#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hyb s LYS 2 N 0.00 4.09 0.19 0.03 1.02 -1.26 0.07 119.74 123.88 2hyb s LYS 2 Ca 0.00 -0.17 0.07 0.00 0.02 0.00 0.00 55.97 55.90 2hyb s LYS 2 Cb 0.00 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 2hyb s LYS 2 CO 0.00 0.04 0.04 -0.06 -0.92 0.00 0.00 175.35 174.44 2hyb s PHE 3 N 1.12 2.90 -0.27 3.18 0.08 0.27 0.05 117.98 125.31 2hyb s PHE 3 Ca 0.10 -0.12 -0.03 0.00 0.12 0.00 0.00 56.93 57.00 2hyb s PHE 3 Cb -0.14 -1.38 0.09 0.00 -0.57 0.00 0.00 43.02 41.02 2hyb s PHE 3 CO 0.05 0.53 0.11 0.00 -0.10 0.00 0.00 175.22 175.81 2hyb s ALA 4 N -1.84 0.90 -0.14 5.36 0.00 -0.25 0.40 121.76 126.20 2hyb s ALA 4 Ca 0.29 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 2hyb s ALA 4 Cb -0.09 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2hyb s ALA 4 CO 0.20 -1.56 0.37 -0.51 0.00 0.00 0.00 175.76 174.27 2hyb s LEU 5 N 1.94 4.26 -0.17 0.00 1.43 -0.84 -1.56 118.68 123.74 2hyb s LEU 5 Ca 0.07 0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2hyb s LEU 5 Cb -0.16 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2hyb s LEU 5 CO -0.28 0.06 -0.14 -1.58 0.23 0.00 0.00 176.35 174.65 2hyb s GLN 6 N 0.50 3.22 -0.24 1.70 0.74 -0.64 -1.24 119.66 123.70 2hyb s GLN 6 Ca 0.21 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 54.89 2hyb s GLN 6 Cb -0.14 -2.70 0.04 0.00 1.10 0.00 0.00 33.01 31.30 2hyb s GLN 6 CO 0.07 -0.06 -0.11 0.42 -0.55 0.00 0.00 175.29 175.06 2hyb s ILE 7 N 1.03 2.46 -2.90 -2.34 1.01 -0.70 0.23 121.20 119.99 2hyb s ILE 7 Ca -0.01 -1.22 0.25 0.00 0.00 0.00 0.00 60.65 59.67 2hyb s ILE 7 Cb -0.15 -2.27 0.26 0.00 0.01 0.00 0.00 42.46 40.31 2hyb s ILE 7 CO -0.03 0.19 1.35 0.59 0.00 0.00 0.00 174.94 177.04 2hyb n ASN 8 N 4.58 2.76 -4.44 3.58 3.02 -0.58 -1.97 115.26 122.21 2hyb n ASN 8 Ca -0.17 -1.92 -0.22 0.00 -0.03 0.00 0.00 54.58 52.25 2hyb n ASN 8 Cb 0.46 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.52 2hyb n ASN 8 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2hyb s GLU 9 N -1.99 1.57 0.85 3.52 0.41 -1.26 -2.40 118.70 119.40 2hyb s GLU 9 Ca 0.30 -1.75 -0.12 0.00 -0.41 0.00 0.00 54.97 52.99 2hyb s GLU 9 Cb 0.20 -1.43 0.10 0.00 -1.78 0.00 0.00 34.13 31.22 2hyb s GLU 9 CO 0.31 0.19 1.13 0.20 -0.49 0.00 0.00 175.26 176.59 2hyb s GLY 10 N -3.46 1.60 0.71 -1.39 0.00 -1.08 -3.43 107.32 100.27 2hyb s GLY 10 Ca 0.28 -0.42 -0.14 0.00 0.00 0.00 0.00 44.72 44.44 2hyb s GLY 10 CO 0.12 0.07 1.13 2.56 0.00 0.00 0.00 173.10 176.98 2hyb s PRO 11 N -5.28 2.43 0.00 2.90 0.04 -1.26 -3.92 135.00 129.91 2hyb s PRO 11 Ca 0.62 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2hyb s PRO 11 Cb -0.14 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2hyb s PRO 11 CO 0.53 -1.55 0.00 0.66 0.04 0.00 0.00 177.00 176.68 2hyb n TYR 12 N -2.79 0.00 -0.22 0.56 4.02 -1.26 -4.42 117.16 113.05 2hyb n TYR 12 Ca 0.11 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 58.01 2hyb n TYR 12 Cb 0.52 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 39.96 2hyb n TYR 12 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 2hyb h GLN 13 N 0.00 0.48 -5.80 -0.72 5.75 -1.99 -3.42 115.11 109.40 2hyb h GLN 13 Ca 0.00 -0.03 -0.49 0.00 -0.15 0.00 0.00 58.65 57.98 2hyb h GLN 13 Cb 0.00 -0.11 -0.19 0.00 1.07 0.00 0.00 27.48 28.26 2hyb h GLN 13 CO 0.00 0.32 -0.78 -1.01 -2.65 0.00 0.00 178.83 174.71 2hyb s HIS 14 N -6.08 1.68 -0.08 3.99 3.76 -1.25 -5.05 115.29 112.26 2hyb s HIS 14 Ca -0.13 -0.49 0.27 0.00 -0.15 0.00 0.00 55.06 54.56 2hyb s HIS 14 Cb 0.17 -0.86 0.83 0.00 1.11 0.00 0.00 32.58 33.84 2hyb s HIS 14 CO 0.75 0.25 1.79 0.37 -0.85 0.00 0.00 174.74 177.05 2hyb h GLN 15 N 3.45 0.00 -0.22 1.40 4.15 -1.89 -3.38 115.11 118.62 2hyb h GLN 15 Ca -0.42 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.02 2hyb h GLN 15 Cb 1.20 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 2hyb h GLN 15 CO 0.49 0.09 -0.13 0.00 -1.93 0.00 0.00 178.83 177.36 2hyb n ALA 16 N -2.13 -0.14 -0.22 3.38 0.00 -1.26 -0.68 120.51 119.46 2hyb n ALA 16 Ca 0.02 0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.64 2hyb n ALA 16 Cb 0.44 0.05 0.11 0.00 0.00 0.00 0.00 19.45 20.05 2hyb n ALA 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2hyb h SER 17 N 0.00 0.38 -0.28 0.00 0.87 -1.83 -0.83 113.55 111.85 2hyb h SER 17 Ca 0.03 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2hyb h SER 17 Cb 0.09 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 2hyb