#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr0 n VAL 2 N 0.00 1.52 -4.45 1.12 3.14 -1.26 -2.33 118.33 116.06 1hr0 n VAL 2 Ca 0.00 -0.38 -0.23 0.00 -2.96 0.00 0.00 64.34 60.77 1hr0 n VAL 2 Cb 0.00 -1.28 -0.09 0.00 -1.06 0.00 0.00 33.84 31.41 1hr0 n VAL 2 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1hr0 s LYS 3 N -1.13 1.76 -0.27 1.45 1.02 0.19 -2.27 119.74 120.49 1hr0 s LYS 3 Ca 0.63 -2.03 0.00 0.00 0.02 0.00 0.00 55.97 54.59 1hr0 s LYS 3 Cb -0.67 -0.58 0.08 0.00 -0.52 0.00 0.00 37.83 36.14 1hr0 s LYS 3 CO 0.56 -0.38 0.02 0.42 -0.92 0.00 0.00 175.35 175.06 1hr0 s ILE 4 N -3.34 1.35 0.03 2.17 1.01 -0.95 -1.76 121.20 119.72 1hr0 s ILE 4 Ca 0.30 -1.42 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1hr0 s ILE 4 Cb 0.05 -1.84 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 1hr0 s ILE 4 CO 0.15 -0.39 0.03 -2.11 0.00 0.00 0.00 174.94 172.62 1hr0 n ARG 5 N 4.69 0.04 -3.83 2.79 1.85 -0.54 -1.79 116.66 119.86 1hr0 n ARG 5 Ca -0.05 -0.30 -0.33 0.00 -1.00 0.00 0.00 57.85 56.16 1hr0 n ARG 5 Cb 0.43 0.25 -0.05 0.00 -1.05 0.00 0.00 32.46 32.04 1hr0 n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1hr0 s LEU 6 N 0.00 4.36 -0.13 2.89 1.02 -1.26 0.22 118.68 125.77 1hr0 s LEU 6 Ca 0.04 0.44 0.01 0.00 0.02 0.00 0.00 54.13 54.63 1hr0 s LEU 6 Cb 0.00 -2.75 0.02 0.00 0.02 0.00 0.00 46.19 43.48 1hr0 s LEU 6 CO 0.03 0.23 -0.15 0.00 0.02 0.00 0.00 176.35 176.47 1hr0 s ALA 7 N -1.37 1.83 -0.14 4.21 0.00 -0.87 -4.88 121.76 120.53 1hr0 s ALA 7 Ca 0.30 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1hr0 s ALA 7 Cb -0.13 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1hr0 s ALA 7 CO 0.19 -0.22 1.61 1.03 0.00 0.00 0.00 175.76 178.37 1hr0 s ARG 8 N 1.21 3.99 0.00 0.00 1.81 -1.26 -1.60 118.95 123.10 1hr0 s ARG 8 Ca -0.01 1.89 0.00 0.00 -1.72 0.00 0.00 55.73 55.89 1hr0 s ARG 8 Cb -0.14 -3.99 0.00 0.00 -0.45 0.00 0.00 34.95 30.37 1hr0 s ARG 8 CO -0.06 -1.06 0.23 1.19 -0.68 0.00 0.00 175.30 174.92 1hr0 n PHE 9 N 7.76 0.00 0.00 -0.53 3.72 -0.37 -4.90 117.46 123.14 1hr0 n PHE 9 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1hr0 n PHE 9 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1hr0 n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hr0 n GLY 10 N 0.06 -1.88 0.00 1.37 0.00 -0.83 -4.65 105.19 99.27 1hr0 n GLY 10 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hr0 n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hr0 n SER 11 N 0.00 0.00 -4.58 1.61 3.41 0.17 -4.79 113.62 109.44 1hr0 n SER 11 Ca 0.00 0.00 -0.54 0.00 -0.26 0.00 0.00 58.87 58.07 1hr0 n SER 11 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1hr0 n SER 11 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1hr0 n LYS 12 N -0.61 0.89 -1.11 4.33 4.81 -1.26 0.95 118.16 126.17 1hr0 n LYS 