#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr0 s LYS 3 N 0.00 3.91 0.14 0.54 1.02 -1.26 -4.85 119.74 119.23 1hr0 s LYS 3 Ca 0.00 2.47 -0.35 0.00 0.02 0.00 0.00 55.97 58.11 1hr0 s LYS 3 Cb 0.00 -4.21 -0.16 0.00 -0.52 0.00 0.00 37.83 32.95 1hr0 s LYS 3 CO 0.00 -1.22 1.31 1.17 -0.92 0.00 0.00 175.35 175.69 1hr0 n LYS 4 N 7.81 1.32 -5.02 1.68 3.00 -1.26 -4.57 118.16 121.13 1hr0 n LYS 4 Ca 0.22 0.47 -0.32 0.00 -0.00 0.00 0.00 58.31 58.68 1hr0 n LYS 4 Cb 0.42 -2.08 -0.14 0.00 0.00 0.00 0.00 35.03 33.23 1hr0 n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1hr0 s VAL 5 N 0.25 2.72 0.30 3.15 1.01 -1.26 -0.63 120.40 125.95 1hr0 s VAL 5 Ca 0.79 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1hr0 s VAL 5 Cb -0.87 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1hr0 s VAL 5 CO 0.48 0.58 0.09 -0.76 0.00 0.00 0.00 175.10 175.49 1hr0 s LEU 6 N -0.56 1.89 0.02 3.92 1.43 0.41 -4.89 118.68 120.89 1hr0 s LEU 6 Ca 0.08 -1.42 0.03 0.00 -1.03 0.00 0.00 54.13 51.80 1hr0 s LEU 6 Cb -0.11 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 1hr0 s LEU 6 CO 0.01 -0.71 -0.10 -0.89 0.23 0.00 0.00 176.35 174.89 1hr0 s THR 7 N -3.52 0.81 0.03 5.49 2.01 -1.26 0.27 115.64 119.47 1hr0 s THR 7 Ca 0.36 -0.74 -0.09 0.00 0.31 0.00 0.00 61.69 61.52 1hr0 s THR 7 Cb 0.08 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 71.88 1hr0 s THR 7 CO 0.15 0.01 0.44 0.61 -0.69 0.00 0.00 174.62 175.13 1hr0 n GLY 8 N 2.22 0.78 3.68 4.40 0.00 -0.59 -4.13 105.19 111.55 1hr0 n GLY 8 Ca -0.17 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 1hr0 n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hr0 s VAL 9 N -2.25 4.19 -0.81 1.61 1.01 -1.15 -1.23 120.40 121.77 1hr0 s VAL 9 Ca 0.10 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 1hr0 s VAL 9 Cb -0.01 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.59 1hr0 s VAL 9 CO 0.01 0.45 1.25 -0.69 0.00 0.00 0.00 175.10 176.12 1hr0 s VAL 10 N -1.02 3.98 -0.59 2.92 1.01 -0.62 0.76 120.40 126.84 1hr0 s VAL 10 Ca 0.17 -0.21 0.24 0.00 0.00 0.00 0.00 61.98 62.19 1hr0 s VAL 10 Cb -0.11 -4.90 0.11 0.00 0.00 0.00 0.00 36.38 31.48 1hr0 s VAL 10 CO 0.08 -1.77 1.39 -0.37 0.00 0.00 0.00 175.10 174.42 1hr0 h VAL 11 N 6.20 0.00 -3.59 2.92 -1.51 -1.08 -2.68 116.25 116.49 1hr0 h VAL 11 Ca -0.12 -0.60 -0.46 0.00 -1.23 0.00 0.00 66.70 64.28 1hr0 h VAL 11 Cb 1.04 1.28 -0.33 0.00 -2.13 0.00 0.00 31.29 31.16 1hr0 h VAL 11 CO 1.28 0.00 -0.80 -0.55 -1.23 0.00 0.00 177.57 176.28 1hr0 s SER 12 N -4.60 1.41 0.00 4.19 0.15 -1.19 -4.98 113.70 108.68 1hr0 s SER 12 Ca 0.06 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1hr0 s SER 12 Cb 0.12 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1hr0 s SER 12 CO 0.70 0.03 0.36 -0.67 1.20 0.00 0.00 173.24 174.86 1hr0 n ASP 13 N 3.64 0.71 0.00 5.45 4.64 -1.26 -1.51 116.55 128.22 1hr0 n ASP 13 Ca -0.22 -0.95 0.02 0.00 -1.38 0.00 0.00 54.79 52.26 1hr0 n ASP 13 Cb 0.52 0.06 0.10 0.00 -1.04 0.00 0.00 41.12 40.77 1hr0 n ASP 13 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1hr0 n LYS 14 N -0.06 0.05 -3.37 -0.67 5.02 -1.26 -4.81 118.16 113.05 