#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3m s ILE 18 N 0.00 -0.03 0.22 3.17 1.09 -1.26 -5.16 121.20 119.24 2h3m s ILE 18 Ca 0.00 0.11 0.07 0.00 -1.10 0.00 0.00 60.65 59.73 2h3m s ILE 18 Cb 0.00 -0.16 -0.04 0.00 -1.06 0.00 0.00 42.46 41.20 2h3m s ILE 18 CO 0.00 0.05 0.13 0.26 -0.10 0.00 0.00 174.94 175.27 2h3m s TRP 19 N 0.68 3.02 -0.08 3.97 0.52 -1.26 -4.24 118.94 121.56 2h3m s TRP 19 Ca -0.05 -0.11 0.02 0.00 0.02 0.00 0.00 56.10 55.98 2h3m s TRP 19 Cb -0.07 -1.39 0.01 0.00 -1.15 0.00 0.00 33.47 30.87 2h3m s TRP 19 CO -0.03 0.54 -0.13 -2.00 0.02 0.00 0.00 176.95 175.35 2h3m s GLU 20 N -3.54 1.85 -0.13 4.98 2.12 -0.83 -4.92 118.70 118.23 2h3m s GLU 20 Ca 0.32 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.21 2h3m s GLU 20 Cb -0.08 -1.55 -0.00 0.00 0.26 0.00 0.00 34.13 32.76 2h3m s GLU 20 CO 0.23 0.00 -0.19 -1.14 -0.54 0.00 0.00 175.26 173.63 2h3m s GLN 21 N 0.77 3.17 0.10 4.30 0.74 -1.26 -1.07 119.66 126.41 2h3m s GLN 21 Ca -0.12 -0.79 -0.13 0.00 0.05 0.00 0.00 55.36 54.36 2h3m s GLN 21 Cb -0.16 -2.49 0.02 0.00 1.10 0.00 0.00 33.01 31.48 2h3m s GLN 21 CO 0.02 0.10 0.32 -3.38 -0.55 0.00 0.00 175.29 171.81 2h3m s HIS 22 N 0.57 -0.08 -0.00 1.67 -3.43 -1.16 -5.01 115.29 107.84 2h3m s HIS 22 Ca -0.11 -0.24 -0.01 0.00 -0.80 0.00 0.00 55.06 53.90 2h3m s HIS 22 Cb -0.16 0.13 -0.04 0.00 -1.43 0.00 0.00 32.58 31.08 2h3m s HIS 22 CO 0.04 -0.62 0.11 0.95 -2.00 0.00 0.00 174.74 173.22 2h3m s THR 23 N -3.60 4.95 0.01 -5.38 -4.23 -1.26 -1.53 115.64 104.59 2h3m s THR 23 Ca 0.02 -0.34 0.03 0.00 -1.18 0.00 0.00 61.69 60.22 2h3m s THR 23 Cb 0.02 -3.28 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 2h3m s THR 23 CO -0.10 0.34 -0.08 0.68 -0.54 0.00 0.00 174.62 174.91 2h3m s VAL 24 N -1.24 0.66 -0.47 2.29 -7.23 0.26 -4.97 120.40 109.70 2h3m s VAL 24 Ca 0.24 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 59.75 2h3m s VAL 24 Cb -0.12 -0.59 0.10 0.00 0.56 0.00 0.00 36.38 36.33 2h3m s VAL 24 CO 0.16 0.05 0.35 -0.89 -0.31 0.00 0.00 175.10 174.46 2h3m s THR 25 N -0.48 4.55 0.06 5.32 2.01 -1.26 0.90 115.64 126.74 2h3m s THR 25 Ca 0.00 -1.51 -0.30 0.00 0.31 0.00 0.00 61.69 60.19 2h3m s THR 25 Cb -0.05 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 2h3m s THR 25 CO 0.00 -0.68 1.09 -0.76 -0.69 0.00 0.00 174.62 173.58 2h3m s LEU 26 N 1.47 4.39 -0.35 4.42 1.43 -0.42 -4.86 118.68 124.75 2h3m s LEU 26 Ca 0.04 1.88 -0.14 0.00 -1.03 0.00 0.00 54.13 54.88 2h3m s LEU 26 Cb -0.26 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 2h3m s LEU 26 CO 0.02 -0.34 0.28 -1.00 0.23 0.00 0.00 176.35 175.54 2h3m s HIS 27 N 0.82 3.22 0.33 0.29 3.76 -1.26 -1.25 115.29 121.20 2h3m s HIS 27 Ca 0.54 -0.21 -0.28 0.00 -0.15 0.00 0.00 55.06 54.96 2h3m s HIS 27 Cb -0.26 -2.55 -0.12 0.00 1.11 0.00 0.00 32.58 30.76 2h3m s HIS 27 CO 0.29 -0.41 1.31 -2.13 -0.85 0.00 0.00 174.74 172.96 2h3m n ARG 28 N 5.19 2.14 -3.93 1.40 0.63 0.33 -4.76 116.66 117.66 2h3m n ARG 28 Ca -0.11 0.75 -0.31 0.00 -0.92 0.00 0.00 57.85 57.26 2h3m n ARG 28 Cb 0.49 -2.35 -0.15 0.00 0.45 0.00 0.00 32.46 30.90 2h3m n ARG 28 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2h3m s ALA 