#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 6.36 0.12 1.61 1.04 -1.26 -4.98 113.70 116.59 2d86 s SER 2 Ca 0.00 0.86 -0.23 0.00 0.48 0.00 0.00 55.95 57.07 2d86 s SER 2 Cb 0.00 -2.21 -0.05 0.00 0.10 0.00 0.00 66.02 63.86 2d86 s SER 2 CO 0.00 -0.42 1.13 -0.24 0.98 0.00 0.00 173.24 174.69 2d86 n SER 3 N -1.72 -0.78 -4.09 7.02 2.88 -1.26 -4.77 113.62 110.91 2d86 n SER 3 Ca -0.00 1.31 -0.42 0.00 -1.33 0.00 0.00 58.87 58.42 2d86 n SER 3 Cb 0.55 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2d86 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d86 n GLY 4 N -1.18 -0.68 2.61 0.46 0.00 -1.26 -4.93 105.19 100.20 2d86 n GLY 4 Ca 0.01 0.29 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.73 2.49 -0.04 1.61 0.15 -1.26 -5.11 113.70 107.81 2d86 s SER 5 Ca 0.40 -0.69 -0.07 0.00 0.70 0.00 0.00 55.95 56.30 2d86 s SER 5 Cb -0.22 -0.27 0.01 0.00 -1.71 0.00 0.00 66.02 63.83 2d86 s SER 5 CO 0.91 -0.36 0.16 -0.94 1.20 0.00 0.00 173.24 174.21 2d86 s SER 6 N 2.12 -0.10 1.54 5.45 1.04 -1.26 -5.07 113.70 117.42 2d86 s SER 6 Ca 0.03 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2d86 s SER 6 Cb -0.16 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2d86 s SER 6 CO -0.12 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2d86 n GLY 7 N 2.40 2.55 2.79 7.32 0.00 -1.26 -4.29 105.19 114.70 2d86 n GLY 7 Ca -0.16 0.34 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 2d86 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2d86 s MET 8 N 0.00 0.14 0.83 1.61 -2.45 -1.26 -5.15 119.30 113.02 2d86 s MET 8 Ca 0.00 0.33 -0.13 0.00 -1.25 0.00 0.00 55.69 54.64 2d86 s MET 8 Cb 0.00 -0.91 0.09 0.00 1.25 0.00 0.00 34.83 35.26 2d86 s MET 8 CO 0.00 -0.53 1.20 0.39 1.05 0.00 0.00 175.02 177.12 2d86 n GLU 9 N 5.32 0.08 0.04 4.11 4.71 -1.26 -4.88 120.64 128.76 2d86 n GLU 9 Ca -0.05 0.11 0.08 0.00 -0.01 0.00 0.00 57.16 57.29 2d86 n GLU 9 Cb 0.50 -2.43 0.36 0.00 -1.01 0.00 0.00 31.44 28.85 2d86 n GLU 9 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2d86 n PRO 10 N -3.45 0.06 0.04 3.49 -0.04 -1.26 -2.72 135.00 131.13 2d86 n PRO 10 Ca 0.13 0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 63.71 2d86 n PRO 10 Cb 0.51 -1.62 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 2d86 n PRO 10 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2d86 h TRP 11 N 0.00 0.51 -0.57 0.54 5.08 -1.99 -3.16 115.95 116.36 2d86 h TRP 11 Ca 0.00 -0.37 0.11 0.00 1.08 0.00 0.00 58.89 59.71 2d86 h TRP 11 Cb 0.28 -0.02 -0.11 0.00 -3.00 0.00 0.00 29.16 26.31 2d86 h TRP 11 CO 0.00 1.58 -0.11 0.87 -1.28 0.00 0.00 178.44 179.49 2d86 h LYS 12 N 0.08 0.02 -0.19 0.12 1.57 -1.88 -1.50 116.57 114.80 2d86 h LYS 12 Ca -0.34 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.32 2d86 h LYS 12 Cb 2.05 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2d86 h LYS 12 CO 0.14 0.01 -0.35 -0.56 -0.57 0.00 0.00 179.45 178.12 2d86 h GLN 13 N 0.02 0.57 -0.80 3.15 3.07 -1.72 -3.25 115.11 116.14 2d86 h GLN 13 Ca 0.28 -0.36 0.16 0.00 0.09 0.00 0.00 58.65 58.81 2d86 h GLN 13 Cb 0.43 0.04 -0.15 0.00 0.08 0.00 0.00 27.48 27.88 2d86 h GLN 13 CO -0.56 0.97 -0.22 0.00 0.09 0.00 0.00 178.83 179.11 2d86 n ALA 15 N -3.33 0.65 0.14 0.00 0.00 -0.75 -0.97 120.51 116.26 2d86 n ALA 15 Ca 0.11 0.98 -0.07 0.00 0.00 0.00 0.00 53.44 54.46 2d86 n ALA 15 Cb 0.41 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.42 -0.95 0.00 1.08 -0.77 -2.17 115.11 111.89 2d86 h GLN 16 Ca 0.65 0.03 0.30 0.00 -1.45 0.00 0.00 58.65 58.17 2d86 h GLN 16 Cb 1.51 0.09 -0.18 0.00 -0.05 0.00 0.00 27.48 28.86 2d86 h GLN 16 CO -0.82 -0.28 0.14 1.87 -0.95 0.00 0.00 178.83 178.80 2d86 n TRP 17 N -3.48 0.73 0.15 2.96 -0.00 -0.14 0.30 117.44 117.97 2d86 n TRP 17 Ca -0.05 1.14 -0.14 0.00 -0.00 0.00 0.00 57.50 58.45 2d86 n TRP 17 Cb 0.19 -1.29 -0.07 0.00 -0.00 0.00 0.00 31.31 30.14 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 -0.56 -0.95 5.87 3.38 -1.12 0.48 115.31 122.40 2d86 h LEU 18 Ca 0.63 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.79 2d86 h LEU 18 Cb 1.43 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 42.28 2d86 h LEU 18 CO -0.85 -0.31 0.57 0.40 0.09 0.00 0.00 178.44 178.34 2d86 h ILE 19 N -0.46 0.84 -0.03 1.22 2.04 0.48 -0.26 117.51 121.35 2d86 h ILE 19 Ca -0.00 -0.29 -0.17 0.00 1.00 0.00 0.00 64.86 65.39 2d86 h ILE 19 Cb 0.43 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2d86 h ILE 19 CO -0.05 0.16 -0.75 0.45 0.00 0.00 0.00 178.15 177.96 2d86 h HIS 20 N 0.86 0.28 0.00 1.37 3.86 -0.77 -2.89 115.15 117.86 2d86 h HIS 20 Ca 0.50 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2d86 h HIS 20 Cb 0.59 