1hr0 n LYS 14 Ca 0.00 0.28 -0.20 0.00 -2.02 0.00 0.00 58.31 56.37 1hr0 n LYS 14 Cb 0.05 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1hr0 n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1hr0 s MET 15 N -2.66 2.53 -0.27 1.97 -1.94 -1.26 -5.09 119.30 112.59 1hr0 s MET 15 Ca 0.03 -1.54 -0.15 0.00 -1.71 0.00 0.00 55.69 52.32 1hr0 s MET 15 Cb 0.03 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.34 1hr0 s MET 15 CO 0.06 -0.39 0.37 -0.65 -0.01 0.00 0.00 175.02 174.41 1hr0 s GLN 16 N -4.30 4.02 -1.40 2.03 -0.21 -1.26 -4.28 119.66 114.25 1hr0 s GLN 16 Ca 0.50 0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.92 1hr0 s GLN 16 Cb -0.05 -3.65 0.00 0.00 1.00 0.00 0.00 33.01 30.30 1hr0 s GLN 16 CO 0.30 -0.27 0.00 1.63 -2.12 0.00 0.00 175.29 174.83 1hr0 n LYS 17 N 5.31 -1.42 -3.98 2.91 5.02 -1.26 -4.97 118.16 119.78 1hr0 n LYS 17 Ca -0.09 0.95 -0.11 0.00 -2.02 0.00 0.00 58.31 57.04 1hr0 n LYS 17 Cb 0.51 -5.24 -0.12 0.00 -0.02 0.00 0.00 35.03 30.15 1hr0 n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1hr0 s THR 18 N -2.24 0.17 0.10 -0.18 2.01 -1.26 -0.60 115.64 113.64 1hr0 s THR 18 Ca 0.00 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1hr0 s THR 18 Cb 0.00 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 1hr0 s THR 18 CO 0.00 -0.25 -0.10 0.68 -0.69 0.00 0.00 174.62 174.26 1hr0 s VAL 19 N -0.81 0.94 -0.34 3.82 -7.23 0.10 -4.21 120.40 112.67 1hr0 s VAL 19 Ca -0.08 -1.65 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 1hr0 s VAL 19 Cb -0.06 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1hr0 s VAL 19 CO -0.00 -0.57 0.18 -0.89 -0.31 0.00 0.00 175.10 173.51 1hr0 s THR 20 N -2.47 4.67 -0.17 5.32 2.01 -0.57 0.08 115.64 124.51 1hr0 s THR 20 Ca 0.06 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 1hr0 s THR 20 Cb -0.03 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 1hr0 s THR 20 CO -0.00 -0.04 0.19 -0.69 -0.69 0.00 0.00 174.62 173.39 1hr0 s VAL 21 N 1.61 5.38 -0.76 3.82 1.01 0.86 -0.42 120.40 131.90 1hr0 s VAL 21 Ca 0.04 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 1hr0 s VAL 21 Cb -0.18 -3.52 0.20 0.00 0.00 0.00 0.00 36.38 32.88 1hr0 s VAL 21 CO 0.07 0.46 0.67 -0.22 0.00 0.00 0.00 175.10 176.07 1hr0 s LEU 22 N 0.13 6.33 -0.21 3.92 2.96 0.23 -0.92 118.68 131.12 1hr0 s LEU 22 Ca 0.12 -2.70 -0.29 0.00 -0.22 0.00 0.00 54.13 51.04 1hr0 s LEU 22 Cb -0.12 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.46 1hr0 s LEU 22 CO 0.01 -0.53 1.03 -0.69 -1.32 0.00 0.00 176.35 174.86 1hr0 s VAL 23 N 0.15 4.70 -0.12 1.68 1.01 -0.73 -2.95 120.40 124.15 1hr0 s VAL 23 Ca 0.17 2.03 -0.13 0.00 0.00 0.00 0.00 61.98 64.05 1hr0 s VAL 23 Cb -0.14 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 1hr0 s VAL 23 CO -0.07 -0.15 0.29 -0.70 0.00 0.00 0.00 175.10 174.47 1hr0 s GLU 24 N 3.02 4.04 0.24 2.72 2.12 -1.26 -1.59 118.70 127.99 1hr0 s GLU 24 Ca 0.45 0.11 0.10 0.00 0.36 0.00 0.00 54.97 55.99 1hr0 s GLU 24 Cb -0.15 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1hr0 s GLU 24 CO 0.08 0.43 -0.10 0.50 -0.54 0.00 0.00 175.26 175.63 1hr0 s ARG 25 N -0.12 2.01 0.01 