#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a59 s LYS 14 N 0.00 1.60 -0.45 3.23 -0.14 -1.26 -4.49 119.74 118.23 2a59 s LYS 14 Ca 0.00 -0.93 0.07 0.00 -1.36 0.00 0.00 55.97 53.75 2a59 s LYS 14 Cb 0.00 -1.67 0.22 0.00 -1.68 0.00 0.00 37.83 34.70 2a59 s LYS 14 CO 0.00 0.44 0.51 0.41 -0.76 0.00 0.00 175.35 175.94 2a59 n GLY 15 N 2.05 3.04 0.25 -3.33 0.00 -0.05 -4.95 105.19 102.21 2a59 n GLY 15 Ca -0.17 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.20 2a59 n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a59 h PRO 16 N 4.52 0.00 -0.01 1.61 0.11 -1.75 -2.56 132.00 133.92 2a59 h PRO 16 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2a59 h PRO 16 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2a59 h PRO 16 CO 0.51 0.10 -0.35 0.39 -0.21 0.00 0.00 178.00 178.44 2a59 n GLU 17 N -4.13 1.01 -2.23 1.05 1.02 -1.26 -4.43 120.64 111.67 2a59 n GLU 17 Ca -0.03 -0.72 -0.41 0.00 -0.02 0.00 0.00 57.16 55.99 2a59 n GLU 17 Cb 0.18 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 2a59 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2a59 s LEU 18 N -2.49 4.46 -0.28 -4.62 1.43 -0.96 -5.01 118.68 111.20 2a59 s LEU 18 Ca 0.22 2.53 -0.04 0.00 -1.03 0.00 0.00 54.13 55.81 2a59 s LEU 18 Cb 0.19 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.80 2a59 s LEU 18 CO 0.54 -0.43 0.01 -0.13 0.23 0.00 0.00 176.35 176.57 2a59 s ARG 19 N -1.42 2.84 -0.07 1.70 0.52 -1.26 -4.73 118.95 116.52 2a59 s ARG 19 Ca 0.49 -1.00 0.02 0.00 -0.52 0.00 0.00 55.73 54.72 2a59 s ARG 19 Cb -0.37 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 2a59 s ARG 19 CO 0.47 -0.47 -0.11 0.42 0.02 0.00 0.00 175.30 175.63 2a59 s ILE 20 N 1.38 3.29 -0.09 1.52 1.09 -0.58 -0.17 121.20 127.64 2a59 s ILE 20 Ca -0.00 -0.63 -0.00 0.00 -1.10 0.00 0.00 60.65 58.92 2a59 s ILE 20 Cb -0.18 -2.32 -0.03 0.00 -1.06 0.00 0.00 42.46 38.87 2a59 s ILE 20 CO -0.01 0.58 -0.06 -0.22 -0.10 0.00 0.00 174.94 175.13 2a59 s LEU 21 N -0.56 3.19 -0.15 2.97 2.96 -0.54 -1.38 118.68 125.18 2a59 s LEU 21 Ca 0.08 -0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2a59 s LEU 21 Cb -0.12 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.90 2a59 s LEU 21 CO 0.02 0.32 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.65 2a59 s ILE 22 N -0.57 1.29 -0.16 6.68 1.01 0.03 -0.89 121.20 128.59 2a59 s ILE 22 Ca 0.09 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 2a59 s ILE 22 Cb -0.12 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 2a59 s ILE 22 CO 0.02 0.30 -0.14 -0.69 0.00 0.00 0.00 174.94 174.43 2a59 s VAL 23 N 1.58 2.78 0.11 2.92 1.01 -0.75 -0.81 120.40 127.23 2a59 s VAL 23 Ca 0.03 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.34 2a59 s VAL 23 Cb -0.14 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2a59 s VAL 23 CO -0.09 0.50 -0.15 -1.38 0.00 0.00 0.00 175.10 173.99 2a59 s HIS 24 N 0.90 1.41 0.78 5.22 -3.43 -1.02 -0.91 115.29 118.23 2a59 s HIS 24 Ca -0.03 -0.51 -0.06 0.00 -0.80 0.00 0.00 55.06 53.65 2a59 s HIS 24 Cb -0.15 -0.75 0.13 0.00 -1.43 0.00 0.00 32.58 30.38 2a59 s HIS 24 CO -0.01 0.13 1.09 0.00 -2.00 0.00 0.00 174.74 173.95 2a59 s ALA 25 N -1.80 3.18 -0.65 -1.38 0.00 -0.47 -1.05 121.76 119.59 2a59 s ALA 25 Ca 0.06 -1.41 0.06 0.00 0.00 0.00 0.00 51.96 50.67 2a59 s ALA 25 Cb -0.07 -2.34 0.11 0.00 0.00 0.00 0.00 23.12 20.82 2a59 s ALA 25 CO 0.03 -1.69 0.92 0.54 0.00 0.00 0.00 175.76 175.56 2a59 n ARG 26 N -3.10 1.39 -2.69 0.00 1.74 -0.17 -4.77 116.66 109.05 2a59 n ARG 26 Ca 0.13 -1.34 -0.40 0.00 -0.77 0.00 0.00 57.85 55.48 2a59 n ARG 26 Cb 0.60 -1.13 -0.06 0.00 -1.02 0.00 0.00 32.46 30.85 2a59 n ARG 26 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2a59 s TYR 27 N -0.76 3.89 -1.23 -1.55 1.51 -1.21 -3.72 117.35 114.29 2a59 s TYR 27 Ca 0.10 1.87 -0.01 0.00 -1.01 0.00 0.00 57.07 58.02 2a59 s TYR 27 Cb 0.06 -3.05 0.00 0.00 -0.11 0.00 0.00 41.96 38.86 2a59 s TYR 27 CO 0.08 0.23 0.94 0.09 -1.11 0.00 0.00 175.55 175.79 2a59 n ASN 28 N 1.41 -2.07 -0.00 2.29 3.02 -1.26 -4.54 115.26 114.12 2a59 n ASN 28 Ca -0.02 -0.66 0.20 0.00 -0.03 0.00 0.00 54.58 54.08 2a59 n ASN 28 Cb 0.47 -4.89 0.69 0.00 -0.61 0.00 0.00 39.78 35.44 2a59 n ASN 28 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2a59 h LEU 29 N -1.93 0.00 -1.67 3.41 5.85 -1.92 -0.89 115.31 118.15 2a59 h LEU 29 Ca -0.59 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.16 2a59 h LEU 29 Cb 1.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2a59 h LEU 29 CO 0.52 0.00 0.29 1.56 -0.34 0.00 0.00 178.44 180.46 2a59 h GLN 30 N 0.00 0.41 0.03 1.25 1.08 -1.93 -1.78 115.11 114.17 2a59 h GLN 30 Ca 0.25 -0.02 -0.32 0.00 -1.45 0.00 0.00 58.65 57.11 2a59 h GLN 30 Cb 1.03 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.32 2a59 h GLN 30 CO -0.00 0.27 -1.85 0.00 -0.95 0.00 0.00 178.83 176.31 2a59 n ALA 31 N -2.50 1.33 -0.09 3.87 0.00 -0.40 -4.46 120.51 118.26 2a59 n ALA 31 Ca 0.05 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 2a59 n ALA 31 Cb 0.18 -0.