#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a58 s LYS 14 N 0.00 1.66 -0.46 3.23 -0.14 -1.26 -4.35 119.74 118.42 2a58 s LYS 14 Ca 0.00 -0.68 0.08 0.00 -1.36 0.00 0.00 55.97 54.01 2a58 s LYS 14 Cb 0.00 -1.55 0.27 0.00 -1.68 0.00 0.00 37.83 34.87 2a58 s LYS 14 CO 0.00 0.37 0.62 0.41 -0.76 0.00 0.00 175.35 176.00 2a58 n GLY 15 N 2.75 3.57 0.25 -3.33 0.00 0.13 -4.94 105.19 103.62 2a58 n GLY 15 Ca -0.16 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 43.99 2a58 n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a58 h PRO 16 N 3.87 0.04 0.00 1.61 0.11 -1.73 -2.65 132.00 133.25 2a58 h PRO 16 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2a58 h PRO 16 Cb 0.82 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2a58 h PRO 16 CO 0.58 0.09 -0.72 0.39 -0.21 0.00 0.00 178.00 178.12 2a58 n GLU 17 N -4.46 0.03 -1.93 1.05 1.02 -1.26 -4.37 120.64 110.72 2a58 n GLU 17 Ca -0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.70 2a58 n GLU 17 Cb 0.14 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 2a58 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2a58 s LEU 18 N -3.11 4.37 -0.21 -4.62 1.43 -1.00 -5.01 118.68 110.54 2a58 s LEU 18 Ca 0.09 2.81 -0.04 0.00 -1.03 0.00 0.00 54.13 55.96 2a58 s LEU 18 Cb 0.17 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 2a58 s LEU 18 CO 0.77 -0.76 -0.03 -0.13 0.23 0.00 0.00 176.35 176.42 2a58 s ARG 19 N -0.92 3.47 -0.02 1.70 0.52 -1.26 -4.72 118.95 117.72 2a58 s ARG 19 Ca 0.58 -0.59 0.07 0.00 -0.52 0.00 0.00 55.73 55.26 2a58 s ARG 19 Cb -0.44 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 2a58 s ARG 19 CO 0.49 -0.08 -0.22 0.42 0.02 0.00 0.00 175.30 175.93 2a58 s ILE 20 N 1.21 1.73 -0.09 1.52 1.01 -0.22 -0.32 121.20 126.04 2a58 s ILE 20 Ca 0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 2a58 s ILE 20 Cb -0.14 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2a58 s ILE 20 CO -0.00 0.49 -0.03 -0.22 0.00 0.00 0.00 174.94 175.18 2a58 s LEU 21 N -0.44 3.38 -0.22 2.97 2.96 -0.54 -1.56 118.68 125.23 2a58 s LEU 21 Ca 0.06 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2a58 s LEU 21 Cb -0.09 -1.77 0.06 0.00 0.50 0.00 0.00 46.19 44.89 2a58 s LEU 21 CO -0.00 0.34 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.73 2a58 s ILE 22 N -0.67 1.13 -0.19 6.68 1.01 -0.23 -0.47 121.20 128.48 2a58 s ILE 22 Ca 0.10 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 2a58 s ILE 22 Cb -0.12 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 2a58 s ILE 22 CO 0.02 -0.17 -0.01 -0.69 0.00 0.00 0.00 174.94 174.10 2a58 s VAL 23 N 1.57 4.00 0.08 2.92 1.01 -0.76 -1.35 120.40 127.87 2a58 s VAL 23 Ca -0.03 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.69 2a58 s VAL 23 Cb -0.18 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 2a58 s VAL 23 CO -0.07 0.45 -0.14 -1.38 0.00 0.00 0.00 175.10 173.96 2a58 s HIS 24 N 0.78 1.20 0.85 5.22 -3.43 -1.10 -1.00 115.29 117.81 2a58 s HIS 24 Ca 0.00 -0.48 -0.11 0.00 -0.80 0.00 0.00 55.06 53.67 2a58 s HIS 24 Cb -0.14 -0.67 0.14 0.00 -1.43 0.00 0.00 32.58 30.48 2a58 s HIS 24 CO 0.02 0.05 1.19 0.00 -2.00 0.00 0.00 174.74 174.01 2a58 s ALA 25 N -1.41 2.71 -0.45 -1.38 0.00 -0.46 -1.63 121.76 119.14 2a58 s ALA 25 Ca -0.01 -1.15 0.11 0.00 0.00 0.00 0.00 51.96 50.91 2a58 s ALA 25 Cb -0.09 -2.65 -0.12 0.00 0.00 0.00 0.00 23.12 20.25 2a58 s ALA 25 CO 0.02 -1.95 0.43 0.54 0.00 0.00 0.00 175.76 174.80 2a58 n ARG 26 N -3.39 3.08 -2.48 0.00 1.74 -0.72 -4.81 116.66 110.07 2a58 n ARG 26 Ca 0.13 -0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.81 2a58 n ARG 26 Cb 0.60 -1.04 -0.04 0.00 -1.02 0.00 0.00 32.46 30.96 2a58 n ARG 26 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2a58 s TYR 27 N -2.11 3.42 -0.89 -1.55 1.51 -1.24 -3.51 117.35 112.98 2a58 s TYR 27 Ca 0.03 1.67 -0.00 0.00 -1.01 0.00 0.00 57.07 57.76 2a58 s TYR 27 Cb 0.08 -3.23 0.00 0.00 -0.11 0.00 0.00 41.96 38.70 2a58 s TYR 27 CO 0.44 -0.64 0.74 0.09 -1.11 0.00 0.00 175.55 175.08 2a58 n ASN 28 N 0.62 -2.04 0.34 2.29 3.02 -1.26 -4.65 115.26 113.57 2a58 n ASN 28 Ca 0.02 -0.46 0.23 0.00 -0.03 0.00 0.00 54.58 54.33 2a58 n ASN 28 Cb 0.47 -3.95 1.22 0.00 -0.61 0.00 0.00 39.78 36.91 2a58 n ASN 28 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2a58 h LEU 29 N -1.42 0.00 -0.91 3.41 5.85 -1.92 -1.33 115.31 118.99 2a58 h LEU 29 Ca -0.44 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 2a58 h LEU 29 Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2a58 h LEU 29 CO 0.37 0.00 -0.29 1.56 -0.34 0.00 0.00 178.44 179.74 2a58 h GLN 30 N 0.00 0.45 0.02 1.25 4.20 -1.92 -1.88 115.11 117.24 2a58 h GLN 30 Ca -0.00 -0.18 -0.32 0.00 0.06 0.00 0.00 58.65 58.20 2a58 h GLN 30 Cb 0.00 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 2a58 h GLN 30 CO 0.00 0.70 -1.92 0.00 -0.67 0.00 0.00 178.83 176.94 2a58 n ALA 31 N -2.49 1.38 -0.11 3.87 0.00 -0.64 -4.40 120.51 118.12 2a58 n ALA 31 Ca -0.01 -0.85 -0.11 0.00 0.00 0.00 0.00 53.44 52.47 2a58 n ALA 31 Cb 0.43 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 