h SER 17 CO -0.20 0.23 0.16 0.44 -0.53 0.00 0.00 176.83 176.92 2hyb h ASP 18 N 0.53 0.26 -0.29 6.23 3.32 -1.18 0.18 116.42 125.47 2hyb h ASP 18 Ca 0.31 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.38 2hyb h ASP 18 Cb 0.32 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2hyb h ASP 18 CO -0.26 0.19 0.15 0.28 -1.72 0.00 0.00 179.24 177.88 2hyb h SER 19 N 0.33 0.23 -0.62 6.45 0.02 -0.59 0.11 113.55 119.47 2hyb h SER 19 Ca 0.11 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2hyb h SER 19 Cb 0.01 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2hyb h SER 19 CO -0.06 0.17 0.34 0.00 -1.14 0.00 0.00 176.83 176.14 2hyb h ALA 20 N 1.14 0.79 0.10 3.77 0.00 -0.95 0.30 119.26 124.41 2hyb h ALA 20 Ca 0.12 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2hyb h ALA 20 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2hyb h ALA 20 CO -0.07 0.31 -0.13 -0.92 0.00 0.00 0.00 179.25 178.43 2hyb h TYR 21 N 0.84 -0.34 -0.93 0.00 3.20 -0.42 0.36 116.97 119.68 2hyb h TYR 21 Ca 0.22 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.13 2hyb h TYR 21 Cb 0.04 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 2hyb h TYR 21 CO -0.01 -0.20 0.60 1.96 -1.64 0.00 0.00 178.16 178.87 2hyb h GLN 22 N -0.27 1.12 0.01 1.82 1.08 -0.33 -0.46 115.11 118.08 2hyb h GLN 22 Ca 0.01 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2hyb h GLN 22 Cb 0.28 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2hyb h GLN 22 CO -0.06 0.74 -0.01 0.35 -0.95 0.00 0.00 178.83 178.91 2hyb h PHE 23 N 1.16 -0.02 0.26 2.96 3.57 0.16 -2.11 116.94 122.93 2hyb h PHE 23 Ca 0.38 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.88 2hyb h PHE 23 Cb 0.03 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2hyb h PHE 23 CO -0.01 0.01 -0.27 0.00 -2.23 0.00 0.00 178.31 175.81 2hyb h ALA 24 N 0.95 -0.55 -0.90 2.41 0.00 0.36 -0.42 119.26 121.12 2hyb h ALA 24 Ca -0.00 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2hyb h ALA 24 Cb 0.03 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2hyb h ALA 24 CO 0.00 -0.84 0.58 -0.22 0.00 0.00 0.00 179.25 178.77 2hyb h LYS 25 N -0.56 0.90 -0.09 0.00 3.64 -1.08 0.29 116.57 119.67 2hyb h LYS 25 Ca -0.01 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 2hyb h LYS 25 Cb 0.52 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2hyb h LYS 25 CO -0.06 0.60 -0.60 0.00 -2.27 0.00 0.00 179.45 177.12 2hyb h ALA 26 N 1.54 0.82 -0.01 5.00 0.00 -1.10 -1.20 119.26 124.31 2hyb h ALA 26 Ca 0.41 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2hyb h ALA 26 Cb 0.35 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2hyb h ALA 26 CO -0.17 0.72 -0.56 0.00 0.00 0.00 0.00 179.25 179.24 2hyb h ALA 27 N 1.15 0.08 -0.07 0.00 0.00 -0.06 -2.93 119.26 117.44 2hyb h ALA 27 Ca -0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2hyb h ALA 27 Cb 1.10 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2hyb h ALA 27 CO 0.10 0.33 0.04 -0.07 0.00 0.00 0.00 179.25 179.64 2hyb h LEU 28 N -0.13 0.08 -2.17 0.00 3.38 -0.46 -2.08 115.31 113.93 2hyb h LEU 28 Ca -0.07 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.89 2hyb h LEU 28 Cb 1.27 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2hyb h LEU 28 CO 0.11 0.11 0.13 -0.33 0.09 0.00 0.00 178.44 178.56 2hyb h GLU 29 N 0.04 0.00 -0.00 1.13 5.08 -1.29 0.97 114.58 120.51 2hyb h GLU 29 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2hyb h GLU 29 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2hyb h GLU 29 CO -0.00 0.00 -0.00 1.63 -1.00 0.00 0.00 179.01 179.63 2hyb n LYS 30 N -4.13 0.95 -0.20 2.33 5.02 -0.83 -4.89 118.16 116.41 2hyb n LYS 30 Ca 0.01 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2hyb n LYS 30 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2hyb n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hyb n GLY 31 N 1.05 0.70 3.77 0.72 0.00 0.34 -5.06 105.19 106.71 2hyb n GLY 31 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2hyb n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hyb s HIS 32 N -2.48 2.32 -0.11 1.61 3.76 -0.89 -4.77 115.29 114.73 2hyb s HIS 32 Ca 0.00 0.82 0.02 0.00 -0.15 0.00 0.00 55.06 55.75 2hyb s HIS 32 Cb 0.00 -3.41 -0.01 0.00 1.11 0.00 0.00 32.58 30.27 2hyb s HIS 32 CO 0.00 -2.52 -0.18 -2.00 -0.85 0.00 0.00 174.74 169.19 2hyb s GLU 33 N -5.28 3.21 -0.47 1.40 2.12 0.11 -4.46 118.70 115.32 2hyb s GLU 33 Ca 0.65 -0.78 -0.17 0.00 0.36 0.00 0.00 54.97 55.03 2hyb s