12 Ca 0.00 0.32 -0.07 0.00 -0.87 0.00 0.00 58.31 57.69 1hr0 n LYS 12 Cb 0.00 -1.94 -0.03 0.00 0.02 0.00 0.00 35.03 33.08 1hr0 n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1hr0 n HIS 13 N 2.47 -0.05 -3.14 5.64 8.25 -1.26 -4.81 115.22 122.32 1hr0 n HIS 13 Ca 0.19 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.46 1hr0 n HIS 13 Cb 0.16 -2.30 -0.04 0.00 1.12 0.00 0.00 29.99 28.94 1hr0 n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1hr0 n ASN 14 N -0.67 0.14 -4.77 0.41 5.15 0.27 -5.12 115.26 110.67 1hr0 n ASN 14 Ca -0.07 -2.93 -0.41 0.00 -0.60 0.00 0.00 54.58 50.58 1hr0 n ASN 14 Cb 0.49 -0.34 -0.02 0.00 -0.53 0.00 0.00 39.78 39.38 1hr0 n ASN 14 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1hr0 s PRO 15 N -1.54 4.34 -0.25 1.20 0.04 -1.22 -0.66 135.00 136.90 1hr0 s PRO 15 Ca 0.36 2.23 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 1hr0 s PRO 15 Cb 0.26 -3.06 0.13 0.00 0.04 0.00 0.00 34.50 31.87 1hr0 s PRO 15 CO -0.10 -0.21 0.33 -1.01 0.04 0.00 0.00 177.00 176.05 1hr0 s HIS 16 N -1.14 -0.66 0.50 0.56 3.76 -1.26 -4.47 115.29 112.57 1hr0 s HIS 16 Ca 0.49 0.39 -0.03 0.00 -0.15 0.00 0.00 55.06 55.76 1hr0 s HIS 16 Cb -0.40 -0.20 -0.01 0.00 1.11 0.00 0.00 32.58 33.08 1hr0 s HIS 16 CO 0.53 -0.79 0.76 0.71 -0.85 0.00 0.00 174.74 175.11 1hr0 s TYR 17 N 2.46 3.31 -0.22 1.40 1.51 -0.06 -1.24 117.35 124.52 1hr0 s TYR 17 Ca 0.10 0.49 0.00 0.00 -1.01 0.00 0.00 57.07 56.65 1hr0 s TYR 17 Cb -0.15 -2.43 0.05 0.00 -0.11 0.00 0.00 41.96 39.33 1hr0 s TYR 17 CO -0.21 -0.47 -0.06 1.03 -1.11 0.00 0.00 175.55 174.73 1hr0 s ARG 18 N -4.72 1.64 -0.33 -0.62 0.52 -0.62 -1.23 118.95 113.59 1hr0 s ARG 18 Ca 0.49 -0.88 -0.28 0.00 -0.52 0.00 0.00 55.73 54.54 1hr0 s ARG 18 Cb -0.10 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.88 1hr0 s ARG 18 CO 0.41 -0.55 1.86 0.42 0.02 0.00 0.00 175.30 177.47 1hr0 s ILE 19 N 1.44 3.41 0.30 1.52 1.01 0.74 -2.05 121.20 127.57 1hr0 s ILE 19 Ca -0.04 0.41 0.10 0.00 0.00 0.00 0.00 60.65 61.12 1hr0 s ILE 19 Cb -0.18 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 1hr0 s ILE 19 CO -0.07 -0.38 -0.13 -0.69 0.00 0.00 0.00 174.94 173.67 1hr0 s VAL 20 N 7.21 2.22 -0.24 2.92 1.01 0.13 -0.78 120.40 132.88 1hr0 s VAL 20 Ca 0.82 -2.27 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 1hr0 s VAL 20 Cb -0.23 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.73 1hr0 s VAL 20 CO 0.33 -0.32 -0.10 -0.69 0.00 0.00 0.00 175.10 174.32 1hr0 s VAL 21 N -2.65 2.56 0.04 2.92 1.01 0.79 -1.47 120.40 123.60 1hr0 s VAL 21 Ca 0.30 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 1hr0 s VAL 21 Cb -0.00 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1hr0 s VAL 21 CO 0.15 0.21 0.19 0.28 0.00 0.00 0.00 175.10 175.93 1hr0 s THR 22 N 1.27 0.11 0.62 3.92 -1.32 -0.72 