29 N -0.97 2.23 0.18 5.13 0.00 -0.97 -5.00 121.76 122.36 2h3m s ALA 29 Ca 0.57 -1.85 -0.33 0.00 0.00 0.00 0.00 51.96 50.35 2h3m s ALA 29 Cb -0.57 -1.66 -0.14 0.00 0.00 0.00 0.00 23.12 20.74 2h3m s ALA 29 CO 0.61 -1.46 1.43 -2.30 0.00 0.00 0.00 175.76 174.04 2h3m n PRO 30 N 4.55 1.82 0.00 0.00 -0.02 -1.26 -0.42 135.00 139.68 2h3m n PRO 30 Ca -0.05 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2h3m n PRO 30 Cb 0.43 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2h3m n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h3m n GLY 31 N 2.67 1.15 0.00 -1.23 0.00 -1.26 -4.79 105.19 101.72 2h3m n GLY 31 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2h3m n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2h3m n PHE 32 N -2.00 0.00 -4.56 1.61 3.01 0.44 -5.13 117.46 110.83 2h3m n PHE 32 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2h3m n PHE 32 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2h3m n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2h3m n GLY 33 N 0.84 0.53 0.56 1.37 0.00 -0.83 -2.78 105.19 104.88 2h3m n GLY 33 Ca 0.00 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.34 2h3m n GLY 33 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2h3m n PHE 34 N 1.15 0.08 -1.43 1.61 3.01 -1.26 -2.28 117.46 118.34 2h3m n PHE 34 Ca 0.00 -0.04 -0.02 0.00 1.01 0.00 0.00 57.45 58.39 2h3m n PHE 34 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 2h3m n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2h3m n GLY 35 N 1.19 0.46 3.14 1.37 0.00 -1.12 -3.34 105.19 106.89 2h3m n GLY 35 Ca 0.18 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 2h3m n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2h3m s ILE 36 N -2.10 0.92 0.19 -0.61 -4.36 -1.26 -0.06 121.20 113.91 2h3m s ILE 36 Ca 0.00 -1.35 0.10 0.00 -0.26 0.00 0.00 60.65 59.14 2h3m s ILE 36 Cb 0.00 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.63 2h3m s ILE 36 CO 0.00 -0.36 -0.14 0.00 0.24 0.00 0.00 174.94 174.67 2h3m s ALA 37 N -1.64 2.81 -0.00 2.27 0.00 -0.80 -5.00 121.76 119.39 2h3m s ALA 37 Ca -0.02 -1.54 0.04 0.00 0.00 0.00 0.00 51.96 50.43 2h3m s ALA 37 Cb -0.08 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2h3m s ALA 37 CO 0.01 0.45 -0.11 0.96 0.00 0.00 0.00 175.76 177.06 2h3m s ILE 38 N -1.73 0.89 0.00 0.00 -4.36 -1.26 -1.35 121.20 113.40 2h3m s ILE 38 Ca 0.24 -0.52 0.00 0.00 -0.26 0.00 0.00 60.65 60.11 2h3m s ILE 38 Cb -0.08 -0.75 0.00 0.00 1.25 0.00 0.00 42.46 42.87 2h3m s ILE 38 CO 0.13 0.22 0.00 -1.54 0.24 0.00 0.00 174.94 174.00 2h3m n SER 39 N 2.73 1.66 0.00 4.36 3.41 -0.48 -4.87 113.62 120.43 2h3m n SER 39 Ca -0.14 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 2h3m n SER 39 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2h3m n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h3m n GLY 40 N 5.00 -2.68 0.00 5.00 0.00 -1.20 -1.15 105.19 110.17 2h3m n GLY 40 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2h3m n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3m n GLY 41 N -0.26 3.19 0.23 -0.02 0.00 0.30 -4.18 105.19 104.45 2h3m n GLY 41 Ca 0.00 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.22 