GLU 33 Cb -0.14 -2.47 0.06 0.00 0.26 0.00 0.00 34.13 31.84 2hyb s GLU 33 CO 0.54 0.20 0.46 0.42 -0.54 0.00 0.00 175.26 176.34 2hyb s ILE 34 N 0.33 5.12 0.18 -3.70 1.01 -1.26 0.94 121.20 123.82 2hyb s ILE 34 Ca -0.14 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 2hyb s ILE 34 Cb -0.17 -4.15 0.09 0.00 0.01 0.00 0.00 42.46 38.25 2hyb s ILE 34 CO 0.07 -0.60 1.73 0.15 0.00 0.00 0.00 174.94 176.29 2hyb h PHE 35 N 8.81 1.00 -1.59 3.97 3.57 -0.39 -3.44 116.94 128.88 2hyb h PHE 35 Ca -0.28 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.20 2hyb h PHE 35 Cb 1.11 -0.30 -0.26 0.00 2.79 0.00 0.00 35.95 39.29 2hyb h PHE 35 CO 0.66 0.80 0.47 0.50 -2.23 0.00 0.00 178.31 178.51 2hyb s ARG 36 N -5.50 0.50 -0.32 1.11 3.52 -1.16 -4.54 118.95 112.56 2hyb s ARG 36 Ca -0.13 0.55 -0.07 0.00 -0.13 0.00 0.00 55.73 55.96 2hyb s ARG 36 Cb 0.14 0.24 0.03 0.00 -1.56 0.00 0.00 34.95 33.80 2hyb s ARG 36 CO 0.81 -0.07 0.10 0.08 -0.81 0.00 0.00 175.30 175.41 2hyb s VAL 37 N 0.11 3.88 -0.17 7.11 1.01 -0.87 -1.99 120.40 129.48 2hyb s VAL 37 Ca 0.03 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2hyb s VAL 37 Cb -0.05 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2hyb s VAL 37 CO -0.06 -0.06 -0.08 0.12 0.00 0.00 0.00 175.10 175.02 2hyb s PHE 38 N 1.45 2.91 -0.26 5.22 2.19 -0.37 -0.94 117.98 128.17 2hyb s PHE 38 Ca 0.00 -0.68 -0.09 0.00 0.33 0.00 0.00 56.93 56.49 2hyb s PHE 38 Cb -0.18 -1.96 -0.04 0.00 -1.31 0.00 0.00 43.02 39.53 2hyb s PHE 38 CO 0.03 -0.30 0.14 -0.06 1.83 0.00 0.00 175.22 176.86 2hyb s PHE 39 N 0.75 3.17 0.31 10.12 0.40 -0.27 -1.72 117.98 130.74 2hyb s PHE 39 Ca -0.04 -0.09 0.07 0.00 -0.60 0.00 0.00 56.93 56.28 2hyb s PHE 39 Cb -0.15 -2.31 -0.06 0.00 0.51 0.00 0.00 43.02 41.01 2hyb s PHE 39 CO 0.02 -0.21 -0.05 -0.47 0.70 0.00 0.00 175.22 175.20 2hyb s TYR 40 N 1.61 2.10 0.00 0.36 5.04 -0.83 -2.21 117.35 123.42 2hyb s TYR 40 Ca 0.07 -0.68 0.00 0.00 -2.44 0.00 0.00 57.07 54.02 2hyb s TYR 40 Cb -0.15 -1.24 0.00 0.00 0.35 0.00 0.00 41.96 40.91 2hyb s TYR 40 CO 0.07 0.33 0.00 0.72 -1.34 0.00 0.00 175.55 175.34 2hyb n HIS 41 N -0.67 -0.20 0.07 4.97 8.25 -1.26 -0.31 115.22 126.08 2hyb n HIS 41 Ca -0.05 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.44 2hyb n HIS 41 Cb 0.64 0.08 0.17 0.00 1.12 0.00 0.00 29.99 32.00 2hyb n HIS 41 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2hyb n ASP 42 N -3.36 0.16 -0.20 0.41 8.00 -1.13 -1.35 116.55 119.07 2hyb n ASP 42 Ca 0.00 0.43 0.08 0.00 0.71 0.00 0.00 54.79 56.01 2hyb n ASP 42 Cb 0.00 -0.40 0.37 0.00 -0.02 0.00 0.00 41.12 41.06 2hyb n ASP 42 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2hyb h GLY 43 N 0.00 1.00 1.46 0.44 0.00 -0.30 -1.37 103.07 104.31 2hyb h GLY 43 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2hyb h GLY 43 CO 0.00 0.19 0.21 -0.39 0.00 0.00 0.00 176.54 176.55 2hyb h VAL 44 N 0.73 0.00 0.00 4.60 -1.51 -1.30 -1.04 116.25 117.72 2hyb h VAL 44 Ca 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.82 2hyb h VAL 44 Cb 0.39 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 2hyb h VAL 44 CO -0.13 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.80 2hyb n ASN 45 N -2.24 0.00 -0.11 4.19 5.03 -0.54 -2.70 115.26 118.90 2hyb n ASN 45 Ca -0.01 -0.87 0.15 0.00 0.87 0.00 0.00 54.58 54.72 2hyb n ASN 45 Cb 0.24 -0.04 0.85 0.00 -1.02 0.00 0.00 39.78 39.81 2hyb n ASN 45 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2hyb n ASN 46 N -1.04 0.33 -0.62 6.41 3.02 -0.40 -3.73 115.26 119.24 2hyb n ASN 46 Ca 0.22 -1.08 0.10 0.00 -0.03 0.00 0.00 54.58 53.79 2hyb n ASN 46 Cb 0.13 -0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.33 2hyb n ASN 46 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2hyb n SER 47 N -0.75 2.25 -4.77 6.41 3.41 -1.10 -4.63 113.62 114.43 2hyb n SER 47 Ca 0.22 -1.62 -0.38 0.00 -0.26 0.00 0.00 58.87 56.84 2hyb n SER 47 Cb 0.17 0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 2hyb n SER 47 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2hyb s THR 48 N -1.94 3.74 -2.59 6.66 -1.32 -1.24 0.17 115.64 119.11 2hyb s THR 48 Ca 0.20 1.46 0.24 0.00 -1.21 0.00 0.00 61.69 62.37 2hyb s THR 48 Cb 0.16 -3.81 0.38 0.00 -1.51 0.00 0.00 72.50 67.72 2hyb s THR 48 CO 0.37 0.13 1.44 -2.11 -2.21 0.00 0.00 174.62 172.24 2hyb n ARG 49 N 0.37 2.18 -0.18 7.08 1.85 0.12 -4.43 116.66 123.65 2hyb n ARG 49 Ca 0.03 -1.75 0.06 0.00 -1.00 0.00 0.00 57.85 55.19 2hyb n ARG 49 Cb 0.48 -1.47 0.16 0.00 -1.05 0.00 0.00 32.46 30.59 2hyb n ARG 49 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2hyb n LEU 50 N 1.02 1.89 -4.84 2.89 4.77 -1.26 -4.96 117.00 116.51 2hyb n LEU 50 Ca 0.17 -0.94 -0.32 0.00 -0.03 0.00 0.00 56.01 54.89 2hyb n LEU 50 Cb 0.51 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 2hyb n LEU 50 CO 0.15 0.47 0.52 0.42 -1.33 0.00 0.00 177.39 177.62 2hyb s THR 51 N -1.53 4.57 -0.39 -5.08 -4.23 -1.26 -5.02 115.64 102.69 2hyb s THR 51 Ca 0.24 1.14 0.08 0.00 -1.18 0.00 0.00 61.69 61.97 2hyb s THR 51 Cb 0.13 -3.62 0.26 0.00 1.34 0.00 0.00 72.50 70.61 2hyb s THR 51 CO 0.16 -0.28 0.56 0.41 -0.54 0.00 0.00 174.62 174.94 2hyb n THR 52 N -0.58 -0.60 -1.49 3.99 -1.04 -1.26 -5.12 114.28 108.17 2hyb n THR 52 Ca 0.05 -3.95 -0.33 0.00 -2.04 0.00 0.00 64.05 57.77 2hyb n THR 52 Cb 0.54 -1.59 0.08 0.00 -1.82 0.00 0.00 70.33 67.53 2hyb n THR 52 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2hyb s PRO 53 N -1.23 2.30 0.14 -2.82 0.02 -1.26 -4.92 135.00 127.23 2hyb s PRO 53 Ca 0.35 1.58 -0.35 0.00 0.02 0.00 0.00 61.00 62.61 2hyb s PRO 53 Cb 0.19 -1.87 -0.15 0.00 0.02 0.00 0.00 34.50 32.69 2hyb s PRO 53 CO -0.11 -1.67 1.38 -2.30 -0.33 0.00 0.00 177.00 173.97 2hyb n PRO 54 N -2.76 1.55 0.09 5.54 -0.02 -1.26 -4.87 135.00 133.27 2hyb n PRO 54 Ca 0.12 0.56 0.03 0.00 -2.02 0.00 0.00 63.50 62.18 2hyb n PRO 54 Cb 0.51 -2.21 0.41 0.00 -0.02 0.00 0.00 33.50 32.19 2hyb n PRO 54 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2hyb h GLN 55 N 4.68 0.32 0.00 -0.52 4.20 -1.96 -2.27 115.11 119.56 2hyb h GLN 55 Ca -0.46 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.20 2hyb h GLN 55 Cb 1.31 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2hyb h GLN 55 CO 0.79 0.36 0.00 -0.40 -0.67 0.00 0.00 178.83 178.91 2hyb n ASP 56 N -4.34 0.00 -4.47 1.46 3.85 -1.26 -4.78 116.55 107.01 2hyb n ASP 56 Ca 0.00 -0.94 -0.22 0.00 -0.71 0.00 0.00 54.79 52.92 2hyb n ASP 56 Cb 0.20 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 39.87 2hyb n ASP 56 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2hyb s ASP 57 N -1.85 2.55 0.45 -1.12 3.68 -0.85 -5.13 116.67 114.40 2hyb s ASP 57 Ca 0.30 -1.38 -0.24 0.00 2.13 0.00 0.00 52.55 53.36 2hyb s ASP 57 Cb 0.14 -0.12 -0.07 0.00 -1.45 0.00 0.00 42.92 41.41 2hyb s ASP 57 CO 0.23 -0.59 1.22 0.00 0.13 0.00 0.00 175.17 176.17 2hyb s ARG 58 N -3.87 3.78 -0.91 4.34 3.03 -1.26 -4.82 118.95 119.23 2hyb s ARG 58 Ca 0.36 1.94 -0.11 0.00 2.03 0.00 0.00 55.73 59.95 2hyb s ARG 58 Cb 0.09 -2.52 0.24 0.00 -1.03 0.00 0.00 34.95 31.73 2hyb s ARG 58 CO 0.16 -0.58 0.86 -1.58 -1.13 0.00 0.00 175.30 173.02 2hyb s HIS 59 N -1.42 3.92 0.21 5.89 2.46 -1.26 -4.88 115.29 120.20 2hyb s HIS 59 Ca 0.62 -2.33 -0.18 0.00 0.47 0.00 0.00 55.06 53.64 2hyb s HIS 59 Cb -0.33 -3.75 0.20 0.00 -0.13 0.00 0.00 32.58 28.56 2hyb s HIS 59 CO 0.41 -0.95 1.58 0.82 -2.47 0.00 0.00 174.74 174.12 2hyb h ILE 60 N 4.41 0.14 0.15 0.89 2.04 -1.99 -0.46 117.51 122.68 2hyb h ILE 60 Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 2hyb h ILE 60 Cb 0.97 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2hyb h ILE 60 CO 0.84 0.00 -0.07 0.58 0.00 0.00 0.00 178.15 179.50 2hyb h VAL 61 N -0.09 0.86 -0.88 1.67 2.07 -1.92 -2.30 116.25 115.65 2hyb h VAL 61 Ca 0.29 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.78 2hyb h VAL 61 Cb 0.57 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2hyb h VAL 61 CO -0.78 0.00 0.46 0.78 0.02 0.00 0.00 177.57 178.05 2hyb h ASN 62 N -0.20 1.12 -0.17 0.57 2.35 -1.83 -2.00 115.58 115.42 2hyb h ASN 62 Ca -0.02 -0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.67 2hyb h ASN 62 Cb 0.16 -0.29 -0.06 0.00 0.05 0.00 0.00 38.32 38.18 2hyb h ASN 62 CO 0.03 0.91 -0.23 0.03 -1.65 0.00 0.00 177.43 176.52 2hyb h ARG 63 N 1.24 -0.27 -0.95 0.81 3.08 -0.84 0.30 114.38 117.75 2hyb h ARG 63 Ca 0.31 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.46 2hyb h ARG 63 Cb 0.06 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 2hyb h ARG 63 CO -0.05 -0.18 0.61 -1.49 -1.07 0.00 0.00 179.97 177.80 2hyb h TRP 64 N -0.28 1.07 -0.52 3.04 4.06 -1.12 -0.82 115.95 121.39 2hyb h TRP 64 Ca 0.11 0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.99 2hyb h TRP 64 Cb 0.44 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 2hyb h TRP 64 CO -0.35 0.51 -0.06 0.00 -3.56 0.00 0.00 178.44 174.97 2hyb h ALA 65 N 1.52 0.71 -0.21 1.49 0.00 -0.31 -0.22 119.26 122.23 2hyb h ALA 65 Ca 0.43 