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2d86 h HIS 20 CO -0.03 0.87 0.00 0.00 0.86 0.00 0.00 177.93 179.64 2d86 n LYS 22 N -1.03 -4.10 0.00 0.00 4.76 -0.97 -4.70 118.16 112.13 2d86 n LYS 22 Ca 0.13 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 56.09 2d86 n LYS 22 Cb 0.07 -4.55 0.00 0.00 -1.84 0.00 0.00 35.03 28.70 2d86 n LYS 22 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2d86 n VAL 23 N -2.99 0.00 -4.13 -0.18 0.24 -1.00 -4.92 118.33 105.36 2d86 n VAL 23 Ca -0.16 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.99 2d86 n VAL 23 Cb 0.60 -0.41 -0.11 0.00 -1.47 0.00 0.00 33.84 32.44 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 -2.93 2.31 0.86 1.34 1.43 -1.24 -4.98 118.68 115.47 2d86 s LEU 24 Ca 0.00 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.33 2d86 s LEU 24 Cb 0.00 -0.29 0.11 0.00 0.03 0.00 0.00 46.19 46.04 2d86 s LEU 24 CO 0.00 -0.20 1.09 -2.16 0.23 0.00 0.00 176.35 175.31 2d86 s PRO 25 N -2.06 1.51 0.30 1.29 0.04 -1.26 -4.33 135.00 130.48 2d86 s PRO 25 Ca -0.03 0.91 0.11 0.00 0.04 0.00 0.00 61.00 62.03 2d86 s PRO 25 Cb -0.07 -1.83 0.43 0.00 0.04 0.00 0.00 34.50 33.07 2d86 s PRO 25 CO 0.01 -2.09 1.65 1.79 0.04 0.00 0.00 177.00 178.40 2d86 h THR 26 N -1.44 1.38 -0.47 1.26 1.35 -2.02 -2.95 112.91 110.02 2d86 h THR 26 Ca -0.48 -1.95 -0.06 0.00 -0.55 0.00 0.00 66.41 63.37 2d86 h THR 26 Cb 1.27 2.06 -0.04 0.00 -1.73 0.00 0.00 68.15 69.71 2d86 h THR 26 CO 0.54 0.55 0.06 -3.20 -0.25 0.00 0.00 175.52 173.22 2d86 n ASN 27 N -3.83 4.55 -4.14 5.36 2.85 -1.26 -4.97 115.26 113.83 2d86 n ASN 27 Ca -0.01 -3.10 -0.33 0.00 -0.11 0.00 0.00 54.58 51.03 2d86 n ASN 27 Cb 0.58 -0.64 0.13 0.00 1.24 0.00 0.00 39.78 41.08 2d86 n ASN 27 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2d86 n HIS 28 N -0.15 -1.44 0.03 1.20 -0.00 -1.12 -4.91 115.22 108.83 2d86 n HIS 28 Ca 0.29 0.29 -0.19 0.00 0.46 0.00 0.00 57.72 58.57 2d86 n HIS 28 Cb 1.11 -1.49 -0.12 0.00 -0.12 0.00 0.00 29.99 29.37 2d86 n HIS 28 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2d86 h ARG 29 N -1.81 0.41 -0.89 1.57 0.11 -1.95 -3.25 114.38 108.56 2d86 h ARG 29 Ca -0.47 -0.52 0.25 0.00 0.10 0.00 0.00 59.98 59.34 2d86 h ARG 29 Cb 1.31 0.17 -0.04 0.00 1.11 0.00 0.00 29.97 32.52 2d86 h ARG 29 CO 0.31 1.19 0.63 -0.39 0.10 0.00 0.00 179.97 181.81 2d86 h VAL 30 N -0.13 0.58 -0.62 0.08 -1.51 -1.94 0.84 116.25 113.54 2d86 h VAL 30 Ca -0.11 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.30 2d86 h VAL 30 Cb 1.50 0.49 -0.03 0.00 -2.13 0.00 0.00 31.29 31.12 2d86 h VAL 30 CO 0.15 0.02 0.26 0.71 -1.23 0.00 0.00 177.57 177.47 2d86 h THR 31 N 0.08 1.23 -1.77 7.19 1.35 -1.91 -3.43 112.91 115.65 2d86 h THR 31 Ca 0.43 -0.70 -0.67 0.00 -0.55 0.00 0.00 66.41 64.92 2d86 h THR 31 Cb 1.58 0.53 0.05 0.00 -1.73 0.00 0.00 68.15 68.58 2d86 h THR 31 CO -0.05 0.28 0.59 0.79 -0.25 0.00 0.00 175.52 176.88 2d86 n TRP 32 N -4.46 1.73 -0.34 4.73 7.02 0.29 -4.82 117.44 121.60 2d86 n TRP 32 Ca 0.04 0.54 0.18 0.00 -1.02 0.00 0.00 57.50 57.25 2d86 n TRP 32 Cb 0.16 -2.39 0.41 0.00 -2.42 0.00 0.00 31.31 27.06 2d86 n TRP 32 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2d86 h ASP 33 N 5.28 0.63 -0.98 -0.99 3.32 -1.86 0.23 116.42 122.06 2d86 h ASP 33 Ca -0.47 0.12 0.08 0.00 0.02 0.00 0.00 57.03 56.78 2d86 h ASP 33 Cb 1.32 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.81 2d86 h ASP 33 CO 0.82 0.12 0.62 0.28 -1.72 0.00 0.00 179.24 179.37 2d86 h SER 34 N 0.56 0.96 -2.35 6.45 0.02 -1.91 -3.43 113.55 113.85 2d86 h SER 34 Ca 0.62 0.02 -0.51 0.00 -0.84 0.00 0.00 61.79 61.09 2d86 h SER 34 Cb 1.26 -0.17 0.23 0.00 0.14 0.00 0.00 62.40 63.85 2d86 h SER 34 CO -0.42 0.58 -1.44 0.00 -1.14 0.00 0.00 176.83 174.41 2d86 n ALA 35 N -2.36 -4.36 -2.87 3.77 0.00 0.80 -5.03 120.51 110.47 2d86 n ALA 35 Ca 0.16 -0.91 -0.10 0.00 0.00 0.00 0.00 53.44 52.59 2d86 n ALA 35 Cb 0.24 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.83 1.24 0.21 0.00 -0.21 -1.26 -5.02 119.66 111.80 2d86 s GLN 36 Ca 0.48 -1.13 -0.09 0.00 0.02 0.00 0.00 55.36 54.64 2d86 s GLN 36 Cb -0.13 0.41 0.32 0.00 1.00 0.00 0.00 33.01 34.61 2d86 s GLN 36 CO 0.72 -0.47 1.25 1.33 -2.12 0.00 0.00 175.29 175.99 2d86 n VAL 37 N -0.26 -0.36 -0.09 1.09 0.24 -1.26 -0.11 118.33 117.58 2d86 n VAL 37 Ca -0.07 1.85 -0.14 0.00 -2.04 0.00 0.00 64.34 63.94 2d86 n VAL 37 Cb 0.63 -2.53 -0.10 0.00 -1.47 0.00 0.00 33.84 30.37 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 -1.68 -0.98 6.34 3.04 -1.96 0.38 116.94 122.08 2d86 h PHE 38 Ca 0.35 0.08 0.09 0.00 3.98 0.00 0.00 57.97 62.47 2d86 h PHE 38 Cb 0.55 0.77 -0.12 0.00 2.56 0.00 0.00 35.95 39.72 2d86 h PHE 38 CO -0.65 -0.51 -0.59 -0.44 -2.02 0.00 0.00 178.31 174.10 2d86 h ASP 39 N -0.47 -2.16 0.21 0.41 5.19 -0.91 1.23 116.42 119.92 2d86 h ASP 39 Ca 0.06 0.33 -0.03 0.00 -0.62 0.00 0.00 57.03 56.77 2d86 h ASP 39 Cb 0.63 0.95 -0.00 0.00 0.18 0.00 0.00 39.33 41.09 2d86 h ASP 39 CO -0.54 -0.24 -0.12 0.25 -3.12 0.00 0.00 179.24 175.47 2d86 h LEU 40 N -0.01 0.00 -0.63 1.55 5.85 -1.26 -1.14 115.31 119.66 2d86 h LEU 40 Ca 0.16 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2d86 h LEU 40 Cb 0.42 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2d86 h LEU 40 CO -0.93 0.12 -0.11 0.00 -0.34 0.00 0.00 178.44 177.19 2d86 h ALA 41 N 1.88 0.96 0.00 1.25 0.00 0.55 -3.25 119.26 120.65 2d86 h ALA 41 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2d86 h ALA 41 Cb 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2d86 h ALA 41 CO 0.02 0.14 -0.14 1.96 0.00 0.00 0.00 179.25 181.22 2d86 h GLN 42 N 0.00 0.00 -0.34 0.00 4.20 0.13 0.37 115.11 119.47 2d86 h GLN 42 Ca -0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 2d86 h GLN 42 Cb 0.86 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2d86 h GLN 42 CO 0.01 0.43 0.65 0.00 -0.67 0.00 0.00 178.83 179.26 2d86 h THR 43 N -1.00 0.12 0.00 -0.54 1.03 -1.56 0.29 112.91 111.25 2d86 h THR 43 Ca -0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 66.41 66.09 2d86 h THR 43 Cb 0.50 0.42 -0.05 0.00 -1.07 0.00 0.00 68.15 67.94 2d86 h THR 43 CO -0.02 0.00 -2.09 0.18 -0.01 0.00 0.00 175.52 173.58 2d86 n LEU 44 N -3.17 0.00 -0.33 0.00 4.77 -1.23 -4.50 117.00 112.55 2d86 n LEU 44 Ca 0.06 0.00 0.27 0.00 -0.03 0.00 0.00 56.01 56.32 2d86 n LEU 44 Cb 0.79 0.39 0.51 0.00 -2.33 0.00 0.00 43.42 42.78 2d86 n LEU 44 CO 0.18 0.39 0.99 -0.09 -1.33 0.00 0.00 177.39 177.52 2d86 h ARG 45 N 0.00 0.00 -0.40 3.23 2.43 0.19 0.85 114.38 120.68 2d86 h ARG 45 Ca -0.42 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.78 2d86 h ARG 45 Cb 1.96 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.47 2d86 h ARG 45 CO 0.02 0.00 0.17 0.38 -1.51 0.00 0.00 179.97 179.03 2d86 h ASP 46 N 0.00 0.22 0.00 -3.80 2.03 -1.78 -3.42 116.42 109.67 2d86 h ASP 46 Ca 0.79 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 57.12 2d86 h ASP 46 Cb 1.99 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.48 2d86 h ASP 46 CO -0.81 0.17 0.00 0.61 -1.03 0.00 0.00 179.24 178.17 2d86 n GLY 47 N -1.22 0.90 0.10 7.15 0.00 0.30 -4.32 105.19 108.09 2d86 n GLY 47 Ca 0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2d86 n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d86 n VAL 48 N -2.18 1.45 0.03 1.61 0.31 -1.26 -4.27 118.33 114.02 2d86 n VAL 48 Ca 0.00 -0.81 -0.19 0.00 -0.01 0.00 0.00 64.34 63.33 2d86 n VAL 48 Cb 0.00 -0.70 -0.14 0.00 -0.91 0.00 0.00 33.84 32.09 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 0.38 -0.98 7.52 5.85 -1.87 -3.34 115.31 122.88 2d86 h LEU 49 Ca -0.50 -0.96 0.12 0.00 0.84 0.00 0.00 57.88 57.38 2d86 h LEU 49 Cb 2.16 -0.13 -0.14 0.00 0.37 0.00 0.00 40.66 42.93 2d86 h LEU 49 CO 0.03 1.32 -0.50 -0.07 -0.34 0.00 0.00 178.44 178.88 2d86 h LEU 50 N -0.48 -1.84 -0.86 2.25 3.38 -1.87 0.63 115.31 116.51 2d86 h LEU 50 Ca -0.12 0.32 0.18 0.00 0.09 0.00 0.00 57.88 58.35 2d86 h LEU 50 Cb 1.53 0.87 -0.11 0.00 0.09 0.00 0.00 40.66 43.04 2d86 h LEU 50 CO 0.12 -0.26 0.40 0.00 0.09 0.00 0.00 178.44 178.79 2d86 h GLN 52 N 0.50 0.41 -0.42 0.00 4.20 0.14 -2.16 115.11 117.77 2d86 h GLN 52 Ca 0.50 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.23 2d86 h GLN 52 Cb 0.84 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 2d86 h GLN 52 CO -0.45 0.27 -0.34 1.25 -0.67 0.00 0.00 178.83 178.90 2d86 h LEU 53 N 0.42 -1.18 -0.69 1.46 5.85 -0.25 0.50 115.31 121.43 2d86 h LEU 53 Ca 0.23 0.17 0.08 0.00 0.84 0.00 0.00 57.88 59.19 2d86 h LEU 53 Cb 0.19 0.51 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 2d86 h LEU 53 CO -0.20 -0.18 0.36 -0.07 -0.34 0.00 0.00 178.44 178.01 2d86 h LEU 54 N -0.11 0.51 -2.52 2.25 3.38 -1.53 0.83 115.31 118.11 2d86 h LEU 54 Ca 0.07 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2d86 h LEU 54 Cb 0.29 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2d86 h LEU 54 CO -0.45 0.31 -0.01 0.78 0.09 0.00 0.00 178.44 179.16 2d86 h ASN 55 N 0.64 0.00 0.12 -0.43 2.35 -0.33 0.11 115.58 118.05 2d86 h ASN 55 Ca 0.32 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.90 2d86 h ASN 55 Cb 0.28 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.66 2d86 h ASN 55 CO -0.23 0.01 -0.79 0.78 -1.65 0.00 0.00 177.43 175.55 2d86 h ASN 56 N 0.00 0.41 0.08 5.81 2.35 0.23 -3.38 115.58 121.08 2d86 h ASN 56 Ca -0.00 -0.94 -0.00 0.00 -0.55 0.00 0.00 56.30 