4.30 3.52 0.81 -4.99 118.95 124.50 1hr0 s ARG 25 Ca 0.17 -1.48 -0.01 0.00 -0.13 0.00 0.00 55.73 54.28 1hr0 s ARG 25 Cb -0.14 -2.03 -0.01 0.00 -1.56 0.00 0.00 34.95 31.21 1hr0 s ARG 25 CO 0.06 0.38 0.00 -1.14 -0.81 0.00 0.00 175.30 173.78 1hr0 s GLN 26 N -3.34 0.24 -0.25 5.12 0.74 -1.26 -1.75 119.66 119.16 1hr0 s GLN 26 Ca 0.29 -0.40 -0.35 0.00 0.05 0.00 0.00 55.36 54.94 1hr0 s GLN 26 Cb -0.07 0.09 0.16 0.00 1.10 0.00 0.00 33.01 34.29 1hr0 s GLN 26 CO 0.17 -0.04 1.30 -0.59 -0.55 0.00 0.00 175.29 175.57 1hr0 s PHE 27 N -1.01 -0.07 0.31 1.67 -0.12 -0.83 -4.97 117.98 112.95 1hr0 s PHE 27 Ca -0.11 0.06 -0.27 0.00 -0.05 0.00 0.00 56.93 56.56 1hr0 s PHE 27 Cb -0.07 0.50 -0.09 0.00 -0.63 0.00 0.00 43.02 42.73 1hr0 s PHE 27 CO -0.00 -0.11 0.98 -1.25 -0.05 0.00 0.00 175.22 174.79 1hr0 s PRO 28 N -1.99 4.61 0.15 1.99 0.04 -1.26 0.82 135.00 139.36 1hr0 s PRO 28 Ca 0.10 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 1hr0 s PRO 28 Cb -0.01 -2.94 -0.08 0.00 0.04 0.00 0.00 34.50 31.51 1hr0 s PRO 28 CO -0.04 0.28 1.22 -1.58 0.04 0.00 0.00 177.00 176.92 1hr0 s HIS 29 N -1.45 3.40 0.41 0.56 2.46 0.57 -4.85 115.29 116.39 1hr0 s HIS 29 Ca 0.48 1.34 0.14 0.00 0.47 0.00 0.00 55.06 57.49 1hr0 s HIS 29 Cb -0.23 -3.46 1.00 0.00 -0.13 0.00 0.00 32.58 29.76 1hr0 s HIS 29 CO 0.29 -1.38 1.90 -1.00 -2.47 0.00 0.00 174.74 172.07 1hr0 h PRO 30 N 5.77 0.47 0.00 2.88 0.13 -1.92 0.33 132.00 139.65 1hr0 h PRO 30 Ca -0.44 -0.03 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 1hr0 h PRO 30 Cb 1.21 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 1hr0 h PRO 30 CO 0.77 0.31 -2.04 -0.11 -0.23 0.00 0.00 178.00 176.71 1hr0 n LEU 31 N -4.50 1.66 -0.50 1.56 7.94 -1.26 -4.59 117.00 117.30 1hr0 n LEU 31 Ca 0.16 -0.06 0.11 0.00 -1.11 0.00 0.00 56.01 55.11 1hr0 n LEU 31 Cb 0.54 -0.20 0.05 0.00 0.53 0.00 0.00 43.42 44.33 1hr0 n LEU 31 CO 0.32 0.61 0.37 -1.22 -1.11 0.00 0.00 177.39 176.36 1hr0 n TYR 32 N -2.82 0.00 0.00 1.96 0.53 -1.24 -4.97 117.16 110.62 1hr0 n TYR 32 Ca -0.29 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.59 1hr0 n TYR 32 Cb 0.91 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 39.20 1hr0 n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1hr0 n GLY 33 N 1.40 0.00 3.70 2.72 0.00 0.12 -4.87 105.19 108.25 1hr0 n GLY 33 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1hr0 n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1hr0 n LYS 34 N -1.13 1.65 -2.41 1.61 2.85 -1.26 -3.78 118.16 115.69 1hr0 n LYS 34 Ca 0.00 0.60 -0.41 0.00 -1.05 0.00 0.00 58.31 57.45 1hr0 n LYS 34 Cb 0.00 -2.40 -0.04 0.00 -0.65 0.00 0.00 35.03 31.95 1hr0 n LYS 34 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1hr0 s VAL 35 N -1.29 3.54 0.03 0.58 1.01 -1.26 -0.31 120.40 122.69 1hr0 s VAL 35 Ca 0.67 1.38 0.06 0.00 0.00 0.00 0.00 61.98 64.08 1hr0 s VAL 35 Cb -0.46 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1hr0 s VAL 35 CO 0.53 0.26 -0.16 0.27 0.00 0.00 0.00 175.10 176.00 1hr0 s ILE 36 N -0.47 1.30 -0.43 2.22 -4.36 0.24 -4.88 121.20 114.82 1hr0 s ILE 36 Ca 0.50 -0.98 -0.14 0.00 -0.26 0.00 0.00 60.65 59.77 1hr0 