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2hyb h ALA 65 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2hyb h ALA 65 CO -0.19 0.58 0.03 0.93 0.00 0.00 0.00 179.25 180.60 2hyb h GLU 66 N 0.83 0.36 -0.72 0.00 5.08 0.31 0.11 114.58 120.54 2hyb h GLU 66 Ca 0.14 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2hyb h GLU 66 Cb 0.61 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2hyb h GLU 66 CO 0.04 0.51 0.31 1.25 -1.00 0.00 0.00 179.01 180.12 2hyb h LEU 67 N 0.15 0.96 -0.81 1.33 5.85 -1.10 0.13 115.31 121.83 2hyb h LEU 67 Ca 0.06 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 2hyb h LEU 67 Cb 0.33 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2hyb h LEU 67 CO 0.01 0.84 0.00 0.00 -0.34 0.00 0.00 178.44 178.95 2hyb h ALA 68 N 1.30 1.00 -0.10 1.25 0.00 -0.80 -1.40 119.26 120.51 2hyb h ALA 68 Ca 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2hyb h ALA 68 Cb 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2hyb h ALA 68 CO -0.03 0.61 0.02 1.49 0.00 0.00 0.00 179.25 181.35 2hyb h GLU 69 N 0.83 0.15 -0.58 0.00 4.57 0.28 0.12 114.58 119.96 2hyb h GLU 69 Ca 0.16 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 2hyb h GLU 69 Cb 0.49 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 2hyb h GLU 69 CO 0.02 0.33 0.10 0.37 -1.18 0.00 0.00 179.01 178.65 2hyb h GLN 70 N -0.05 0.92 -0.19 1.92 4.15 -0.55 -3.24 115.11 118.08 2hyb h GLN 70 Ca 0.03 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2hyb h GLN 70 Cb 0.24 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2hyb h GLN 70 CO 0.00 0.85 0.00 0.66 -1.93 0.00 0.00 178.83 178.41 2hyb n TYR 71 N -4.24 0.50 -3.90 3.99 4.02 -0.55 -5.00 117.16 111.98 2hyb n TYR 71 Ca 0.04 -0.77 -0.40 0.00 -0.01 0.00 0.00 57.90 56.76 2hyb n TYR 71 Cb 0.26 -0.18 0.03 0.00 -0.02 0.00 0.00 39.34 39.43 2hyb n TYR 71 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2hyb n GLU 72 N -0.49 -0.74 -3.06 -0.72 1.02 0.36 -4.92 120.64 112.09 2hyb n GLU 72 Ca 0.15 0.25 -0.35 0.00 -0.02 0.00 0.00 57.16 57.20 2hyb n GLU 72 Cb 0.65 -3.29 -0.06 0.00 -0.02 0.00 0.00 31.44 28.71 2hyb n GLU 72 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2hyb s LEU 73 N -7.01 4.20 -0.60 -4.62 1.43 -0.77 -5.02 118.68 106.28 2hyb s LEU 73 Ca 0.47 1.43 -0.17 0.00 -1.03 0.00 0.00 54.13 54.84 2hyb s LEU 73 Cb -0.22 -3.90 0.14 0.00 0.03 0.00 0.00 46.19 42.24 2hyb s LEU 73 CO 0.92 -0.10 0.60 -0.62 0.23 0.00 0.00 176.35 177.38 2hyb s ASP 74 N -1.93 6.27 -0.32 2.29 2.15 -1.26 -4.92 116.67 118.96 2hyb s ASP 74 Ca 0.50 -1.82 -0.13 0.00 0.43 0.00 0.00 52.55 51.52 2hyb s ASP 74 Cb -0.14 -2.24 -0.02 0.00 -0.30 0.00 0.00 42.92 40.22 2hyb s ASP 74 CO 0.19 -0.89 0.28 -0.04 -0.17 0.00 0.00 175.17 174.54 2hyb s MET 75 N 1.71 3.66 -0.06 4.34 -1.94 -1.26 -2.05 119.30 123.69 2hyb s MET 75 Ca 0.08 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 2hyb s MET 75 Cb -0.25 -3.76 -0.03 0.00 2.01 0.00 0.00 34.83 32.79 2hyb s MET 75 CO 0.02 -0.40 -0.04 0.08 -0.01 0.00 0.00 175.02 174.67 2hyb s VAL 76 N 1.86 3.97 -0.23 -6.03 1.01 -0.12 -1.16 120.40 119.70 2hyb s VAL 76 Ca 0.09 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2hyb s VAL 76 Cb -0.17 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.59 2hyb s VAL 76 CO 0.11 0.57 -0.13 -0.69 0.00 0.00 0.00 175.10 174.96 2hyb s VAL 77 N -0.88 2.36 0.03 2.92 1.01 0.15 -1.11 120.40 124.88 2hyb s VAL 77 Ca 0.14 -1.20 -0.37 0.00 0.00 0.00 0.00 61.98 60.54 2hyb s VAL 77 Cb -0.11 -2.19 -0.16 0.00 0.00 0.00 0.00 36.38 33.91 2hyb s VAL 77 CO 0.03 0.24 1.42 0.00 0.00 0.00 0.00 175.10 176.79 2hyb h VAL 79 N 3.65 1.34 -0.75 0.00 3.04 -1.41 -1.76 116.25 120.36 2hyb h VAL 79 Ca -0.47 -1.32 -0.05 0.00 -1.01 0.00 0.00 66.70 63.85 2hyb h VAL 79 Cb 1.33 1.86 -0.03 0.00 -2.01 0.00 0.00 31.29 32.43 2hyb h VAL 79 CO 0.81 0.39 0.27 0.00 -1.01 0.00 0.00 177.57 178.03 2hyb h ALA 80 N 0.61 1.05 -0.63 3.17 0.00 -1.89 -0.63 119.26 120.96 2hyb h ALA 80 Ca 0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2hyb h ALA 80 Cb 0.69 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2hyb h ALA 80 CO 0.04 0.65 0.13 0.00 0.00 0.00 0.00 179.25 180.07 2hyb h ALA 81 N 1.18 1.05 -0.41 0.00 0.00 -1.93 -2.90 119.26 116.25 2hyb h ALA 81 Ca 0.25 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2hyb h ALA 81 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2hyb h ALA 81 CO -0.01 0.62 -0.08 0.00 0.00 0.00 0.00 179.25 179.77 2hyb h ALA 