#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 1.64 -0.45 3.23 -0.14 -1.26 -4.48 119.74 118.27 2a59 s LYS 14 Ca 0.00 -0.87 0.06 0.00 -1.36 0.00 0.00 55.97 53.80 2a59 s LYS 14 Cb 0.00 -1.67 0.22 0.00 -1.68 0.00 0.00 37.83 34.71 2a59 s LYS 14 CO 0.00 0.44 0.50 0.41 -0.76 0.00 0.00 175.35 175.95 2a59 n GLY 15 N 2.21 3.02 0.25 -3.33 0.00 -0.10 -4.95 105.19 102.29 2a59 n GLY 15 Ca -0.16 -1.74 0.08 0.00 0.00 0.00 0.00 46.02 44.19 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 4.56 0.00 -0.01 1.61 0.11 -1.76 -2.49 132.00 134.03 2a59 h PRO 16 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 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 0.09 -0.26 0.39 -0.21 0.00 0.00 178.00 178.52 2a59 n GLU 17 N -4.32 1.22 -2.24 1.05 1.02 -1.26 -4.41 120.64 111.70 2a59 n GLU 17 Ca -0.03 -0.85 -0.41 0.00 -0.02 0.00 0.00 57.16 55.86 2a59 n GLU 17 Cb 0.17 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.37 4.47 -0.27 -4.62 1.43 -0.94 -5.01 118.68 111.37 2a59 s LEU 18 Ca 0.25 2.52 -0.03 0.00 -1.03 0.00 0.00 54.13 55.84 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 0.49 -0.41 -0.01 -0.13 0.23 0.00 0.00 176.35 176.52 2a59 s ARG 19 N -1.51 2.86 -0.06 1.70 0.52 -1.26 -4.74 118.95 116.46 2a59 s ARG 19 Ca 0.48 -0.98 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 2a59 s ARG 19 Cb -0.37 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 2a59 s ARG 19 CO 0.48 -0.44 -0.13 0.42 0.02 0.00 0.00 175.30 175.65 2a59 s ILE 20 N 1.37 3.20 -0.09 1.52 1.09 -0.65 -0.21 121.20 127.43 2a59 s ILE 20 Ca 0.00 -0.66 -0.00 0.00 -1.10 0.00 0.00 60.65 58.88 2a59 s ILE 20 Cb -0.17 -2.28 -0.03 0.00 -1.06 0.00 0.00 42.46 38.92 2a59 s ILE 20 CO -0.02 0.59 -0.06 -0.22 -0.10 0.00 0.00 174.94 175.12 2a59 s LEU 21 N -0.65 3.17 -0.16 2.97 2.96 -0.55 -1.51 118.68 124.91 2a59 s LEU 21 Ca 0.10 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2a59 s LEU 21 Cb -0.11 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.90 2a59 s LEU 21 CO 0.01 0.31 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.61 2a59 s ILE 22 N -0.47 1.41 -0.16 6.68 1.01 -0.01 -0.76 121.20 128.90 2a59 s ILE 22 Ca 0.07 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 60.06 2a59 s ILE 22 Cb -0.12 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.92 2a59 s ILE 22 CO 0.02 0.32 -0.15 -0.69 0.00 0.00 0.00 174.94 174.44 2a59 s VAL 23 N 1.53 2.64 0.10 2.92 1.01 -0.72 -0.82 120.40 127.07 2a59 s VAL 23 Ca 0.03 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.30 2a59 s VAL 23 Cb -0.14 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2a59 s VAL 23 CO -0.09 0.51 -0.15 -1.38 0.00 0.00 0.00 175.10 173.99 2a59 s HIS 24 N 0.94 1.38 0.79 5.22 -3.43 -1.01 -0.99 115.29 118.19 2a59 s HIS 24 Ca -0.03 -0.51 -0.07 0.00 -0.80 0.00 0.00 55.06 53.65 2a59 s HIS 24 Cb -0.15 -0.74 0.13 0.00 -1.43 0.00 0.00 32.58 30.39 2a59 s HIS 24 CO -0.02 0.12 1.10 0.00 -2.00 0.00 0.00 174.74 173.94 2a59 s ALA 25 N -1.76 3.10 -0.72 -1.38 0.00 -0.46 -1.06 121.76 119.48 2a59 s ALA 25 Ca 0.05 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 50.73 2a59 s ALA 25 Cb -0.07 -2.41 0.10 0.00 0.00 0.00 0.00 23.12 20.75 2a59 s ALA 25 CO 0.03 -1.71 0.89 0.54 0.00 0.00 0.00 175.76 175.51 2a59 n ARG 26 N -3.14 1.13 -2.61 0.00 1.74 0.02 -4.77 116.66 109.02 2a59 n ARG 26 Ca 0.13 -1.27 -0.40 0.00 -0.77 0.00 0.00 57.85 55.54 2a59 n ARG 26 Cb 0.60 -1.14 -0.05 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 -0.73 3.76 -1.24 -1.55 1.51 -1.20 -3.66 117.35 114.23 2a59 s TYR 27 Ca 0.10 1.80 -0.00 0.00 -1.01 0.00 0.00 57.07 57.96 2a59 s TYR 27 Cb 0.06 -3.13 0.00 0.00 -0.11 0.00 0.00 41.96 38.78 2a59 s TYR 27 CO 0.09 -0.07 0.89 0.09 -1.11 0.00 0.00 175.55 175.43 2a59 n ASN 28 N 1.25 -1.71 -0.07 2.29 3.02 -1.26 -4.56 115.26 114.22 2a59 n ASN 28 Ca -0.01 -0.69 0.20 0.00 -0.03 0.00 0.00 54.58 54.05 2a59 n ASN 28 Cb 0.46 -4.74 0.64 0.00 -0.61 0.00 0.00 39.78 35.53 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 -1.89 0.11 -1.68 3.41 5.85 -1.92 -0.88 115.31 118.30 2a59 h LEU 29 Ca -0.60 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.20 2a59 h LEU 29 Cb 1.35 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 2a59 h LEU 29 CO 0.52 0.06 0.33 1.56 -0.34 0.00 0.00 178.44 180.57 2a59 h GLN 30 N 0.12 0.37 0.03 1.25 1.08 -1.93 -1.60 115.11 114.43 2a59 h GLN 30 Ca 0.31 -0.02 -0.32 0.00 -1.45 0.00 0.00 58.65 57.17 2a59 h GLN 30 Cb 1.07 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.37 2a59 h GLN 30 CO -0.04 0.24 -1.84 0.00 -0.95 0.00 0.00 178.83 176.25 2a59 n ALA 31 N -2.52 1.36 -0.07 3.87 0.00 -0.39 -4.45 120.51 118.32 2a59 n ALA 31 Ca 0.07 -0.77 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 2a59 n ALA 31 Cb 0.28 -0.75 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 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 1.31 -0.17 0.00 