s ILE 36 Cb -0.32 -1.14 0.04 0.00 1.25 0.00 0.00 42.46 42.29 1hr0 s ILE 36 CO 0.39 0.14 0.31 -0.75 0.24 0.00 0.00 174.94 175.27 1hr0 s LYS 37 N -0.97 2.91 0.45 0.37 2.20 -1.26 -1.96 119.74 121.47 1hr0 s LYS 37 Ca 0.04 -1.19 0.07 0.00 -0.36 0.00 0.00 55.97 54.54 1hr0 s LYS 37 Cb -0.08 -3.97 -0.01 0.00 -1.51 0.00 0.00 37.83 32.26 1hr0 s LYS 37 CO 0.01 -0.86 0.37 0.50 -0.36 0.00 0.00 175.35 175.01 1hr0 s ARG 38 N 1.62 2.42 0.30 4.03 6.06 -0.72 -4.95 118.95 127.71 1hr0 s ARG 38 Ca 0.04 -1.69 -0.19 0.00 -2.50 0.00 0.00 55.73 51.39 1hr0 s ARG 38 Cb -0.21 -2.27 0.05 0.00 0.06 0.00 0.00 34.95 32.58 1hr0 s ARG 38 CO 0.08 -0.29 0.81 -1.54 -2.50 0.00 0.00 175.30 171.86 1hr0 s SER 39 N -4.14 -0.10 -0.18 -2.12 1.04 -1.26 -0.13 113.70 106.80 1hr0 s SER 39 Ca 0.45 -0.84 -0.28 0.00 0.48 0.00 0.00 55.95 55.76 1hr0 s SER 39 Cb -0.02 0.73 0.11 0.00 0.10 0.00 0.00 66.02 66.94 1hr0 s SER 39 CO 0.26 -1.42 0.91 -0.75 0.98 0.00 0.00 173.24 173.23 1hr0 s LYS 40 N -2.93 0.69 -0.11 4.02 2.20 -0.62 -4.97 119.74 118.02 1hr0 s LYS 40 Ca 0.14 0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 55.99 1hr0 s LYS 40 Cb -0.05 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 36.55 1hr0 s LYS 40 CO 0.08 -0.17 0.33 0.15 -0.36 0.00 0.00 175.35 175.38 1hr0 s LYS 41 N -0.61 4.11 0.00 4.03 1.02 -1.26 -1.77 119.74 125.27 1hr0 s LYS 41 Ca -0.02 0.19 0.07 0.00 0.02 0.00 0.00 55.97 56.23 1hr0 s LYS 41 Cb -0.02 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 1hr0 s LYS 41 CO 0.01 0.39 -0.21 0.71 -0.92 0.00 0.00 175.35 175.32 1hr0 s TYR 42 N -0.02 2.47 -0.69 3.18 1.51 -0.10 -4.95 117.35 118.76 1hr0 s TYR 42 Ca 0.19 -0.32 -0.16 0.00 -1.01 0.00 0.00 57.07 55.77 1hr0 s TYR 42 Cb -0.14 -1.50 0.16 0.00 -0.11 0.00 0.00 41.96 40.37 1hr0 s TYR 42 CO 0.07 0.12 0.68 -0.51 -1.11 0.00 0.00 175.55 174.80 1hr0 s LEU 43 N -0.98 6.21 0.34 -1.29 1.43 -1.26 -0.10 118.68 123.04 1hr0 s LEU 43 Ca 0.12 -2.10 -0.25 0.00 -1.03 0.00 0.00 54.13 50.87 1hr0 s LEU 43 Cb -0.10 -2.24 -0.10 0.00 0.03 0.00 0.00 46.19 43.78 1hr0 s LEU 43 CO 0.02 -0.80 0.95 0.00 0.23 0.00 0.00 176.35 176.74 1hr0 s ALA 44 N 1.29 3.18 -0.25 4.21 0.00 0.11 -4.31 121.76 126.01 1hr0 s ALA 44 Ca 0.12 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.38 1hr0 s ALA 44 Cb -0.20 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1hr0 s ALA 44 CO -0.02 0.15 0.71 -1.58 0.00 0.00 0.00 175.76 175.02 1hr0 s HIS 45 N -1.70 3.30 -0.52 0.00 2.46 0.27 0.01 115.29 119.10 1hr0 s HIS 45 Ca 0.52 0.95 0.03 0.00 0.47 0.00 0.00 55.06 57.03 1hr0 s HIS 45 Cb -0.17 -2.92 0.15 0.00 -0.13 0.00 0.00 32.58 29.51 1hr0 s HIS 45 CO 0.22 -0.34 0.33 0.34 -2.47 0.00 0.00 174.74 172.82 1hr0 s ASP 46 N 1.41 3.73 0.24 9.88 3.68 0.24 -2.43 116.67 133.41 1hr0 s ASP 46 Ca 0.30 -3.11 -0.05 0.00 2.13 0.00 0.00 52.55 51.81 1hr0 s ASP 46 Cb -0.15 -1.20 0.41 0.00 -1.45 0.00 0.00 42.92 40.53 1hr0 s ASP 46 CO 0.08 -0.19 1.73 -0.65 0.13 0.00 0.00 175.17 176.27 1hr0 h PRO 47 N 6.14 0.42 -0.49 4.34 0.11 -1.95 -2.46 132.00 138.11 1hr0 h PRO 47 Ca 0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1hr0 h PRO 47 Cb 0.87 