0.37 115.64 119.88 1hr0 s THR 22 Ca -0.01 -0.93 -0.19 0.00 -1.21 0.00 0.00 61.69 59.35 1hr0 s THR 22 Cb -0.17 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 1hr0 s THR 22 CO -0.06 -0.51 1.23 -0.67 -2.21 0.00 0.00 174.62 172.39 1hr0 n ASP 23 N 0.61 1.87 0.31 8.08 -0.08 -1.26 -0.64 116.55 125.43 1hr0 n ASP 23 Ca -0.18 0.85 0.18 0.00 -1.51 0.00 0.00 54.79 54.13 1hr0 n ASP 23 Cb 0.59 -1.52 0.99 0.00 2.34 0.00 0.00 41.12 43.52 1hr0 n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hr0 h ALA 24 N 0.68 1.19 -0.01 -1.67 0.00 -1.78 -3.13 119.26 114.55 1hr0 h ALA 24 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1hr0 h ALA 24 Cb 1.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1hr0 h ALA 24 CO 0.53 0.03 -0.14 0.54 0.00 0.00 0.00 179.25 180.21 1hr0 n ARG 25 N -3.39 0.85 -2.41 0.00 1.74 -1.26 -4.95 116.66 107.24 1hr0 n ARG 25 Ca -0.02 -0.39 -0.31 0.00 -0.77 0.00 0.00 57.85 56.35 1hr0 n ARG 25 Cb 0.13 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 1hr0 n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1hr0 s ARG 26 N -2.41 3.84 0.49 5.56 0.52 -1.18 -5.00 118.95 120.76 1hr0 s ARG 26 Ca 0.29 0.79 -0.21 0.00 -0.52 0.00 0.00 55.73 56.09 1hr0 s ARG 26 Cb 0.20 -2.19 -0.11 0.00 0.52 0.00 0.00 34.95 33.38 1hr0 s ARG 26 CO 0.47 -0.27 0.60 1.63 0.02 0.00 0.00 175.30 177.75 1hr0 n LYS 27 N -1.75 0.65 0.33 3.54 5.02 -1.26 -4.76 118.16 119.93 1hr0 n LYS 27 Ca 0.05 0.24 0.21 0.00 -2.02 0.00 0.00 58.31 56.80 1hr0 n LYS 27 Cb 0.54 -1.66 1.14 0.00 -0.02 0.00 0.00 35.03 35.03 1hr0 n LYS 27 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1hr0 h ARG 28 N 0.65 0.00 -0.22 1.97 0.11 -1.94 0.43 114.38 115.37 1hr0 h ARG 28 Ca -0.43 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.59 1hr0 h ARG 28 Cb 1.39 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.44 1hr0 h ARG 28 CO 0.50 0.00 -0.05 -0.25 0.10 0.00 0.00 179.97 180.27 1hr0 n ASP 29 N -3.20 3.01 -1.96 0.08 10.43 -1.26 -4.38 116.55 119.27 1hr0 n ASP 29 Ca -0.03 -3.32 0.00 0.00 2.57 0.00 0.00 54.79 54.01 1hr0 n ASP 29 Cb 0.09 -0.55 0.00 0.00 1.84 0.00 0.00 41.12 42.50 1hr0 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1hr0 n GLY 30 N -0.93 0.25 3.64 0.44 0.00 0.14 -4.97 105.19 103.76 1hr0 n GLY 30 Ca 0.24 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1hr0 n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hr0 s LYS 31 N -2.06 3.82 0.20 1.61 2.20 -1.26 -4.93 119.74 119.32 1hr0 s LYS 31 Ca 0.00 2.38 0.04 0.00 -0.36 0.00 0.00 55.97 58.03 1hr0 s LYS 31 Cb 0.00 -4.22 -0.03 0.00 -1.51 0.00 0.00 37.83 32.07 1hr0 s LYS 31 CO 0.00 -1.32 0.31 1.52 -0.36 0.00 0.00 175.35 175.51 1hr0 s TYR 32 N 5.64 3.44 0.28 4.03 1.13 -1.26 -4.81 117.35 125.80 1hr0 s TYR 32 Ca 0.91 0.03 0.08 0.00 -1.41 0.00 0.00 57.07 56.68 1hr0 s TYR 