2h3m n GLY 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2h3m n ARG 42 N -0.63 -0.06 -0.22 1.61 0.63 0.55 -1.41 116.66 117.13 2h3m n ARG 42 Ca 0.00 1.01 0.12 0.00 -0.92 0.00 0.00 57.85 58.06 2h3m n ARG 42 Cb 0.00 -1.53 0.23 0.00 0.45 0.00 0.00 32.46 31.61 2h3m n ARG 42 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2h3m n ASP 43 N -5.03 3.54 -2.85 6.15 5.75 -1.26 -4.57 116.55 118.28 2h3m n ASP 43 Ca 0.11 -1.99 -0.11 0.00 -0.01 0.00 0.00 54.79 52.79 2h3m n ASP 43 Cb 0.35 -0.29 0.05 0.00 -1.03 0.00 0.00 41.12 40.21 2h3m n ASP 43 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2h3m n ASN 44 N 1.51 -1.74 -4.71 -1.12 5.15 -0.50 -5.00 115.26 108.84 2h3m n ASN 44 Ca 0.20 -3.43 -0.42 0.00 -0.60 0.00 0.00 54.58 50.32 2h3m n ASN 44 Cb 0.61 1.30 -0.03 0.00 -0.53 0.00 0.00 39.78 41.13 2h3m n ASN 44 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2h3m s PRO 45 N -0.21 4.17 0.39 1.20 0.04 -1.17 -3.24 135.00 136.18 2h3m s PRO 45 Ca 0.28 2.47 0.21 0.00 0.04 0.00 0.00 61.00 64.00 2h3m s PRO 45 Cb 0.28 -3.28 0.58 0.00 0.04 0.00 0.00 34.50 32.12 2h3m s PRO 45 CO -0.10 -0.71 1.68 1.25 0.04 0.00 0.00 177.00 179.16 2h3m h HIS 46 N 7.35 0.00 -3.18 0.56 2.76 -1.85 -3.47 115.15 117.32 2h3m h HIS 46 Ca -0.43 0.00 -0.64 0.00 -2.20 0.00 0.00 60.37 57.10 2h3m h HIS 46 Cb 1.20 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 30.02 2h3m h HIS 46 CO 0.69 0.28 -0.57 -0.06 -1.30 0.00 0.00 177.93 176.97 2h3m s PHE 47 N -3.37 3.28 0.37 5.26 0.40 -1.26 -4.98 117.98 117.70 2h3m s PHE 47 Ca 0.03 0.17 0.17 0.00 -0.60 0.00 0.00 56.93 56.70 2h3m s PHE 47 Cb 0.09 -1.98 1.10 0.00 0.51 0.00 0.00 43.02 42.73 2h3m s PHE 47 CO 0.67 0.33 1.72 -0.56 0.70 0.00 0.00 175.22 178.08 2h3m h GLN 48 N 6.01 0.37 0.00 0.44 -0.00 -1.94 0.35 115.11 120.34 2h3m h GLN 48 Ca -0.43 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.17 2h3m h GLN 48 Cb 1.18 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.48 28.58 2h3m h GLN 48 CO 0.64 0.24 -0.09 0.66 -0.00 0.00 0.00 178.83 180.28 2h3m h SER 49 N 0.38 0.00 0.00 0.06 4.64 -1.99 -3.46 113.55 113.18 2h3m h SER 49 Ca 0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 2h3m h SER 49 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 2h3m h SER 49 CO -0.42 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.24 2h3m n GLY 50 N -0.67 0.94 3.75 -0.77 0.00 0.12 -5.08 105.19 103.48 2h3m n GLY 50 Ca -0.02 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2h3m n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h3m s GLU 51 N -0.68 4.40 0.00 1.61 2.12 -1.26 -4.94 118.70 119.95 2h3m s GLU 51 Ca 0.00 2.08 0.25 0.00 0.36 0.00 0.00 54.97 57.66 2h3m s GLU 51 Cb 0.00 -3.17 0.39 0.00 0.26 0.00 0.00 34.13 31.62 2h3m s GLU 51 CO 0.00 -0.21 1.37 0.25 -0.54 0.00 0.00 175.26 176.13 2h3m n THR 52 N 2.15 0.01 -1.56 -1.70 -2.24 -1.26 -3.84 114.28 105.83 2h3m n THR 52 Ca 0.04 -0.44 -0.50 0.00 -2.27 0.00 0.00 64.05 60.88 2h3m n THR 52 Cb 0.43 1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 69.87 2h3m n THR 52 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2h3m n SER 53 N 1.08 1.08 -4.74 3.42 7.64 -1.26 -0.54 