2a58 n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2a58 h ILE 32 N 0.01 1.27 0.02 0.00 2.04 -1.22 -3.05 117.51 116.59 2a58 h ILE 32 Ca -0.37 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.43 2a58 h ILE 32 Cb 2.05 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 39.44 2a58 h ILE 32 CO 0.06 0.35 -0.15 -0.33 0.00 0.00 0.00 178.15 178.08 2a58 h GLU 33 N 0.37 -0.25 -0.99 2.37 5.08 -1.55 -0.85 114.58 118.77 2a58 h GLU 33 Ca 0.08 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.58 2a58 h GLU 33 Cb 0.53 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.76 2a58 h GLU 33 CO 0.03 -0.17 0.62 -1.35 -1.00 0.00 0.00 179.01 177.14 2a58 h PRO 34 N -0.26 0.93 0.19 2.33 0.11 -1.77 0.26 132.00 133.79 2a58 h PRO 34 Ca 0.04 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 2a58 h PRO 34 Cb 0.31 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2a58 h PRO 34 CO -0.13 0.61 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.11 2a58 h LEU 35 N 0.95 -0.22 -0.20 2.35 4.07 -1.26 -0.70 115.31 120.31 2a58 h LEU 35 Ca 0.49 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.43 2a58 h LEU 35 Cb 0.52 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 2a58 h LEU 35 CO -0.26 -0.13 0.11 0.58 -1.08 0.00 0.00 178.44 177.67 2a58 h VAL 36 N -0.29 1.10 -0.18 1.22 2.07 -0.60 -2.27 116.25 117.29 2a58 h VAL 36 Ca -0.03 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.30 2a58 h VAL 36 Cb 0.22 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 2a58 h VAL 36 CO 0.04 0.09 -0.35 0.11 0.02 0.00 0.00 177.57 177.49 2a58 h LYS 37 N 0.23 -0.38 -0.95 1.57 6.56 -0.82 -0.44 116.57 122.34 2a58 h LYS 37 Ca 0.07 0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.77 2a58 h LYS 37 Cb 0.05 0.09 -0.07 0.00 -0.57 0.00 0.00 32.23 31.73 2a58 h LYS 37 CO -0.01 -0.25 0.61 0.78 -2.06 0.00 0.00 179.45 178.52 2a58 h GLY 38 N -0.39 1.43 0.83 3.86 0.00 -1.00 0.29 103.07 108.09 2a58 h GLY 38 Ca 0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2a58 h GLY 38 CO -0.40 0.27 -0.12 0.00 0.00 0.00 0.00 176.54 176.29 2a58 h ALA 39 N 1.51 -0.33 0.70 3.60 0.00 -0.69 -1.04 119.26 123.00 2a58 h ALA 39 Ca 0.43 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2a58 h ALA 39 Cb 0.28 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2a58 h ALA 39 CO -0.18 -0.60 -0.33 0.28 0.00 0.00 0.00 179.25 178.42 2a58 h VAL 40 N -0.51 0.31 -0.65 0.00 2.07 -0.64 -2.22 116.25 114.61 2a58 h VAL 40 Ca -0.03 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.55 2a58 h VAL 40 Cb 0.38 0.32 -0.12 0.00 -1.52 0.00 0.00 31.29 30.35 2a58 h VAL 40 CO 0.06 0.00 -0.40 -0.08 0.02 0.00 0.00 177.57 177.17 2a58 h GLU 41 N -0.96 -0.16 -0.69 1.57 4.57 -0.46 -1.18 114.58 117.27 2a58 h GLU 41 Ca -0.10 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.15 2a58 h GLU 41 Cb 0.72 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.30 2a58 h GLU 41 CO 0.16 -0.11 0.39 1.15 -1.18 0.00 0.00 179.01 179.42 2a58 h THR 42 N -0.17 0.99 -0.13 0.32 2.02 -1.11 -0.80 112.91 114.04 2a58 h THR 42 Ca 0.22 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2a58 h THR 42 Cb 0.56 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2a58 h THR 42 CO -0.73 0.13 0.03 0.24 0.37 0.00 0.00 175.52 175.56 2a58 h MET 43 N 0.73 0.20 0.46 6.66 2.86 -0.63 -0.55 114.93 124.67 2a58 h MET 43 Ca 0.30 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 2a58 h MET 43 Cb 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2a58 h MET 43 CO -0.17 0.37 -0.22 0.82 1.06 0.00 0.00 176.91 178.77 2a58 h ILE 44 N 0.00 0.00 0.00 -1.22 1.08 -1.08 -1.51 117.51 114.78 2a58 h ILE 44 Ca 0.04 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 2a58 h ILE 44 Cb 0.25 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 2a58 h ILE 44 CO 0.00 0.00 0.00 -0.33 -0.69 0.00 0.00 178.15 177.13 2a58 h GLU 45 N -0.62 0.00 0.00 2.37 5.08 -1.23 -2.62 114.58 117.56 2a58 h GLU 45 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2a58 h GLU 45 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2a58 h GLU 45 CO 0.10 0.00 -1.11 1.63 -1.00 0.00 0.00 179.01 178.63 2a58 n LYS 46 N -3.01 1.27 -0.01 2.33 4.76 -0.22 -4.76 118.16 118.54 2a58 n LYS 46 Ca 0.00 -0.01 0.01 0.00 -2.87 0.00 0.00 58.31 55.43 2a58 n LYS 46 Cb 0.25 -1.05 0.01 0.00 -1.84 0.00 0.00 35.03 32.40 2a58 n LYS 46 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2a58 n HIS 47 N -1.74 0.00 -3.43 2.13 8.25 -0.64 -4.81 115.22 114.98 2a58 n HIS 47 Ca -0.01 -0.50 -0.25 0.00 -0.26 0.00 0.00 57.72 56.70 2a58 n HIS 47 Cb 0.23 -0.05 0.04 0.00 1.12 0.00 0.00 29.99 31.32 2a58 n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2a58 n ASP 48 N -0.53 -5.62 -4.76 0.41 10.43 -0.93 0.20 116.55 115.74 2a58 n ASP 48 Ca 0.01 -0.48 -0.39 0.00 2.57 0.00 0.00 54.79 56.50 2a58 n ASP 48 Cb 0.29 -4.50 -0.06 0.00 1.84 0.00 0.00 41.12 38.69 2a58 n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2a58 s VAL 49 N -3.21 4.21 -0.07 2.53 1.01 -0.76 -3.29 120.40 120.82 2a58 s VAL 49 Ca 0.48 1.89 -0.25 0.00 0.00 0.00 0.00 61.98 64.11 2a58 s VAL 49 Cb -0.22 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2a58 s VAL 49 CO 0.59 0.49 0.75 -0.54 0.00 0.00 0.00 175.10 176.39 2a58 s LYS 50 N -1.23 4.44 0.34 2.72 1.02 -1.26 -4.20 119.74 121.57 2a58 s LYS 50 Ca 0.39 0.97 0.12 0.00 0.02 0.00 0.00 55.97 57.47 2a58 s LYS 50 Cb -0.24 -3.46 0.96 0.00 -0.52 0.00 0.00 37.83 34.57 2a58 s LYS 50 CO 0.29 0.01 1.73 1.25 -0.92 0.00 0.00 175.35 177.71 2a58 h LEU 51 N 6.90 0.61 -1.68 3.17 6.46 -1.96 0.48 115.31 129.28 2a58 h LEU 51 Ca -0.40 0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.49 2a58 h LEU 51 Cb 1.19 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 41.16 2a58 h LEU 51 CO 0.76 0.07 -0.02 -0.33 -0.62 0.00 0.00 178.44 178.30 2a58 h GLU 52 N 0.51 0.00 -0.82 1.25 3.07 -2.00 -2.74 114.58 113.85 2a58 h GLU 52 Ca 0.65 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.46 2a58 h GLU 52 Cb 1.35 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.23 2a58 h GLU 52 CO -0.45 0.02 0.06 0.09 -1.40 0.00 0.00 179.01 177.33 2a58 n ASN 53 N -3.14 3.50 -3.85 1.42 5.03 0.17 -4.76 115.26 113.62 2a58 n ASN 53 Ca -0.00 -2.55 -0.29 0.00 0.87 0.00 0.00 54.58 52.60 2a58 n ASN 53 Cb 0.28 -0.61 -0.16 0.00 -1.02 0.00 0.00 39.78 38.27 2a58 n ASN 53 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2a58 s ILE 54 N -1.90 1.17 0.04 2.41 1.01 -1.04 -1.06 121.20 121.83 2a58 s ILE 54 Ca 0.29 -1.11 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 2a58 s ILE 54 Cb 0.23 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.04 2a58 s ILE 54 CO 0.08 -0.25 0.46 -1.81 0.00 0.00 0.00 174.94 173.42 2a58 s ASP 55 N 1.54 6.86 -0.31 3.58 -0.00 -0.60 -5.00 116.67 122.74 2a58 s ASP 55 Ca -0.01 1.04 0.00 0.00 -0.00 0.00 0.00 52.55 53.58 2a58 s ASP 55 Cb -0.18 -2.28 0.10 0.00 -0.00 0.00 0.00 42.92 40.56 2a58 s ASP 55 CO -0.10 0.28 0.08 -0.63 -0.00 0.00 0.00 175.17 174.79 2a58 s ILE 56 N -1.16 1.18 0.51 0.77 1.01 -1.26 -1.06 121.20 121.18 2a58 s ILE 56 Ca 0.27 -1.53 0.08 0.00 0.00 0.00 0.00 60.65 59.47 2a58 s ILE 56 Cb -0.17 -1.84 0.05 0.00 0.01 0.00 0.00 42.46 40.51 2a58 s ILE 56 CO 0.16 -0.60 0.70 -1.61 0.00 0.00 0.00 174.94 173.58 2a58 s GLU 57 N 1.47 2.54 0.06 2.79 0.41 -0.45 -5.01 118.70 120.52 2a58 s GLU 57 Ca 0.08 -1.36 -0.13 0.00 -0.41 0.00 0.00 54.97 53.15 2a58 s GLU 57 Cb -0.18 -2.67 0.02 0.00 -1.78 0.00 0.00 34.13 29.52 2a58 s GLU 57 CO -0.20 -0.60 0.30 -1.54 -0.49 0.00 0.00 175.26 172.73 2a58 s SER 58 N -4.50 -0.10 0.14 -0.19 1.04 -1.26 -2.69 113.70 106.13 2a58 s SER 58 Ca 0.58 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.75 2a58 s SER 58 Cb -0.08 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 2a58 s SER 58 CO 0.36 -0.67 -0.03 0.68 0.98 0.00 0.00 173.24 174.56 2a58 s VAL 59 N -2.97 0.67 0.10 5.02 -7.23 -0.65 -4.92 120.40 110.43 2a58 s VAL 59 Ca -0.02 -1.96 -0.34 0.00 -1.81 0.00 0.00 61.98 57.85 2a58 s VAL 59 Cb 0.01 -1.92 -0.14 0.00 0.56 0.00 0.00 36.38 34.88 2a58 s VAL 59 CO -0.06 -0.65 1.56 -0.65 -0.31 0.00 0.00 175.10 174.99 2a58 h PRO 60 N 2.82 -0.76 -4.76 4.82 0.11 -1.94 -2.62 132.00 129.66 2a58 h PRO 60 Ca -0.36 0.05 -0.45 0.00 0.11 0.00 0.00 66.00 65.36 2a58 h PRO 60 Cb 1.19 0.17 -0.12 0.00 0.11 0.00 0.00 31.00 32.35 2a58 h PRO 60 CO 0.63 -0.51 -0.42 0.20 -0.21 0.00 0.00 178.00 177.69 2a58 s GLY 61 N -2.23 2.22 0.47 -0.55 0.00 -1.26 -1.76 107.32 104.20 2a58 s GLY 61 Ca -0.17 -1.99 0.18 0.00 0.00 0.00 0.00 44.72 42.74 2a58 s GLY 61 CO 0.61 -1.39 1.98 1.76 0.00 0.00 0.00 173.10 176.07 2a58 h SER 62 N 2.11 0.24 -0.72 1.64 0.02 -1.92 -1.78 113.55 113.14 2a58 h SER 62 Ca -0.25 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 2a58 h SER 62 Cb 1.23 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 2a58 h SER 62 CO 0.36 0.14 0.47 -0.25 -1.14 0.00 0.00 176.83 176.41 2a58 h TRP 63 N 0.27 0.85 -0.00 3.45 2.91 -1.96 -1.77 115.95 119.69 2a58 h TRP 63 Ca 0.28 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.32 2a58 h TRP 63 Cb 0.74 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.10 2a58 h TRP 63 CO -0.00 0.50 -0.01 0.39 -1.03 0.00 0.00 178.44 178.29 2a58 n GLU 64 N -4.45 0.70 0.10 2.65 4.71 -0.67 -4.16 120.64 119.53 2a58 n GLU 64 Ca 0.09 -0.05 -0.12 0.00 -0.01 0.00 0.00 57.16 57.07 2a58 n GLU 64 Cb 0.11 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 28.99 2a58 n GLU 64 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2a58 h LEU 65 N 0.12 -0.65 -0.50 -4.62 5.85 -1.36 0.16 115.31 114.31 2a58 h LEU 65 Ca 0.00 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2a58 h LEU 65 Cb 0.19 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2a58 h LEU 65 CO 0.00 -0.31 0.28 -0.65 -0.34 0.00 0.00 178.44 177.42 2a58 h PRO 66 N -0.41 0.54 -0.28 5.25 0.11 -1.78 -1.72 132.00 133.71 2a58 h PRO 66 Ca 0.03 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.94 2a58 h PRO 66 Cb 0.44 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 2a58 h PRO 66 CO -0.14 0.36 -0.51 1.96 -0.21 0.00 0.00 178.00 179.46 2a58 h GLN 67 N 0.56 0.79 -0.74 1.05 4.20 -1.79 -1.29 115.11 117.89 2a58 h GLN 67 Ca 0.21 -0.48 0.04 0.00 0.06 0.00 0.00 58.65 58.49 2a58 h GLN 67 Cb 0.06 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 2a58 h GLN 67 CO -0.12 1.11 0.45 0.78 -0.67 0.00 0.00 178.83 180.39 2a58 h GLY 68 N 0.82 1.09 0.71 3.46 0.00 -0.50 -0.62 103.07 108.04 2a58 h GLY 68 Ca 0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2a58 h GLY 68 CO 0.11 0.26 -0.03 -2.22 0.00 0.00 0.00 176.54 174.65 2a58 h ILE 69 N 0.86 1.30 -1.00 2.60 2.04 -1.21 -2.74 117.51 119.36 2a58 h ILE 69 Ca 0.31 -0.99 0.09 0.00 1.00 0.00 0.00 64.86 65.27 2a58 h ILE 69 Cb 0.09 1.