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 2a59 n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2a59 h ILE 32 N 0.02 1.30 -0.15 0.00 2.04 -0.96 -3.22 117.51 116.55 2a59 h ILE 32 Ca -0.35 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.37 2a59 h ILE 32 Cb 2.03 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 39.58 2a59 h ILE 32 CO 0.08 0.37 -0.14 -0.33 0.00 0.00 0.00 178.15 178.13 2a59 h GLU 33 N 0.28 -0.16 -0.83 2.37 5.08 -1.56 -1.47 114.58 118.30 2a59 h GLU 33 Ca 0.06 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2a59 h GLU 33 Cb 0.62 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 2a59 h GLU 33 CO 0.04 -0.11 0.54 -1.35 -1.00 0.00 0.00 179.01 177.13 2a59 h PRO 34 N -0.16 0.85 -0.20 2.33 0.11 -1.78 -1.03 132.00 132.12 2a59 h PRO 34 Ca 0.10 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2a59 h PRO 34 Cb 0.31 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 2a59 h PRO 34 CO -0.24 0.56 0.08 -0.07 -0.21 0.00 0.00 178.00 178.12 2a59 h LEU 35 N 0.88 0.28 -0.13 2.35 3.38 -1.39 0.19 115.31 120.86 2a59 h LEU 35 Ca 0.36 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2a59 h LEU 35 Cb 0.28 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2a59 h LEU 35 CO -0.13 0.37 0.07 0.58 0.09 0.00 0.00 178.44 179.42 2a59 h VAL 36 N 0.16 1.12 -0.06 1.22 2.07 -0.80 -1.38 116.25 118.58 2a59 h VAL 36 Ca 0.07 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.29 2a59 h VAL 36 Cb 0.19 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 2a59 h VAL 36 CO -0.00 0.11 -0.33 0.11 0.02 0.00 0.00 177.57 177.47 2a59 h LYS 37 N 0.10 -0.44 -0.67 1.57 6.56 -1.07 0.20 116.57 122.83 2a59 h LYS 37 Ca 0.05 0.03 0.10 0.00 -1.06 0.00 0.00 60.65 59.77 2a59 h LYS 37 Cb 0.11 0.10 -0.07 0.00 -0.57 0.00 0.00 32.23 31.79 2a59 h LYS 37 CO -0.01 -0.29 0.29 0.78 -2.06 0.00 0.00 179.45 178.16 2a59 h GLY 38 N -0.45 0.97 0.92 3.86 0.00 -0.81 0.20 103.07 107.76 2a59 h GLY 38 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2a59 h GLY 38 CO -0.31 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.07 2a59 h ALA 39 N 1.44 -0.44 0.41 3.60 0.00 -0.60 -1.62 119.26 122.04 2a59 h ALA 39 Ca 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2a59 h ALA 39 Cb 0.41 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2a59 h ALA 39 CO -0.30 -0.70 -0.25 0.28 0.00 0.00 0.00 179.25 178.27 2a59 h VAL 40 N -0.53 0.48 -0.49 0.00 2.07 -0.47 -2.22 116.25 115.08 2a59 h VAL 40 Ca -0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.56 2a59 h VAL 40 Cb 0.39 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2a59 h VAL 40 CO 0.07 0.00 0.10 -0.33 0.02 0.00 0.00 177.57 177.43 2a59 h GLU 41 N -0.63 0.23 -0.37 1.57 5.08 -0.65 -1.67 114.58 118.14 2a59 h GLU 41 Ca -0.05 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2a59 h GLU 41 Cb 0.52 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2a59 h GLU 41 CO 0.05 0.15 0.22 1.15 -1.00 0.00 0.00 179.01 179.57 2a59 h THR 42 N 0.23 1.04 -0.34 1.13 2.02 -1.18 0.20 112.91 116.02 2a59 h THR 42 Ca 0.25 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.30 2a59 h THR 42 Cb 0.33 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 2a59 h THR 42 CO -0.32 0.08 0.15 0.24 0.37 0.00 0.00 175.52 176.04 2a59 h MET 43 N 0.44 0.31 0.58 6.66 2.86 -0.91 0.19 114.93 125.06 2a59 h MET 43 Ca 0.15 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2a59 h MET 43 Cb 0.00 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.60 2a59 h MET 43 CO -0.07 0.21 -0.28 0.82 1.06 0.00 0.00 176.91 178.65 2a59 h ILE 44 N 0.32 0.22 -0.32 -1.22 2.04 -1.05 -1.12 117.51 116.38 2a59 h ILE 44 Ca 0.14 -0.38 -0.17 0.00 1.00 0.00 0.00 64.86 65.45 2a59 h ILE 44 Cb 0.07 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2a59 h ILE 44 CO -0.11 0.03 -0.49 -0.33 0.00 0.00 0.00 178.15 177.26 2a59 h GLU 45 N -1.09 0.88 0.00 2.37 5.08 -0.62 -2.55 114.58 118.65 2a59 h GLU 45 Ca -0.08 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.73 2a59 h GLU 45 Cb 0.65 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2a59 h GLU 45 CO 0.13 1.16 -1.61 1.63 -1.00 0.00 0.00 179.01 179.33 2a59 n LYS 46 N -4.02 0.64 0.00 2.33 4.76 0.64 -4.56 118.16 117.95 2a59 n LYS 46 Ca -0.03 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 2a59 n LYS 46 Cb 0.60 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 2a59 n LYS 46 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2a59 n HIS 47 N -2.49 0.00 -2.98 2.13 8.25 -0.48 -4.79 115.22 114.86 2a59 n HIS 47 Ca -0.05 -0.32 -0.22 0.00 -0.26 0.00 0.00 57.72 56.87 2a59 n HIS 47 Cb 0.61 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 31.72 2a59 n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2a59 n ASP 48 N -0.32 -6.00 -4.79 0.41 10.43 -0.94 -0.87 116.55 114.47 2a59 n ASP 48 Ca 0.00 -0.27 -0.37 0.00 2.57 0.00 0.00 54.79 56.73 2a59 n ASP 48 Cb 0.24 -4.87 -0.06 0.00 1.84 0.00 0.00 41.12 38.27 2a59 n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2a59 s VAL 49 N -3.16 4.28 -0.13 2.53 1.01 -0.84 -3.48 120.40 120.63 2a59 s VAL 49 Ca 0.28 1.72 -0.20 0.00 0.00 0.00 