113.62 120.30 2h3m n SER 53 Ca 0.15 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.76 2h3m n SER 53 Cb 0.54 -1.16 -0.03 0.00 -1.01 0.00 0.00 64.21 62.55 2h3m n SER 53 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2h3m s ILE 54 N -0.11 2.90 -0.04 0.44 -1.09 -1.26 -3.52 121.20 118.52 2h3m s ILE 54 Ca 0.76 0.72 0.04 0.00 -2.23 0.00 0.00 60.65 59.95 2h3m s ILE 54 Cb -0.92 -3.46 -0.00 0.00 -1.58 0.00 0.00 42.46 36.49 2h3m s ILE 54 CO 0.52 0.10 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.47 2h3m s VAL 55 N 0.30 1.40 -0.37 2.92 1.01 -0.30 -0.16 120.40 125.20 2h3m s VAL 55 Ca 0.60 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2h3m s VAL 55 Cb -0.40 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2h3m s VAL 55 CO 0.39 0.40 1.63 -0.63 0.00 0.00 0.00 175.10 176.89 2h3m s ILE 56 N 0.02 3.66 -0.13 2.22 -1.09 0.12 -1.38 121.20 124.62 2h3m s ILE 56 Ca -0.03 0.67 0.22 0.00 -2.23 0.00 0.00 60.65 59.28 2h3m s ILE 56 Cb -0.11 -3.90 -0.18 0.00 -1.58 0.00 0.00 42.46 36.69 2h3m s ILE 56 CO 0.02 -0.58 0.74 -1.54 -1.23 0.00 0.00 174.94 172.35 2h3m n SER 57 N 9.65 0.41 -3.59 3.58 3.41 -0.45 -0.25 113.62 126.38 2h3m n SER 57 Ca 0.20 0.16 -0.15 0.00 -0.26 0.00 0.00 58.87 58.82 2h3m n SER 57 Cb 0.47 1.25 -0.07 0.00 -0.26 0.00 0.00 64.21 65.60 2h3m n SER 57 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2h3m s ASP 58 N -4.93 -0.69 -0.16 4.04 2.15 -1.20 -4.80 116.67 111.08 2h3m s ASP 58 Ca -0.04 1.12 0.01 0.00 0.43 0.00 0.00 52.55 54.07 2h3m s ASP 58 Cb 0.12 1.07 0.02 0.00 -0.30 0.00 0.00 42.92 43.82 2h3m s ASP 58 CO 0.85 -0.37 -0.19 -0.69 -0.17 0.00 0.00 175.17 174.60 2h3m s VAL 59 N -0.23 1.92 0.07 1.11 1.01 -1.26 -1.91 120.40 121.11 2h3m s VAL 59 Ca -0.04 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2h3m s VAL 59 Cb -0.03 -1.74 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 2h3m s VAL 59 CO 0.04 0.52 1.81 -0.22 0.00 0.00 0.00 175.10 177.25 2h3m s LEU 60 N 1.22 4.39 -0.20 3.92 2.96 0.92 -4.85 118.68 127.04 2h3m s LEU 60 Ca 0.02 2.62 -0.36 0.00 -0.22 0.00 0.00 54.13 56.19 2h3m s LEU 60 Cb -0.14 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 42.87 2h3m s LEU 60 CO -0.10 -0.99 1.89 0.29 -1.32 0.00 0.00 176.35 176.13 2h3m n LYS 61 N 6.38 1.66 -0.94 1.98 5.02 -1.26 -0.02 118.16 130.99 2h3m n LYS 61 Ca 0.18 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 2h3m n LYS 61 Cb 0.40 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 2h3m n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2h3m n GLY 62 N 4.71 0.72 2.45 0.72 0.00 -1.26 -5.01 105.19 107.51 2h3m n GLY 62 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 2h3m n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3m n GLY 63 N -2.09 -2.27 0.34 -0.02 0.00 0.98 -4.83 105.19 97.31 2h3m n GLY 63 Ca 0.00 -1.55 0.16 0.00 0.00 0.00 0.00 46.02 44.63 2h3m n GLY 63 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2h3m h PRO 64 N 0.00 0.00 -0.00 1.61 0.11 -1.84 -2.39 132.00 129.49 2h3m h PRO 64 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2h3m h PRO 64 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2h3m h PRO 64 CO 0.19 0.00 -0.39 0.00 -0.21 0.00 0.00 178.00 177.59 2h3m n ALA 65 N -1.94 3.15 -1.57 -0.75 0.00 -1.21 -4.50 120.51 113.68 2h3m n ALA 65 Ca -0.01 -0.31 -0.53 0.00 0.00 0.00 0.00 53.44 52.59 2h3m n ALA 65 Cb 0.40 -0.