32 Cb -0.39 -1.60 0.41 0.00 -1.10 0.00 0.00 41.96 39.28 1hr0 s TYR 32 CO 0.39 0.48 1.65 0.82 -2.51 0.00 0.00 175.55 176.38 1hr0 h ILE 33 N 1.40 1.37 -1.15 -3.49 2.04 -0.45 -3.47 117.51 113.77 1hr0 h ILE 33 Ca -0.50 -1.82 0.18 0.00 1.00 0.00 0.00 64.86 63.72 1hr0 h ILE 33 Cb 1.22 1.93 -0.31 0.00 -0.74 0.00 0.00 36.82 38.92 1hr0 h ILE 33 CO 0.64 0.53 0.83 -0.70 0.00 0.00 0.00 178.15 179.45 1hr0 s GLU 34 N -3.86 0.13 0.43 2.37 2.12 -0.81 -4.97 118.70 114.11 1hr0 s GLU 34 Ca -0.03 0.13 -0.10 0.00 0.36 0.00 0.00 54.97 55.33 1hr0 s GLU 34 Cb 0.13 0.06 -0.06 0.00 0.26 0.00 0.00 34.13 34.52 1hr0 s GLU 34 CO 0.77 -0.02 0.79 0.21 -0.54 0.00 0.00 175.26 176.47 1hr0 s LYS 35 N -0.15 3.73 0.00 4.30 2.20 -1.26 -0.15 119.74 128.41 1hr0 s LYS 35 Ca 0.07 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 1hr0 s LYS 35 Cb -0.04 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 1hr0 s LYS 35 CO -0.13 -0.11 0.14 0.44 -0.36 0.00 0.00 175.35 175.34 1hr0 n ILE 36 N -1.57 0.00 0.00 5.43 -5.35 0.04 -4.86 119.36 113.06 1hr0 n ILE 36 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1hr0 n ILE 36 Cb 0.54 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 1hr0 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hr0 n GLY 37 N 0.00 0.09 3.21 3.28 0.00 -0.88 -0.19 105.19 110.71 1hr0 n GLY 37 Ca 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1hr0 n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hr0 s TYR 38 N -2.00 1.01 -0.25 1.61 -0.85 -1.12 -0.19 117.35 115.56 1hr0 s TYR 38 Ca 0.00 -1.29 -0.10 0.00 -0.52 0.00 0.00 57.07 55.17 1hr0 s TYR 38 Cb 0.00 -0.48 0.10 0.00 0.38 0.00 0.00 41.96 41.96 1hr0 s TYR 38 CO 0.00 -0.63 0.56 -0.47 -1.52 0.00 0.00 175.55 173.49 1hr0 s TYR 39 N -4.12 -1.07 -0.93 -3.49 5.04 -0.37 -2.95 117.35 109.47 1hr0 s TYR 39 Ca 0.33 1.96 -0.08 0.00 -2.44 0.00 0.00 57.07 56.85 1hr0 s TYR 39 Cb 0.07 0.58 0.24 0.00 0.35 0.00 0.00 41.96 43.19 1hr0 s TYR 39 CO 0.09 -0.56 0.86 0.34 -1.34 0.00 0.00 175.55 174.94 1hr0 s ASP 40 N 2.48 6.59 0.48 4.32 3.68 -1.21 -0.88 116.67 132.14 1hr0 s ASP 40 Ca -0.06 -3.32 0.30 0.00 2.13 0.00 0.00 52.55 51.60 1hr0 s ASP 40 Cb -0.11 -2.09 1.03 0.00 -1.45 0.00 0.00 42.92 40.31 1hr0 s ASP 40 CO -0.17 -0.34 1.15 -2.65 0.13 0.00 0.00 175.17 173.30 1hr0 n PRO 41 N 3.01 0.01 -0.29 4.34 -0.02 -1.26 0.14 135.00 140.93 1hr0 n PRO 41 Ca 0.19 0.86 0.10 0.00 -2.02 0.00 0.00 63.50 62.62 1hr0 n PRO 41 Cb 0.40 -2.07 0.26 0.00 -0.02 0.00 0.00 33.50 32.07 1hr0 n PRO 41 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1hr0 n ARG 42 N -3.17 2.69 -3.97 -0.52 1.74 -1.26 -4.99 116.66 107.17 1hr0 n ARG 42 Ca 0.27 -2.41 -0.38 0.00 -0.77 0.00 0.00 57.85 54.55 1hr0 n ARG 42 Cb 1.43 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 31.41 1hr0 