2.04 -0.88 -3.21 117.51 116.62 2a59 h ILE 32 Ca -0.34 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.39 2a59 h ILE 32 Cb 2.03 1.68 -0.06 0.00 -0.74 0.00 0.00 36.82 39.73 2a59 h ILE 32 CO 0.07 0.35 -0.20 -0.33 0.00 0.00 0.00 178.15 178.05 2a59 h GLU 33 N 0.09 -0.23 -0.89 2.37 5.08 -1.53 -1.14 114.58 118.34 2a59 h GLU 33 Ca 0.04 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 2a59 h GLU 33 Cb 0.60 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2a59 h GLU 33 CO 0.03 -0.15 0.58 -1.35 -1.00 0.00 0.00 179.01 177.12 2a59 h PRO 34 N -0.23 0.91 -0.15 2.33 0.11 -1.78 -1.02 132.00 132.16 2a59 h PRO 34 Ca 0.11 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 2a59 h PRO 34 Cb 0.40 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 2a59 h PRO 34 CO -0.31 0.60 0.07 -0.07 -0.21 0.00 0.00 178.00 178.09 2a59 h LEU 35 N 0.94 0.20 -0.18 2.35 3.38 -1.33 0.08 115.31 120.75 2a59 h LEU 35 Ca 0.40 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 2a59 h LEU 35 Cb 0.32 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2a59 h LEU 35 CO -0.16 0.27 0.10 0.58 0.09 0.00 0.00 178.44 179.31 2a59 h VAL 36 N 0.12 1.09 -0.09 1.22 2.07 -0.75 -1.56 116.25 118.36 2a59 h VAL 36 Ca 0.05 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.37 2a59 h VAL 36 Cb 0.12 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 2a59 h VAL 36 CO -0.01 0.09 -0.30 0.11 0.02 0.00 0.00 177.57 177.48 2a59 h LYS 37 N 0.20 -0.39 -0.52 1.57 6.56 -1.05 0.24 116.57 123.18 2a59 h LYS 37 Ca 0.06 0.03 0.09 0.00 -1.06 0.00 0.00 60.65 59.77 2a59 h LYS 37 Cb 0.05 0.09 -0.07 0.00 -0.57 0.00 0.00 32.23 31.73 2a59 h LYS 37 CO -0.01 -0.26 0.11 0.78 -2.06 0.00 0.00 179.45 178.01 2a59 h GLY 38 N -0.40 0.64 0.94 3.86 0.00 -0.84 0.21 103.07 107.47 2a59 h GLY 38 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2a59 h GLY 38 CO -0.31 -0.07 -0.26 0.00 0.00 0.00 0.00 176.54 175.90 2a59 h ALA 39 N 1.40 -0.67 0.34 3.60 0.00 -0.66 -1.57 119.26 121.70 2a59 h ALA 39 Ca 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2a59 h ALA 39 Cb 0.35 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2a59 h ALA 39 CO -0.33 -0.89 -0.28 0.28 0.00 0.00 0.00 179.25 178.03 2a59 h VAL 40 N -0.68 0.41 -0.50 0.00 2.07 -0.48 -2.19 116.25 114.89 2a59 h VAL 40 Ca -0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.55 2a59 h VAL 40 Cb 0.54 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 2a59 h VAL 40 CO 0.08 0.00 0.09 -0.33 0.02 0.00 0.00 177.57 177.43 2a59 h GLU 41 N -0.63 0.21 -0.28 1.57 5.08 -0.62 -1.54 114.58 118.37 2a59 h GLU 41 Ca -0.02 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2a59 h GLU 41 Cb 0.56 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2a59 h GLU 41 CO -0.02 0.14 0.16 1.15 -1.00 0.00 0.00 179.01 179.44 2a59 h THR 42 N 0.22 1.03 -0.41 1.13 2.02 -1.18 0.23 112.91 115.95 2a59 h THR 42 Ca 0.25 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.35 2a59 h THR 42 Cb 0.34 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 2a59 h THR 42 CO -0.34 0.06 0.19 0.24 0.37 0.00 0.00 175.52 176.04 2a59 h MET 43 N 0.33 0.37 0.49 6.66 2.86 -0.88 0.16 114.93 124.91 2a59 h MET 43 Ca 0.11 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2a59 h MET 43 Cb 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2a59 h MET 43 CO -0.05 0.25 -0.23 0.82 1.06 0.00 0.00 176.91 178.75 2a59 h ILE 44 N 0.38 0.33 -0.34 -1.22 2.04 -1.02 -1.31 117.51 116.37 2a59 h ILE 44 Ca 0.18 -0.48 -0.17 0.00 1.00 0.00 0.00 64.86 65.39 2a59 h ILE 44 Cb 0.11 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2a59 h ILE 44 CO -0.15 0.06 -0.46 -0.33 0.00 0.00 0.00 178.15 177.27 2a59 h GLU 45 N -1.01 0.89 0.00 2.37 5.08 -0.55 -2.52 114.58 118.84 2a59 h GLU 45 Ca -0.07 -0.51 -0.07 0.00 -1.00 0.00 0.00 59.36 57.71 2a59 h GLU 45 Cb 0.59 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2a59 h GLU 45 CO 0.11 1.16 -1.71 1.63 -1.00 0.00 0.00 179.01 179.20 2a59 n LYS 46 N -4.03 0.64 0.00 2.33 4.76 0.56 -4.57 118.16 117.85 2a59 n LYS 46 Ca -0.03 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 2a59 n LYS 46 Cb 0.58 -1.64 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 -2.51 0.00 -2.81 2.13 8.25 -0.57 -4.79 115.22 114.92 2a59 n HIS 47 Ca -0.07 -0.35 -0.22 0.00 -0.26 0.00 0.00 57.72 56.81 2a59 n HIS 47 Cb 0.67 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.77 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 -0.35 -5.95 -4.77 0.41 10.43 -0.94 -0.93 116.55 114.44 2a59 n ASP 48 Ca 0.00 -0.19 -0.38 0.00 2.57 0.00 0.00 54.79 56.79 2a59 n ASP 48 Cb 0.24 -4.86 -0.06 0.00 1.84 0.00 0.00 41.12 38.28 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 -3.11 4.21 -0.12 2.53 1.01 -0.78 -3.55 120.40 120.60 2a59 s VAL 49 Ca 0.20 1.85 -0.21 0.00 0.00 0.00 0.00 61.98 63.81 2a59 s VAL 49 Cb -0.09 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2a59 