54.80 2d86 h ASN 56 Cb 0.03 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2d86 h ASN 56 CO 0.00 1.37 -0.04 -0.07 -1.65 0.00 0.00 177.43 177.05 2d86 h LEU 57 N -0.44 -0.09 -9.30 1.61 3.38 -0.77 -3.46 115.31 106.25 2d86 h LEU 57 Ca -0.15 -0.38 -0.61 0.00 0.09 0.00 0.00 57.88 56.84 2d86 h LEU 57 Cb 1.58 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 42.22 2d86 h LEU 57 CO 0.12 0.35 -0.73 -0.60 0.09 0.00 0.00 178.44 177.67 2d86 s ARG 58 N -4.36 1.90 0.02 1.13 3.52 0.33 -4.92 118.95 116.57 2d86 s ARG 58 Ca -0.15 -1.52 -0.16 0.00 -0.13 0.00 0.00 55.73 53.77 2d86 s ARG 58 Cb 0.02 -1.97 -0.06 0.00 -1.56 0.00 0.00 34.95 31.38 2d86 s ARG 58 CO 0.63 0.37 0.45 0.00 -0.81 0.00 0.00 175.30 175.94 2d86 s ALA 59 N -2.14 3.67 -1.24 6.12 0.00 -1.26 -4.10 121.76 122.81 2d86 s ALA 59 Ca 0.28 -0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 2d86 s ALA 59 Cb -0.07 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.60 2d86 s ALA 59 CO 0.15 0.46 0.34 0.72 0.00 0.00 0.00 175.76 177.44 2d86 n HIS 60 N 1.78 -1.31 -0.00 0.00 8.25 -1.26 -4.92 115.22 117.76 2d86 n HIS 60 Ca -0.13 0.29 -0.17 0.00 -0.26 0.00 0.00 57.72 57.46 2d86 n HIS 60 Cb 0.52 -3.58 -0.12 0.00 1.12 0.00 0.00 29.99 27.93 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 -0.78 0.37 -3.62 0.41 0.02 -1.85 -3.47 113.55 104.64 2d86 h SER 61 Ca -0.40 -0.81 -0.16 0.00 -0.84 0.00 0.00 61.79 59.57 2d86 h SER 61 Cb 1.28 -0.12 -0.27 0.00 0.14 0.00 0.00 62.40 63.44 2d86 h SER 61 CO 0.44 1.14 -0.40 -0.63 -1.14 0.00 0.00 176.83 176.24 2d86 s ILE 62 N -2.98 -0.02 -0.27 3.27 1.01 -1.26 -4.81 121.20 116.14 2d86 s ILE 62 Ca -0.15 0.06 -0.27 0.00 0.00 0.00 0.00 60.65 60.29 2d86 s ILE 62 Cb 0.02 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.07 2d86 s ILE 62 CO 0.79 0.02 0.96 0.21 0.00 0.00 0.00 174.94 176.92 2d86 s ASN 63 N 0.64 6.92 0.21 3.58 3.84 -1.26 -4.89 114.94 123.98 2d86 s ASN 63 Ca -0.04 1.10 -0.09 0.00 0.21 0.00 0.00 52.86 54.03 2d86 s ASN 63 Cb -0.05 -2.49 0.26 0.00 -0.55 0.00 0.00 41.25 38.42 2d86 s ASN 63 CO -0.04 -0.68 1.77 -0.07 -2.79 0.00 0.00 177.10 175.29 2d86 h LEU 64 N 9.56 0.37 -1.49 3.21 3.38 -1.99 -0.66 115.31 127.69 2d86 h LEU 64 Ca -0.21 0.06 0.09 0.00 0.09 0.00 0.00 57.88 57.90 2d86 h LEU 64 Cb 1.07 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 2d86 h LEU 64 CO 0.95 0.23 0.45 0.11 0.09 0.00 0.00 178.44 180.27 2d86 h LYS 65 N 0.52 0.57 0.00 1.13 6.56 -2.02 0.65 116.57 123.98 2d86 h LYS 65 Ca 0.30 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.81 2d86 h LYS 65 Cb 0.30 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.83 2d86 h LYS 65 CO -0.25 0.38 -0.21 0.93 -2.06 0.00 0.00 179.45 178.24 2d86 h GLU 66 N 0.59 0.00 -5.28 3.15 5.08 -1.52 -3.41 114.58 113.18 2d86 h GLU 66 Ca 0.31 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 58.06 2d86 h GLU 66 Cb 0.44 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.55 2d86 h GLU 66 CO -0.10 0.21 -0.52 0.96 -1.00 0.00 0.00 179.01 178.56 2d86 s ILE 67 N -4.22 5.17 -0.13 3.13 -4.36 0.22 -5.02 121.20 115.99 2d86 s ILE 67 Ca -0.03 0.10 -0.29 0.00 -0.26 0.00 0.00 60.65 60.17 2d86 s ILE 67 Cb 0.14 -3.35 -0.04 0.00 1.25 0.00 0.00 42.46 40.46 2d86 s ILE 67 CO 0.65 0.45 1.68 0.20 0.24 0.00 0.00 174.94 178.16 2d86 s ASN 68 N 0.35 6.48 -0.09 4.36 0.01 -1.26 -4.89 114.94 119.89 2d86 s ASN 68 Ca 0.06 1.99 -0.15 0.00 -0.71 0.00 0.00 52.86 54.05 2d86 s ASN 68 Cb -0.12 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 2d86 s ASN 68 CO -0.01 -1.12 0.37 -0.76 -1.51 0.00 0.00 177.10 174.07 2d86 s LEU 69 N 4.75 4.34 -0.41 0.60 1.43 -1.26 -4.38 118.68 123.75 2d86 s LEU 69 Ca 0.75 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 54.57 2d86 s LEU 69 Cb -0.30 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 2d86 s LEU 69 CO 0.30 0.17 0.35 -1.14 0.23 0.00 0.00 176.35 176.26 2d86 n ARG 70 N 2.92 -1.66 0.00 1.70 0.63 -1.26 -4.91 116.66 114.09 2d86 n ARG 70 Ca -0.12 0.31 0.06 0.00 -0.92 0.00 0.00 57.85 57.18 2d86 n ARG 70 Cb 0.52 -3.42 0.33 0.00 0.45 0.00 0.00 32.46 30.34 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 -2.14 0.49 -3.13 -0.14 -0.04 -1.26 -4.82 135.00 123.96 2d86 n PRO 71 Ca -0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.20 2d86 n PRO 71 Cb 0.55 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.86 -2.93 -3.21 0.54 6.02 -1.26 -0.57 117.38 115.11 2d86 n GLN 72 Ca 0.08 0.41 -0.14 0.00 -0.01 0.00 0.00 57.00 57.34 2d86 n GLN 72 Cb 0.04 -5.06 0.08 0.00 1.02 0.00 0.00 30.24 26.31 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 -3.39 -5.61 -1.73 -1.09 2.81 -1.26 -5.02 117.12 101.83 2d86 n MET 73 Ca -0.03 0.72 -0.22 0.00 -1.81 0.00 0.00 57.70 56.36 2d86 n MET 73 Cb 0.54 -5.35 0.14 0.00 -0.71 0.00 0.00 33.22 27.84 2d86 n MET 73 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2d86 n SER 74 N -2.80 0.39 -0.09 7.83 2.88 0.26 -5.05 113.62 117.05 2d86 n SER 74 Ca -0.25 -1.55 -0.18 0.00 -1.33 0.00 0.00 58.87 55.56 2d86 n SER 74 Cb 0.64 -0.72 -0.06 0.00 -0.75 0.00 0.00 64.21 63.32 2d86 n SER 74 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2d86 n GLN 75 N -3.02 0.38 -0.04 -1.46 7.27 -1.26 -4.15 117.38 115.10 2d86 n GLN 75 Ca 0.13 0.16 -0.14 0.00 0.07 0.00 0.00 57.00 57.22 2d86 n GLN 75 Cb 0.47 -1.15 -0.09 0.00 2.41 0.00 0.00 30.24 31.88 2d86 n GLN 75 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 2d86 h PHE 76 N -0.56 0.30 0.15 3.69 -1.00 -1.98 -1.91 116.94 115.63 2d86 h PHE 76 Ca -0.44 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.22 2d86 h PHE 76 Cb 1.41 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.92 2d86 h PHE 76 CO -0.05 0.76 -0.07 -0.07 -1.61 0.00 0.00 178.31 177.27 2d86 h LEU 77 N -0.24 -0.18 0.70 1.54 3.38 -1.94 -1.34 115.31 117.23 2d86 h LEU 77 Ca 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2d86 h LEU 77 Cb 0.75 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2d86 h LEU 77 CO 0.04 -0.09 -0.43 0.00 0.09 0.00 0.00 178.44 178.05 2d86 h LEU 79 N -1.06 -0.20 0.60 0.00 3.38 -1.37 -0.88 115.31 115.78 2d86 h LEU 79 Ca -0.09 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2d86 h LEU 79 Cb 0.84 0.32 0.01 0.00 0.09 0.00 0.00 40.66 41.92 2d86 h LEU 79 CO 0.10 -0.17 -0.29 0.50 0.09 0.00 0.00 178.44 178.66 2d86 h LYS 80 N 0.15 -0.78 -0.50 1.13 3.11 -1.01 -3.08 116.57 115.59 2d86 h LYS 80 Ca 0.48 0.05 0.05 0.00 -2.81 0.00 0.00 60.65 58.42 2d86 h LYS 80 Cb 0.90 0.18 -0.08 0.00 -1.00 0.00 0.00 32.23 32.23 2d86 h LYS 80 CO -0.67 -0.47 -0.47 -0.91 -2.81 0.00 0.00 179.45 174.12 2d86 h ASN 81 N -0.99 -1.64 -0.95 4.20 2.35 0.39 -1.15 115.58 117.80 2d86 h ASN 81 Ca -0.08 0.23 0.13 0.00 -0.55 0.00 0.00 56.30 56.02 2d86 h ASN 81 Cb 0.67 0.69 -0.14 0.00 0.05 0.00 0.00 38.32 39.59 2d86 h ASN 81 CO 0.14 -0.29 -0.43 -0.38 -1.65 0.00 0.00 177.43 174.82 2d86 n ILE 82 N -4.91 -0.54 -0.26 2.81 5.41 -0.44 0.66 119.36 122.08 2d86 n ILE 82 Ca -0.02 2.24 0.07 0.00 1.00 0.00 0.00 62.75 66.04 2d86 n ILE 82 Cb 0.26 -2.90 0.19 0.00 -0.71 0.00 0.00 39.64 36.48 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 0.16 -0.95 0.38 3.08 -1.13 0.21 114.38 116.14 2d86 h ARG 83 Ca 0.28 -0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.55 2d86 h ARG 83 Cb 0.51 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.40 2d86 h ARG 83 CO -0.92 0.11 0.49 1.15 -1.07 0.00 0.00 179.97 179.72 2d86 h THR 84 N 0.16 0.50 0.53 2.04 2.02 0.57 -0.75 112.91 117.99 2d86 h THR 84 Ca 0.44 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.43 2d86 h THR 84 Cb 0.79 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2d86 h THR 84 CO -0.62 0.09 -0.26 0.15 0.37 0.00 0.00 175.52 175.25 2d86 h PHE 85 N 0.48 -0.66 -1.42 3.16 3.57 -0.45 -2.89 116.94 118.73 2d86 h PHE 85 Ca 0.60 -0.02 0.41 0.00 3.53 0.00 0.00 57.97 62.50 2d86 h PHE 85 Cb 1.15 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 40.05 2d86 h PHE 85 CO -0.08 -0.41 1.01 -0.07 -2.23 0.00 0.00 178.31 176.54 2d86 h LEU 86 N -0.95 0.03 0.44 0.59 3.38 -1.10 0.66 115.31 118.36 2d86 h LEU 86 Ca -0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2d86 h LEU 86 Cb 0.55 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2d86 h LEU 86 CO 0.12 -0.00 -0.21 0.74 0.09 0.00 0.00 178.44 179.17 2d86 h THR 87 N 0.02 0.48 -0.79 0.22 2.02 -1.03 -3.08 112.91 110.75 2d86 h THR 87 Ca 0.68 -0.44 0.13 0.00 0.77 0.00 0.00 66.41 67.55 2d86 h THR 87 Cb 2.69 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 69.71 2d86 h THR 87 CO -0.03 0.07 0.52 0.00 0.37 0.00 0.00 175.52 176.44 2d86 h ALA 88 N -0.49 1.92 -0.07 6.16 0.00 -0.68 0.28 119.26 126.38 2d86 h ALA 88 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2d86 h ALA 88 Cb 0.57 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2d86 h ALA 88 CO 0.10 -0.12 0.24 0.00 0.00 0.00 0.00 179.25 179.47 2d86 h GLU 91 N 0.00 0.00 0.47 0.00 4.39 0.19 -3.21 114.58 116.42 2d86 h GLU 91 Ca -0.18 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 2d86 h GLU 91 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2d86 h GLU 91 CO 0.01 0.60 -0.23 1.15 -1.16 0.00 0.00 179.01 179.38 2d86 h THR 92 N -1.00 0.25 0.00 1.13 2.02 0.11 -3.41 112.91 112.01 2d86 h THR 92 Ca -0.20 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2d86 h THR 92 Cb 0.95 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2d86 