0.00 61.98 63.78 2a59 s VAL 49 Cb -0.13 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2a59 s VAL 49 CO 0.35 0.18 0.55 -0.54 0.00 0.00 0.00 175.10 175.64 2a59 s LYS 50 N -1.98 4.33 0.31 2.72 1.02 -1.26 -4.25 119.74 120.62 2a59 s LYS 50 Ca 0.48 0.57 0.07 0.00 0.02 0.00 0.00 55.97 57.11 2a59 s LYS 50 Cb -0.19 -3.47 0.85 0.00 -0.52 0.00 0.00 37.83 34.50 2a59 s LYS 50 CO 0.23 0.05 1.66 1.25 -0.92 0.00 0.00 175.35 177.62 2a59 h LEU 51 N 7.08 0.25 -2.16 3.17 6.46 -1.95 0.63 115.31 128.79 2a59 h LEU 51 Ca -0.39 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 2a59 h LEU 51 Cb 1.18 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.30 2a59 h LEU 51 CO 0.76 -0.12 -0.05 -0.33 -0.62 0.00 0.00 178.44 178.07 2a59 h GLU 52 N 0.29 0.00 -0.48 1.25 3.07 -2.00 -2.49 114.58 114.21 2a59 h GLU 52 Ca 0.62 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 2a59 h GLU 52 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 2a59 h GLU 52 CO -0.62 0.05 0.00 0.09 -1.40 0.00 0.00 179.01 177.14 2a59 n ASN 53 N -3.40 2.57 -4.13 1.42 5.03 0.22 -4.79 115.26 112.18 2a59 n ASN 53 Ca -0.02 -2.07 -0.33 0.00 0.87 0.00 0.00 54.58 53.03 2a59 n ASN 53 Cb 0.19 -0.34 -0.15 0.00 -1.02 0.00 0.00 39.78 38.47 2a59 n ASN 53 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2a59 s ILE 54 N -1.49 2.49 -0.07 2.41 1.01 -0.94 -1.52 121.20 123.09 2a59 s ILE 54 Ca 0.30 -1.28 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 2a59 s ILE 54 Cb 0.17 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 2a59 s ILE 54 CO 0.19 0.13 0.26 -1.81 0.00 0.00 0.00 174.94 173.71 2a59 s ASP 55 N 1.23 6.57 -0.24 3.58 1.01 -0.48 -5.01 116.67 123.33 2a59 s ASP 55 Ca -0.03 0.68 0.01 0.00 0.71 0.00 0.00 52.55 53.92 2a59 s ASP 55 Cb -0.18 -2.15 0.06 0.00 1.01 0.00 0.00 42.92 41.66 2a59 s ASP 55 CO -0.06 0.36 -0.06 -0.63 0.21 0.00 0.00 175.17 174.99 2a59 s ILE 56 N -0.98 1.64 0.38 0.77 1.01 -1.26 -0.79 121.20 121.98 2a59 s ILE 56 Ca 0.19 -1.29 0.08 0.00 0.00 0.00 0.00 60.65 59.63 2a59 s ILE 56 Cb -0.14 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2a59 s ILE 56 CO 0.08 -0.08 0.32 -1.61 0.00 0.00 0.00 174.94 173.65 2a59 s GLU 57 N 1.34 2.56 0.08 2.79 0.41 0.01 -5.00 118.70 120.89 2a59 s GLU 57 Ca -0.06 -1.48 -0.06 0.00 -0.41 0.00 0.00 54.97 52.96 2a59 s GLU 57 Cb -0.19 -2.36 -0.02 0.00 -1.78 0.00 0.00 34.13 29.78 2a59 s GLU 57 CO -0.06 -0.07 0.11 -1.54 -0.49 0.00 0.00 175.26 173.20 2a59 s SER 58 N -4.05 0.26 0.12 -0.19 1.04 -1.26 -2.44 113.70 107.18 2a59 s SER 58 Ca 0.45 -0.81 -0.00 0.00 0.48 0.00 0.00 55.95 56.07 2a59 s SER 58 Cb -0.03 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 2a59 s SER 58 CO 0.27 -0.68 0.02 0.68 0.98 0.00 0.00 173.24 174.51 2a59 s VAL 59 N -3.89 0.25 0.03 5.02 -7.23 -0.22 -4.90 120.40 109.45 2a59 s VAL 59 Ca 0.07 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.23 2a59 s VAL 59 Cb 0.06 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 2a59 s VAL 59 CO -0.10 -0.59 1.17 -0.65 -0.31 0.00 0.00 175.10 174.61 2a59 h PRO 60 N 2.90 -0.29 -5.06 4.82 0.11 -1.94 -1.87 132.00 130.68 2a59 h PRO 60 Ca -0.35 0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.26 2a59 h PRO 60 Cb 1.19 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 2a59 h PRO 60 CO 0.61 -0.19 -0.54 0.20 -0.21 0.00 0.00 178.00 177.87 2a59 s GLY 61 N -1.33 2.42 0.54 -0.55 0.00 -1.26 -1.00 107.32 106.13 2a59 s GLY 61 Ca -0.05 -1.48 0.24 0.00 0.00 0.00 0.00 44.72 43.43 2a59 s GLY 61 CO 0.18 -1.80 2.03 1.76 0.00 0.00 0.00 173.10 175.27 2a59 h SER 62 N 1.91 0.00 -0.44 1.64 0.02 -1.92 -0.93 113.55 113.83 2a59 h SER 62 Ca -0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2a59 h SER 62 Cb 1.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 2a59 h SER 62 CO 0.59 0.00 0.25 -0.25 -1.14 0.00 0.00 176.83 176.28 2a59 h TRP 63 N 0.00 0.63 0.00 3.45 2.91 -1.96 -2.04 115.95 118.94 2a59 h TRP 63 Ca 0.18 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.20 2a59 h TRP 63 Cb 0.77 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.22 2a59 h TRP 63 CO 0.00 0.45 0.00 0.39 -1.03 0.00 0.00 178.44 178.25 2a59 n GLU 64 N -4.41 0.08 0.06 2.65 4.71 -0.36 -4.20 120.64 119.17 2a59 n GLU 64 Ca 0.04 0.09 -0.15 0.00 -0.01 0.00 0.00 57.16 57.13 2a59 n GLU 64 Cb 0.11 -1.59 -0.08 0.00 -1.01 0.00 0.00 31.44 28.86 2a59 n GLU 64 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2a59 h LEU 65 N 0.00 -1.47 -0.60 -4.62 5.85 -1.40 0.46 115.31 113.53 2a59 h LEU 65 Ca 0.00 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2a59 h LEU 65 Cb 0.54 0.56 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 2a59 h LEU 65 CO 0.00 -0.49 0.33 -0.65 -0.34 0.00 0.00 178.44 177.28 2a59 h PRO 66 N -0.63 0.60 -0.58 5.25 0.11 -1.77 -0.62 132.00 134.36 2a59 h PRO 66 Ca 0.03 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 2a59 h PRO 66 Cb 0.69 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 2a59 h PRO 66 CO -0.34 0.40 0.03 1.96 -0.21 0.00 0.00 178.00 179.83 2a59 h GLN 67 N 0.62 1.00 -0.31 1.05 4.20 -1.71 -0.38 115.11 