s VAL 49 CO 0.24 0.26 0.60 -0.54 0.00 0.00 0.00 175.10 175.67 2a59 s LYS 50 N -1.76 4.35 0.31 2.72 1.02 -1.26 -4.23 119.74 120.89 2a59 s LYS 50 Ca 0.46 0.66 0.08 0.00 0.02 0.00 0.00 55.97 57.20 2a59 s LYS 50 Cb -0.21 -3.47 0.88 0.00 -0.52 0.00 0.00 37.83 34.51 2a59 s LYS 50 CO 0.26 0.03 1.67 1.25 -0.92 0.00 0.00 175.35 177.64 2a59 h LEU 51 N 7.08 0.33 -2.14 3.17 6.46 -1.95 0.57 115.31 128.83 2a59 h LEU 51 Ca -0.39 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 2a59 h LEU 51 Cb 1.18 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 41.28 2a59 h LEU 51 CO 0.76 -0.10 -0.05 -0.33 -0.62 0.00 0.00 178.44 178.10 2a59 h GLU 52 N 0.32 0.00 -0.46 1.25 3.07 -2.00 -2.56 114.58 114.20 2a59 h GLU 52 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 2a59 h GLU 52 Cb 1.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 2a59 h GLU 52 CO -0.60 0.05 0.00 0.09 -1.40 0.00 0.00 179.01 177.15 2a59 n ASN 53 N -3.35 2.45 -4.16 1.42 5.03 0.20 -4.79 115.26 112.06 2a59 n ASN 53 Ca -0.02 -2.01 -0.34 0.00 0.87 0.00 0.00 54.58 53.08 2a59 n ASN 53 Cb 0.20 -0.31 -0.15 0.00 -1.02 0.00 0.00 39.78 38.50 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 -1.41 2.65 -0.09 2.41 1.01 -0.97 -1.63 121.20 123.16 2a59 s ILE 54 Ca 0.30 -1.19 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 2a59 s ILE 54 Cb 0.16 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2a59 s ILE 54 CO 0.20 0.15 0.23 -1.81 0.00 0.00 0.00 174.94 173.72 2a59 s ASP 55 N 1.27 6.51 -0.25 3.58 1.01 -0.57 -5.01 116.67 123.21 2a59 s ASP 55 Ca -0.02 0.61 0.01 0.00 0.71 0.00 0.00 52.55 53.86 2a59 s ASP 55 Cb -0.17 -2.14 0.06 0.00 1.01 0.00 0.00 42.92 41.68 2a59 s ASP 55 CO -0.05 0.34 -0.05 -0.63 0.21 0.00 0.00 175.17 174.99 2a59 s ILE 56 N -0.81 1.63 0.38 0.77 1.01 -1.26 -0.83 121.20 122.09 2a59 s ILE 56 Ca 0.17 -1.34 0.08 0.00 0.00 0.00 0.00 60.65 59.56 2a59 s ILE 56 Cb -0.13 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2a59 s ILE 56 CO 0.06 -0.13 0.35 -1.61 0.00 0.00 0.00 174.94 173.61 2a59 s GLU 57 N 1.34 2.62 0.06 2.79 0.41 0.00 -5.00 118.70 120.92 2a59 s GLU 57 Ca -0.05 -1.43 -0.07 0.00 -0.41 0.00 0.00 54.97 53.01 2a59 s GLU 57 Cb -0.19 -2.43 -0.01 0.00 -1.78 0.00 0.00 34.13 29.72 2a59 s GLU 57 CO -0.07 -0.08 0.14 -1.54 -0.49 0.00 0.00 175.26 173.22 2a59 s SER 58 N -4.08 0.18 0.13 -0.19 1.04 -1.26 -2.41 113.70 107.11 2a59 s SER 58 Ca 0.45 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2a59 s SER 58 Cb -0.04 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2a59 s SER 58 CO 0.28 -0.64 0.00 0.68 0.98 0.00 0.00 173.24 174.54 2a59 s VAL 59 N -3.43 0.43 0.02 5.02 -7.23 -0.22 -4.90 120.40 110.08 2a59 s VAL 59 Ca 0.02 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.19 2a59 s VAL 59 Cb 0.03 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 2a59 s VAL 59 CO -0.09 -0.61 1.11 -0.65 -0.31 0.00 0.00 175.10 174.56 2a59 h PRO 60 N 2.86 -0.18 -5.07 4.82 0.11 -1.94 -1.83 132.00 130.77 2a59 h PRO 60 Ca -0.36 0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.24 2a59 h PRO 60 Cb 1.19 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 2a59 h PRO 60 CO 0.62 -0.12 -0.54 0.20 -0.21 0.00 0.00 178.00 177.95 2a59 s GLY 61 N -1.22 2.43 0.55 -0.55 0.00 -1.26 -0.80 107.32 106.46 2a59 s GLY 61 Ca -0.03 -1.46 0.25 0.00 0.00 0.00 0.00 44.72 43.48 2a59 s GLY 61 CO 0.12 -1.81 2.03 1.76 0.00 0.00 0.00 173.10 175.19 2a59 h SER 62 N 1.90 0.00 -0.37 1.64 0.02 -1.92 -0.89 113.55 113.92 2a59 h SER 62 Ca -0.37 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 2a59 h SER 62 Cb 1.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 2a59 h SER 62 CO 0.60 0.00 0.17 -0.25 -1.14 0.00 0.00 176.83 176.21 2a59 h TRP 63 N 0.00 0.59 0.00 3.45 2.91 -1.96 -2.00 115.95 118.95 2a59 h TRP 63 Ca 0.18 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.18 2a59 h TRP 63 Cb 0.79 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.25 2a59 h TRP 63 CO 0.00 0.47 0.00 0.39 -1.03 0.00 0.00 178.44 178.27 2a59 n GLU 64 N -4.37 0.19 -0.02 2.65 4.71 -0.34 -4.23 120.64 119.23 2a59 n GLU 64 Ca 0.03 0.19 -0.12 0.00 -0.01 0.00 0.00 57.16 57.24 2a59 n GLU 64 Cb 0.15 -1.73 -0.06 0.00 -1.01 0.00 0.00 31.44 28.78 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 -1.40 -0.50 -4.62 5.85 -1.38 0.45 115.31 113.71 2a59 h LEU 65 Ca 0.00 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.94 2a59 h LEU 65 Cb 0.63 0.57 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2a59 h LEU 65 CO 0.00 -0.43 0.28 -0.65 -0.34 0.00 0.00 178.44 177.30 2a59 h PRO 66 N -0.48 0.54 -0.60 5.25 0.11 -1.77 -0.69 132.00 134.36 2a59 h PRO 66 Ca 0.08 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 2a59 h PRO 66 Cb 0.63 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 2a59 h PRO 66 CO -0.43 0.36 0.15 1.96 -0.21 0.00 0.00 178.00 179.83 2a59 h GLN 67 N 0.56 