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 2h3m n ALA 65 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2h3m n GLU 66 N -0.99 0.97 -1.84 0.00 4.07 -0.90 -1.51 120.64 120.43 2h3m n GLU 66 Ca 0.02 0.35 -0.09 0.00 -0.06 0.00 0.00 57.16 57.39 2h3m n GLU 66 Cb 0.16 -1.96 -0.02 0.00 -0.06 0.00 0.00 31.44 29.57 2h3m n GLU 66 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2h3m n GLY 67 N 2.33 0.38 0.00 8.31 0.00 -1.26 -4.81 105.19 110.14 2h3m n GLY 67 Ca 0.18 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2h3m n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2h3m n GLN 68 N -2.16 0.00 -4.36 1.61 6.02 -0.57 -5.11 117.38 112.80 2h3m n GLN 68 Ca -0.10 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.68 2h3m n GLN 68 Cb 0.48 -0.47 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 2h3m n GLN 68 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2h3m s LEU 69 N -2.53 2.51 0.15 1.08 1.43 -1.07 -5.05 118.68 115.20 2h3m s LEU 69 Ca 0.00 -0.96 0.05 0.00 -1.03 0.00 0.00 54.13 52.19 2h3m s LEU 69 Cb 0.00 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 2h3m s LEU 69 CO 0.00 -0.08 -0.11 -1.10 0.23 0.00 0.00 176.35 175.29 2h3m s GLN 70 N -3.27 1.07 0.73 1.70 -0.21 -1.26 -4.85 119.66 113.56 2h3m s GLN 70 Ca 0.21 -1.41 -0.15 0.00 0.02 0.00 0.00 55.36 54.02 2h3m s GLN 70 Cb -0.03 -0.72 0.04 0.00 1.00 0.00 0.00 33.01 33.29 2h3m s GLN 70 CO 0.08 0.10 1.23 -1.21 -2.12 0.00 0.00 175.29 173.38 2h3m s GLU 71 N -3.50 2.13 -1.66 2.91 2.02 -1.26 -2.49 118.70 116.85 2h3m s GLU 71 Ca 0.15 1.85 0.00 0.00 0.02 0.00 0.00 54.97 57.00 2h3m s GLU 71 Cb 0.01 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.41 2h3m s GLU 71 CO 0.02 -1.87 0.00 -1.71 0.02 0.00 0.00 175.26 171.72 2h3m n ASN 72 N -2.62 -4.86 -4.80 -0.19 5.15 0.66 -4.99 115.26 103.61 2h3m n ASN 72 Ca 0.14 0.39 -0.33 0.00 -0.60 0.00 0.00 54.58 54.18 2h3m n ASN 72 Cb 0.50 -4.13 -0.00 0.00 -0.53 0.00 0.00 39.78 35.61 2h3m n ASN 72 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2h3m s ASP 73 N -2.43 5.98 -0.12 1.20 1.11 -1.04 -4.84 116.67 116.53 2h3m s ASP 73 Ca 0.00 1.85 -0.00 0.00 0.18 0.00 0.00 52.55 54.58 2h3m s ASP 73 Cb 0.00 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.43 2h3m s ASP 73 CO 0.00 -1.03 -0.12 -0.13 1.18 0.00 0.00 175.17 175.07 2h3m s ARG 74 N -3.81 3.30 -0.27 8.23 0.52 -0.99 0.14 118.95 126.07 2h3m s ARG 74 Ca 0.65 -0.66 -0.15 0.00 -0.52 0.00 0.00 55.73 55.04 2h3m s ARG 74 Cb -0.16 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 2h3m s ARG 74 CO 0.31 0.28 0.39 0.08 0.02 0.00 0.00 175.30 176.38 2h3m s VAL 75 N 0.19 5.16 -0.15 3.52 1.01 0.77 -0.37 120.40 130.53 2h3m s VAL 75 Ca -0.07 0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.57 2h3m s VAL 75 Cb -0.15 -3.71 -0.23 0.00 0.00 0.00 0.00 36.38 32.29 2h3m s VAL 75 CO 0.05 0.15 0.25 0.00 0.00 0.00 0.00 175.10 175.54 2h3m n ALA 76 N 5.35 1.31 -3.13 5.51 0.00 -0.43 -4.36 120.51 