82 N 1.19 0.56 -0.45 0.00 0.00 -0.68 -2.69 119.26 117.20 2hyb h ALA 82 Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2hyb h ALA 82 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2hyb h ALA 82 CO 0.00 0.43 0.23 1.96 0.00 0.00 0.00 179.25 181.87 2hyb h GLN 83 N 0.60 0.62 -0.20 0.00 4.20 -1.03 0.27 115.11 119.57 2hyb h GLN 83 Ca 0.11 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.54 2hyb h GLN 83 Cb 0.61 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.27 2hyb h GLN 83 CO 0.04 0.47 -0.70 -0.09 -0.67 0.00 0.00 178.83 177.88 2hyb h ARG 84 N 0.62 0.81 0.00 1.46 2.43 -1.39 -3.36 114.38 114.96 2hyb h ARG 84 Ca 0.16 -0.61 -0.10 0.00 -0.81 0.00 0.00 59.98 58.62 2hyb h ARG 84 Cb 0.05 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2hyb h ARG 84 CO -0.02 1.23 -1.68 0.54 -1.51 0.00 0.00 179.97 178.53 2hyb n ARG 85 N -3.96 0.64 0.00 0.20 1.74 -1.03 -5.02 116.66 109.24 2hyb n ARG 85 Ca -0.06 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2hyb n ARG 85 Cb 0.71 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 2hyb n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hyb n GLY 86 N 1.35 1.82 3.64 -0.13 0.00 0.86 -5.09 105.19 107.64 2hyb n GLY 86 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 2hyb n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hyb s ILE 87 N -2.00 5.20 -0.04 -0.61 -1.09 -0.70 -4.91 121.20 117.04 2hyb s ILE 87 Ca 0.00 0.58 0.02 0.00 -2.23 0.00 0.00 60.65 59.03 2hyb s ILE 87 Cb 0.00 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2hyb s ILE 87 CO 0.00 0.21 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.14 2hyb s VAL 88 N 1.66 0.89 0.46 2.92 1.01 -1.26 -4.45 120.40 121.63 2hyb s VAL 88 Ca 0.16 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2hyb s VAL 88 Cb -0.15 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.42 2hyb s VAL 88 CO 0.09 0.29 0.06 -0.90 0.00 0.00 0.00 175.10 174.63 2hyb n ASP 89 N 3.61 3.15 -0.24 3.32 3.85 -1.26 -1.16 116.55 127.81 2hyb n ASP 89 Ca -0.21 -2.95 -0.05 0.00 -0.71 0.00 0.00 54.79 50.87 2hyb n ASP 89 Cb 0.53 0.26 0.01 0.00 -1.35 0.00 0.00 41.12 40.56 2hyb n ASP 89 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 2hyb h GLU 90 N 0.00 -0.13 0.55 0.11 4.57 -1.98 0.79 114.58 118.49 2hyb h GLU 90 Ca -0.37 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.80 2hyb h GLU 90 Cb 1.14 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 2hyb h GLU 90 CO 0.61 -0.09 -0.43 0.78 -1.18 0.00 0.00 179.01 178.70 2hyb h GLY 91 N -0.14 -1.19 0.08 1.92 0.00 -1.99 -1.60 103.07 100.16 2hyb h GLY 91 Ca 0.25 0.52 0.18 0.00 0.00 0.00 0.00 47.33 48.28 2hyb h GLY 91 CO -0.75 -0.38 0.46 0.83 0.00 0.00 0.00 176.54 176.70 2hyb h GLU 92 N -0.94 0.56 -0.27 4.80 4.39 -1.86 0.21 114.58 121.47 2hyb h GLU 92 Ca -0.07 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.62 2hyb h GLU 92 Cb 0.79 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 2hyb h GLU 92 CO 0.01 0.37 0.08 0.00 -1.16 0.00 0.00 179.01 178.32 2hyb h ALA 93 N 1.62 0.30 -0.56 3.43 0.00 -0.66 0.90 119.26 124.29 2hyb h ALA 93 Ca 0.51 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.39 2hyb h ALA 93 Cb 0.83 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2hyb h ALA 93 CO -0.42 -0.33 0.10 1.03 0.00 0.00 0.00 179.25 179.63 2hyb h SER 94 N 0.20 0.88 0.78 0.00 0.87 0.11 -0.17 113.55 116.22 2hyb h SER 94 Ca 0.12 -0.26 -0.23 0.00 -1.23 0.00 0.00 61.79 60.19 2hyb h SER 94 Cb 0.10 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2hyb h SER 94 CO -0.13 0.91 -1.06 0.03 -0.53 0.00 0.00 176.83 176.05 2hyb h ARG 95 N 0.81 0.14 -0.00 2.24 3.08 -0.47 -3.32 114.38 116.85 2hyb h ARG 95 Ca 0.17 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2hyb h ARG 95 Cb 0.40 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2hyb h ARG 95 CO 0.01 1.07 -0.72 0.09 -1.07 0.00 0.00 179.97 179.35 2hyb n ASN 96 N -3.48 1.02 -2.34 7.04 5.03 0.29 -4.99 115.26 117.83 2hyb n ASN 96 Ca -0.04 -0.87 -0.09 0.00 0.87 0.00 0.00 54.58 54.46 2hyb n ASN 96 Cb 0.94 0.64 0.04 0.00 -1.02 0.00 0.00 39.78 40.38 2hyb n ASN 96 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2hyb n GLY 97 N 1.47 -0.06 3.75 7.41 0.00 -0.16 -5.03 105.19 112.57 2hyb n GLY 97 Ca 0.06 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2hyb n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hyb s LYS 98 N -4.37 3.02 -0.00 1.61 -0.14 -0.69 -5.01 119.74 114.16 2hyb s LYS 98 Ca 0.09 -0.47 0.01 