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 2a58 h ILE 69 CO -0.14 0.28 0.64 -0.09 0.00 0.00 0.00 178.15 178.84 2a58 h ARG 70 N -0.13 1.05 0.24 2.37 2.43 -0.87 -0.15 114.38 119.32 2a58 h ARG 70 Ca 0.03 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2a58 h ARG 70 Cb 0.46 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2a58 h ARG 70 CO 0.01 0.69 -0.11 0.00 -1.51 0.00 0.00 179.97 179.05 2a58 h ALA 71 N 1.50 -0.32 -0.83 2.80 0.00 -1.10 -2.78 119.26 118.53 2a58 h ALA 71 Ca 0.46 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2a58 h ALA 71 Cb 0.32 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2a58 h ALA 71 CO -0.21 -0.59 0.54 0.77 0.00 0.00 0.00 179.25 179.76 2a58 h SER 72 N -0.50 0.91 -0.28 0.00 0.02 -1.14 -1.46 113.55 111.09 2a58 h SER 72 Ca -0.03 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2a58 h SER 72 Cb 0.38 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2a58 h SER 72 CO 0.05 0.63 0.19 0.40 -1.14 0.00 0.00 176.83 176.97 2a58 h ILE 73 N 1.06 0.96 -0.05 3.27 1.08 -0.99 -1.58 117.51 121.25 2a58 h ILE 73 Ca 0.33 -0.07 -0.20 0.00 -0.39 0.00 0.00 64.86 64.53 2a58 h ILE 73 Cb -0.03 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.47 2a58 h ILE 73 CO -0.10 0.04 -0.81 0.00 -0.69 0.00 0.00 178.15 176.58 2a58 h ALA 74 N 1.85 0.49 -3.00 1.87 0.00 -0.99 -3.39 119.26 116.08 2a58 h ALA 74 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2a58 h ALA 74 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2a58 h ALA 74 CO -0.02 0.78 0.00 0.54 0.00 0.00 0.00 179.25 180.55 2a58 n ARG 75 N -3.81 0.00 -1.98 0.00 5.12 -0.63 -4.97 116.66 110.39 2a58 n ARG 75 Ca -0.05 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.68 2a58 n ARG 75 Cb 0.76 -0.51 0.10 0.00 -1.16 0.00 0.00 32.46 31.65 2a58 n ARG 75 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2a58 n ASN 76 N -0.27 0.85 -4.34 0.55 3.02 -0.98 -5.10 115.26 108.99 2a58 n ASN 76 Ca 0.00 -1.77 -0.33 0.00 -0.03 0.00 0.00 54.58 52.45 2a58 n ASN 76 Cb 0.00 -0.55 -0.15 0.00 -0.61 0.00 0.00 39.78 38.48 2a58 n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a58 s THR 77 N -2.47 2.83 0.15 3.41 2.01 -1.26 -4.58 115.64 115.72 2a58 s THR 77 Ca 0.52 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.82 2a58 s THR 77 Cb -0.03 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 2a58 s THR 77 CO 0.35 0.54 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.39 2a58 s TYR 78 N 0.28 1.34 -0.14 4.92 2.02 -1.26 -4.90 117.35 119.61 2a58 s TYR 78 Ca -0.11 -0.69 0.20 0.00 -0.37 0.00 0.00 57.07 56.10 2a58 s TYR 78 Cb -0.16 -0.67 -0.17 0.00 -0.40 0.00 0.00 41.96 40.55 2a58 s TYR 78 CO 0.06 0.13 0.69 -0.25 -1.57 0.00 0.00 175.55 174.61 2a58 n ASP 79 N -0.05 0.48 -3.47 2.29 9.92 0.56 -4.97 116.55 121.31 2a58 n ASP 79 Ca -0.11 0.20 -0.12 0.00 -0.53 0.00 0.00 54.79 54.22 2a58 n ASP 79 Cb 0.60 0.93 -0.03 0.00 -0.64 0.00 0.00 41.12 41.98 2a58 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a58 s ALA 80 N -3.20 -1.72 0.01 2.24 0.00 -1.24 -4.24 121.76 113.62 2a58 s ALA 80 Ca -0.05 0.88 -0.00 0.00 0.00 0.00 0.00 51.96 52.79 2a58 s ALA 80 Cb 0.10 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 2a58 s ALA 80 CO 0.84 -0.63 -0.01 0.54 0.00 0.00 0.00 175.76 176.50 2a58 s VAL 81 N -2.84 0.07 -0.15 0.00 0.11 -0.41 -1.47 120.40 115.72 2a58 s VAL 81 Ca -0.01 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 2a58 s VAL 81 Cb -0.01 -0.18 0.01 0.00 -1.53 0.00 0.00 36.38 34.67 2a58 s VAL 81 CO -0.06 -0.33 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.55 2a58 s ILE 82 N -0.96 2.02 -0.30 7.04 1.01 0.39 -0.18 121.20 130.22 2a58 s ILE 82 Ca -0.11 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.47 2a58 s ILE 82 Cb -0.07 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2a58 s ILE 82 CO -0.01 0.54 0.27 -0.83 0.00 0.00 0.00 174.94 174.91 2a58 s GLY 83 N 0.98 1.92 -0.08 6.18 0.00 -0.73 -1.82 107.32 113.77 2a58 s GLY 83 Ca -0.03 -1.10 0.05 0.00 0.00 0.00 0.00 44.72 43.63 2a58 s GLY 83 CO -0.05 0.81 -0.23 -0.42 0.00 0.00 0.00 173.10 173.20 2a58 s ILE 84 N 1.87 2.17 -0.09 0.90 1.01 -0.17 0.41 121.20 127.30 2a58 s ILE 84 Ca 0.09 -1.00 -0.32 0.00 0.00 0.00 0.00 60.65 59.42 2a58 s ILE 84 Cb -0.16 -1.81 0.12 0.00 0.01 0.00 0.00 42.46 40.61 2a58 s ILE 84 CO 0.11 0.56 1.07 -0.83 0.00 0.00 0.00 174.94 175.85 2a58 s GLY 85 N 0.08 -0.37 -0.06 6.18 0.00 -0.79 -1.35 