119.59 2a59 h GLN 67 Ca 0.27 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2a59 h GLN 67 Cb 0.15 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2a59 h GLN 67 CO -0.17 0.99 0.11 0.78 -0.67 0.00 0.00 178.83 179.87 2a59 h GLY 68 N 0.90 0.50 0.99 3.46 0.00 0.29 -2.07 103.07 107.14 2a59 h GLY 68 Ca 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2a59 h GLY 68 CO 0.02 0.26 0.33 -2.22 0.00 0.00 0.00 176.54 174.94 2a59 h ILE 69 N 0.35 1.17 -0.55 2.60 2.04 -0.92 -2.11 117.51 120.08 2a59 h ILE 69 Ca 0.10 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2a59 h ILE 69 Cb 0.20 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2a59 h ILE 69 CO -0.01 0.17 0.33 -0.09 0.00 0.00 0.00 178.15 178.55 2a59 h ARG 70 N 0.74 0.76 -0.15 2.37 2.43 -0.94 0.34 114.38 119.93 2a59 h ARG 70 Ca 0.20 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2a59 h ARG 70 Cb -0.01 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2a59 h ARG 70 CO -0.04 0.56 0.10 0.00 -1.51 0.00 0.00 179.97 179.08 2a59 h ALA 71 N 1.16 0.19 -0.58 2.80 0.00 -1.16 -2.60 119.26 119.06 2a59 h ALA 71 Ca 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2a59 h ALA 71 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2a59 h ALA 71 CO -0.04 -0.33 0.18 0.77 0.00 0.00 0.00 179.25 179.83 2a59 h SER 72 N 0.20 0.85 -0.40 0.00 0.02 -1.08 -2.30 113.55 110.83 2a59 h SER 72 Ca 0.06 -0.21 0.12 0.00 -0.84 0.00 0.00 61.79 60.91 2a59 h SER 72 Cb -0.02 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2a59 h SER 72 CO -0.02 0.84 0.29 0.40 -1.14 0.00 0.00 176.83 177.20 2a59 h ILE 73 N 0.82 0.77 0.21 3.27 1.08 -0.73 -0.81 117.51 122.12 2a59 h ILE 73 Ca 0.19 0.00 -0.32 0.00 -0.39 0.00 0.00 64.86 64.34 2a59 h ILE 73 Cb 0.29 0.79 0.03 0.00 -3.07 0.00 0.00 36.82 34.86 2a59 h ILE 73 CO -0.00 0.00 -1.41 0.00 -0.69 0.00 0.00 178.15 176.04 2a59 h ALA 74 N 1.79 -0.07 0.23 1.87 0.00 -1.07 -3.39 119.26 118.63 2a59 h ALA 74 Ca 0.19 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2a59 h ALA 74 Cb 0.78 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2a59 h ALA 74 CO -0.00 0.80 -0.11 0.00 0.00 0.00 0.00 179.25 179.93 2a59 h ARG 75 N 0.12 -0.30 0.00 0.00 2.47 -0.64 -3.47 114.38 112.55 2a59 h ARG 75 Ca -0.22 0.02 -0.22 0.00 -1.26 0.00 0.00 59.98 58.30 2a59 h ARG 75 Cb 2.11 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 30.48 2a59 h ARG 75 CO 0.25 -0.20 -0.11 0.09 0.56 0.00 0.00 179.97 180.56 2a59 n ASN 76 N -3.01 1.70 -4.31 7.04 3.02 -0.72 -5.12 115.26 113.86 2a59 n ASN 76 Ca -0.04 -1.72 -0.33 0.00 -0.03 0.00 0.00 54.58 52.46 2a59 n ASN 76 Cb 0.12 -0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.14 2a59 n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a59 s THR 77 N -1.05 2.80 0.11 3.41 2.01 -1.26 -4.62 115.64 117.04 2a59 s THR 77 Ca 0.11 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.42 2a59 s THR 77 Cb -0.01 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 2a59 s THR 77 CO 0.07 0.52 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.10 2a59 s TYR 78 N 0.54 1.21 -0.13 4.92 2.02 -1.26 -4.91 117.35 119.74 2a59 s TYR 78 Ca -0.10 -0.63 0.18 0.00 -0.37 0.00 0.00 57.07 56.15 2a59 s TYR 78 Cb -0.16 -0.64 -0.15 0.00 -0.40 0.00 0.00 41.96 40.61 2a59 s TYR 78 CO 0.04 0.06 0.75 -0.25 -1.57 0.00 0.00 175.55 174.58 2a59 n ASP 79 N 0.44 0.71 -3.50 2.29 9.92 0.76 -4.96 116.55 122.20 2a59 n ASP 79 Ca -0.15 0.31 -0.12 0.00 -0.53 0.00 0.00 54.79 54.30 2a59 n ASP 79 Cb 0.58 0.41 -0.04 0.00 -0.64 0.00 0.00 41.12 41.44 2a59 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a59 s ALA 80 N -2.97 -1.77 0.03 2.24 0.00 -1.23 -4.23 121.76 113.82 2a59 s ALA 80 Ca -0.04 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.02 2a59 s ALA 80 Cb 0.09 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 2a59 s ALA 80 CO 0.82 -0.55 -0.07 0.54 0.00 0.00 0.00 175.76 176.50 2a59 s VAL 81 N -2.36 0.50 -0.16 0.00 0.11 -0.44 -1.46 120.40 116.59 2a59 s VAL 81 Ca -0.02 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 2a59 s VAL 81 Cb -0.01 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 2a59 s VAL 81 CO -0.03 -0.23 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.67 2a59 s ILE 82 N -1.00 2.10 -0.27 7.04 1.01 -0.07 -0.17 121.20 129.84 2a59 s ILE 82 Ca -0.06 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.50 2a59 s ILE 82 Cb -0.08 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 2a59 s ILE 82 CO 0.00 0.54 0.34 -0.83 0.00 0.00 0.00 174.94 174.99 2a59 s GLY 83 N 1.05 1.89 -0.11 6.18 0.00 -0.51 -1.81 107.32 114.00 2a59 s GLY 83 Ca -0.01 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.86 2a59 s GLY 83 CO -0.07 0.92 -0.22 -0.42 0.00 0.00 0.00 173.10 173.31 2a59 s ILE 84 N 2.02 1.95 0.15 0.90 1.01 -0.09 0.62 121.20 127.76 2a59 s ILE 84 Ca 0.13 -0.94 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 2a59 s ILE 84 Cb -0.16 -1.71 0.07 0.00 0.01 0.00 0.00 42.46 40.67 2a59 s ILE 84 CO 0.10 0.53 0.58 -0.83 0.00 0.00 0.00 174.94 175.33 2a59 s GLY 85 N 0.58 -0.58 -0.15 6.18 0.00 -0.60 -1.37 107.32 111.39 2a59 s GLY 85 Ca -0.13 0.47 -0.01 0.00 0.00 0.00 0.00 44.72 45.05 2a59 s GLY 85 CO 0.04 0.15 -0.05 0.14 0.00 0.00 0.00 173.10 173.38 2a59 s VAL 86 N -3.62 1.01 -0.18 1.40 1.01 -1.26 -1.18 120.40 117.57 2a59 s VAL 86 Ca 0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 2a59 s VAL 86 Cb -0.01 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2a59 s VAL 86 CO -0.12 0.15 -0.03 -0.76 0.00 0.00 0.00 175.10 174.34 2a59 s LEU 87 N 1.68 3.17 -0.08 3.92 1.43 0.64 -4.80 118.68 124.65 2a59 s LEU 87 Ca 0.01 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2a59 s LEU 87 Cb -0.15 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 2a59 s LEU 87 CO -0.08 0.10 -0.16 -0.63 0.23 0.00 0.00 176.35 175.81 2a59 s ILE 88 N 0.78 2.86 0.20 -0.59 1.01 -1.26 -1.30 121.20 122.90 2a59 s ILE 88 Ca -0.01 -0.77 -0.33 0.00 0.00 0.00 0.00 60.65 59.55 2a59 s ILE 88 Cb -0.14 -2.14 -0.13 0.00 0.01 0.00 0.00 42.46 40.06 2a59 s ILE 88 CO 0.02 0.56 1.68 1.17 0.00 0.00 0.00 174.94 178.37 2a59 n LYS 89 N 2.90 2.59 0.00 2.79 0.00 -0.59 -4.84 118.16 121.00 2a59 n LYS 89 Ca -0.18 0.93 0.00 0.00 0.00 0.00 0.00 58.31 59.07 2a59 n LYS 89 Cb 0.52 -2.76 0.00 0.00 0.00 0.00 0.00 35.03 32.80 2a59 n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a59 n GLY 90 N 3.78 3.49 0.04 3.14 0.00 -1.26 -4.82 105.19 109.56 2a59 n GLY 90 Ca 0.16 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.47 2a59 n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a59 n SER 91 N 0.00 0.63 -2.76 1.61 7.64 -1.26 -4.95 113.62 114.53 2a59 n SER 91 Ca 0.00 -0.16 -0.07 0.00 1.01 0.00 0.00 58.87 59.64 2a59 n SER 91 Cb 0.00 0.64 -0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2a59 n SER 91 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2a59 n THR 92 N -1.95 0.00 1.48 0.44 -2.24 -1.26 -5.01 114.28 105.73 2a59 n THR 92 Ca 0.02 -0.59 0.12 0.00 -2.27 0.00 0.00 64.05 61.33 2a59 n THR 92 Cb 0.43 -0.36 0.50 0.00 -2.10 0.00 0.00 70.33 68.80 2a59 n THR 92 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2a59 n MET 93 N -0.83 1.56 -0.20 -0.78 0.00 -1.26 -4.29 117.12 111.32 2a59 n MET 93 Ca -0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 57.70 56.85 2a59 n MET 93 Cb 0.17 -1.42 0.05 0.00 0.00 0.00 0.00 33.22 32.02 2a59 n MET 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2a59 h HIS 94 N 1.82 -0.32 -0.35 2.03 -0.00 -1.97 -2.07 115.15 114.29 2a59 h HIS 94 Ca 0.00 0.05 0.05 0.00 -0.00 0.00 0.00 60.37 60.48 2a59 h HIS 94 Cb 0.39 0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 27.99 2a59 h HIS 94 CO 0.05 -0.26 0.06 0.35 -0.00 0.00 0.00 177.93 178.13 2a59 h PHE 95 N -0.00 0.09 -0.08 5.26 3.57 -1.89 -1.12 116.94 122.77 2a59 h PHE 95 Ca 0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.81 2a59 h PHE 95 Cb 0.43 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 2a59 h PHE 95 CO -0.49 0.00 0.05 0.93 -2.23 0.00 0.00 178.31 176.57 2a59 h GLU 96 N 0.17 0.10 -0.39 1.11 3.07 -1.70 -1.30 114.58 115.65 2a59 h GLU 96 Ca 0.17 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.88 2a59 h GLU 96 Cb 0.20 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2a59 h GLU 96 CO -0.23 0.07 -0.32 1.88 -1.40 0.00 0.00 179.01 179.02 2a59 h TYR 97 N 0.10 1.06 -0.38 4.33 0.05 -1.28 -2.28 116.97 118.57 2a59 h TYR 97 Ca 0.03 -0.30 -0.04 0.00 0.05 0.00 0.00 58.73 58.47 2a59 h TYR 97 Cb -0.01 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 2a59 h TYR 97 CO -0.07 1.11 0.08 0.82 -1.05 0.00 0.00 178.16 179.05 2a59 h ILE 98 N 0.71 1.23 0.00 -2.88 2.04 -1.20 -2.02 117.51 115.39 2a59 h ILE 98 Ca 0.07 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.15 2a59 h ILE 98 Cb 0.90 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 2a59 h ILE 98 CO 0.08 0.28 -0.18 0.28 0.00 0.00 0.00 178.15 178.61 2a59 h SER 99 N 0.48 -0.52 -0.71 1.72 0.02 -1.19 0.86 113.55 114.20 2a59 h SER 99 Ca 0.12 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2a59 h SER 99 Cb 0.33 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 2a59 h SER 99 CO 0.00 -0.24 0.45 -0.08 -1.14 0.00 0.00 176.83 175.82 2a59 h GLU 100 N -0.29 0.85 -0.32 3.45 4.81 -1.36 -1.60 114.58 120.11 2a59 h GLU 100 Ca 0.05 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2a59 h GLU 100 Cb 0.36 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2a59 h GLU 100 CO -0.17 0.56 -0.33 0.00 -0.73 0.00 0.00 179.01 178.35 2a59 h ALA 101 N 1.30 0.83 -0.25 2.92 0.00 -0.92 -2.39 119.26 120.74 2a59 h ALA 101 Ca 0.28 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 2a59 h ALA 101 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2a59 h ALA 101 CO -0.10 0.64 -0.53 0.28 0.00 0.00 0.00 179.25 179.54 2a59 h VAL 102 N 0.59 1.29 -0.33 0.00 2.07 -0.55 -0.89 116.25 118.43 2a59 h VAL 102 Ca 0.06 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 2a59 h VAL 102 Cb 0.84 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2a59 h VAL 102 CO 0.07 0.56 0.12 0.58 0.02 0.00 0.00 177.57 178.92 2a59 h VAL 103 N 0.55 1.19 -0.72 2.57 2.07 -1.28 -0.05 116.25 