124.75 2h3m n ALA 76 Ca -0.08 -0.92 -0.12 0.00 0.00 0.00 0.00 53.44 52.32 2h3m n ALA 76 Cb 0.51 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 19.37 2h3m n ALA 76 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2h3m s MET 77 N -2.55 0.46 -0.12 0.00 1.75 -1.21 0.11 119.30 117.74 2h3m s MET 77 Ca -0.18 -0.16 -0.02 0.00 -1.25 0.00 0.00 55.69 54.08 2h3m s MET 77 Cb 0.07 0.20 0.04 0.00 2.84 0.00 0.00 34.83 37.98 2h3m s MET 77 CO 0.76 -0.10 0.03 0.08 -0.65 0.00 0.00 175.02 175.14 2h3m s VAL 78 N -0.95 0.29 -1.26 10.11 1.01 0.53 -1.78 120.40 128.34 2h3m s VAL 78 Ca -0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2h3m s VAL 78 Cb -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2h3m s VAL 78 CO 0.02 0.04 0.89 0.59 0.00 0.00 0.00 175.10 176.63 2h3m n ASN 79 N 5.16 -2.00 0.00 3.32 3.02 0.90 -1.49 115.26 124.18 2h3m n ASN 79 Ca -0.07 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 2h3m n ASN 79 Cb 0.49 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 2h3m n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h3m n GLY 80 N -1.37 0.34 3.32 7.41 0.00 -1.26 -4.98 105.19 108.64 2h3m n GLY 80 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2h3m n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h3m s VAL 81 N -1.81 3.31 0.17 1.61 1.01 -0.55 -5.08 120.40 119.06 2h3m s VAL 81 Ca 0.00 -0.52 -0.32 0.00 0.00 0.00 0.00 61.98 61.14 2h3m s VAL 81 Cb 0.00 -2.49 -0.11 0.00 0.00 0.00 0.00 36.38 33.78 2h3m s VAL 81 CO 0.00 0.44 1.64 -0.55 0.00 0.00 0.00 175.10 176.63 2h3m s SER 82 N 1.32 6.51 -0.37 3.32 0.15 -1.26 -0.35 113.70 123.03 2h3m s SER 82 Ca 0.04 2.69 0.08 0.00 0.70 0.00 0.00 55.95 59.46 2h3m s SER 82 Cb -0.14 -2.59 0.72 0.00 -1.71 0.00 0.00 66.02 62.30 2h3m s SER 82 CO -0.03 -0.89 1.85 0.23 1.20 0.00 0.00 173.24 175.60 2h3m n MET 83 N 4.20 3.21 -1.91 5.44 2.81 0.12 -4.90 117.12 126.09 2h3m n MET 83 Ca 0.15 -3.07 -0.43 0.00 -1.81 0.00 0.00 57.70 52.54 2h3m n MET 83 Cb 0.38 -2.20 -0.03 0.00 -0.71 0.00 0.00 33.22 30.66 2h3m n MET 83 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2h3m s ASP 84 N -1.15 6.14 -1.43 7.83 -1.08 -1.26 -3.89 116.67 121.83 2h3m s ASP 84 Ca 0.56 1.85 -0.04 0.00 -0.52 0.00 0.00 52.55 54.40 2h3m s ASP 84 Cb 0.45 -2.53 0.03 0.00 -1.46 0.00 0.00 42.92 39.42 2h3m s ASP 84 CO 0.12 -1.42 0.61 -3.20 0.52 0.00 0.00 175.17 171.81 2h3m n ASN 85 N 9.17 -1.44 -4.94 -0.34 2.85 -1.26 -4.96 115.26 114.33 2h3m n ASN 85 Ca 0.22 -0.92 -0.20 0.00 -0.11 0.00 0.00 54.58 53.57 2h3m n ASN 85 Cb 0.45 -3.42 -0.01 0.00 1.24 0.00 0.00 39.78 38.03 2h3m n ASN 85 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2h3m s VAL 86 N -3.72 3.84 0.53 3.44 -7.23 -1.25 -4.60 120.40 111.41 2h3m s VAL 86 Ca 0.17 -1.12 -0.17 0.00 -1.81 0.00 0.00 61.98 59.04 2h3m s VAL 86 Cb -0.09 -3.32 -0.07 0.00 0.56 0.00 0.00 36.38 33.47 2h3m s VAL 86 CO 0.86 -0.16 1.02 -1.61 -0.31 0.00 0.00 175.10 174.91 2h3m s GLU 87 N -4.12 3.71 0.31 4.82 0.41 -1.26 0.20 118.70 122.78 2h3m s GLU 87 Ca 0.44 1.13 0.00 0.00 -0.41 0.00 0.00 54.97 56.13 2h3m s GLU 87 Cb -0.08 -2.09 0.51 0.00 -1.78 0.00 0.00 34.13 30.68 2h3m s GLU 87 CO 0.30 -0.48 1.94 1.25 -0.49 