0.96 -0.25 1.05 4.20 -1.70 -0.96 115.11 118.97 2a59 h GLN 67 Ca 0.21 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2a59 h GLN 67 Cb 0.06 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2a59 h GLN 67 CO -0.12 0.88 0.13 0.78 -0.67 0.00 0.00 178.83 179.83 2a59 h GLY 68 N 0.88 0.38 1.00 3.46 0.00 0.22 -1.87 103.07 107.14 2a59 h GLY 68 Ca 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a59 h GLY 68 CO 0.00 0.18 0.38 -2.22 0.00 0.00 0.00 176.54 174.88 2a59 h ILE 69 N 0.28 1.18 -0.51 2.60 2.04 -0.98 -2.25 117.51 119.87 2a59 h ILE 69 Ca 0.09 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2a59 h ILE 69 Cb 0.10 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 2a59 h ILE 69 CO -0.01 0.19 0.24 -0.09 0.00 0.00 0.00 178.15 178.48 2a59 h ARG 70 N 0.85 0.74 -0.14 2.37 2.43 -1.01 0.16 114.38 119.78 2a59 h ARG 70 Ca 0.23 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2a59 h ARG 70 Cb -0.03 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2a59 h ARG 70 CO -0.04 0.62 0.09 0.00 -1.51 0.00 0.00 179.97 179.12 2a59 h ALA 71 N 1.08 0.17 -0.59 2.80 0.00 -1.18 -2.51 119.26 119.03 2a59 h ALA 71 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2a59 h ALA 71 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2a59 h ALA 71 CO -0.02 -0.34 0.21 0.77 0.00 0.00 0.00 179.25 179.87 2a59 h SER 72 N 0.18 0.84 -0.44 0.00 0.02 -1.20 -2.24 113.55 110.71 2a59 h SER 72 Ca 0.05 -0.19 0.10 0.00 -0.84 0.00 0.00 61.79 60.92 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 -0.01 0.80 0.31 0.40 -1.14 0.00 0.00 176.83 177.18 2a59 h ILE 73 N 0.83 0.84 0.14 3.27 1.08 -0.79 -1.15 117.51 121.73 2a59 h ILE 73 Ca 0.19 -0.04 -0.29 0.00 -0.39 0.00 0.00 64.86 64.33 2a59 h ILE 73 Cb 0.24 0.70 0.02 0.00 -3.07 0.00 0.00 36.82 34.72 2a59 h ILE 73 CO -0.01 0.02 -1.27 0.00 -0.69 0.00 0.00 178.15 176.20 2a59 h ALA 74 N 1.78 0.03 0.19 1.87 0.00 -1.00 -3.38 119.26 118.74 2a59 h ALA 74 Ca 0.21 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2a59 h ALA 74 Cb 0.65 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2a59 h ALA 74 CO -0.02 0.78 -0.09 0.00 0.00 0.00 0.00 179.25 179.91 2a59 h ARG 75 N 0.19 -0.25 0.00 0.00 2.47 -0.67 -3.47 114.38 112.65 2a59 h ARG 75 Ca -0.18 0.02 -0.20 0.00 -1.26 0.00 0.00 59.98 58.36 2a59 h ARG 75 Cb 1.95 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 30.31 2a59 h ARG 75 CO 0.23 -0.17 -0.09 0.09 0.56 0.00 0.00 179.97 180.59 2a59 n ASN 76 N -2.81 1.60 -4.30 7.04 3.02 -0.71 -5.11 115.26 113.99 2a59 n ASN 76 Ca -0.03 -1.66 -0.33 0.00 -0.03 0.00 0.00 54.58 52.53 2a59 n ASN 76 Cb 0.10 -0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.93 2.75 0.10 3.41 2.01 -1.26 -4.63 115.64 117.09 2a59 s THR 77 Ca 0.11 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.40 2a59 s THR 77 Cb -0.01 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 2a59 s THR 77 CO 0.07 0.52 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.08 2a59 s TYR 78 N 0.59 1.25 -0.13 4.92 2.02 -1.26 -4.91 117.35 119.83 2a59 s TYR 78 Ca -0.09 -0.56 0.17 0.00 -0.37 0.00 0.00 57.07 56.22 2a59 s TYR 78 Cb -0.16 -0.67 -0.10 0.00 -0.40 0.00 0.00 41.96 40.63 2a59 s TYR 78 CO 0.03 0.08 0.91 -0.44 -1.57 0.00 0.00 175.55 174.57 2a59 h ASP 79 N 3.72 0.00 -4.76 2.29 5.19 -0.98 -3.48 116.42 118.40 2a59 h ASP 79 Ca -0.39 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.02 2a59 h ASP 79 Cb 1.19 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.53 2a59 h ASP 79 CO 0.49 0.53 0.32 0.00 -3.12 0.00 0.00 179.24 177.46 2a59 s ALA 80 N -2.96 -1.77 0.02 3.45 0.00 -1.23 -4.25 121.76 115.02 2a59 s ALA 80 Ca -0.02 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.09 2a59 s ALA 80 Cb 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 2a59 s ALA 80 CO 0.80 -0.51 -0.08 0.54 0.00 0.00 0.00 175.76 176.52 2a59 s VAL 81 N -2.11 0.57 -0.17 0.00 0.11 -0.46 -1.48 120.40 116.86 2a59 s VAL 81 Ca -0.04 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 2a59 s VAL 81 Cb -0.00 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.30 2a59 s VAL 81 CO -0.00 -0.08 -0.16 -0.63 -3.33 0.00 0.00 175.10 170.89 2a59 s ILE 82 N -0.70 2.47 -0.28 7.04 1.01 0.07 -0.01 121.20 130.80 2a59 s ILE 82 Ca -0.02 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 2a59 s ILE 82 Cb -0.06 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2a59 s ILE 82 CO 0.00 0.52 0.31 -0.83 0.00 0.00 0.00 174.94 174.93 2a59 s GLY 83 N 1.07 1.90 -0.12 6.18 0.00 -0.56 -1.76 107.32 114.04 2a59 s GLY 83 Ca -0.00 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.81 2a59 s GLY 83 CO -0.05 0.86 -0.22 -0.42 0.00 0.00 0.00 173.10 173.27 2a59 s ILE 84 N 1.95 2.01 0.17 0.90 1.01 -0.16 0.48 121.20 127.56 2a59 s ILE 84 Ca 0.12 -0.97 -0.21 0.00 0.00 0.00 0.00 60.65 59.59 2a59 s ILE 84 Cb -0.16 -1.76 0.06 0.00 0.01 0.00 0.00 42.46 40.61 2a59 s ILE 84 CO 