0.00 -1.36 0.00 0.00 55.97 54.23 2hyb s LYS 98 Cb -0.01 -2.83 0.03 0.00 -1.68 0.00 0.00 37.83 33.33 2hyb s LYS 98 CO 0.39 0.66 0.90 -0.40 -0.76 0.00 0.00 175.35 176.14 2hyb n ASP 99 N 1.45 0.42 -3.64 2.83 5.68 -1.26 -4.78 116.55 117.24 2hyb n ASP 99 Ca -0.15 -2.01 0.01 0.00 -0.50 0.00 0.00 54.79 52.14 2hyb n ASP 99 Cb 0.53 -0.15 -0.00 0.00 -1.14 0.00 0.00 41.12 40.36 2hyb n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hyb s ALA 100 N -1.73 -2.20 0.16 2.12 0.00 -1.26 -5.18 121.76 113.67 2hyb s ALA 100 Ca 0.02 0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.60 2hyb s ALA 100 Cb 0.01 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 2hyb s ALA 100 CO 0.01 -1.06 -0.11 0.95 0.00 0.00 0.00 175.76 175.54 2hyb s THR 101 N -2.44 1.31 0.00 0.00 -4.23 -1.26 -4.79 115.64 104.23 2hyb s THR 101 Ca 0.16 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2hyb s THR 101 Cb 0.04 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.99 2hyb s THR 101 CO -0.03 -0.70 0.38 -0.46 -0.54 0.00 0.00 174.62 173.27 2hyb n ASN 102 N -0.22 0.00 -4.80 3.99 6.94 -0.31 -4.99 115.26 115.87 2hyb n ASN 102 Ca -0.10 -1.00 -0.35 0.00 -0.02 0.00 0.00 54.58 53.11 2hyb n ASN 102 Cb 0.60 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.96 2hyb n ASN 102 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2hyb s ILE 103 N 0.00 4.23 0.07 1.53 2.07 -0.86 0.11 121.20 128.36 2hyb s ILE 103 Ca 0.00 1.59 -0.27 0.00 -1.41 0.00 0.00 60.65 60.56 2hyb s ILE 103 Cb 0.00 -3.76 -0.06 0.00 0.13 0.00 0.00 42.46 38.77 2hyb s ILE 103 CO 0.00 -0.10 0.86 -2.28 -1.91 0.00 0.00 174.94 171.51 2hyb s HIS 104 N -1.90 3.77 0.26 3.50 5.65 0.13 -4.49 115.29 122.20 2hyb s HIS 104 Ca 0.57 1.63 0.20 0.00 0.25 0.00 0.00 55.06 57.71 2hyb s HIS 104 Cb -0.14 -2.94 1.08 0.00 -1.18 0.00 0.00 32.58 29.40 2hyb s HIS 104 CO 0.19 0.23 1.56 -1.00 -0.65 0.00 0.00 174.74 175.07 2hyb h PRO 105 N 5.67 0.00 -0.00 2.88 0.13 -1.95 -1.16 132.00 137.56 2hyb h PRO 105 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2hyb h PRO 105 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2hyb h PRO 105 CO 0.71 0.00 -0.22 1.63 -0.23 0.00 0.00 178.00 179.89 2hyb n LYS 106 N -2.39 0.22 -4.24 0.86 4.76 -1.26 -4.81 118.16 111.29 2hyb n LYS 106 Ca -0.01 -0.08 -0.31 0.00 -2.87 0.00 0.00 58.31 55.04 2hyb n LYS 106 Cb 0.33 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.94 2hyb n LYS 106 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2hyb s PHE 107 N -2.84 2.95 0.10 2.13 0.40 -0.44 -4.52 117.98 115.76 2hyb s PHE 107 Ca 0.17 -0.02 0.09 0.00 -0.60 0.00 0.00 56.93 56.57 2hyb s PHE 107 Cb 0.19 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 2hyb s PHE 107 CO 0.58 0.45 -0.23 -0.98 0.70 0.00 0.00 175.22 175.73 2hyb s ARG 108 N -1.95 1.30 0.05 0.44 1.70 -0.31 -4.81 118.95 115.37 2hyb s ARG 108 Ca 0.22 -1.18 -0.11 0.00 -0.47 0.00 0.00 55.73 54.20 2hyb s ARG 108 Cb -0.11 -1.60 -0.06 0.00 -0.57 0.00 0.00 34.95 32.61 2hyb s ARG 108 CO 0.14 0.38 0.39 0.42 -1.08 0.00 0.00 175.30 175.55 2hyb s ILE 109 N -1.05 5.11 0.00 4.99 1.01 -1.26 0.32 121.20 130.31 2hyb s ILE 109 Ca 0.09 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.25 2hyb s ILE 109 Cb -0.10 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2hyb s ILE 109 CO 0.04 0.36 0.00 -0.24 0.00 0.00 0.00 174.94 175.10 2hyb n SER 110 N 1.13 0.00 -4.90 3.58 2.88 -0.75 -4.84 113.62 110.73 2hyb n SER 110 Ca -0.10 -0.87 -0.28 0.00 -1.33 0.00 0.00 58.87 56.29 2hyb n SER 110 Cb 0.52 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.97 2hyb n SER 110 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2hyb s GLY 111 N -1.29 1.63 0.60 0.46 0.00 -1.26 -1.01 107.32 106.45 2hyb s GLY 111 Ca 0.00 -0.42 0.32 0.00 0.00 0.00 0.00 44.72 44.62 2hyb s GLY 111 CO 0.00 -0.25 2.26 -2.00 0.00 0.00 0.00 173.10 173.11 2hyb h LEU 112 N 0.56 0.00 -1.85 0.66 5.85 -1.97 -0.28 115.31 118.28 2hyb h LEU 112 Ca -0.47 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.30 2hyb h LEU 112 Cb 1.20 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2hyb h LEU 112 CO 0.62 0.01 0.21 1.23 -0.34 0.00 0.00 178.44 180.17 2hyb h GLY 113 N 0.07 0.23 2.00 3.75 0.00 -2.00 0.17 103.07 107.29 2hyb h GLY 113 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2hyb h GLY 113 CO 0.00 0.06 -0.04 1.46 0.00 0.00 0.00 176.54 178.02 2hyb h GLN 114 N 0.19 0.00 0.20 4.80 1.08 -1.43 0.27 115.11 120.23 2hyb h GLN 114 Ca 0.14 