 0.84 0.00 0.00 57.88 58.34 2d86 h LEU 106 Cb 1.29 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 2d86 h LEU 106 CO -0.63 1.44 -0.35 0.15 -0.34 0.00 0.00 178.44 178.71 2d86 h PHE 107 N -0.34 -0.97 -0.26 1.25 3.57 0.21 -1.13 116.94 119.26 2d86 h PHE 107 Ca -0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2d86 h PHE 107 Cb 1.68 0.40 0.00 0.00 2.79 0.00 0.00 35.95 40.83 2d86 h PHE 107 CO 0.18 -0.47 0.00 -0.25 -2.23 0.00 0.00 178.31 175.55 2d86 n ASP 108 N -5.44 2.92 -3.77 0.41 9.92 0.99 -4.88 116.55 116.69 2d86 n ASP 108 Ca -0.07 -2.36 -0.28 0.00 -0.53 0.00 0.00 54.79 51.55 2d86 n ASP 108 Cb 0.35 -0.53 -0.05 0.00 -0.64 0.00 0.00 41.12 40.24 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 0.30 0.00 0.18 2.53 0.31 -0.43 -4.81 118.33 116.42 2d86 n VAL 109 Ca 0.12 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.36 2d86 n VAL 109 Cb 0.62 -0.33 -0.05 0.00 -0.91 0.00 0.00 33.84 33.17 2d86 n VAL 109 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2d86 h ARG 110 N -0.57 -0.54 -2.90 5.55 3.08 -0.33 -3.39 114.38 115.28 2d86 h ARG 110 Ca -0.39 0.04 -0.61 0.00 0.07 0.00 0.00 59.98 59.09 2d86 h ARG 110 Cb 1.21 0.12 -0.40 0.00 0.08 0.00 0.00 29.97 30.98 2d86 h ARG 110 CO 0.59 -0.36 -0.76 -0.51 -1.07 0.00 0.00 179.97 177.86 2d86 s ASP 111 N -3.20 3.49 0.24 7.04 1.11 -1.22 -4.97 116.67 119.16 2d86 s ASP 111 Ca -0.09 -2.63 -0.06 0.00 0.18 0.00 0.00 52.55 49.95 2d86 s ASP 111 Cb 0.02 -0.94 0.26 0.00 1.07 0.00 0.00 42.92 43.33 2d86 s ASP 111 CO 0.30 -0.26 1.85 0.15 1.18 0.00 0.00 175.17 178.39 2d86 h PHE 112 N 6.66 1.17 -1.17 4.23 3.57 -1.82 -2.67 116.94 126.91 2d86 h PHE 112 Ca 0.02 -0.04 0.37 0.00 3.53 0.00 0.00 57.97 61.85 2d86 h PHE 112 Cb 0.93 -0.37 -0.13 0.00 2.79 0.00 0.00 35.95 39.17 2d86 h PHE 112 CO 0.47 0.83 0.73 0.78 -2.23 0.00 0.00 178.31 178.89 2d86 h GLY 113 N 1.19 1.54 1.32 2.40 0.00 -1.97 0.90 103.07 108.45 2d86 h GLY 113 Ca 0.29 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 2d86 h GLY 113 CO -0.04 -0.40 0.11 0.50 0.00 0.00 0.00 176.54 176.71 2d86 h LYS 114 N 0.19 0.85 -0.29 4.80 1.57 -1.91 -2.40 116.57 119.38 2d86 h LYS 114 Ca 0.76 -0.18 -0.18 0.00 -1.87 0.00 0.00 60.65 59.18 2d86 h LYS 114 Cb 2.13 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.32 2d86 h LYS 114 CO -0.47 0.77 -0.52 0.28 -0.57 0.00 0.00 179.45 178.95 2d86 h VAL 115 N 0.81 1.28 -0.20 0.50 2.07 0.67 -3.14 116.25 118.23 2d86 h VAL 115 Ca 0.17 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 66.01 2d86 h VAL 115 Cb 0.32 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2d86 h VAL 115 CO 0.00 0.55 0.08 0.40 0.02 0.00 0.00 177.57 178.62 2d86 h ILE 116 N 0.63 0.96 -0.41 4.57 2.04 -1.08 -2.78 117.51 121.45 2d86 h ILE 116 Ca 0.02 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.90 2d86 h ILE 116 Cb 1.12 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 2d86 h ILE 116 CO 0.12 0.03 -0.08 -0.08 0.00 0.00 0.00 178.15 178.14 2d86 h GLU 117 N 0.18 0.02 -0.94 2.37 4.81 -1.47 -1.90 114.58 117.66 2d86 h GLU 117 Ca 0.09 -0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.50 2d86 h GLU 117 Cb 0.05 -0.01 -0.18 0.00 0.63 0.00 0.00 28.75 29.24 2d86 h GLU 117 CO -0.08 0.02 -0.24 1.15 -0.73 0.00 0.00 179.01 179.12 2d86 h THR 118 N 0.03 0.06 -0.57 0.32 2.02 -1.44 0.52 112.91 113.84 2d86 h THR 118 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 