107.32 111.02 2a58 s GLY 85 Ca -0.10 1.25 0.01 0.00 0.00 0.00 0.00 44.72 45.87 2a58 s GLY 85 CO 0.06 0.41 -0.05 0.54 0.00 0.00 0.00 173.10 174.06 2a58 s VAL 86 N -2.74 0.61 -0.12 1.40 0.11 -1.26 -0.67 120.40 117.73 2a58 s VAL 86 Ca 0.08 -0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 58.98 2a58 s VAL 86 Cb -0.01 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 2a58 s VAL 86 CO -0.06 0.26 -0.07 -0.76 -3.33 0.00 0.00 175.10 171.14 2a58 s LEU 87 N 1.14 3.11 -0.10 2.54 1.43 0.12 -4.90 118.68 122.01 2a58 s LEU 87 Ca -0.07 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2a58 s LEU 87 Cb -0.14 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2a58 s LEU 87 CO -0.01 0.22 -0.21 -0.63 0.23 0.00 0.00 176.35 175.95 2a58 s ILE 88 N 0.02 2.36 0.14 -0.59 1.01 -1.26 -1.39 121.20 121.50 2a58 s ILE 88 Ca -0.01 -0.92 -0.34 0.00 0.00 0.00 0.00 60.65 59.38 2a58 s ILE 88 Cb -0.14 -1.92 -0.14 0.00 0.01 0.00 0.00 42.46 40.27 2a58 s ILE 88 CO 0.03 0.55 1.58 1.17 0.00 0.00 0.00 174.94 178.28 2a58 n LYS 89 N 3.38 2.11 0.00 2.79 0.00 -0.31 -4.84 118.16 121.28 2a58 n LYS 89 Ca -0.18 0.76 0.00 0.00 0.00 0.00 0.00 58.31 58.89 2a58 n LYS 89 Cb 0.53 -2.53 0.00 0.00 0.00 0.00 0.00 35.03 33.03 2a58 n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a58 n GLY 90 N 3.43 6.18 0.14 3.14 0.00 -1.26 -4.86 105.19 111.95 2a58 n GLY 90 Ca 0.17 -2.01 0.01 0.00 0.00 0.00 0.00 46.02 44.19 2a58 n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2a58 h SER 91 N 0.00 0.00 -4.69 1.61 0.02 -2.03 -3.47 113.55 105.00 2a58 h SER 91 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 2a58 h SER 91 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2a58 h SER 91 CO 0.00 0.57 -0.02 0.35 -1.14 0.00 0.00 176.83 176.59 2a58 n THR 92 N -3.33 0.00 1.62 -2.27 -2.24 -1.26 -5.00 114.28 101.80 2a58 n THR 92 Ca 0.01 -0.52 0.14 0.00 -2.27 0.00 0.00 64.05 61.41 2a58 n THR 92 Cb 0.72 -0.87 0.62 0.00 -2.10 0.00 0.00 70.33 68.70 2a58 n THR 92 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2a58 n MET 93 N -1.35 1.49 -0.19 -0.78 0.00 -1.26 -4.32 117.12 110.71 2a58 n MET 93 Ca 0.04 -0.72 -0.05 0.00 0.00 0.00 0.00 57.70 56.98 2a58 n MET 93 Cb 0.16 -1.48 0.01 0.00 0.00 0.00 0.00 33.22 31.91 2a58 n MET 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2a58 h HIS 94 N 1.73 -0.86 -0.50 2.03 -0.00 -1.95 -2.11 115.15 113.49 2a58 h HIS 94 Ca 0.00 0.07 0.09 0.00 -0.00 0.00 0.00 60.37 60.53 2a58 h HIS 94 Cb 0.37 0.46 -0.10 0.00 -0.00 0.00 0.00 27.41 28.14 2a58 h HIS 94 CO 0.00 -0.37 -0.33 0.35 -0.00 0.00 0.00 177.93 177.58 2a58 h PHE 95 N -0.16 -0.92 -0.12 5.26 3.57 -1.89 -1.40 116.94 121.28 2a58 h PHE 95 Ca 0.23 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.83 2a58 h PHE 95 Cb 0.54 0.48 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 2a58 h PHE 95 CO -0.61 -0.38 -0.07 0.93 -2.23 0.00 0.00 178.31 175.95 2a58 h GLU 96 N -0.21 -0.06 -0.32 1.11 3.07 -1.70 -1.68 114.58 114.79 2a58 h GLU 96 Ca 0.20 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.90 2a58 h GLU 96 Cb 0.54 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2a58 h GLU 96 CO -0.61 -0.04 -0.44 1.88 -1.40 0.00 0.00 179.01 178.39 2a58 h TYR 97 N -0.06 1.02 -0.35 4.33 0.05 -1.23 -2.74 116.97 118.00 2a58 h TYR 97 Ca 0.07 -0.32 -0.08 0.00 0.05 0.00 0.00 58.73 58.45 2a58 h TYR 97 Cb 0.17 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 2a58 h TYR 97 CO -0.19 1.13 -0.08 0.82 -1.05 0.00 0.00 178.16 178.79 2a58 h ILE 98 N 0.67 1.28 -0.19 -2.88 1.08 -1.24 -1.99 117.51 114.24 2a58 h ILE 98 Ca 0.04 -1.13 0.04 0.00 -0.39 0.00 0.00 64.86 63.42 2a58 h ILE 98 Cb 1.03 1.30 -0.04 0.00 -3.07 0.00 0.00 36.82 36.04 2a58 h ILE 98 CO 0.10 0.37 -0.05 0.28 -0.69 0.00 0.00 178.15 178.16 2a58 h SER 99 N 0.46 -0.18 -0.51 1.72 0.02 -1.32 0.11 113.55 113.85 2a58 h SER 99 Ca 0.09 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2a58 h SER 99 Cb 0.58 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 2a58 h SER 99 CO 0.03 -0.06 0.27 -0.08 -1.14 0.00 0.00 176.83 175.86 2a58 h GLU 100 N 0.00 0.72 -0.36 3.45 4.81 -1.44 -1.50 114.58 120.27 2a58 h GLU 100 Ca 0.09 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2a58 h GLU 100 Cb 0.14 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2a58 h GLU 100 CO -0.20 0.57 -0.02 0.00 -0.73 0.00 0.00 179.01 178.63 2a58 h ALA 101 N 1.11 0.49 -0.37 2.92 0.00 -0.93 -1.66 119.26 120.82 2a58 h ALA 101 Ca 0.18 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2a58 h ALA 101 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2a58 h ALA 101 CO -0.03 0.28 0.04 0.28 0.00 0.00 0.00 179.25 179.82 2a58 h VAL 102 N 0.46 1.25 -0.41 0.00 2.07 -0.71 0.76 116.25 119.66 2a58 h VAL 102 Ca 0.10 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 2a58 h VAL 102 Cb 0.50 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2a58 h VAL 102 CO 0.02 0.30 0.17 0.58 0.02 0.00 0.00 177.57 178.66 2a58 h VAL 103 N 0.46 1.19 -0.52 2.57 2.07 -1.26 -0.96 116.25 119.81 2a58 h VAL 103 Ca 0.11 