120.58 2a59 h VAL 103 Ca 0.00 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 2a59 h VAL 103 Cb 1.14 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2a59 h VAL 103 CO 0.12 0.20 0.23 0.45 0.02 0.00 0.00 177.57 178.59 2a59 h HIS 104 N 0.38 1.13 -0.36 1.57 -0.00 -1.43 -2.40 115.15 114.05 2a59 h HIS 104 Ca 0.11 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2a59 h HIS 104 Cb 0.20 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 2a59 h HIS 104 CO -0.00 0.89 0.24 0.78 -0.00 0.00 0.00 177.93 179.84 2a59 h GLY 105 N 1.10 0.50 1.01 2.45 0.00 -0.64 -0.11 103.07 107.38 2a59 h GLY 105 Ca 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2a59 h GLY 105 CO -0.01 0.19 0.25 1.41 0.00 0.00 0.00 176.54 178.38 2a59 h LEU 106 N 0.48 0.87 -0.66 3.11 3.38 -0.87 -0.70 115.31 120.93 2a59 h LEU 106 Ca 0.13 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2a59 h LEU 106 Cb -0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2a59 h LEU 106 CO -0.03 0.81 0.30 -0.03 0.09 0.00 0.00 178.44 179.58 2a59 h MET 107 N 0.89 0.96 -0.04 1.13 4.05 -1.10 -2.09 114.93 118.73 2a59 h MET 107 Ca 0.21 -0.15 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2a59 h MET 107 Cb 0.21 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.84 2a59 h MET 107 CO -0.02 0.78 0.02 -0.09 0.23 0.00 0.00 176.91 177.83 2a59 h ARG 108 N 0.92 0.06 -0.83 0.39 2.43 -0.48 -1.23 114.38 115.63 2a59 h ARG 108 Ca 0.22 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.47 2a59 h ARG 108 Cb 0.15 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 2a59 h ARG 108 CO -0.03 0.12 0.48 0.28 -1.51 0.00 0.00 179.97 179.32 2a59 h VAL 109 N -0.02 0.94 -0.28 0.20 2.07 -0.95 0.41 116.25 118.62 2a59 h VAL 109 Ca 0.01 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 2a59 h VAL 109 Cb 0.08 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 2a59 h VAL 109 CO -0.00 0.15 -0.06 1.23 0.02 0.00 0.00 177.57 178.91 2a59 h GLY 110 N 0.83 0.57 1.23 2.17 0.00 -1.15 -1.56 103.07 105.16 2a59 h GLY 110 Ca 0.39 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 2a59 h GLY 110 CO -0.23 0.43 -0.20 1.41 0.00 0.00 0.00 176.54 177.95 2a59 h LEU 111 N 0.29 0.90 -0.22 3.11 3.38 -0.63 0.23 115.31 122.36 2a59 h LEU 111 Ca 0.07 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2a59 h LEU 111 Cb 0.54 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2a59 h LEU 111 CO 0.03 1.07 0.05 0.44 0.09 0.00 0.00 178.44 180.12 2a59 h ASP 112 N 0.77 0.34 1.24 -0.43 3.32 -0.18 -3.29 116.42 118.19 2a59 h ASP 112 Ca 0.11 -0.24 -0.13 0.00 0.02 0.00 0.00 57.03 56.79 2a59 h ASP 112 Cb 0.74 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2a59 h ASP 112 CO 0.06 0.49 -0.79 0.77 -1.72 0.00 0.00 179.24 178.04 2a59 h SER 113 N 0.17 0.00 0.00 6.45 4.64 -1.27 -3.48 113.55 120.07 2a59 h SER 113 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2a59 h SER 113 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2a59 h SER 113 CO 0.00 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 2a59 n GLY 114 N 1.28 0.87 3.68 -0.77 0.00 0.06 -5.02 105.19 105.30 2a59 n GLY 114 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2a59 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a59 s VAL 115 N -3.44 5.22 0.15 1.61 1.01 -1.20 -5.03 120.40 118.71 2a59 s VAL 115 Ca 0.00 0.69 -0.32 0.00 0.00 0.00 0.00 61.98 62.35 2a59 s VAL 115 Cb 0.00 -3.72 -0.12 0.00 0.00 0.00 0.00 36.38 32.54 2a59 s VAL 115 CO 0.00 0.28 1.74 -2.65 0.00 0.00 0.00 175.10 174.47 2a59 n PRO 116 N 4.24 2.60 -4.01 2.72 -0.02 -1.26 -4.46 135.00 134.81 2a59 n PRO 116 Ca -0.09 0.94 -0.34 0.00 -2.02 0.00 0.00 63.50 61.99 2a59 n PRO 116 Cb 0.51 -2.79 -0.15 0.00 -0.02 0.00 0.00 33.50 31.06 2a59 n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2a59 s VAL 117 N 1.81 2.63 -0.03 -1.45 1.01 -1.26 -1.33 120.40 121.78 2a59 s VAL 117 Ca 0.79 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 2a59 s VAL 117 Cb -0.55 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2a59 s VAL 117 CO 0.36 0.28 0.60 -0.63 0.00 0.00 0.00 175.10 175.72 2a59 s ILE 118 N 1.30 4.96 -0.64 2.22 1.09 0.76 -4.98 121.20 125.92 2a59 s ILE 118 Ca 0.01 1.25 -0.24 0.00 -1.10 0.00 0.00 60.65 60.56 2a59 s ILE 118 Cb -0.16 -3.94 0.05 0.00 -1.06 0.00 0.00 42.46 37.35 2a59 s ILE 118 CO -0.07 0.38 1.05 -0.22 -0.10 0.00 0.00 174.94 175.98 2a59 s LEU 119 N 0.07 3.96 -0.52 2.97 2.96 -1.26 -1.43 118.68 125.43 2a59 s LEU 119 Ca 0.32 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2a59 s LEU 119 Cb -0.18 -2.62 0.44 0.00 0.50 0.00 0.00 46.19 44.33 2a59 s LEU 119 CO 0.17 -1.47 1.63 0.61 -1.32 0.00 0.00 176.35 175.96 2a59 n GLY 120 N 5.26 6.07 3.69 7.98 0.00 0.20 -4.97 105.19 123.43 2a59 n GLY 120 Ca 0.00 -2.50 -0.36 0.00 0.00 0.00 0.00 46.02 43.16 2a59 n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a59 s LEU 121 N -3.74 4.16 -0.17 0.99 0.20 -1.23 -1.56 118.68 117.34 2a59 s LEU 121 Ca 0.57 0.21 -0.05 0.00 0.69 0.00 0.00 54.13 55.55 2a59 s LEU 121 Cb 0.46 -2.15 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 