2d86 h THR 118 Cb 0.30 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 2d86 h THR 118 CO -0.41 0.00 0.35 -0.07 0.37 0.00 0.00 175.52 175.77 2d86 h LEU 119 N -0.00 0.67 -0.90 2.58 3.38 -1.36 -0.17 115.31 119.51 2d86 h LEU 119 Ca 0.45 -0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.56 2d86 h LEU 119 Cb 0.68 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.15 2d86 h LEU 119 CO -0.97 0.52 0.45 -1.28 0.09 0.00 0.00 178.44 177.26 2d86 h SER 120 N 0.76 0.49 0.13 -0.43 0.87 0.27 0.15 113.55 115.79 2d86 h SER 120 Ca 0.20 0.12 -0.28 0.00 -1.23 0.00 0.00 61.79 60.61 2d86 h SER 120 Cb -0.04 0.06 0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2d86 h SER 120 CO -0.04 0.12 -1.19 0.03 -0.53 0.00 0.00 176.83 175.23 2d86 h ARG 121 N 0.54 0.57 -0.56 2.24 3.08 -0.94 -3.27 114.38 116.04 2d86 h ARG 121 Ca 0.53 -0.79 0.06 0.00 0.07 0.00 0.00 59.98 59.86 2d86 h ARG 121 Cb 0.91 0.27 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 2d86 h ARG 121 CO -0.45 1.36 0.37 1.25 -1.07 0.00 0.00 179.97 181.43 2d86 h LEU 122 N 0.16 0.46 -2.03 3.04 5.85 0.29 -0.43 115.31 122.65 2d86 h LEU 122 Ca -0.19 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2d86 h LEU 122 Cb 1.88 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 2d86 h LEU 122 CO 0.23 0.30 0.03 0.77 -0.34 0.00 0.00 178.44 179.43 2d86 h SER 123 N 0.52 0.00 -0.98 1.25 4.64 -0.82 -1.76 113.55 116.41 2d86 h SER 123 Ca 0.24 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.57 2d86 h SER 123 Cb 0.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 2d86 h SER 123 CO -0.07 0.00 0.64 0.03 -0.87 0.00 0.00 176.83 176.56 2d86 h ARG 124 N 0.00 1.29 -5.53 4.77 2.47 -1.20 -3.30 114.38 112.89 2d86 h ARG 124 Ca 0.02 -0.08 -0.56 0.00 -1.26 0.00 0.00 59.98 58.10 2d86 h ARG 124 Cb 0.08 -0.29 0.16 0.00 -1.65 0.00 0.00 29.97 28.28 2d86 h ARG 124 CO -0.00 0.86 -1.04 0.25 0.56 0.00 0.00 179.97 180.61 2d86 n THR 125 N -4.39 0.07 0.98 2.04 -2.24 -0.66 -4.71 114.28 105.36 2d86 n THR 125 Ca 0.11 -0.46 0.07 0.00 -2.27 0.00 0.00 64.05 61.50 2d86 n THR 125 Cb 0.02 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.36 0.49 -0.10 -0.78 -0.04 -1.26 -2.75 135.00 131.92 2d86 n PRO 126 Ca 0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 2d86 n PRO 126 Cb 0.42 -1.42 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.92 1.56 -0.15 0.52 -0.00 -1.26 -3.31 119.36 115.81 2d86 n ILE 127 Ca 0.10 -0.53 -0.11 0.00 -0.00 0.00 0.00 62.75 62.21 2d86 n ILE 127 Cb 0.05 -1.60 0.00 0.00 -0.00 0.00 0.00 39.64 38.09 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 -0.18 0.68 -0.01 -1.39 0.00 -1.72 -3.14 119.26 113.50 2d86 h ALA 128 Ca -0.55 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 53.73 2d86 h ALA 128 Cb 1.85 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2d86 h ALA 128 CO -0.11 0.68 -0.92 -0.07 0.00 0.00 0.00 179.25 178.82 2d86 h LEU 129 N 0.83 0.58 -0.88 0.00 3.38 -1.61 -3.26 115.31 114.35 2d86 h LEU 129 Ca 0.10 -0.45 0.23 0.00 0.09 0.00 0.00 57.88 57.85 2d86 h LEU 129 Cb 0.83 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.27 2d86 h LEU 129 CO 0.07 1.24 0.29 0.00 0.09 0.00 0.00 178.44 180.14 2d86 h ALA 130 N 0.72 1.33 -0.56 1.53 0.00 -1.54 0.41 119.26 121.16 2d86 h ALA 130 Ca -0.08 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2d86 h ALA 