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 2a58 h VAL 103 Cb 0.40 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2a58 h VAL 103 CO 0.01 0.22 0.16 -0.74 0.02 0.00 0.00 177.57 177.24 2a58 h HIS 104 N 0.52 0.78 -0.36 1.57 6.17 -1.19 -2.47 115.15 120.16 2a58 h HIS 104 Ca 0.14 -0.05 -0.14 0.00 0.71 0.00 0.00 60.37 61.02 2a58 h HIS 104 Cb 0.18 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.87 2a58 h HIS 104 CO -0.00 0.64 -0.34 0.78 0.71 0.00 0.00 177.93 179.71 2a58 h GLY 105 N 0.92 0.89 1.20 5.26 0.00 -0.29 -1.37 103.07 109.67 2a58 h GLY 105 Ca 0.17 -0.86 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 2a58 h GLY 105 CO -0.01 0.78 -0.25 1.41 0.00 0.00 0.00 176.54 178.47 2a58 h LEU 106 N 0.68 0.93 -0.69 3.11 3.38 -1.05 -0.85 115.31 120.82 2a58 h LEU 106 Ca 0.07 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2a58 h LEU 106 Cb 0.90 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2a58 h LEU 106 CO 0.08 1.13 0.41 -0.03 0.09 0.00 0.00 178.44 180.12 2a58 h MET 107 N 0.78 0.93 -0.11 1.13 4.05 -1.33 -2.08 114.93 118.30 2a58 h MET 107 Ca 0.10 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2a58 h MET 107 Cb 0.81 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2a58 h MET 107 CO 0.07 0.67 0.01 -0.09 0.23 0.00 0.00 176.91 177.80 2a58 h ARG 108 N 0.94 0.19 -0.81 0.39 2.43 -0.86 -2.15 114.38 114.50 2a58 h ARG 108 Ca 0.25 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.45 2a58 h ARG 108 Cb -0.02 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.44 2a58 h ARG 108 CO -0.05 0.40 0.47 0.28 -1.51 0.00 0.00 179.97 179.56 2a58 h VAL 109 N -0.05 0.93 0.08 0.20 2.07 -1.04 0.14 116.25 118.58 2a58 h VAL 109 Ca 0.03 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2a58 h VAL 109 Cb 0.31 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2a58 h VAL 109 CO 0.00 0.15 -0.04 1.23 0.02 0.00 0.00 177.57 178.93 2a58 h GLY 110 N 0.80 -0.12 1.77 2.17 0.00 -1.26 -1.92 103.07 104.52 2a58 h GLY 110 Ca 0.39 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.68 2a58 h GLY 110 CO -0.23 -0.04 -0.25 1.41 0.00 0.00 0.00 176.54 177.42 2a58 h LEU 111 N -0.20 0.27 -0.23 3.11 3.38 -0.92 -0.66 115.31 120.05 2a58 h LEU 111 Ca -0.01 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2a58 h LEU 111 Cb 0.17 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2a58 h LEU 111 CO 0.02 0.53 -0.26 0.44 0.09 0.00 0.00 178.44 179.26 2a58 h ASP 112 N 0.24 0.63 1.13 -0.43 3.32 -0.64 -3.32 116.42 117.36 2a58 h ASP 112 Ca 0.04 -0.49 -0.13 0.00 0.02 0.00 0.00 57.03 56.47 2a58 h ASP 112 Cb 0.59 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 2a58 h ASP 112 CO 0.04 0.99 -0.91 0.77 -1.72 0.00 0.00 179.24 178.41 2a58 h SER 113 N 0.29 0.00 0.00 6.45 4.64 -1.27 -3.48 113.55 120.18 2a58 h SER 113 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2a58 h SER 113 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2a58 h SER 113 CO 0.06 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 2a58 n GLY 114 N 1.30 0.97 3.71 -0.77 0.00 -0.26 -5.02 105.19 105.11 2a58 n GLY 114 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2a58 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a58 s VAL 115 N -3.30 5.24 0.12 1.61 1.01 -1.20 -5.03 120.40 118.85 2a58 s VAL 115 Ca 0.00 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.37 2a58 s VAL 115 Cb 0.00 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 2a58 s VAL 115 CO 0.00 0.33 1.71 -2.84 0.00 0.00 0.00 175.10 174.30 2a58 s PRO 116 N 0.78 4.17 -0.23 2.72 0.02 -1.26 -4.45 135.00 136.74 2a58 s PRO 116 Ca 0.20 2.46 -0.01 0.00 0.02 0.00 0.00 61.00 63.66 2a58 s PRO 116 Cb -0.14 -3.48 0.02 0.00 0.02 0.00 0.00 34.50 30.92 2a58 s PRO 116 CO 0.07 -0.75 -0.08 0.08 -0.33 0.00 0.00 177.00 175.98 2a58 s VAL 117 N 2.30 2.81 -0.08 3.83 1.01 -1.26 -1.28 120.40 127.73 2a58 s VAL 117 Ca 0.76 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 2a58 s VAL 117 Cb -0.44 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2a58 s VAL 117 CO 0.33 0.28 0.56 -0.63 0.00 0.00 0.00 175.10 175.65 2a58 s ILE 118 N 1.34 5.10 -0.42 2.22 1.09 0.75 -4.98 121.20 126.30 2a58 s ILE 118 Ca 0.02 1.14 -0.29 0.00 -1.10 0.00 0.00 60.65 60.42 2a58 s ILE 118 Cb -0.16 -3.90 0.02 0.00 -1.06 0.00 0.00 42.46 37.37 2a58 s ILE 118 CO -0.06 0.32 1.16 -0.22 -0.10 0.00 0.00 174.94 176.05 2a58 s LEU 119 N 0.53 3.72 -0.30 2.97 2.96 -1.26 -1.78 118.68 125.52 2a58 s LEU 119 Ca 0.30 0.70 0.07 0.00 -0.22 0.00 0.00 54.13 54.98 2a58 s LEU 119 Cb -0.16 -3.55 0.46 0.00 0.50 0.00 0.00 46.19 43.43 2a58 s LEU 119 CO 0.14 -1.17 1.25 0.61 -1.32 0.00 0.00 176.35 175.86 2a58 n GLY 120 N 4.60 6.14 3.66 7.98 0.00 0.17 -4.95 105.19 122.78 2a58 n GLY 120 Ca 0.13 -2.40 -0.37 0.00 0.00 0.00 0.00 46.02 43.38 2a58 n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a58 s LEU 121 N -3.55 4.12 -0.21 0.99 0.20 -1.23 -1.89 118.68 117.12 2a58 s LEU 121 Ca 0.50 0.20 -0.09 0.00 0.69 0.00 0.00 54.13 55.43 2a58 s LEU 121 Cb 0.41 -2.20 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 