0.00 0.00 175.26 177.77 2h3m h HIS 88 N 0.92 0.87 0.00 1.61 -0.00 -1.88 -2.00 115.15 114.67 2h3m h HIS 88 Ca -0.47 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 59.86 2h3m h HIS 88 Cb 1.20 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 28.33 2h3m h HIS 88 CO 0.61 0.61 -0.10 0.00 -0.00 0.00 0.00 177.93 179.05 2h3m h ALA 89 N 1.49 1.12 0.03 5.26 0.00 -1.93 -2.86 119.26 122.36 2h3m h ALA 89 Ca 0.23 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 2h3m h ALA 89 Cb 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.82 2h3m h ALA 89 CO -0.04 0.12 -1.09 0.35 0.00 0.00 0.00 179.25 178.60 2h3m h PHE 90 N 0.00 0.99 0.13 0.00 3.57 -1.74 -2.34 116.94 117.54 2h3m h PHE 90 Ca -0.00 -0.56 -0.01 0.00 3.53 0.00 0.00 57.97 60.93 2h3m h PHE 90 Cb 0.42 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2h3m h PHE 90 CO 0.00 1.40 -0.06 0.00 -2.23 0.00 0.00 178.31 177.41 2h3m h ALA 91 N 0.42 -0.18 -0.38 2.41 0.00 -1.52 -2.76 119.26 117.25 2h3m h ALA 91 Ca -0.14 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.70 2h3m h ALA 91 Cb 1.74 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.52 2h3m h ALA 91 CO 0.21 -0.46 -0.17 0.28 0.00 0.00 0.00 179.25 179.10 2h3m h VAL 92 N -0.46 0.47 -1.07 0.00 2.07 -1.61 -0.16 116.25 115.48 2h3m h VAL 92 Ca -0.02 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.83 2h3m h VAL 92 Cb 0.37 0.47 -0.13 0.00 -1.52 0.00 0.00 31.29 30.47 2h3m h VAL 92 CO 0.03 0.00 0.65 -0.61 0.02 0.00 0.00 177.57 177.66 2h3m h GLN 93 N -0.10 0.30 0.02 1.57 5.75 -1.37 -0.21 115.11 121.06 2h3m h GLN 93 Ca 0.19 -0.02 -0.24 0.00 -0.15 0.00 0.00 58.65 58.43 2h3m h GLN 93 Cb 0.39 -0.07 0.01 0.00 1.07 0.00 0.00 27.48 28.88 2h3m h GLN 93 CO -0.45 0.20 -0.99 1.96 -2.65 0.00 0.00 178.83 176.90 2h3m h GLN 94 N 0.31 0.43 0.37 1.69 1.08 -0.73 -2.39 115.11 115.87 2h3m h GLN 94 Ca 0.72 -0.49 -0.02 0.00 -1.45 0.00 0.00 58.65 57.41 2h3m h GLN 94 Cb 1.78 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 2h3m h GLN 94 CO -0.50 1.15 -0.18 -0.07 -0.95 0.00 0.00 178.83 178.28 2h3m h LEU 95 N 0.23 -0.42 -0.83 1.46 3.38 -0.64 -3.02 115.31 115.47 2h3m h LEU 95 Ca -0.09 -0.12 0.20 0.00 0.09 0.00 0.00 57.88 57.96 2h3m h LEU 95 Cb 1.64 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 42.37 2h3m h LEU 95 CO 0.17 -0.11 0.28 -0.09 0.09 0.00 0.00 178.44 178.79 2h3m h ARG 96 N -0.76 0.31 -0.00 1.13 2.43 -1.13 -1.61 114.38 114.75 2h3m h ARG 96 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2h3m h ARG 96 Cb 0.51 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2h3m h ARG 96 CO 0.08 0.21 -0.07 1.63 -1.51 0.00 0.00 179.97 180.31 2h3m n LYS 97 N -5.12 0.65 -0.71 0.20 4.76 -0.90 -4.88 118.16 112.15 2h3m n LYS 97 Ca 0.19 -0.15 -0.29 0.00 -2.87 0.00 0.00 58.31 55.18 2h3m n LYS 97 Cb 0.58 -1.50 0.21 0.00 -1.84 0.00 0.00 35.03 32.48 2h3m n LYS 97 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2h3m s SER 98 N -2.46 1.99 0.00 4.39 0.01 -0.61 -5.06 113.70 111.96 2h3m s SER 98 Ca 0.30 1.70 0.00 0.00 1.31 0.00 0.00 55.95 59.27 2h3m s SER 98 Cb 0.20 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2h3m s SER 98 CO 0.46 -3.60 0.00 