130 Cb 1.55 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 2d86 h ALA 130 CO 0.16 -0.44 0.13 1.79 0.00 0.00 0.00 179.25 180.90 2d86 h THR 131 N 0.26 1.23 0.00 0.00 1.35 -1.60 -3.47 112.91 110.68 2d86 h THR 131 Ca 0.56 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2d86 h THR 131 Cb 1.11 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2d86 h THR 131 CO -0.61 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 175.58 2d86 n GLY 132 N -0.84 1.36 3.80 5.82 0.00 0.14 -5.08 105.19 110.39 2d86 n GLY 132 Ca 0.04 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 4.50 -0.70 -0.61 1.01 -1.26 -4.88 121.20 117.27 2d86 s ILE 133 Ca 0.00 1.46 -0.17 0.00 0.00 0.00 0.00 60.65 61.93 2d86 s ILE 133 Cb 0.00 -3.98 -0.18 0.00 0.01 0.00 0.00 42.46 38.31 2d86 s ILE 133 CO 0.00 0.38 1.78 0.54 0.00 0.00 0.00 174.94 177.64 2d86 n ARG 134 N 1.19 0.00 -1.65 2.79 1.74 -1.26 -4.82 116.66 114.65 2d86 n ARG 134 Ca -0.05 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.71 2d86 n ARG 134 Cb 0.50 -0.95 0.06 0.00 -1.02 0.00 0.00 32.46 31.05 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 5.90 2.69 0.67 5.56 0.04 -1.26 -4.81 135.00 143.78 2d86 s PRO 135 Ca 0.94 1.34 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 2d86 s PRO 135 Cb -0.80 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 31.81 2d86 s PRO 135 CO 0.36 -1.33 1.15 -0.06 0.04 0.00 0.00 177.00 177.16 2d86 s PHE 136 N -2.46 2.43 0.40 0.56 0.40 -1.26 -4.99 117.98 113.07 2d86 s PHE 136 Ca 0.66 1.57 -0.25 0.00 -0.60 0.00 0.00 56.93 58.30 2d86 s PHE 136 Cb -0.20 -3.29 -0.08 0.00 0.51 0.00 0.00 43.02 39.96 2d86 s PHE 136 CO 0.44 -2.00 1.19 -1.25 0.70 0.00 0.00 175.22 174.31 2d86 s PRO 137 N -3.94 4.03 -0.14 0.24 0.04 -1.26 -4.99 135.00 128.98 2d86 s PRO 137 Ca 0.70 1.88 -0.19 0.00 0.04 0.00 0.00 61.00 63.43 2d86 s PRO 137 Cb -0.24 -2.68 -0.17 0.00 0.04 0.00 0.00 34.50 31.45 2d86 s PRO 137 CO 0.41 -0.35 0.44 0.66 0.04 0.00 0.00 177.00 178.20 2d86 h SER 138 N 2.62 0.00 -4.93 6.66 4.64 -1.98 -3.51 113.55 117.04 2d86 h SER 138 Ca -0.49 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.21 2d86 h SER 138 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2d86 h SER 138 CO 0.62 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 178.12 2d86 n GLY 139 N 1.63 1.86 0.00 -0.77 0.00 -1.26 -4.67 105.19 101.98 2d86 n GLY 139 Ca -0.10 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.18 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 1.72 0.29 -3.23 1.61 -0.04 -1.26 -4.75 135.00 129.34 2d86 n PRO 140 Ca 0.00 0.10 -0.32 0.00 -0.04 0.00 0.00 63.50 63.24 2d86 n PRO 140 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2d86 n PRO 140 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d86 s SER 141 N -2.41 6.71 -0.08 3.54 0.15 -1.26 -5.07 113.70 115.28 2d86 s SER 141 Ca 0.17 1.14 -0.13 0.00 0.70 0.00 0.00 55.95 57.83 2d86 s SER 141 Cb 0.10 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 2d86 s SER 141 CO 0.21 -0.17 0.31 -0.55 1.20 0.00 0.00 173.24 174.24 2d86 s SER 142 N -2.34 6.58 0.00 5.45 0.15 -1.26 -5.09 113.70 117.19 2d86 s SER 142 Ca 0.52 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.86 2d86 s SER 142 Cb -0.11 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2d86 s SER 142 CO 0.19 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.51