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1hr0 h PRO 47 CO 0.56 0.28 0.00 0.39 -0.21 0.00 0.00 178.00 179.02 1hr0 n GLU 48 N -5.00 1.86 0.00 1.05 1.02 -1.26 -4.76 120.64 113.55 1hr0 n GLU 48 Ca 0.13 -0.96 0.00 0.00 -0.02 0.00 0.00 57.16 56.31 1hr0 n GLU 48 Cb 0.38 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1hr0 n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1hr0 n GLU 49 N 0.22 0.00 0.00 3.49 -0.58 -0.92 -4.82 120.64 118.02 1hr0 n GLU 49 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1hr0 n GLU 49 Cb 0.35 -0.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 1hr0 n GLU 49 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1hr0 n LYS 50 N 0.00 0.00 -1.94 3.49 4.81 -1.26 -4.41 118.16 118.85 1hr0 n LYS 50 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1hr0 n LYS 50 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1hr0 n LYS 50 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1hr0 s TYR 51 N 0.00 2.39 0.24 5.64 1.51 -1.26 -5.02 117.35 120.85 1hr0 s TYR 51 Ca 0.00 0.32 0.08 0.00 -1.01 0.00 0.00 57.07 56.46 1hr0 s TYR 51 Cb 0.00 -3.95 -0.04 0.00 -0.11 0.00 0.00 41.96 37.86 1hr0 s TYR 51 CO 0.00 -3.83 0.08 0.15 -1.11 0.00 0.00 175.55 170.85 1hr0 s LYS 52 N 2.76 2.60 -0.23 -0.62 1.02 -1.26 -5.02 119.74 118.99 1hr0 s LYS 52 Ca 0.74 -1.18 -0.40 0.00 0.02 0.00 0.00 55.97 55.15 1hr0 s LYS 52 Cb -0.39 -2.39 -0.16 0.00 -0.52 0.00 0.00 37.83 34.38 1hr0 s LYS 52 CO 0.32 0.40 1.71 -0.11 -0.92 0.00 0.00 175.35 176.76 1hr0 n LEU 53 N -0.83 2.37 0.00 3.17 7.94 -1.26 -2.53 117.00 125.86 1hr0 n LEU 53 Ca -0.08 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 1hr0 n LEU 53 Cb 0.58 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1hr0 n LEU 53 CO 0.41 -0.47 0.00 0.61 -1.11 0.00 0.00 177.39 176.83 1hr0 n GLY 54 N 4.05 2.14 3.78 -3.96 0.00 -1.01 -4.83 105.19 105.36 1hr0 n GLY 54 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 1hr0 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hr0 s ASP 55 N -1.88 4.53 -0.23 1.61 1.01 -1.05 -2.08 116.67 118.57 1hr0 s ASP 55 Ca 0.00 1.62 -0.01 0.00 0.71 0.00 0.00 52.55 54.87 1hr0 s ASP 55 Cb 0.00 -2.37 0.02 0.00 1.01 0.00 0.00 42.92 41.59 1hr0 s ASP 55 CO 0.00 -1.99 -0.10 -0.69 0.21 0.00 0.00 175.17 172.60 1hr0 s VAL 56 N -2.99 2.62 0.28 -1.27 1.01 -0.72 -1.59 120.40 117.75 1hr0 s VAL 56 Ca 0.61 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1hr0 s VAL 56 Cb -0.16 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.88 1hr0 s VAL 56 CO 0.56 0.29 -0.11 0.68 0.00 0.00 0.00 175.10 176.51 1hr0 s VAL 57 N 1.30 1.99 -0.14 2.92 -7.23 -0.36 0.13 120.40 119.01 1hr0 s VAL 57 Ca 0.01 -2.22 -0.11 0.00 -1.81 0.00 0.00 61.98 57.85 1hr0 s VAL 57 Cb -0.16 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 1hr0 s VAL 57 CO -0.07 -0.35 0.22 -1.61 -0.31 0.00 0.00 175.10 172.98 1hr0 s GLU 58 N -3.64 3.98 -0.03 4.82 2.02 0.20 -1.55 118.70 124.51 1hr0 s GLU 58 Ca 0.29 -0.02 -0.01 0.00 0.02 0.00 0.00 54.97 55.25 1hr0 s GLU 58 Cb 0.01 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 1hr0 s GLU 58 CO 0.13 0.45 0.06 0.42 0.02 0.00 0.00 175.26 