0.61 0.41 0.00 0.00 173.24 171.12 2h3m n GLY 99 N 0.26 0.78 0.25 3.44 0.00 -1.26 -4.88 105.19 103.78 2h3m n GLY 99 Ca 0.06 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.09 2h3m n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h3m h LYS 100 N 0.00 0.00 -4.39 1.61 1.57 -1.96 -3.45 116.57 109.95 2h3m h LYS 100 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 2h3m h LYS 100 Cb 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 31.98 2h3m h LYS 100 CO 0.00 0.00 -0.80 -0.80 -0.57 0.00 0.00 179.45 177.28 2h3m s ASN 101 N -5.58 1.46 -0.28 0.86 0.01 -1.26 -0.52 114.94 109.64 2h3m s ASN 101 Ca 0.02 -0.24 0.03 0.00 -0.71 0.00 0.00 52.86 51.97 2h3m s ASN 101 Cb 0.09 -0.67 0.07 0.00 0.41 0.00 0.00 41.25 41.15 2h3m s ASN 101 CO 0.54 0.01 -0.06 0.00 -1.51 0.00 0.00 177.10 176.09 2h3m s ALA 102 N 0.69 2.59 -0.28 0.60 0.00 -0.38 -4.90 121.76 120.08 2h3m s ALA 102 Ca -0.13 -1.94 -0.29 0.00 0.00 0.00 0.00 51.96 49.61 2h3m s ALA 102 Cb -0.15 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.31 2h3m s ALA 102 CO 0.02 -1.34 1.09 0.21 0.00 0.00 0.00 175.76 175.74 2h3m s LYS 103 N 1.08 4.13 -0.13 0.00 2.20 -1.26 -1.30 119.74 124.45 2h3m s LYS 103 Ca -0.03 1.21 0.01 0.00 -0.36 0.00 0.00 55.97 56.80 2h3m s LYS 103 Cb -0.20 -3.71 0.02 0.00 -1.51 0.00 0.00 37.83 32.43 2h3m s LYS 103 CO -0.06 -0.81 -0.16 0.42 -0.36 0.00 0.00 175.35 174.37 2h3m s ILE 104 N 3.54 1.62 -0.19 5.43 1.01 0.26 -0.07 121.20 132.81 2h3m s ILE 104 Ca 0.46 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 2h3m s ILE 104 Cb -0.14 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 2h3m s ILE 104 CO 0.13 0.47 0.15 -0.89 0.00 0.00 0.00 174.94 174.79 2h3m s THR 105 N 1.17 5.41 0.27 2.92 2.01 -0.74 -0.58 115.64 126.11 2h3m s THR 105 Ca -0.02 0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.26 2h3m s THR 105 Cb -0.14 -3.48 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 2h3m s THR 105 CO -0.06 0.45 -0.03 0.27 -0.69 0.00 0.00 174.62 174.56 2h3m s ILE 106 N 0.22 1.47 -0.07 1.82 -4.36 -0.58 -1.32 121.20 118.38 2h3m s ILE 106 Ca 0.09 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2h3m s ILE 106 Cb -0.11 -2.47 0.03 0.00 1.25 0.00 0.00 42.46 41.16 2h3m s ILE 106 CO -0.01 -0.27 -0.03 -0.13 0.24 0.00 0.00 174.94 174.74 2h3m s ARG 107 N -3.77 0.88 -0.21 0.37 0.52 0.50 -2.99 118.95 114.24 2h3m s ARG 107 Ca 0.30 -0.03 -0.04 0.00 -0.52 0.00 0.00 55.73 55.44 2h3m s ARG 107 Cb 0.05 -1.07 -0.01 0.00 0.52 0.00 0.00 34.95 34.43 2h3m s ARG 107 CO 0.12 -0.23 -0.04 0.50 0.02 0.00 0.00 175.30 175.66 2h3m s ARG 108 N 1.62 3.42 0.00 3.54 3.52 -0.24 -2.35 118.95 128.45 2h3m s ARG 108 Ca 0.00 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 2h3m s ARG 108 Cb -0.13 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 2h3m s ARG 108 CO -0.04 -0.13 0.57 1.63 -0.81 0.00 0.00 175.30 176.52 2h3m n LYS 109 N 4.62 0.00 0.00 5.12 5.02 -1.26 -1.97 118.16 129.68 2h3m n LYS 109 Ca -0.18 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2h3m n LYS 109 Cb 0.51 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2h3m n LYS 109 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24