0.10 0.54 0.58 -0.83 0.00 0.00 0.00 174.94 175.33 2a59 s GLY 85 N 0.64 -0.49 -0.16 6.18 0.00 -0.60 -1.36 107.32 111.53 2a59 s GLY 85 Ca -0.12 0.30 -0.02 0.00 0.00 0.00 0.00 44.72 44.89 2a59 s GLY 85 CO 0.02 0.04 -0.00 0.14 0.00 0.00 0.00 173.10 173.30 2a59 s VAL 86 N -3.78 0.71 -0.19 1.40 1.01 -1.26 -1.20 120.40 117.09 2a59 s VAL 86 Ca 0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 2a59 s VAL 86 Cb -0.01 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2a59 s VAL 86 CO -0.11 0.01 0.01 -0.76 0.00 0.00 0.00 175.10 174.26 2a59 s LEU 87 N 1.80 3.39 -0.08 3.92 1.43 0.56 -4.80 118.68 124.90 2a59 s LEU 87 Ca 0.01 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 2a59 s LEU 87 Cb -0.15 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 2a59 s LEU 87 CO -0.07 0.11 -0.17 -0.63 0.23 0.00 0.00 176.35 175.82 2a59 s ILE 88 N 0.74 2.79 0.23 -0.59 1.01 -1.26 -1.44 121.20 122.67 2a59 s ILE 88 Ca 0.01 -0.79 -0.32 0.00 0.00 0.00 0.00 60.65 59.54 2a59 s ILE 88 Cb -0.14 -2.10 -0.13 0.00 0.01 0.00 0.00 42.46 40.10 2a59 s ILE 88 CO 0.02 0.56 1.60 1.17 0.00 0.00 0.00 174.94 178.30 2a59 n LYS 89 N 2.87 2.48 0.00 2.79 0.00 -0.65 -4.84 118.16 120.81 2a59 n LYS 89 Ca -0.18 0.89 0.00 0.00 0.00 0.00 0.00 58.31 59.03 2a59 n LYS 89 Cb 0.52 -2.67 0.00 0.00 0.00 0.00 0.00 35.03 32.88 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 3.03 3.71 0.03 3.14 0.00 -1.26 -4.83 105.19 109.01 2a59 n GLY 90 Ca 0.13 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.21 1.61 7.64 -1.26 -4.95 113.62 114.08 2a59 n SER 91 Ca 0.00 -0.20 -0.11 0.00 1.01 0.00 0.00 58.87 59.57 2a59 n SER 91 Cb 0.00 0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 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 -1.94 0.00 1.50 0.44 -2.24 -1.26 -5.01 114.28 105.78 2a59 n THR 92 Ca 0.02 -0.93 0.12 0.00 -2.27 0.00 0.00 64.05 60.99 2a59 n THR 92 Cb 0.43 -0.31 0.50 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.06 1.52 -0.19 -0.78 0.00 -1.26 -4.26 117.12 111.08 2a59 n MET 93 Ca -0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 57.70 56.91 2a59 n MET 93 Cb 0.27 -1.41 0.05 0.00 0.00 0.00 0.00 33.22 32.13 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 1.65 -0.29 -0.38 2.03 -0.00 -1.97 -2.09 115.15 114.10 2a59 h HIS 94 Ca 0.00 0.05 0.06 0.00 -0.00 0.00 0.00 60.37 60.48 2a59 h HIS 94 Cb 0.36 0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.93 2a59 h HIS 94 CO 0.05 -0.24 0.09 0.35 -0.00 0.00 0.00 177.93 178.18 2a59 h PHE 95 N 0.01 0.15 -0.04 5.26 3.57 -1.89 -1.23 116.94 122.76 2a59 h PHE 95 Ca 0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2a59 h PHE 95 Cb 0.42 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 2a59 h PHE 95 CO -0.46 0.03 0.03 0.93 -2.23 0.00 0.00 178.31 176.61 2a59 h GLU 96 N 0.22 0.05 -0.38 1.11 3.07 -1.70 -1.32 114.58 115.64 2a59 h GLU 96 Ca 0.18 -0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.92 2a59 h GLU 96 Cb 0.20 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2a59 h GLU 96 CO -0.23 0.04 -0.22 1.88 -1.40 0.00 0.00 179.01 179.08 2a59 h TYR 97 N 0.06 0.95 -0.41 4.33 0.05 -1.31 -2.22 116.97 118.41 2a59 h TYR 97 Ca 0.02 -0.25 -0.04 0.00 0.05 0.00 0.00 58.73 58.51 2a59 h TYR 97 Cb -0.01 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 2a59 h TYR 97 CO -0.08 1.01 0.11 0.82 -1.05 0.00 0.00 178.16 178.98 2a59 h ILE 98 N 0.61 1.22 -0.00 -2.88 2.04 -1.22 -1.95 117.51 115.34 2a59 h ILE 98 Ca 0.08 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.21 2a59 h ILE 98 Cb 0.78 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2a59 h ILE 98 CO 0.06 0.26 -0.14 0.28 0.00 0.00 0.00 178.15 178.61 2a59 h SER 99 N 0.52 -0.41 -0.36 1.72 0.02 -1.18 0.62 113.55 114.47 2a59 h SER 99 Ca 0.13 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2a59 h SER 99 Cb 0.29 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2a59 h SER 99 CO -0.00 -0.20 0.21 -0.08 -1.14 0.00 0.00 176.83 175.62 2a59 h GLU 100 N -0.24 0.41 -0.54 3.45 4.81 -1.36 -1.71 114.58 119.40 2a59 h GLU 100 Ca 0.05 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2a59 h GLU 100 Cb 0.30 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2a59 h GLU 100 CO -0.14 0.27 0.06 0.00 -0.73 0.00 0.00 179.01 178.47 2a59 h ALA 101 N 1.16 1.09 -0.22 2.92 0.00 -0.99 -2.17 119.26 121.06 2a59 h ALA 101 Ca 0.14 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2a59 h ALA 101 Cb 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2a59 h ALA 101 CO -0.07 0.59 -0.47 0.28 0.00 0.00 0.00 179.25 179.57 2a59 h VAL 102 N 0.82 1.31 -0.35 0.00 2.07 -0.68 -0.93 116.25 118.49 2a59 h VAL 102 Ca 0.17 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 2a59 h VAL 102 Cb 0.40 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2a59 h VAL 102 CO 0.01 0.53 0.17 0.58 0.02 0.00 0.00 177.57 178.89 2a59 h VAL 103 N 0.42 1.16 -0.60 2.57 2.07 -1.25 0.12 116.25 120.74 2a59 h VAL 103 Ca 0.00 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 2a59 h VAL 103 Cb 1.08 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2a59 h VAL 103 CO 0.10 0.17 0.11 0.45 0.02 0.00 0.00 177.57 178.42 2a59 h HIS 104 N 0.43 1.00 -0.25 1.57 3.86 -1.40 -2.47 115.15 117.89 2a59 h HIS 104 Ca 0.12 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2a59 h HIS 104 Cb 0.11 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 2a59 h HIS 104 CO -0.02 0.85 0.16 0.78 0.86 0.00 0.00 177.93 180.56 2a59 h GLY 105 N 1.02 0.36 1.01 2.45 0.00 -0.57 -0.30 103.07 107.04 2a59 h GLY 105 Ca 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2a59 h GLY 105 CO 0.01 0.14 0.41 1.41 0.00 0.00 0.00 176.54 178.51 2a59 h LEU 106 N 0.32 0.94 -0.53 3.11 3.38 -0.88 -1.05 115.31 120.60 2a59 h LEU 106 Ca 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2a59 h LEU 106 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2a59 h LEU 106 CO -0.02 0.77 0.24 -0.03 0.09 0.00 0.00 178.44 179.49 2a59 h MET 107 N 1.03 0.78 -0.17 1.13 4.05 -1.12 -2.40 114.93 118.24 2a59 h MET 107 Ca 0.26 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2a59 h MET 107 Cb 0.04 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 2a59 h MET 107 CO -0.04 0.66 0.10 -0.09 0.23 0.00 0.00 176.91 177.77 2a59 h ARG 108 N 0.71 0.23 -0.90 0.39 2.43 -0.52 -1.21 114.38 115.52 2a59 h ARG 108 Ca 0.18 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 2a59 h ARG 108 Cb 0.15 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 2a59 h ARG 108 CO -0.02 0.19 0.56 0.28 -1.51 0.00 0.00 179.97 179.47 2a59 h VAL 109 N 0.20 1.05 -0.27 0.20 2.07 -1.06 0.35 116.25 118.79 2a59 h VAL 109 Ca 0.06 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2a59 h VAL 109 Cb 0.02 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 2a59 h VAL 109 CO -0.01 0.19 -0.09 1.23 0.02 0.00 0.00 177.57 178.90 2a59 h GLY 110 N 1.02 0.59 1.34 2.17 0.00 -1.18 -1.37 103.07 105.63 2a59 h GLY 110 Ca 0.39 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 2a59 h GLY 110 CO -0.18 0.46 -0.32 1.41 0.00 0.00 0.00 176.54 177.91 2a59 h LEU 111 N 0.29 0.77 -0.10 3.11 3.38 -0.74 0.99 115.31 123.01 2a59 h LEU 111 Ca 0.07 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2a59 h LEU 111 Cb 0.59 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2a59 h LEU 111 CO 0.03 1.03 0.02 0.44 0.09 0.00 0.00 178.44 180.05 2a59 h ASP 112 N 0.63 0.16 1.28 -0.43 5.19 -0.30 -3.29 116.42 119.65 2a59 h ASP 112 Ca 0.07 -0.26 -0.14 0.00 -0.62 0.00 0.00 57.03 56.08 2a59 h ASP 112 Cb 0.85 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 2a59 h ASP 112 CO 0.07 0.38 -0.74 0.77 -3.12 0.00 0.00 179.24 176.61 2a59 h SER 113 N -0.06 0.00 0.00 6.45 4.64 -1.23 -3.47 113.55 119.88 2a59 h SER 113 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 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 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 2a59 n GLY 114 N 1.28 0.85 3.70 -0.77 0.00 0.34 -5.02 105.19 105.57 2a59 n GLY 114 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.34 5.27 0.17 1.61 1.01 -1.19 -5.03 120.40 118.90 2a59 s VAL 115 Ca 0.00 0.60 -0.32 0.00 0.00 0.00 0.00 61.98 62.26 2a59 s VAL 115 Cb 0.00 -3.67 -0.12 0.00 0.00 0.00 0.00 36.38 32.60 2a59 s VAL 115 CO 0.00 0.34 1.75 -2.65 0.00 0.00 0.00 175.10 174.53 2a59 n PRO 116 N 3.91 2.70 -4.03 2.72 -0.02 -1.26 -4.45 135.00 134.57 2a59 n PRO 116 Ca -0.11 0.98 -0.34 0.00 -2.02 0.00 0.00 63.50 62.02 2a59 n PRO 116 Cb 0.52 -2.83 -0.15 0.00 -0.02 0.00 0.00 33.50 31.02 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 1.68 2.50 -0.01 -1.45 1.01 -1.26 -1.35 120.40 121.51 2a59 s VAL 117 Ca 0.78 -1.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 2a59 s VAL 117 Cb -0.52 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2a59 s VAL 117 CO 0.35 0.27 0.60 -0.63 0.00 0.00 0.00 175.10 175.69 2a59 s ILE 118 N 1.28 4.93 -0.62 2.22 1.09 0.99 -4.98 121.20 126.11 2a59 s ILE 118 Ca 0.00 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 0.40 1.01 -0.22 -0.10 0.00 0.00 174.94 175.96 2a59 s LEU 119 N -0.08 4.05 -0.51 2.97 2.96 -1.26 -1.49 118.68 125.32 2a59 s LEU 119 Ca 0.31 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2a59 s LEU 119 Cb -0.18 -2.65 0.44 0.00 0.50 0.00 0.00 46.19 44.30 2a59 s LEU 119 CO 0.17 -1.41 1.57 0.61 -1.32 0.00 0.00 176.35 175.97 2a59 n GLY 120 N 5.23 6.07 3.69 7.98 0.00 0.18 -4.97 105.19 123.37 2a59 n GLY 120 Ca 0.00 -2.54 -0.36 0.00 0.00 0.00 0.00 46.02 43.12 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 -3.73 4.16 -0.18 0.99 0.20 -1.23 -1.56 118.68 117.33 2a59 s LEU 121 Ca 0.56 0.17 -0.05 0.00 0.69 0.00 0.00 54.13 55.50 2a59 s LEU 121 Cb 0.45 -2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 2a59 s LEU 121 CO -0.06 0.12 