2a58 s LEU 121 CO 0.02 0.02 0.10 -0.76 -0.29 0.00 0.00 176.35 175.44 2a58 s LEU 122 N 1.17 3.94 -0.57 -0.68 1.43 0.16 -4.96 118.68 119.16 2a58 s LEU 122 Ca 0.10 0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 2a58 s LEU 122 Cb -0.14 -2.02 0.14 0.00 0.03 0.00 0.00 46.19 44.20 2a58 s LEU 122 CO 0.06 0.13 0.33 0.42 0.23 0.00 0.00 176.35 177.52 2a58 s THR 123 N 0.63 2.77 0.40 5.49 -4.23 -1.26 0.12 115.64 119.57 2a58 s THR 123 Ca 0.05 -3.50 0.08 0.00 -1.18 0.00 0.00 61.69 57.14 2a58 s THR 123 Cb -0.13 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 2a58 s THR 123 CO 0.01 -0.85 0.30 0.68 -0.54 0.00 0.00 174.62 174.22 2a58 s VAL 124 N -0.53 2.66 0.03 2.29 -7.23 -0.49 -5.01 120.40 112.13 2a58 s VAL 124 Ca 0.19 -1.47 0.10 0.00 -1.81 0.00 0.00 61.98 58.99 2a58 s VAL 124 Cb -0.21 -3.01 -0.21 0.00 0.56 0.00 0.00 36.38 33.50 2a58 s VAL 124 CO -0.04 -0.03 0.97 -0.07 -0.31 0.00 0.00 175.10 175.63 2a58 h LEU 125 N 1.19 0.00 -7.72 1.32 -0.00 -1.93 -0.81 115.31 107.36 2a58 h LEU 125 Ca -0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.44 2a58 h LEU 125 Cb 1.26 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.82 2a58 h LEU 125 CO 0.61 0.98 0.02 0.54 -0.00 0.00 0.00 178.44 180.60 2a58 s ASN 126 N -6.39 -0.25 0.31 -0.43 2.20 -1.26 -4.10 114.94 105.02 2a58 s ASN 126 Ca -0.02 -0.51 0.05 0.00 -0.94 0.00 0.00 52.86 51.44 2a58 s ASN 126 Cb 0.09 0.58 0.72 0.00 -2.00 0.00 0.00 41.25 40.64 2a58 s ASN 126 CO 0.82 -1.06 1.80 -0.33 -2.94 0.00 0.00 177.10 175.39 2a58 h GLU 127 N 2.20 0.78 -0.32 3.55 4.39 -1.97 -2.14 114.58 121.06 2a58 h GLU 127 Ca -0.28 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.40 2a58 h GLU 127 Cb 1.26 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 2a58 h GLU 127 CO 0.37 0.52 0.12 0.93 -1.16 0.00 0.00 179.01 179.78 2a58 h GLU 128 N 0.80 0.25 -0.52 2.33 3.07 -1.99 -1.42 114.58 117.10 2a58 h GLU 128 Ca 0.55 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.46 2a58 h GLU 128 Cb 0.81 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.64 2a58 h GLU 128 CO -0.34 0.17 0.35 1.96 -1.40 0.00 0.00 179.01 179.74 2a58 h GLN 129 N 0.26 0.45 -0.03 2.33 4.20 -1.81 -0.54 115.11 119.97 2a58 h GLN 129 Ca 0.14 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2a58 h GLN 129 Cb 0.11 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2a58 h GLN 129 CO -0.15 0.30 -0.06 0.00 -0.67 0.00 0.00 178.83 178.25 2a58 h ALA 130 N 1.72 0.05 -0.96 3.87 0.00 -1.31 -2.84 119.26 119.79 2a58 h ALA 130 Ca 0.22 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2a58 h ALA 130 Cb 0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2a58 h ALA 130 CO -0.06 -0.12 0.63 -0.07 0.00 0.00 0.00 179.25 179.64 2a58 h LEU 131 N -0.44 1.09 -1.10 0.00 3.38 -0.89 -1.78 115.31 115.58 2a58 h LEU 131 Ca 0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2a58 h LEU 131 Cb 0.64 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2a58 h LEU 131 CO 0.01 0.78 0.61 0.22 0.09 0.00 0.00 178.44 180.15 2a58 h TYR 132 N 1.28 1.15 -0.00 1.13 3.20 -1.12 -0.62 116.97 121.99 2a58 h TYR 132 Ca 0.36 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.25 2a58 h TYR 132 Cb -0.12 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 37.76 2a58 h TYR 132 CO -0.00 0.70 -0.04 0.54 -1.64 0.00 0.00 178.16 177.72 2a58 n ARG 133 N -4.41 1.00 -0.36 1.82 1.74 -0.75 -2.87 116.66 112.84 2a58 n ARG 133 Ca 0.11 -0.30 0.12 0.00 -0.77 0.00 0.00 57.85 57.01 2a58 n ARG 133 Cb 0.04 -1.49 0.32 0.00 -1.02 0.00 0.00 32.46 30.31 2a58 n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a58 n ALA 134 N -0.73 2.37 0.00 7.54 0.00 -0.30 -1.41 120.51 127.98 2a58 n ALA 134 Ca 0.19 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2a58 n ALA 134 Cb 0.23 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2a58 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a58 n GLY 135 N 1.61 1.48 3.89 0.00 0.00 -1.14 -4.55 105.19 106.48 2a58 n GLY 135 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2a58 n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a58 s LEU 136 N 0.00 2.67 -1.70 0.99 1.02 -0.87 -3.84 118.68 116.94 2a58 s LEU 136 Ca 0.00 0.95 -0.17 0.00 0.02 0.00 0.00 54.13 54.93 2a58 s LEU 136 Cb 0.00 -3.58 0.15 0.00 0.02 0.00 0.00 46.19 42.78 2a58 s LEU 136 CO 0.00 -1.67 0.69 0.59 0.02 0.00 0.00 176.35 175.98 2a58 n ASN 137 N -3.19 -2.62 0.00 2.29 3.02 -1.26 -0.96 115.26 112.54 2a58 n ASN 137 Ca 0.07 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 2a58 n ASN 137 Cb 0.59 -2.