176.33 1hr0 s ILE 59 N -0.13 4.61 -0.06 -1.63 -1.09 0.75 -0.12 121.20 123.53 1hr0 s ILE 59 Ca 0.14 -0.37 0.01 0.00 -2.23 0.00 0.00 60.65 58.21 1hr0 s ILE 59 Cb -0.13 -3.06 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 1hr0 s ILE 59 CO 0.03 0.42 -0.08 -0.51 -1.23 0.00 0.00 174.94 173.57 1hr0 s ILE 60 N -1.11 0.85 -0.11 2.92 -1.16 -0.62 0.15 121.20 122.12 1hr0 s ILE 60 Ca 0.20 -0.28 -0.38 0.00 -0.51 0.00 0.00 60.65 59.67 1hr0 s ILE 60 Cb -0.12 -0.82 -0.16 0.00 0.61 0.00 0.00 42.46 41.97 1hr0 s ILE 60 CO 0.10 0.30 1.61 1.21 -2.81 0.00 0.00 174.94 175.35 1hr0 n GLU 61 N 4.11 1.30 -4.43 3.50 2.13 0.20 -2.18 120.64 125.26 1hr0 n GLU 61 Ca -0.22 0.47 -0.23 0.00 0.66 0.00 0.00 57.16 57.85 1hr0 n GLU 61 Cb 0.51 -2.16 -0.09 0.00 0.27 0.00 0.00 31.44 29.97 1hr0 n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1hr0 s SER 62 N 2.38 2.28 0.26 4.31 0.01 -0.40 -4.85 113.70 117.70 1hr0 s SER 62 Ca 0.92 -1.63 -0.30 0.00 1.31 0.00 0.00 55.95 56.25 1hr0 s SER 62 Cb -0.98 0.44 -0.09 0.00 0.21 0.00 0.00 66.02 65.61 1hr0 s SER 62 CO 0.56 -0.92 1.12 -0.60 0.41 0.00 0.00 173.24 173.82 1hr0 s ARG 63 N -3.72 4.61 0.14 12.44 3.52 -1.26 -4.72 118.95 129.96 1hr0 s ARG 63 Ca 0.30 1.82 -0.32 0.00 -0.13 0.00 0.00 55.73 57.40 1hr0 s ARG 63 Cb 0.04 -3.20 -0.18 0.00 -1.56 0.00 0.00 34.95 30.05 1hr0 s ARG 63 CO 0.17 0.15 0.71 -2.30 -0.81 0.00 0.00 175.30 173.21 1hr0 n PRO 64 N 1.47 0.07 -0.00 5.12 -0.02 -1.26 -4.85 135.00 135.52 1hr0 n PRO 64 Ca -0.00 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1hr0 n PRO 64 Cb 0.45 -1.19 -0.00 0.00 -0.02 0.00 0.00 33.50 32.74 1hr0 n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1hr0 n ILE 65 N 0.48 0.00 -3.67 4.25 5.41 -1.00 -5.05 119.36 119.79 1hr0 n ILE 65 Ca 0.18 -0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.91 1hr0 n ILE 65 Cb 0.20 -0.11 -0.01 0.00 -0.71 0.00 0.00 39.64 39.01 1hr0 n ILE 65 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1hr0 s SER 66 N -2.42 -0.13 0.37 4.38 1.04 -1.23 -5.07 113.70 110.64 1hr0 s SER 66 Ca -0.00 -0.24 -0.28 0.00 0.48 0.00 0.00 55.95 55.92 1hr0 s SER 66 Cb 0.00 0.32 -0.10 0.00 0.10 0.00 0.00 66.02 66.34 1hr0 s SER 66 CO 0.00 -0.58 1.36 -0.75 0.98 0.00 0.00 173.24 174.25 1hr0 s LYS 67 N -2.85 4.13 -1.02 4.02 2.20 -1.26 -2.97 119.74 122.00 1hr0 s LYS 67 Ca 0.12 2.30 -0.07 0.00 -0.36 0.00 0.00 55.97 57.97 1hr0 s LYS 67 Cb 0.01 -2.93 -0.05 0.00 -1.51 0.00 0.00 37.83 33.35 1hr0 s LYS 67 CO -0.02 -0.41 0.88 -2.13 -0.36 0.00 0.00 175.35 173.31 1hr0 n ARG 68 N 0.45 -2.02 0.00 4.03 3.00 -1.26 -4.98 116.66 115.88 1hr0 n ARG 68 Ca 0.02 0.90 0.00 0.00 -0.00 0.00 0.00 57.85 58.77 1hr0 n ARG 68 Cb 0.42 -5.62 0.00 0.00 0.00 0.00 0.00 32.46 27.26 1hr0 n ARG 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1hr0 n LYS 69 N -3.15 0.00 -1.17 -0.14 4.81 -1.16 -4.76 118.16 112.60 1hr0 n LYS 69 Ca -0.07 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.42 1hr0 n LYS 69 Cb 0.60 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.74 1hr0 n LYS 69 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1hr0 n ARG 70 N 0.00 0.54 -3.93 1.64 