n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1hr0 n LYS 43 N 1.29 -0.66 -0.35 5.56 4.01 0.38 -4.80 118.16 123.59 1hr0 n LYS 43 Ca 0.20 0.27 0.07 0.00 -0.51 0.00 0.00 58.31 58.34 1hr0 n LYS 43 Cb 0.56 -2.25 0.23 0.00 -0.51 0.00 0.00 35.03 33.06 1hr0 n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1hr0 n THR 44 N -4.12 0.98 -3.64 -0.18 -2.24 -1.26 -4.84 114.28 98.98 1hr0 n THR 44 Ca -0.18 -0.73 -0.15 0.00 -2.27 0.00 0.00 64.05 60.72 1hr0 n THR 44 Cb 0.59 0.14 -0.08 0.00 -2.10 0.00 0.00 70.33 68.89 1hr0 n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1hr0 s THR 45 N -1.57 0.00 0.25 4.28 -4.23 -1.26 -5.05 115.64 108.06 1hr0 s THR 45 Ca 0.34 -0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.72 1hr0 s THR 45 Cb 0.20 -0.88 0.38 0.00 1.34 0.00 0.00 72.50 73.53 1hr0 s THR 45 CO 0.19 -0.02 1.42 -0.81 -0.54 0.00 0.00 174.62 174.87 1hr0 n PRO 46 N 2.22 -0.11 -3.01 3.99 -0.04 -1.26 -3.18 135.00 133.61 1hr0 n PRO 46 Ca -0.15 1.42 -0.43 0.00 -0.04 0.00 0.00 63.50 64.29 1hr0 n PRO 46 Cb 0.56 -2.12 -0.05 0.00 -0.04 0.00 0.00 33.50 31.85 1hr0 n PRO 46 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1hr0 s ASP 47 N -5.26 6.27 -0.29 3.54 3.68 -1.26 -4.88 116.67 118.47 1hr0 s ASP 47 Ca -0.13 -0.69 0.14 0.00 2.13 0.00 0.00 52.55 53.99 1hr0 s ASP 47 Cb 0.23 -2.36 0.48 0.00 -1.45 0.00 0.00 42.92 39.82 1hr0 s ASP 47 CO 0.70 -1.06 1.13 -2.67 0.13 0.00 0.00 175.17 173.40 1hr0 n TRP 48 N 6.77 2.08 0.00 -5.34 4.27 -1.19 -4.96 117.44 119.07 1hr0 n TRP 48 Ca -0.03 -2.32 0.00 0.00 -3.89 0.00 0.00 57.50 51.26 1hr0 n TRP 48 Cb 0.46 -0.28 0.00 0.00 -1.36 0.00 0.00 31.31 30.14 1hr0 n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 1hr0 n LEU 49 N -0.59 0.00 -4.00 5.67 7.94 -1.26 -3.31 117.00 121.45 1hr0 n LEU 49 Ca 0.26 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 55.07 1hr0 n LEU 49 Cb 0.86 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.71 1hr0 n LEU 49 CO 0.25 0.00 -0.32 -0.75 -1.11 0.00 0.00 177.39 175.46 1hr0 s LYS 50 N 0.00 0.48 -0.24 1.96 2.20 -1.15 -4.99 119.74 117.98 1hr0 s LYS 50 Ca 0.00 -0.84 -0.05 0.00 -0.36 0.00 0.00 55.97 54.72 1hr0 s LYS 50 Cb 0.00 0.17 0.13 0.00 -1.51 0.00 0.00 37.83 36.62 1hr0 s LYS 50 CO 0.00 -0.09 0.48 0.08 -0.36 0.00 0.00 175.35 175.45 1hr0 s VAL 51 N -2.53 -0.75 -1.13 4.02 1.01 -1.26 -2.80 120.40 116.96 1hr0 s VAL 51 Ca -0.06 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 1hr0 s VAL 51 Cb -0.02 -0.82 -0.16 0.00 0.00 0.00 0.00 36.38 35.38 1hr0 s VAL 51 CO -0.05 -0.01 2.02 -0.67 0.00 0.00 0.00 175.10 176.40 1hr0 n ASP 52 N 5.40 2.23 0.08 3.32 4.64 0.74 -4.61 116.55 128.34 1hr0 n ASP 52 Ca -0.06 -2.60 0.17 0.00 -1.38 0.00 0.00 54.79 50.92 1hr0 n ASP 52 Cb 0.50 -1.73 0.69 0.00 -1.04 0.00 0.00 41.12 39.54 1hr0 n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 