h THR 92 CO -0.12 0.05 -0.16 -0.26 0.37 0.00 0.00 175.52 175.40 2d86 h PHE 93 N -1.07 0.00 0.00 3.16 -1.00 -1.40 -3.50 116.94 113.14 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 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 2d86 h PHE 93 CO 0.01 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.12 2d86 n GLY 94 N 1.73 0.76 3.89 -1.45 0.00 -0.06 -4.92 105.19 105.13 2d86 n GLY 94 Ca -0.02 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 2d86 n GLY 94 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2d86 s MET 95 N -1.44 2.80 -0.53 1.61 0.23 0.47 -4.93 119.30 117.50 2d86 s MET 95 Ca 0.00 -1.25 -0.27 0.00 -1.03 0.00 0.00 55.69 53.13 2d86 s MET 95 Cb 0.00 -2.55 -0.09 0.00 -1.53 0.00 0.00 34.83 30.66 2d86 s MET 95 CO 0.00 0.05 2.43 0.54 -2.03 0.00 0.00 175.02 176.01 2d86 n ARG 96 N -1.47 0.98 -0.23 3.16 5.12 -1.26 -4.67 116.66 118.29 2d86 n ARG 96 Ca -0.01 0.05 0.29 0.00 -1.93 0.00 0.00 57.85 56.25 2d86 n ARG 96 Cb 0.60 -3.13 0.69 0.00 -1.16 0.00 0.00 32.46 29.45 2d86 n ARG 96 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2d86 h LYS 97 N 17.96 0.07 -0.11 5.56 3.64 -1.95 0.49 116.57 142.24 2d86 h LYS 97 Ca -0.23 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 2d86 h LYS 97 Cb 1.28 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 2d86 h LYS 97 CO 1.17 0.05 -0.01 1.03 -2.27 0.00 0.00 179.45 179.41 2d86 h SER 98 N 0.07 0.13 -0.25 4.20 0.87 -2.01 -2.38 113.55 114.19 2d86 h SER 98 Ca 0.48 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.86 2d86 h SER 98 Cb 1.78 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 2d86 h SER 98 CO -0.05 0.18 -0.49 -0.33 -0.53 0.00 0.00 176.83 175.61 2d86 h GLU 99 N 0.15 0.77 -6.35 2.24 5.08 -0.38 -3.45 114.58 112.64 2d86 h GLU 99 Ca 0.04 -0.50 -0.51 0.00 -1.00 0.00 0.00 59.36 57.40 2d86 h GLU 99 Cb 0.13 0.06 0.24 0.00 0.50 0.00 0.00 28.75 29.68 2d86 h GLU 99 CO 0.00 1.12 -1.61 1.28 -1.00 0.00 0.00 179.01 178.81 2d86 n LEU 100 N -4.11 -2.99 0.00 1.33 4.77 -0.90 -4.63 117.00 110.48 2d86 n LEU 100 Ca -0.05 0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 2d86 n LEU 100 Cb 0.59 -0.84 0.06 0.00 -2.33 0.00 0.00 43.42 40.90 2d86 n LEU 100 CO 0.48 -3.82 0.30 2.22 -1.33 0.00 0.00 177.39 175.24 2d86 n PHE 101 N -3.51 -2.64 -3.89 -1.77 1.16 -1.26 -5.01 117.46 100.55 2d86 n PHE 101 Ca 0.01 -1.45 -0.35 0.00 -1.87 0.00 0.00 57.45 53.79 2d86 n PHE 101 Cb 0.62 -0.42 -0.08 0.00 -1.61 0.00 0.00 39.48 37.99 2d86 n PHE 101 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2d86 s GLU 102 N -3.98 3.94 0.28 3.97 2.02 -1.26 -4.99 118.70 118.68 2d86 s GLU 102 Ca 0.44 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 55.19 2d86 s GLU 102 Cb -0.03 -3.28 0.67 0.00 0.10 0.00 0.00 34.13 31.59 2d86 s GLU 102 CO 0.28 0.39 1.68 0.00 0.02 0.00 0.00 175.26 177.63 2d86 h ALA 103 N 6.34 1.29 0.77 5.21 0.00 -1.97 -2.12 119.26 128.79 2d86 h ALA 103 Ca -0.42 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2d86 h ALA 103 Cb 1.17 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2d86 h ALA 103 CO 0.70 -0.39 -0.37 0.35 0.00 0.00 0.00 179.25 179.54 2d86 h PHE 104 N 0.31 -0.97 -0.74 0.00 3.57 -1.95 -1.61 116.94 115.55 2d86 h PHE 104 Ca 0.53 -0.02 0.26 0.00 3.53 0.00 0.00 57.97 62.27 2d86 h PHE 104 Cb 1.01 0.32 -0.14 0.00 2.79 0.00 0.00 35.95 39.94 2d86 h PHE 104 CO -0.21 -0.60 0.22 -0.25 -2.23 0.00 0.00 178.31 175.24 2d86 n ASP 105 N -4.80 0.10 0.22 0.41 8.00 -0.82 -0.09 116.55 119.57 2d86 n ASP 105 Ca -0.13 1.24 -0.09 0.00 0.71 0.00 0.00 54.79 56.52 2d86 n ASP 105 Cb 0.41 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.93 2d86 n ASP 105 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2d86 h LEU 106 N 0.00 -0.52 -0.16 0.64 5.85 -1.26 0.62 115.31 120.48 2d86 h LEU 106 Ca 0.54 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.32 2d86 h LEU 106 Cb 1.32 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.42 2d86 h LEU 106 CO -0.63 -0.11 -0.49 0.15 -0.34 0.00 0.00 178.44 177.03 2d86 h PHE 107 N -1.15 -1.43 0.00 1.25 3.57 0.50 0.35 116.94 120.04 2d86 h PHE 107 Ca -0.06 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2d86 h PHE 107 Cb 0.47 0.65 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2d86 h PHE 107 CO 0.00 -0.51 0.00 -3.47 -2.23 0.00 0.00 178.31 172.10 2d86 n ASP 108 N -5.44 0.00 -4.25 0.41 2.03 0.85 -4.88 116.55 105.27 2d86 n ASP 108 Ca -0.05 -1.24 -0.31 0.00 0.52 0.00 0.00 54.79 53.71 2d86 n ASP 108 Cb 0.37 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.69 2d86 n ASP 108 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2d86 n VAL 109 N -0.79 -1.39 0.02 5.18 0.31 0.12 -4.87 118.33 116.91 2d86 n VAL 109 Ca 0.12 -0.51 -0.02 0.00 -0.01 0.00 0.00 64.34 63.92 2d86 n VAL 109 Cb 0.06 -1.30 -0.01 0.00 -0.91 0.00 0.00 33.84 31.67 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 -1.83 -0.15 -2.91 5.55 3.08 -0.14 -3.43 114.38 114.55 2d86 h ARG 110 Ca -0.66 0.01 -0.61 0.00 0.07 0.00 0.00 59.98 58.79 2d86 h ARG 110 Cb 1.40 0.03 -0.40 0.00 0.08 0.00 0.00 29.97 31.08 2d86 h ARG 110 CO 0.69 -0.10 -0.74 -0.51 -1.07 0.00 0.00 179.97 178.23 2d86 s ASP 111 N -5.15 3.52 0.20 7.04 1.11 -1.25 -4.96 116.67 117.17 2d86 s ASP 111 Ca -0.02 -2.92 -0.09 0.00 0.18 0.00 0.00 52.55 49.70 2d86 s ASP 111 Cb 0.00 -1.06 0.11 0.00 1.07 0.00 0.00 42.92 43.05 2d86 s ASP 111 CO 0.07 -0.22 1.72 0.15 1.18 0.00 0.00 175.17 178.07 2d86 h PHE 112 N 6.31 1.18 -1.44 4.23 3.57 -1.84 -2.81 116.94 126.16 2d86 h PHE 112 Ca 0.06 -0.14 0.43 0.00 3.53 0.00 0.00 57.97 61.85 2d86 h PHE 112 Cb 0.89 -0.33 -0.09 0.00 2.79 0.00 0.00 35.95 39.21 2d86 h PHE 112 CO 0.48 0.96 0.99 0.78 -2.23 0.00 0.00 178.31 179.29 2d86 h GLY 113 N 1.07 0.62 1.31 2.40 0.00 -1.99 0.97 103.07 107.45 2d86 h GLY 113 Ca 0.22 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.37 2d86 h GLY 113 CO 0.00 -0.16 -0.25 0.50 0.00 0.00 0.00 176.54 176.63 2d86 h LYS 114 N 0.08 0.78 -0.41 4.80 1.57 -1.93 -2.77 116.57 118.69 2d86 h LYS 114 Ca 0.77 -0.33 -0.14 0.00 -1.87 0.00 0.00 60.65 59.07 2d86 h LYS 114 Cb 2.71 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.98 2d86 h LYS 114 CO -0.19 0.95 -0.31 0.28 -0.57 0.00 0.00 179.45 179.61 2d86 h VAL 115 N 0.68 1.27 -0.04 0.50 2.07 0.83 -3.05 116.25 118.51 2d86 h VAL 115 Ca 0.09 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.14 2d86 h VAL 115 Cb 0.77 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2d86 h VAL 115 CO 0.06 0.50 -0.00 0.40 0.02 0.00 0.00 177.57 178.55 2d86 h ILE 116 N 0.77 0.97 -0.53 4.57 2.04 -1.29 -2.81 117.51 121.24 2d86 h ILE 116 Ca 0.08 -0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.04 2d86 h ILE 116 Cb 0.88 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 2d86 h ILE 116 CO 0.08 0.00 0.08 -0.08 0.00 0.00 0.00 178.15 178.23 2d86 h GLU 117 N 0.01 0.20 -0.98 2.37 4.81 -1.49 -1.02 114.58 118.48 2d86 h GLU 117 Ca 0.02 -0.01 0.34 0.00 -0.13 0.00 0.00 59.36 59.57 2d86 h GLU 117 Cb 0.02 -0.05 -0.16 0.00 0.63 0.00 0.00 28.75 29.19 2d86 h GLU 117 CO -0.03 0.13 0.45 1.15 -0.73 0.00 0.00 179.01 179.98 2d86 h THR 118 N 0.21 0.17 -0.14 0.32 2.02 -1.38 0.54 112.91 114.64 2d86 h THR 118 Ca 0.27 -0.06 -0.19 0.00 0.77 0.00 0.00 66.41 67.20 2d86 h THR 118 Cb 0.38 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2d86 h THR 118 CO -0.37 0.03 -0.67 -0.07 0.37 0.00 0.00 175.52 174.81 2d86 h LEU 119 N 0.16 0.84 -1.13 2.58 3.38 -1.22 -2.19 115.31 117.73 2d86 h LEU 119 Ca 0.73 -0.63 0.24 0.00 0.09 0.00 0.00 57.88 58.31 2d86 h LEU 119 Cb 1.74 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 42.13 2d86 h LEU 119 CO -0.70 1.33 0.62 0.28 0.09 0.00 0.00 178.44 180.05 2d86 h SER 120 N 0.40 0.62 0.08 -0.43 0.02 0.46 -1.24 113.55 113.46 2d86 h SER 120 Ca -0.04 0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 2d86 h SER 120 Cb 1.30 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.85 2d86 h SER 120 CO 0.14 0.14 -0.69 0.03 -1.14 0.00 0.00 176.83 175.30 2d86 h ARG 121 N 0.56 0.17 -0.87 3.45 3.08 -1.40 -3.35 114.38 116.03 2d86 h ARG 121 Ca 0.61 -0.29 0.23 0.00 0.07 0.00 0.00 59.98 60.60 2d86 h ARG 121 Cb 1.24 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 31.25 2d86 h ARG 121 CO -0.39 1.14 0.19 1.25 -1.07 0.00 0.00 179.97 181.08 2d86 h LEU 122 N -0.61 -0.09 -1.54 3.04 5.85 -0.64 0.53 115.31 121.86 2d86 h LEU 122 Ca -0.14 0.20 0.35 0.00 0.84 0.00 0.00 57.88 59.13 2d86 h LEU 122 Cb 1.43 0.29 -0.09 0.00 0.37 0.00 0.00 40.66 42.66 2d86 h LEU 122 CO 0.06 -0.17 0.80 0.77 -0.34 0.00 0.00 178.44 179.56 2d86 h SER 123 N 0.18 0.27 -0.91 1.25 4.64 -1.39 0.38 113.55 117.96 2d86 h SER 123 Ca 0.53 0.08 0.15 0.00 -0.47 0.00 0.00 61.79 62.09 2d86 h SER 123 Cb 1.06 0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 63.10 2d86 h SER 123 CO -0.67 -0.02 0.51 0.03 -0.87 0.00 0.00 176.83 175.80 2d86 h ARG 124 N 0.20 0.69 -5.83 4.77 3.08 -0.11 -3.29 114.38 113.89 2d86 h ARG 124 Ca 0.68 -0.04 -0.60 0.00 0.07 0.00 0.00 59.98 60.09 2d86 h ARG 124 Cb 2.12 -0.16 0.16 0.00 0.08 0.00 0.00 29.97 32.17 2d86 h ARG 124 CO -0.26 0.46 -1.01 0.25 -1.07 0.00 0.00 179.97 178.34 2d86 n THR 125 N -4.81 0.36 0.95 2.04 -2.24 0.13 -4.73 114.28 105.97 2d86 n THR 125 Ca 0.19 -0.49 0.08 0.00 -2.27 0.00 0.00 64.05 61.56 2d86 n THR 125 Cb 0.46 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.14 