3.00 -1.26 -2.38 116.66 114.27 1hr0 n ARG 70 Ca 0.00 -2.42 -0.10 0.00 -0.01 0.00 0.00 57.85 55.32 1hr0 n ARG 70 Cb 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 32.46 31.78 1hr0 n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1hr0 s PHE 71 N -1.11 0.14 0.08 -1.55 0.08 -1.26 -1.27 117.98 113.09 1hr0 s PHE 71 Ca 0.35 -0.29 0.10 0.00 0.12 0.00 0.00 56.93 57.20 1hr0 s PHE 71 Cb 0.37 -0.11 -0.03 0.00 -0.57 0.00 0.00 43.02 42.68 1hr0 s PHE 71 CO -0.13 -0.16 -0.26 1.03 -0.10 0.00 0.00 175.22 175.61 1hr0 s ARG 72 N -1.03 1.55 -0.19 0.44 0.52 -0.93 0.96 118.95 120.28 1hr0 s ARG 72 Ca -0.11 -1.19 -0.29 0.00 -0.52 0.00 0.00 55.73 53.61 1hr0 s ARG 72 Cb -0.07 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 1hr0 s ARG 72 CO -0.00 0.46 1.42 0.08 0.02 0.00 0.00 175.30 177.28 1hr0 s VAL 73 N -0.93 3.99 0.00 3.52 1.01 -1.02 -1.59 120.40 125.38 1hr0 s VAL 73 Ca 0.12 1.16 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 1hr0 s VAL 73 Cb -0.10 -3.86 -0.34 0.00 0.00 0.00 0.00 36.38 32.08 1hr0 s VAL 73 CO 0.04 -0.23 0.88 0.25 0.00 0.00 0.00 175.10 176.04 1hr0 h LEU 74 N 10.51 0.76 -7.03 3.92 6.46 -0.84 -3.48 115.31 125.61 1hr0 h LEU 74 Ca -0.30 -0.91 0.27 0.00 -0.12 0.00 0.00 57.88 56.81 1hr0 h LEU 74 Cb 1.13 -0.25 -0.18 0.00 -0.73 0.00 0.00 40.66 40.63 1hr0 h LEU 74 CO 0.99 1.73 0.82 0.00 -0.62 0.00 0.00 178.44 181.36 1hr0 s ARG 75 N -2.59 0.30 -0.12 1.25 1.70 -1.22 -4.97 118.95 113.30 1hr0 s ARG 75 Ca -0.11 -0.12 -0.22 0.00 -0.47 0.00 0.00 55.73 54.81 1hr0 s ARG 75 Cb 0.05 0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 34.53 1hr0 s ARG 75 CO 0.91 -0.13 0.64 -1.17 -1.08 0.00 0.00 175.30 174.47 1hr0 s LEU 76 N -2.27 4.25 -0.15 -1.89 0.20 -1.26 -0.63 118.68 116.93 1hr0 s LEU 76 Ca 0.10 1.02 -0.18 0.00 0.69 0.00 0.00 54.13 55.76 1hr0 s LEU 76 Cb -0.00 -2.96 -0.24 0.00 -0.43 0.00 0.00 46.19 42.56 1hr0 s LEU 76 CO -0.04 -0.15 0.41 0.58 -0.29 0.00 0.00 176.35 176.85 1hr0 h VAL 77 N 4.89 0.98 -1.98 1.68 2.07 0.72 -3.48 116.25 121.13 1hr0 h VAL 77 Ca -0.38 -2.30 0.03 0.00 0.82 0.00 0.00 66.70 64.87 1hr0 h VAL 77 Cb 1.17 2.54 -0.21 0.00 -1.52 0.00 0.00 31.29 33.27 1hr0 h VAL 77 CO 0.76 0.58 0.02 -1.83 0.02 0.00 0.00 177.57 177.12 1hr0 s GLU 78 N -2.43 0.68 0.83 1.57 -1.05 -1.15 -5.01 118.70 112.15 1hr0 s GLU 78 Ca -0.24 1.23 -0.11 0.00 -0.15 0.00 0.00 54.97 55.70 1hr0 s GLU 78 Cb 0.05 0.21 0.09 0.00 -0.44 0.00 0.00 34.13 34.04 1hr0 s GLU 78 CO 0.69 -0.15 1.09 0.45 0.95 0.00 0.00 175.26 178.29 1hr0 s SER 79 N 1.76 4.08 0.00 0.83 0.15 -1.26 -1.76 113.70 117.50 1hr0 s SER 79 Ca -0.10 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.01 1hr0 s SER 79 Cb -0.06 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1hr0 s SER 79 CO -0.20 -2.25 0.00 0.61 1.20 0.00 0.00 173.24 172.60 1hr0 n GLY 80 N -1.57 0.00 0.00 9.45 0.00 -1.25 -4.85 105.19 106.98 1hr0 n GLY 80 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1hr0 n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1hr0 n ARG 81 N -0.13 0.00 0.08 1.61 1.85 -0.88 -4.88 116.66 114.30 1hr0 n ARG 81 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.95 