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2hyb h GLN 114 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2hyb h GLN 114 CO -0.02 0.04 -0.10 1.25 -0.95 0.00 0.00 178.83 179.05 2hyb h LEU 115 N 0.00 -0.23 -0.81 1.46 5.85 -0.81 -2.85 115.31 117.92 2hyb h LEU 115 Ca -0.00 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.64 2hyb h LEU 115 Cb 0.27 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 2hyb h LEU 115 CO 0.01 0.30 0.45 0.58 -0.34 0.00 0.00 178.44 179.43 2hyb h VAL 116 N -1.00 0.88 -0.46 1.05 2.07 -1.34 -1.75 116.25 115.69 2hyb h VAL 116 Ca -0.03 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.33 2hyb h VAL 116 Cb 0.40 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 2hyb h VAL 116 CO 0.05 0.14 -0.09 -0.08 0.02 0.00 0.00 177.57 177.60 2hyb h GLU 117 N 0.75 0.02 -0.57 1.57 4.22 -0.55 -1.41 114.58 118.61 2hyb h GLU 117 Ca 0.40 -0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.75 2hyb h GLU 117 Cb 0.40 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2hyb h GLU 117 CO -0.26 0.01 0.01 0.00 -2.18 0.00 0.00 179.01 176.59 2hyb h ALA 118 N 1.45 0.94 -0.78 2.92 0.00 -1.09 -1.76 119.26 120.94 2hyb h ALA 118 Ca 0.22 -0.29 0.13 0.00 0.00 0.00 0.00 54.91 54.97 2hyb h ALA 118 Cb 0.34 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2hyb h ALA 118 CO -0.45 0.64 0.51 0.00 0.00 0.00 0.00 179.25 179.94 2hyb h ALA 119 N 1.10 1.96 0.14 0.00 0.00 -0.54 0.24 119.26 122.17 2hyb h ALA 119 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 2hyb h ALA 119 Cb 0.51 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.22 2hyb h ALA 119 CO 0.03 -0.15 -0.82 0.82 0.00 0.00 0.00 179.25 179.13 2hyb h ILE 120 N 0.55 1.51 -0.05 0.00 2.04 -0.94 -3.36 117.51 117.27 2hyb h ILE 120 Ca 0.38 -2.54 -0.13 0.00 1.00 0.00 0.00 64.86 63.57 2hyb h ILE 120 Cb 0.69 3.20 -0.01 0.00 -0.74 0.00 0.00 36.82 39.96 2hyb h ILE 120 CO -0.14 0.72 -0.56 1.56 0.00 0.00 0.00 178.15 179.73 2hyb h GLN 121 N -0.37 0.15 -6.77 2.37 1.08 -0.77 -3.45 115.11 107.36 2hyb h GLN 121 Ca -0.14 -0.09 -0.50 0.00 -1.45 0.00 0.00 58.65 56.46 2hyb h GLN 121 Cb 1.65 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 29.09 2hyb h GLN 121 CO 0.15 0.67 0.05 0.00 -0.95 0.00 0.00 178.83 178.75 2hyb s ALA 122 N -3.80 3.43 0.12 3.87 0.00 0.80 -4.95 121.76 121.24 2hyb s ALA 122 Ca -0.03 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2hyb s ALA 122 Cb 0.13 -2.57 -0.20 0.00 0.00 0.00 0.00 23.12 20.48 2hyb s ALA 122 CO 0.78 -0.01 1.27 -0.44 0.00 0.00 0.00 175.76 177.36 2hyb h ASP 123 N 1.17 0.07 -3.73 0.00 3.32 -0.71 -3.46 116.42 113.09 2hyb h ASP 123 Ca -0.47 -0.07 -0.39 0.00 0.02 0.00 0.00 57.03 56.11 2hyb h ASP 123 Cb 1.19 -0.02 -0.31 0.00 0.22 0.00 0.00 39.33 40.41 2hyb h ASP 123 CO 0.64 1.04 -0.77 -0.13 -1.72 0.00 0.00 179.24 178.30 2hyb s ARG 124 N -2.74 0.76 -0.41 3.56 1.81 -1.05 -5.04 118.95 115.83 2hyb s ARG 124 Ca 0.00 -0.21 -0.06 0.00 -1.72 0.00 0.00 55.73 53.75 2hyb s ARG 124 Cb 0.10 -0.74 0.09 0.00 -0.45 0.00 0.00 34.95 33.95 2hyb s ARG 124 CO 0.83 0.05 0.23 -1.17 -0.68 0.00 0.00 175.30 174.56 2hyb s LEU 125 N 0.33 5.16 -0.32 2.53 2.96 -1.26 -1.09 118.68 126.99 2hyb s LEU 125 Ca -0.04 -1.75 -0.11 0.00 -0.22 0.00 0.00 54.13 52.00 2hyb s LEU 125 Cb -0.09 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 2hyb s LEU 125 CO 0.00 -0.54 0.20 -0.69 -1.32 0.00 0.00 176.35 174.00 2hyb s VAL 126 N 1.29 5.02 -0.24 1.68 1.01 -0.60 -5.01 120.40 123.55 2hyb s VAL 126 Ca 0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2hyb s VAL 126 Cb -0.23 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2hyb s VAL 126 CO -0.01 0.08 0.15 -0.69 0.00 0.00 0.00 175.10 174.63 2hyb s VAL 127 N 1.69 5.26 -0.20 2.92 1.01 -1.26 -1.63 120.40 128.19 2hyb s VAL 127 Ca 0.06 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 2hyb s VAL 127 Cb -0.17 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2hyb s VAL 127 CO 0.09 0.33 -0.05 -0.36 0.00 0.00 0.00 175.10 175.12 2hyb s PHE 128 N 1.18 2.96 0.00 5.22 0.40 0.14 -4.97 117.98 122.91 2hyb s PHE 128 Ca 0.07 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.66 2hyb s PHE 128 Cb -0.14 -2.05 0.00 0.00 0.51 0.00 0.00 43.02 41.34 2hyb s PHE 128 CO 0.05 -0.40 0.00 0.41 0.70 0.00 0.00 175.22 175.99 2hyb n GLY 129 N 4.41 3.79 0.39 4.36 0.00 -1.26 -1.53 105.19 115.34 2hyb n GLY 129 Ca -0.18 -0.61 0.14 0.00 0.00 0.00 0.00 46.02 45.37 2hyb n GLY 129 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66