2a59 s LEU 121 CO -0.03 0.10 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.35 2a59 s LEU 122 N 0.80 3.34 -0.49 -0.68 1.43 -0.33 -4.96 118.68 117.79 2a59 s LEU 122 Ca 0.09 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2a59 s LEU 122 Cb -0.13 -1.82 0.13 0.00 0.03 0.00 0.00 46.19 44.40 2a59 s LEU 122 CO 0.02 0.15 0.23 0.42 0.23 0.00 0.00 176.35 177.41 2a59 s THR 123 N 0.50 2.36 0.36 5.49 -4.23 -1.26 -0.26 115.64 118.61 2a59 s THR 123 Ca -0.02 -3.10 0.08 0.00 -1.18 0.00 0.00 61.69 57.48 2a59 s THR 123 Cb -0.14 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.00 2a59 s THR 123 CO 0.02 -0.79 0.12 0.68 -0.54 0.00 0.00 174.62 174.11 2a59 s VAL 124 N -0.06 2.68 -0.23 2.29 -7.23 -0.42 -5.02 120.40 112.41 2a59 s VAL 124 Ca 0.16 -1.77 0.18 0.00 -1.81 0.00 0.00 61.98 58.75 2a59 s VAL 124 Cb -0.25 -2.93 0.08 0.00 0.56 0.00 0.00 36.38 33.84 2a59 s VAL 124 CO -0.01 -0.13 1.31 -0.07 -0.31 0.00 0.00 175.10 175.89 2a59 h LEU 125 N 1.58 0.00 -7.74 1.32 -0.00 -1.93 -1.58 115.31 106.96 2a59 h LEU 125 Ca -0.43 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.56 2a59 h LEU 125 Cb 1.25 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.84 2a59 h LEU 125 CO 0.66 0.33 0.34 0.54 -0.00 0.00 0.00 178.44 180.32 2a59 s ASN 126 N -6.12 -0.26 0.19 -0.43 2.20 -1.26 -4.15 114.94 105.11 2a59 s ASN 126 Ca 0.03 -0.45 -0.13 0.00 -0.94 0.00 0.00 52.86 51.37 2a59 s ASN 126 Cb 0.07 0.61 0.21 0.00 -2.00 0.00 0.00 41.25 40.14 2a59 s ASN 126 CO 0.75 -1.11 1.67 -0.33 -2.94 0.00 0.00 177.10 175.14 2a59 h GLU 127 N 2.00 0.10 -0.67 3.55 4.39 -1.96 -2.61 114.58 119.37 2a59 h GLU 127 Ca -0.22 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.61 2a59 h GLU 127 Cb 1.25 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.77 2a59 h GLU 127 CO 0.26 0.06 0.14 0.93 -1.16 0.00 0.00 179.01 179.24 2a59 h GLU 128 N 0.10 0.24 -0.69 2.33 3.07 -1.99 0.45 114.58 118.09 2a59 h GLU 128 Ca 0.27 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 2a59 h GLU 128 Cb 0.41 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 2a59 h GLU 128 CO -0.45 0.16 0.44 1.96 -1.40 0.00 0.00 179.01 179.72 2a59 h GLN 129 N 0.25 0.91 0.35 2.33 4.20 -1.89 -0.43 115.11 120.83 2a59 h GLN 129 Ca 0.37 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 59.00 2a59 h GLN 129 Cb 0.59 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2a59 h GLN 129 CO -0.47 0.62 -0.17 0.00 -0.67 0.00 0.00 178.83 178.14 2a59 h ALA 130 N 1.55 -0.47 -0.80 3.87 0.00 -0.93 -2.57 119.26 119.91 2a59 h ALA 130 Ca 0.25 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.11 2a59 h ALA 130 Cb -0.09 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 2a59 h ALA 130 CO -0.05 -0.58 0.38 -0.07 0.00 0.00 0.00 179.25 178.93 2a59 h LEU 131 N -0.85 0.44 -0.80 0.00 4.07 -1.00 -1.35 115.31 115.82 2a59 h LEU 131 Ca -0.05 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2a59 h LEU 131 Cb 0.53 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 2a59 h LEU 131 CO 0.08 0.19 0.51 0.22 -1.08 0.00 0.00 178.44 178.36 2a59 h TYR 132 N 0.56 1.02 -0.00 1.13 3.20 -1.05 -0.78 116.97 121.05 2a59 h TYR 132 Ca 0.43 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.32 2a59 h TYR 132 Cb 0.60 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2a59 h TYR 132 CO -0.12 0.65 -0.00 0.54 -1.64 0.00 0.00 178.16 177.60 2a59 n ARG 133 N -4.51 0.68 -0.28 1.82 1.74 -0.59 -2.34 116.66 113.17 2a59 n ARG 133 Ca 0.08 -0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 2a59 n ARG 133 Cb 0.03 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.24 2a59 n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a59 n ALA 134 N -1.16 2.40 -0.49 7.54 0.00 -0.36 -1.65 120.51 126.79 2a59 n ALA 134 Ca 0.19 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.50 2a59 n ALA 134 Cb 0.18 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2a59 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a59 n GLY 135 N 1.57 0.74 3.95 0.00 0.00 -0.99 -4.51 105.19 105.96 2a59 n GLY 135 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 2a59 n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a59 s LEU 136 N 0.00 3.02 -1.64 0.99 1.02 -0.81 -4.14 118.68 117.13 2a59 s LEU 136 Ca 0.00 0.24 -0.09 0.00 0.02 0.00 0.00 54.13 54.29 2a59 s LEU 136 Cb 0.00 -2.98 0.09 0.00 0.02 0.00 0.00 46.19 43.31 2a59 s LEU 136 CO 0.00 -1.40 0.36 0.59 0.02 0.00 0.00 176.35 175.92 2a59 n ASN 137 N -2.67 -0.69 0.00 2.29 5.03 -1.26 -0.42 115.26 117.54 2a59 n ASN 137 Ca 0.08 -1.18 0.00 0.00 0.87 0.00 0.00 54.58 54.35 2a59 n ASN 137 Cb 0.60 -2.05 0.00 0.00 -1.02 0.00 0.00 39.78 37.31 2a59 n ASN 137 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a59 n GLY 138 N -1.89 0.94 3.93 7.41 0.00 -1.26 -4.97 105.19 109.35 2a59 n GLY 138 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 2a59 n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a59 s GLY 139 N -1.81 1.70 -0.19 -0.02 0.00 0.44 -5.06 107.32 102.38 2a59 s GLY 139 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 2a59 s GLY 