1hr0 h VAL 53 N 6.39 0.76 -0.04 5.18 -1.51 -1.92 0.53 116.25 125.65 1hr0 h VAL 53 Ca 0.12 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.61 1hr0 h VAL 53 Cb 0.96 0.80 -0.03 0.00 -2.13 0.00 0.00 31.29 30.90 1hr0 h VAL 53 CO 1.13 0.00 -0.10 -0.08 -1.23 0.00 0.00 177.57 177.29 1hr0 h GLU 54 N 0.00 -0.15 0.25 5.19 4.57 -1.99 -2.04 114.58 120.42 1hr0 h GLU 54 Ca 0.18 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 1hr0 h GLU 54 Cb 0.74 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1hr0 h GLU 54 CO -0.00 -0.10 -0.12 0.00 -1.18 0.00 0.00 179.01 177.61 1hr0 h ARG 55 N -0.15 -0.33 -0.14 1.92 2.47 -0.45 -2.66 114.38 115.04 1hr0 h ARG 55 Ca 0.05 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.81 1hr0 h ARG 55 Cb 0.22 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1hr0 h ARG 55 CO -0.13 -0.14 -0.15 0.00 0.56 0.00 0.00 179.97 180.11 1hr0 h ALA 56 N 0.27 -0.38 -0.98 0.04 0.00 -0.67 0.39 119.26 117.94 1hr0 h ALA 56 Ca -0.03 0.01 0.41 0.00 0.00 0.00 0.00 54.91 55.29 1hr0 h ALA 56 Cb 0.34 0.87 -0.17 0.00 0.00 0.00 0.00 17.79 18.83 1hr0 h ALA 56 CO 0.06 -0.46 0.53 0.54 0.00 0.00 0.00 179.25 179.92 1hr0 n ARG 57 N -3.47 -0.06 0.23 0.00 1.74 -0.78 0.06 116.66 114.39 1hr0 n ARG 57 Ca -0.01 1.33 -0.15 0.00 -0.77 0.00 0.00 57.85 58.25 1hr0 n ARG 57 Cb 0.09 -2.39 -0.08 0.00 -1.02 0.00 0.00 32.46 29.06 1hr0 n ARG 57 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1hr0 h TYR 58 N 0.00 -0.54 -0.54 -1.55 5.03 0.08 -0.54 116.97 118.91 1hr0 h TYR 58 Ca 0.82 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 62.19 1hr0 h TYR 58 Cb 2.19 0.18 -0.06 0.00 1.55 0.00 0.00 36.73 40.59 1hr0 h TYR 58 CO -0.01 -0.24 0.22 -1.49 -1.32 0.00 0.00 178.16 175.32 1hr0 h TRP 59 N -0.80 0.38 -0.26 -3.82 4.06 0.10 0.63 115.95 116.24 1hr0 h TRP 59 Ca -0.06 0.03 0.06 0.00 2.06 0.00 0.00 58.89 60.98 1hr0 h TRP 59 Cb 0.55 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 1hr0 h TRP 59 CO -0.00 0.13 0.19 -0.07 -3.56 0.00 0.00 178.44 175.13 1hr0 h LEU 60 N 0.41 0.05 0.00 -4.49 3.38 -1.07 1.31 115.31 114.90 1hr0 h LEU 60 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1hr0 h LEU 60 Cb 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1hr0 h LEU 60 CO -0.25 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 176.78 1hr0 n SER 61 N -4.47 0.00 -2.72 -0.43 3.41 0.22 -3.30 113.62 106.32 1hr0 n SER 61 Ca 0.03 0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.77 1hr0 n SER 61 Cb 0.30 -0.30 0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1hr0 n SER 61 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1hr0 n VAL 62 N -1.30 0.71 -0.74 -3.33 0.31 0.45 -4.98 118.33 109.45 1hr0 n VAL 62 Ca 0.03 -2.98 0.00 0.00 -0.01 0.00 0.00 64.34 61.38 1hr0 n VAL 62 Cb 0.05 0.63 0.00 0.00 -0.91 0.00 