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.35 2a59 s LEU 122 N 0.74 3.32 -0.48 -0.68 1.43 -0.34 -4.96 118.68 117.71 2a59 s LEU 122 Ca 0.08 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2a59 s LEU 122 Cb -0.12 -1.82 0.12 0.00 0.03 0.00 0.00 46.19 44.40 2a59 s LEU 122 CO 0.02 0.13 0.22 0.42 0.23 0.00 0.00 176.35 177.36 2a59 s THR 123 N 0.63 2.39 0.34 5.49 -4.23 -1.26 -0.32 115.64 118.68 2a59 s THR 123 Ca -0.01 -3.05 0.09 0.00 -1.18 0.00 0.00 61.69 57.53 2a59 s THR 123 Cb -0.14 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 2a59 s THR 123 CO 0.02 -0.77 0.08 0.68 -0.54 0.00 0.00 174.62 174.09 2a59 s VAL 124 N 0.00 2.84 -0.16 2.29 -7.23 -0.52 -5.02 120.40 112.59 2a59 s VAL 124 Ca 0.16 -1.83 0.15 0.00 -1.81 0.00 0.00 61.98 58.65 2a59 s VAL 124 Cb -0.24 -2.89 0.05 0.00 0.56 0.00 0.00 36.38 33.85 2a59 s VAL 124 CO -0.02 -0.19 1.38 -0.07 -0.31 0.00 0.00 175.10 175.89 2a59 h LEU 125 N 1.67 0.00 -7.81 1.32 -0.00 -1.94 -1.74 115.31 106.82 2a59 h LEU 125 Ca -0.43 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.54 2a59 h LEU 125 Cb 1.25 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.85 2a59 h LEU 125 CO 0.65 0.49 0.31 0.54 -0.00 0.00 0.00 178.44 180.43 2a59 s ASN 126 N -6.36 -0.26 0.18 -0.43 2.20 -1.26 -4.11 114.94 104.90 2a59 s ASN 126 Ca 0.03 -0.49 -0.15 0.00 -0.94 0.00 0.00 52.86 51.31 2a59 s ASN 126 Cb 0.08 0.64 0.15 0.00 -2.00 0.00 0.00 41.25 40.11 2a59 s ASN 126 CO 0.75 -1.17 1.66 -0.33 -2.94 0.00 0.00 177.10 175.07 2a59 h GLU 127 N 2.00 0.02 -0.62 3.55 4.39 -1.96 -2.65 114.58 119.31 2a59 h GLU 127 Ca -0.22 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.61 2a59 h GLU 127 Cb 1.25 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.79 2a59 h GLU 127 CO 0.25 0.01 -0.02 0.93 -1.16 0.00 0.00 179.01 179.03 2a59 h GLU 128 N 0.02 0.10 -0.77 2.33 3.07 -1.99 0.48 114.58 117.82 2a59 h GLU 128 Ca 0.23 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.12 2a59 h GLU 128 Cb 0.35 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 2a59 h GLU 128 CO -0.47 0.06 0.51 1.96 -1.40 0.00 0.00 179.01 179.67 2a59 h GLN 129 N 0.10 0.92 0.43 2.33 4.20 -1.90 -0.23 115.11 120.95 2a59 h GLN 129 Ca 0.32 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 2a59 h GLN 129 Cb 0.52 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2a59 h GLN 129 CO -0.54 0.61 -0.21 0.00 -0.67 0.00 0.00 178.83 178.02 2a59 h ALA 130 N 1.55 -0.57 -0.84 3.87 0.00 -0.92 -2.57 119.26 119.77 2a59 h ALA 130 Ca 0.31 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.19 2a59 h ALA 130 Cb 0.04 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 2a59 h ALA 130 CO -0.09 -0.64 0.40 -0.07 0.00 0.00 0.00 179.25 178.86 2a59 h LEU 131 N -0.94 0.44 -0.69 0.00 4.07 -0.88 -0.99 115.31 116.32 2a59 h LEU 131 Ca -0.06 0.11 0.01 0.00 0.08 0.00 0.00 57.88 58.02 2a59 h LEU 131 Cb 0.56 0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.32 2a59 h LEU 131 CO 0.10 0.15 0.45 0.22 -1.08 0.00 0.00 178.44 178.28 2a59 h TYR 132 N 0.54 0.86 0.00 1.13 3.20 -1.03 -0.86 116.97 120.81 2a59 h TYR 132 Ca 0.48 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.37 2a59 h TYR 132 Cb 0.74 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2a59 h TYR 132 CO -0.12 0.54 0.00 0.54 -1.64 0.00 0.00 178.16 177.48 2a59 n ARG 133 N -4.61 0.65 -0.34 1.82 1.74 -0.46 -2.29 116.66 113.18 2a59 n ARG 133 Ca 0.06 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 2a59 n ARG 133 Cb 0.02 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.27 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 2.39 -0.43 7.54 0.00 -0.39 -1.54 120.51 126.93 2a59 n ALA 134 Ca 0.18 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2a59 n ALA 134 Cb 0.18 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.64 0.86 3.94 0.00 0.00 -0.97 -4.53 105.19 106.14 2a59 n GLY 135 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 2.91 -1.66 0.99 1.02 -0.83 -4.11 118.68 117.01 2a59 s LEU 136 Ca 0.00 0.29 -0.10 0.00 0.02 0.00 0.00 54.13 54.34 2a59 s LEU 136 Cb 0.00 -2.93 0.10 0.00 0.02 0.00 0.00 46.19 43.37 2a59 s LEU 136 CO 0.00 -1.59 0.36 0.59 0.02 0.00 0.00 176.35 175.73 2a59 n ASN 137 N -2.85 -0.72 0.00 2.29 5.03 -1.26 -0.50 115.26 117.24 2a59 n ASN 137 Ca 0.09 -1.19 0.00 0.00 0.87 0.00 0.00 54.58 54.35 2a59 n ASN 137 Cb 0.60 -1.99 0.00 0.00 -1.02 0.00 0.00 39.78 37.37 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 -1.86 0.90 3.93 7.41 0.00 -1.26 -4.97 105.19 109.34 2a59 n GLY 138 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 1.69 -0.19 -0.02 0.00 0.34 -5.07 107.32 102.27 2a59 s GLY 139 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.61 2a59 s GLY 139 CO 0.00 -0.51 0.18 -1.58 0.00 0.00 0.00 173.10 171.19 2a59 s HIS 140 N -3.38 3.42 -0.24 1.90 5.65 -1.21 -4.24 115.29 117.20 2a59 s HIS 140 Ca 0.63 0.40 -0.29 0.00 0.25 0.00 0.00 55.06 56.05 