139 CO 0.00 -0.51 0.17 -1.58 0.00 0.00 0.00 173.10 171.18 2a59 s HIS 140 N -3.44 3.42 -0.27 1.90 5.65 -1.21 -4.24 115.29 117.10 2a59 s HIS 140 Ca 0.64 0.39 -0.29 0.00 0.25 0.00 0.00 55.06 56.05 2a59 s HIS 140 Cb -0.09 -2.20 -0.01 0.00 -1.18 0.00 0.00 32.58 29.11 2a59 s HIS 140 CO 0.47 0.28 1.47 1.21 -0.65 0.00 0.00 174.74 177.53 2a59 s ASN 141 N 0.37 6.49 0.46 9.88 3.84 -1.26 -3.47 114.94 131.24 2a59 s ASN 141 Ca 0.10 1.38 0.29 0.00 0.21 0.00 0.00 52.86 54.84 2a59 s ASN 141 Cb -0.11 -2.54 1.00 0.00 -0.55 0.00 0.00 41.25 39.05 2a59 s ASN 141 CO -0.01 -1.21 1.83 0.45 -2.79 0.00 0.00 177.10 175.38 2a59 h HIS 142 N 10.17 0.00 -0.29 0.43 3.86 -1.62 -3.01 115.15 124.69 2a59 h HIS 142 Ca -0.30 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.91 2a59 h HIS 142 Cb 1.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 2a59 h HIS 142 CO 0.90 0.00 0.18 0.78 0.86 0.00 0.00 177.93 180.65 2a59 h GLY 143 N 2.80 0.42 0.71 2.45 0.00 -1.81 -2.06 103.07 105.57 2a59 h GLY 143 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.18 2a59 h GLY 143 CO 0.00 0.16 -0.16 3.43 0.00 0.00 0.00 176.54 179.96 2a59 h ASN 144 N 0.40 -0.45 -0.92 0.19 -0.26 -1.66 0.29 115.58 113.16 2a59 h ASN 144 Ca 0.11 0.05 0.06 0.00 -0.56 0.00 0.00 56.30 55.96 2a59 h ASN 144 Cb -0.02 0.17 -0.06 0.00 -1.06 0.00 0.00 38.32 37.35 2a59 h ASN 144 CO -0.02 -0.24 0.58 0.44 -1.06 0.00 0.00 177.43 177.14 2a59 h ASP 145 N -0.32 0.93 -0.70 5.81 3.32 -1.57 -0.76 116.42 123.14 2a59 h ASP 145 Ca 0.02 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2a59 h ASP 145 Cb 0.34 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2a59 h ASP 145 CO -0.09 0.60 0.32 -0.50 -1.72 0.00 0.00 179.24 177.84 2a59 h TRP 146 N 1.07 1.04 -0.05 4.55 6.55 -0.78 -0.51 115.95 127.82 2a59 h TRP 146 Ca 0.40 -0.06 0.02 0.00 0.95 0.00 0.00 58.89 60.20 2a59 h TRP 146 Cb 0.16 -0.32 -0.02 0.00 -0.86 0.00 0.00 29.16 28.12 2a59 h TRP 146 CO -0.02 0.78 -0.05 0.78 -1.05 0.00 0.00 178.44 178.88 2a59 h GLY 147 N 1.09 -0.01 1.02 1.49 0.00 0.51 -0.16 103.07 107.00 2a59 h GLY 147 Ca 0.24 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 2a59 h GLY 147 CO -0.03 -0.06 0.34 1.76 0.00 0.00 0.00 176.54 178.55 2a59 h SER 148 N -0.07 0.95 -0.63 0.19 0.02 -1.03 -2.34 113.55 110.64 2a59 h SER 148 Ca 0.04 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2a59 h SER 148 Cb 0.12 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 2a59 h SER 148 CO -0.09 0.82 0.38 0.00 -1.14 0.00 0.00 176.83 176.80 2a59 h ALA 149 N 1.17 0.81 -0.10 3.77 0.00 -0.71 -0.96 119.26 123.23 2a59 h ALA 149 Ca 0.25 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2a59 h ALA 149 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2a59 h ALA 149 CO -0.03 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.51 2a59 h ALA 150 N 1.19 0.09 -0.20 0.00 0.00 -0.77 -0.07 119.26 119.51 2a59 h ALA 150 Ca 0.23 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2a59 h ALA 150 Cb -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2a59 h ALA 150 CO -0.04 -0.46 0.09 0.28 0.00 0.00 0.00 179.25 179.12 2a59 h VAL 151 N 0.04 0.98 -0.09 0.00 2.07 -1.14 -0.09 116.25 118.02 2a59 h VAL 151 Ca 0.05 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.51 2a59 h VAL 151 Cb 0.05 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2a59 h VAL 151 CO -0.08 0.03 0.02 -0.08 0.02 0.00 0.00 177.57 177.49 2a59 h GLU 152 N 0.19 0.06 -0.12 1.57 4.81 -0.90 -1.94 114.58 118.25 2a59 h GLU 152 Ca 0.08 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2a59 h GLU 152 Cb 0.03 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2a59 h GLU 152 CO -0.07 0.04 -0.27 0.52 -0.73 0.00 0.00 179.01 178.50 2a59 h MET 153 N 0.06 0.22 -0.39 1.92 2.86 -0.85 -1.59 114.93 117.17 2a59 h MET 153 Ca 0.04 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 2a59 h MET 153 Cb 0.03 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2a59 h MET 153 CO -0.05 0.48 0.10 0.78 1.06 0.00 0.00 176.91 179.29 2a59 h GLY 154 N 0.98 0.67 0.69 8.32 0.00 -0.66 -1.79 103.07 111.28 2a59 h GLY 154 Ca 0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2a59 h GLY 154 CO 0.04 0.38 -0.01 1.41 0.00 0.00 0.00 176.54 178.37 2a59 h LEU 155 N 0.49 -0.01 -2.74 3.11 3.38 -1.16 -2.59 115.31 115.79 2a59 h LEU 155 Ca 0.12 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2a59 h LEU 155 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2a59 h LEU 155 CO -0.00 0.29 0.02 0.11 0.09 0.00 0.00 178.44 178.96 2a59 h LYS 156 N -0.32 0.00 0.00 1.13 1.57 -1.24 0.67 116.57 118.38 2a59 h LYS 156 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2a59 h LYS 156 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2a59 h LYS 156 CO 0.00 0.00 -0.84 0.00 -0.57 0.00 0.00 179.45 178.04 2a59 h ALA 157 N 1.95 0.60 -0.02 3.86 0.00 -0.92 -3.51 119.26 121.23 2a59 h ALA 157 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2a59 h ALA 157 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2a59 h ALA 157 CO 0.00 0.99 0.00 1.28 0.00 0.00 0.00 179.25 181.52