0.00 33.84 33.61 1hr0 n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hr0 n GLY 63 N -0.09 0.91 3.73 2.92 0.00 -1.21 -5.00 105.19 106.46 1hr0 n GLY 63 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1hr0 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hr0 s ALA 64 N -3.50 3.81 -0.24 4.61 0.00 -1.01 -4.61 121.76 120.82 1hr0 s ALA 64 Ca 0.00 1.52 0.01 0.00 0.00 0.00 0.00 51.96 53.49 1hr0 s ALA 64 Cb 0.00 -3.65 0.06 0.00 0.00 0.00 0.00 23.12 19.53 1hr0 s ALA 64 CO 0.00 -0.90 -0.07 -1.14 0.00 0.00 0.00 175.76 173.65 1hr0 s GLN 65 N 0.43 1.83 0.25 0.00 2.00 -0.96 -4.63 119.66 118.57 1hr0 s GLN 65 Ca 0.68 -1.06 -0.29 0.00 -2.00 0.00 0.00 55.36 52.69 1hr0 s GLN 65 Cb -0.47 -2.65 -0.09 0.00 0.80 0.00 0.00 33.01 30.60 1hr0 s GLN 65 CO 0.39 -0.57 0.93 -1.25 -0.50 0.00 0.00 175.29 174.28 1hr0 s PRO 66 N 1.32 4.77 0.95 1.67 0.04 -1.26 -2.23 135.00 140.26 1hr0 s PRO 66 Ca -0.06 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 1hr0 s PRO 66 Cb -0.19 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.25 1hr0 s PRO 66 CO -0.06 0.47 0.52 2.41 0.04 0.00 0.00 177.00 180.38 1hr0 n THR 67 N 1.27 0.00 -0.01 1.26 -1.04 -0.74 -4.58 114.28 110.44 1hr0 n THR 67 Ca -0.01 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.05 61.72 1hr0 n THR 67 Cb 0.48 -0.69 -0.05 0.00 -1.82 0.00 0.00 70.33 68.25 1hr0 n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1hr0 h ASP 68 N -1.65 0.14 -0.45 8.00 3.32 -1.96 0.16 116.42 123.97 1hr0 h ASP 68 Ca -0.44 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1hr0 h ASP 68 Cb 1.28 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1hr0 h ASP 68 CO 0.36 0.10 0.21 0.74 -1.72 0.00 0.00 179.24 178.93 1hr0 h THR 69 N 0.17 1.19 -0.96 0.35 2.02 -1.97 -0.49 112.91 113.20 1hr0 h THR 69 Ca 0.04 -0.55 0.10 0.00 0.77 0.00 0.00 66.41 66.78 1hr0 h THR 69 Cb -0.02 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.03 1hr0 h THR 69 CO -0.01 0.21 0.62 0.00 0.37 0.00 0.00 175.52 176.71 1hr0 h ALA 70 N 1.05 1.54 -0.42 6.16 0.00 -1.75 0.91 119.26 126.75 1hr0 h ALA 70 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1hr0 h ALA 70 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1hr0 h ALA 70 CO -0.02 0.26 -0.18 -0.09 0.00 0.00 0.00 179.25 179.23 1hr0 h ARG 71 N 1.00 0.80 0.25 0.00 2.43 0.03 -1.74 114.38 117.15 1hr0 h ARG 71 Ca 0.45 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1hr0 h ARG 71 Cb 0.38 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1hr0 h ARG 71 CO -0.21 0.92 -0.23 -0.09 -1.51 0.00 0.00 179.97 178.85 1hr0 h ARG 72 N 0.71 -0.45 -0.60 0.20 2.43 0.75 0.14 114.38 117.56 1hr0 h ARG 72 Ca 0.11 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.43 1hr0 h ARG 72 Cb 0.68 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.23 1hr0 h ARG 