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 1.37 0.46 -0.06 -0.78 -0.04 -1.26 -2.70 135.00 131.99 2d86 n PRO 126 Ca 0.10 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 2d86 n PRO 126 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 2d86 n PRO 126 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2d86 n ILE 127 N -1.03 1.64 -0.09 0.52 -0.00 -1.26 -3.29 119.36 115.85 2d86 n ILE 127 Ca 0.11 -0.59 -0.13 0.00 -0.00 0.00 0.00 62.75 62.14 2d86 n ILE 127 Cb 0.06 -1.62 -0.04 0.00 -0.00 0.00 0.00 39.64 38.04 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 -0.02 0.43 -0.27 -1.39 0.00 -1.70 -3.20 119.26 113.10 2d86 h ALA 128 Ca -0.50 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 53.84 2d86 h ALA 128 Cb 1.94 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2d86 h ALA 128 CO -0.02 0.46 -0.49 -0.07 0.00 0.00 0.00 179.25 179.14 2d86 h LEU 129 N 0.47 0.83 -0.92 0.00 3.38 -1.60 -3.19 115.31 114.29 2d86 h LEU 129 Ca 0.04 -0.42 0.26 0.00 0.09 0.00 0.00 57.88 57.86 2d86 h LEU 129 Cb 0.88 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.24 2d86 h LEU 129 CO 0.08 1.17 0.17 0.00 0.09 0.00 0.00 178.44 179.95 2d86 h ALA 130 N 0.85 1.28 -0.68 1.53 0.00 -1.54 0.78 119.26 121.47 2d86 h ALA 130 Ca 0.03 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2d86 h ALA 130 Cb 1.06 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 2d86 h ALA 130 CO 0.10 -0.55 0.35 1.79 0.00 0.00 0.00 179.25 180.95 2d86 h THR 131 N 0.11 1.21 0.00 0.00 1.35 -1.63 -3.47 112.91 110.48 2d86 h THR 131 Ca 0.58 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 2d86 h THR 131 Cb 1.23 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2d86 h THR 131 CO -0.76 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 175.36 2d86 n GLY 132 N -1.17 1.34 3.77 5.82 0.00 0.27 -5.08 105.19 110.15 2d86 n GLY 132 Ca 0.07 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 4.55 -0.64 -0.61 1.01 -1.26 -4.87 121.20 117.38 2d86 s ILE 133 Ca 0.00 1.60 -0.14 0.00 0.00 0.00 0.00 60.65 62.10 2d86 s ILE 133 Cb 0.00 -4.09 -0.17 0.00 0.01 0.00 0.00 42.46 38.21 2d86 s ILE 133 CO 0.00 0.47 1.59 0.54 0.00 0.00 0.00 174.94 177.54 2d86 n ARG 134 N 2.03 0.00 -2.26 2.79 1.74 -1.26 -4.80 116.66 114.90 2d86 n ARG 134 Ca -0.05 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.64 2d86 n ARG 134 Cb 0.49 -0.83 -0.02 0.00 -1.02 0.00 0.00 32.46 31.08 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 5.25 4.15 0.63 5.56 0.04 -1.26 -4.89 135.00 144.48 2d86 s PRO 135 Ca 0.86 1.93 -0.18 0.00 0.04 0.00 0.00 61.00 63.65 2d86 s PRO 135 Cb -0.70 -2.80 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 2d86 s PRO 135 CO 0.33 -0.26 0.81 1.19 0.04 0.00 0.00 177.00 179.12 2d86 n PHE 136 N 0.31 0.26 -2.14 0.56 3.01 -1.26 -4.88 117.46 113.33 2d86 n PHE 136 Ca 0.03 0.42 -0.43 0.00 1.01 0.00 0.00 57.45 58.49 2d86 n PHE 136 Cb 0.45 -2.06 -0.03 0.00 -0.01 0.00 0.00 39.48 37.84 2d86 n PHE 136 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2d86 s PRO 137 N -2.68 4.17 1.18 -1.08 0.04 -1.26 -5.01 135.00 130.35 2d86 s PRO 137 Ca 0.73 1.98 -0.20 0.00 0.04 0.00 0.00 61.00 63.56 2d86 s PRO 137 Cb -0.40 -3.92 0.29 0.00 0.04 0.00 0.00 34.50 30.50 2d86 s PRO 137 CO 0.50 -0.84 1.18 -1.12 0.04 0.00 0.00 177.00 176.76 2d86 s SER 138 N 2.99 1.15 0.33 6.66 0.01 -1.26 -5.08 113.70 118.50 2d86 s SER 138 Ca 0.67 0.40 0.08 0.00 1.31 0.00 0.00 55.95 58.41 2d86 s SER 138 Cb -0.29 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 2d86 s SER 138 CO 0.25 -3.96 0.19 -0.83 0.41 0.00 0.00 173.24 169.30 2d86 s GLY 139 N -4.28 1.85 0.05 3.44 0.00 -1.26 -5.05 107.32 102.07 2d86 s GLY 139 Ca 0.74 -1.74 -0.19 0.00 0.00 0.00 0.00 44.72 43.53 2d86 s GLY 139 CO 0.55 -1.68 1.36 -0.56 0.00 0.00 0.00 173.10 172.77 2d86 h PRO 140 N 1.45 0.43 -5.78 2.90 0.13 -2.07 -3.44 132.00 125.62 2d86 h PRO 140 Ca -0.44 -0.23 -0.64 0.00 -0.87 0.00 0.00 66.00 63.82 2d86 h PRO 140 Cb 1.25 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 2d86 h PRO 140 CO 0.61 0.79 -0.49 0.45 -0.23 0.00 0.00 178.00 179.13 2d86 s SER 141 N -6.21 6.37 -0.19 1.44 0.15 -1.26 -5.02 113.70 108.97 2d86 s SER 141 Ca -0.14 0.36 -0.06 0.00 0.70 0.00 0.00 55.95 56.81 2d86 s SER 141 Cb 0.06 -2.01 -0.09 0.00 -1.71 0.00 0.00 66.02 62.27 2d86 s SER 141 CO 0.77 0.28 -0.22 -1.20 1.20 0.00 0.00 173.24 174.07 2d86 n SER 142 N 1.10 1.73 0.00 5.45 7.64 -1.26 -5.20 113.62 123.07 2d86 n SER 142 Ca -0.12 0.14 0.09 0.00 1.01 0.00 0.00 58.87 59.98 2d86 n SER 142 Cb 0.53 -0.48 0.53 0.00 -1.01 0.00 0.00 64.21 63.77 2d86 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64