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.22 2a58 n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a58 n GLY 138 N -1.45 0.74 3.96 7.41 0.00 -1.26 -4.99 105.19 109.60 2a58 n GLY 138 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2a58 n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a58 s GLY 139 N -1.92 1.77 -0.16 -0.02 0.00 -0.14 -5.08 107.32 101.77 2a58 s GLY 139 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 44.72 43.36 2a58 s GLY 139 CO 0.00 -0.85 0.24 -1.58 0.00 0.00 0.00 173.10 170.91 2a58 s HIS 140 N -3.03 3.48 -0.26 1.90 5.65 -1.18 -4.18 115.29 117.67 2a58 s HIS 140 Ca 0.60 0.54 -0.29 0.00 0.25 0.00 0.00 55.06 56.16 2a58 s HIS 140 Cb -0.10 -2.25 -0.01 0.00 -1.18 0.00 0.00 32.58 29.05 2a58 s HIS 140 CO 0.42 0.33 1.37 1.21 -0.65 0.00 0.00 174.74 177.42 2a58 s ASN 141 N 0.19 6.64 0.06 9.88 3.84 -1.26 -3.52 114.94 130.78 2a58 s ASN 141 Ca 0.14 1.39 0.25 0.00 0.21 0.00 0.00 52.86 54.85 2a58 s ASN 141 Cb -0.13 -2.54 0.99 0.00 -0.55 0.00 0.00 41.25 39.03 2a58 s ASN 141 CO 0.03 -1.07 1.77 1.41 -2.79 0.00 0.00 177.10 176.45 2a58 n HIS 142 N 7.65 0.24 0.06 0.43 8.25 -0.50 -3.01 115.22 128.35 2a58 n HIS 142 Ca 0.16 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 2a58 n HIS 142 Cb 0.46 -0.62 0.32 0.00 1.12 0.00 0.00 29.99 31.26 2a58 n HIS 142 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2a58 h GLY 143 N 4.07 0.39 0.95 -1.41 0.00 -1.81 -1.85 103.07 103.41 2a58 h GLY 143 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2a58 h GLY 143 CO 0.00 0.24 0.15 3.43 0.00 0.00 0.00 176.54 180.36 2a58 h ASN 144 N 0.34 0.36 -0.74 0.19 -0.26 -1.67 -0.79 115.58 113.02 2a58 h ASN 144 Ca 0.07 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.69 2a58 h ASN 144 Cb 0.44 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.58 2a58 h ASN 144 CO 0.03 0.36 0.42 0.44 -1.06 0.00 0.00 177.43 177.62 2a58 h ASP 145 N 0.34 0.90 -0.03 5.81 3.32 -1.60 -2.08 116.42 123.08 2a58 h ASP 145 Ca 0.10 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 2a58 h ASP 145 Cb 0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2a58 h ASP 145 CO -0.01 0.72 -0.16 -0.50 -1.72 0.00 0.00 179.24 177.56 2a58 h TRP 146 N 1.01 0.39 -0.26 4.55 6.55 -1.02 -0.95 115.95 126.22 2a58 h TRP 146 Ca 0.26 -0.06 -0.02 0.00 0.95 0.00 0.00 58.89 60.02 2a58 h TRP 146 Cb 0.00 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.18 2a58 h TRP 146 CO -0.01 0.52 0.08 0.78 -1.05 0.00 0.00 178.44 178.77 2a58 h GLY 147 N 0.90 0.44 1.67 1.49 0.00 -0.54 -0.72 103.07 106.30 2a58 h GLY 147 Ca 0.06 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 2a58 h GLY 147 CO 0.03 0.24 -0.27 1.76 0.00 0.00 0.00 176.54 178.30 2a58 h SER 148 N 0.26 0.38 -0.34 0.19 0.02 -1.11 -2.39 113.55 110.57 2a58 h SER 148 Ca 0.08 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 60.77 2a58 h SER 148 Cb 0.23 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2a58 h SER 148 CO -0.00 0.65 -0.31 0.00 -1.14 0.00 0.00 176.83 176.02 2a58 h ALA 149 N 1.38 0.71 0.25 3.77 0.00 -0.95 -1.32 119.26 123.09 2a58 h ALA 149 Ca 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2a58 h ALA 149 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2a58 h ALA 149 CO 0.05 0.66 -0.12 0.00 0.00 0.00 0.00 179.25 179.84 2a58 h ALA 150 N 0.91 -0.33 -0.35 0.00 0.00 -0.90 -0.35 119.26 118.24 2a58 h ALA 150 Ca 0.08 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2a58 h ALA 150 Cb 0.87 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2a58 h ALA 150 CO 0.08 -0.68 0.06 0.28 0.00 0.00 0.00 179.25 178.99 2a58 h VAL 151 N -0.35 0.82 -0.38 0.00 2.07 -1.35 0.76 116.25 117.82 2a58 h VAL 151 Ca -0.03 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2a58 h VAL 151 Cb 0.27 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2a58 h VAL 151 CO 0.06 0.03 0.20 -0.08 0.02 0.00 0.00 177.57 177.80 2a58 h GLU 152 N 0.18 0.54 -0.13 1.57 4.81 -1.05 -1.89 114.58 118.60 2a58 h GLU 152 Ca 0.16 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 2a58 h GLU 152 Cb 0.19 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2a58 h GLU 152 CO -0.22 0.45 -0.36 0.52 -0.73 0.00 0.00 179.01 178.67 2a58 h MET 153 N 0.49 0.27 -0.38 1.92 2.86 -0.76 -2.13 114.93 117.20 2a58 h MET 153 Ca 0.13 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2a58 h MET 153 Cb 0.08 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2a58 h MET 153 CO -0.02 0.60 0.17 0.78 1.06 0.00 0.00 176.91 179.49 2a58 h GLY 154 N 1.14 0.60 0.80 8.32 0.00 -0.45 -2.35 103.07 111.12 2a58 h GLY 154 Ca 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 2a58 h GLY 154 CO 0.06 0.30 -0.00 1.41 0.00 0.00 0.00 176.54 178.30 2a58 h LEU 155 N 0.47 0.29 -2.31 3.11 3.38 -1.20 -2.77 115.31 116.28 2a58 h LEU 155 Ca 0.13 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2a58 h LEU 155 Cb 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2a58 h LEU 155 CO -0.01 0.53 0.00 0.11 0.09 0.00 0.00 178.44 179.16 2a58 h LYS 156 N 0.04 0.00 -0.00 1.13 1.57 -1.33 -0.05 116.57 117.92 2a58 h LYS 156 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2a58 h LYS 156 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2a58 h LYS 156 CO 0.01 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.82 2a58 n ALA 157 N -1.99 2.66 0.42 3.86 0.00 -0.89 -5.10 120.51 119.47 2a58 n ALA 157 Ca -0.02 -0.22 0.05 0.00 0.00 0.00 0.00 53.44 53.25 2a58 n ALA 157 Cb 0.09 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.18 2a58 n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78