72 CO 0.05 -0.30 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.06 1hr0 h LEU 73 N -0.47 -0.41 0.03 3.80 3.38 -1.29 -0.24 115.31 120.11 1hr0 h LEU 73 Ca -0.03 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1hr0 h LEU 73 Cb 0.40 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1hr0 h LEU 73 CO -0.01 -0.16 -0.07 -0.07 0.09 0.00 0.00 178.44 178.22 1hr0 h LEU 74 N 0.05 -0.19 -0.81 1.67 3.38 -1.04 -2.42 115.31 115.95 1hr0 h LEU 74 Ca 0.30 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.41 1hr0 h LEU 74 Cb 0.48 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.17 1hr0 h LEU 74 CO -0.57 -0.08 -0.34 -1.14 0.09 0.00 0.00 178.44 176.41 1hr0 n ARG 75 N -2.77 -0.21 0.00 1.13 0.63 0.47 0.11 116.66 116.03 1hr0 n ARG 75 Ca -0.01 1.25 0.00 0.00 -0.92 0.00 0.00 57.85 58.17 1hr0 n ARG 75 Cb 0.05 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.11 1hr0 n ARG 75 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1hr0 n GLN 76 N -5.17 0.00 -2.79 -0.14 7.27 -0.16 0.84 117.38 117.22 1hr0 n GLN 76 Ca 0.07 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.01 1hr0 n GLN 76 Cb 0.31 -1.48 0.01 0.00 2.41 0.00 0.00 30.24 31.49 1hr0 n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1hr0 n ALA 77 N -0.79 3.21 -3.36 1.69 0.00 0.31 -4.99 120.51 116.59 1hr0 n ALA 77 Ca 0.00 -3.33 -0.12 0.00 0.00 0.00 0.00 53.44 49.99 1hr0 n ALA 77 Cb 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 1hr0 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hr0 n GLY 78 N -0.01 -0.12 0.12 0.00 0.00 0.25 -4.76 105.19 100.67 1hr0 n GLY 78 Ca 0.16 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 1hr0 n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1hr0 h VAL 79 N 0.52 1.51 0.00 1.61 2.07 -1.57 -3.34 116.25 117.04 1hr0 h VAL 79 Ca -0.22 -2.70 -0.07 0.00 0.82 0.00 0.00 66.70 64.53 1hr0 h VAL 79 Cb 0.45 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1hr0 h VAL 79 CO 0.21 0.79 -1.68 0.49 0.02 0.00 0.00 177.57 177.39 1hr0 n PHE 80 N -3.63 0.00 -1.32 1.57 3.01 -1.26 -4.83 117.46 111.00 1hr0 n PHE 80 Ca -0.04 0.00 -0.55 0.00 1.01 0.00 0.00 57.45 57.87 1hr0 n PHE 80 Cb 0.83 -0.39 -0.12 0.00 -0.01 0.00 0.00 39.48 39.78 1hr0 n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1hr0 n ARG 81 N -2.11 0.06 -1.03 -1.08 0.63 -1.26 -4.78 116.66 107.10 1hr0 n ARG 81 Ca -0.08 0.01 -0.09 0.00 -0.92 0.00 0.00 57.85 56.78 1hr0 n ARG 81 Cb 0.51 -1.56 0.27 0.00 0.45 0.00 0.00 32.46 32.13 1hr0 n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hr0 n GLN 82 N 7.76 3.25 0.00 -0.14 10.64 -1.26 -5.03 117.38 132.60 1hr0 n GLN 82 Ca 0.57 -3.08 0.00 0.00 -1.83 0.00 0.00 57.00 52.66 1hr0 n GLN 82 Cb -0.01 -2.17 0.00 0.00 -0.86 0.00 0.00 30.24 27.21 1hr0 n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62