2a59 s HIS 140 Cb -0.09 -2.23 -0.02 0.00 -1.18 0.00 0.00 32.58 29.06 2a59 s HIS 140 CO 0.46 0.25 1.50 1.21 -0.65 0.00 0.00 174.74 177.51 2a59 s ASN 141 N 0.46 6.51 0.47 9.88 3.84 -1.26 -3.48 114.94 131.35 2a59 s ASN 141 Ca 0.11 1.51 0.29 0.00 0.21 0.00 0.00 52.86 54.97 2a59 s ASN 141 Cb -0.12 -2.53 0.95 0.00 -0.55 0.00 0.00 41.25 39.00 2a59 s ASN 141 CO 0.00 -1.16 1.82 0.45 -2.79 0.00 0.00 177.10 175.42 2a59 h HIS 142 N 10.09 0.00 -0.35 0.43 3.86 -1.59 -3.02 115.15 124.57 2a59 h HIS 142 Ca -0.31 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.91 2a59 h HIS 142 Cb 1.13 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 2a59 h HIS 142 CO 0.89 0.00 0.23 0.78 0.86 0.00 0.00 177.93 180.70 2a59 h GLY 143 N 2.89 0.46 0.77 2.45 0.00 -1.81 -1.90 103.07 105.93 2a59 h GLY 143 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.17 2a59 h GLY 143 CO 0.00 0.16 -0.15 3.43 0.00 0.00 0.00 176.54 179.98 2a59 h ASN 144 N 0.43 -0.40 -0.84 0.19 -0.26 -1.67 0.19 115.58 113.22 2a59 h ASN 144 Ca 0.13 0.04 0.07 0.00 -0.56 0.00 0.00 56.30 55.99 2a59 h ASN 144 Cb 0.02 0.15 -0.07 0.00 -1.06 0.00 0.00 38.32 37.36 2a59 h ASN 144 CO -0.03 -0.22 0.51 0.44 -1.06 0.00 0.00 177.43 177.07 2a59 h ASP 145 N -0.30 0.77 -0.60 5.81 3.32 -1.54 -0.99 116.42 122.89 2a59 h ASP 145 Ca 0.02 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2a59 h ASP 145 Cb 0.31 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2a59 h ASP 145 CO -0.07 0.47 0.27 -0.50 -1.72 0.00 0.00 179.24 177.69 2a59 h TRP 146 N 0.89 0.92 -0.07 4.55 6.55 -0.83 -0.80 115.95 127.16 2a59 h TRP 146 Ca 0.38 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 60.18 2a59 h TRP 146 Cb 0.25 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.26 2a59 h TRP 146 CO -0.04 0.70 0.03 0.78 -1.05 0.00 0.00 178.44 178.85 2a59 h GLY 147 N 1.00 0.08 1.12 1.49 0.00 0.36 -0.22 103.07 106.91 2a59 h GLY 147 Ca 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 2a59 h GLY 147 CO -0.02 0.01 0.27 1.76 0.00 0.00 0.00 176.54 178.57 2a59 h SER 148 N 0.06 1.03 -0.67 0.19 0.02 -1.04 -2.28 113.55 110.86 2a59 h SER 148 Ca 0.03 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 2a59 h SER 148 Cb 0.01 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 2a59 h SER 148 CO -0.02 0.93 0.27 0.00 -1.14 0.00 0.00 176.83 176.86 2a59 h ALA 149 N 1.21 0.88 -0.02 3.77 0.00 -0.82 -0.58 119.26 123.70 2a59 h ALA 149 Ca 0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2a59 h ALA 149 Cb 0.24 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2a59 h ALA 149 CO -0.02 0.50 0.01 0.00 0.00 0.00 0.00 179.25 179.74 2a59 h ALA 150 N 1.12 0.02 -0.20 0.00 0.00 -0.77 -0.66 119.26 118.77 2a59 h ALA 150 Ca 0.22 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2a59 h ALA 150 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2a59 h ALA 150 CO -0.02 -0.46 0.04 0.28 0.00 0.00 0.00 179.25 179.09 2a59 h VAL 151 N -0.00 0.92 -0.24 0.00 2.07 -1.17 -0.19 116.25 117.63 2a59 h VAL 151 Ca 0.01 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2a59 h VAL 151 Cb 0.03 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2a59 h VAL 151 CO -0.00 0.02 0.11 -0.08 0.02 0.00 0.00 177.57 177.64 2a59 h GLU 152 N 0.12 0.23 -0.09 1.57 4.81 -0.91 -1.96 114.58 118.35 2a59 h GLU 152 Ca 0.09 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2a59 h GLU 152 Cb 0.08 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2a59 h GLU 152 CO -0.11 0.15 -0.36 0.52 -0.73 0.00 0.00 179.01 178.48 2a59 h MET 153 N 0.24 0.18 -0.40 1.92 2.86 -0.92 -1.76 114.93 117.05 2a59 h MET 153 Ca 0.10 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2a59 h MET 153 Cb 0.04 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2a59 h MET 153 CO -0.08 0.52 0.09 0.78 1.06 0.00 0.00 176.91 179.28 2a59 h GLY 154 N 1.14 0.70 0.71 8.32 0.00 -0.66 -1.84 103.07 111.44 2a59 h GLY 154 Ca 0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2a59 h GLY 154 CO 0.05 0.42 -0.06 1.41 0.00 0.00 0.00 176.54 178.36 2a59 h LEU 155 N 0.51 -0.14 -2.57 3.11 3.38 -1.19 -2.71 115.31 115.70 2a59 h LEU 155 Ca 0.12 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2a59 h LEU 155 Cb 0.33 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2a59 h LEU 155 CO 0.00 0.16 0.12 0.11 0.09 0.00 0.00 178.44 178.93 2a59 h LYS 156 N -0.46 0.00 -0.00 1.13 1.57 -1.30 0.10 116.57 117.61 2a59 h LYS 156 Ca -0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 2a59 h LYS 156 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2a59 h LYS 156 CO 0.03 0.00 -0.79 0.00 -0.57 0.00 0.00 179.45 178.12 2a59 h ALA 157 N 1.78 0.68 -0.02 3.86 0.00 -1.00 -3.51 119.26 121.05 2a59 h ALA 157 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2a59 h ALA 157 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2a59 h ALA 157 CO -0.00 0.95 0.00 1.28 0.00 0.00 0.00 179.25 181.48