1hr0 n ARG 81 Cb 0.00 0.00 0.43 0.00 -1.05 0.00 0.00 32.46 31.84 1hr0 n ARG 81 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1hr0 n MET 82 N 0.00 0.13 -0.14 2.89 2.81 -1.26 -2.53 117.12 119.02 1hr0 n MET 82 Ca 0.00 0.34 0.26 0.00 -1.81 0.00 0.00 57.70 56.49 1hr0 n MET 82 Cb 0.00 -1.73 0.70 0.00 -0.71 0.00 0.00 33.22 31.48 1hr0 n MET 82 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1hr0 h ASP 83 N 0.00 0.03 0.04 7.83 2.03 -1.95 1.59 116.42 125.99 1hr0 h ASP 83 Ca 0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.12 1hr0 h ASP 83 Cb 0.35 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.83 1hr0 h ASP 83 CO 0.00 0.01 -0.99 -0.07 -1.03 0.00 0.00 179.24 177.17 1hr0 h LEU 84 N 0.03 0.14 -1.66 0.15 3.38 -1.89 -3.20 115.31 112.26 1hr0 h LEU 84 Ca 0.39 -0.76 0.17 0.00 0.09 0.00 0.00 57.88 57.76 1hr0 h LEU 84 Cb 1.50 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 1hr0 h LEU 84 CO -0.02 1.41 0.51 0.58 0.09 0.00 0.00 178.44 181.02 1hr0 h VAL 85 N -0.74 0.75 0.00 1.22 2.07 -1.26 -2.38 116.25 115.91 1hr0 h VAL 85 Ca -0.24 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1hr0 h VAL 85 Cb 1.39 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1hr0 h VAL 85 CO -0.06 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 176.97 1hr0 n GLU 86 N -4.45 0.00 -0.28 1.57 -0.58 0.53 -0.81 120.64 116.61 1hr0 n GLU 86 Ca 0.15 0.62 -0.03 0.00 -0.42 0.00 0.00 57.16 57.48 1hr0 n GLU 86 Cb 0.60 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1hr0 n GLU 86 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1hr0 n LYS 87 N -2.20 -0.20 0.03 3.49 5.02 -0.92 -0.74 118.16 122.63 1hr0 n LYS 87 Ca 0.00 1.09 -0.03 0.00 -2.02 0.00 0.00 58.31 57.35 1hr0 n LYS 87 Cb 0.00 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 1hr0 n LYS 87 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1hr0 h TYR 88 N 0.00 -0.26 -0.67 2.13 3.20 -1.22 -0.70 116.97 119.45 1hr0 h TYR 88 Ca 0.22 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.20 1hr0 h TYR 88 Cb 0.39 0.11 -0.12 0.00 1.54 0.00 0.00 36.73 38.65 1hr0 h TYR 88 CO -0.65 -0.11 -0.35 -0.07 -1.64 0.00 0.00 178.16 175.33 1hr0 h LEU 89 N -0.15 -1.24 -0.35 2.82 3.38 0.11 -0.69 115.31 119.19 1hr0 h LEU 89 Ca -0.01 0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1hr0 h LEU 89 Cb 0.14 0.62 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1hr0 h LEU 89 CO -0.03 -0.30 0.13 0.40 0.09 0.00 0.00 178.44 178.73 1hr0 h ILE 90 N -0.13 0.91 -0.61 1.22 2.04 -1.07 0.19 117.51 120.06 1hr0 h ILE 90 Ca 0.25 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 66.12 1hr0 h ILE 90 Cb 0.56 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 1hr0 h ILE 90 CO -0.74 0.05 0.14 -0.09 0.00 0.00 0.00 178.15 177.51 1hr0 h ARG 91 N 0.29 0.27 -0.30 2.37 2.43 0.29 0.12 114.38 119.85 1hr0 h ARG 91 Ca 0.16 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1hr0 h ARG 91 Cb 0.12 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1hr0 h ARG 91 CO -0.15 0.18 0.16 0.00 -1.51 0.00 0.00 179.97 178.65 1hr0 h ARG 92 N 0.28 0.42 -0.92 0.20 3.08 -0.35 -2.74 114.38 114.35 1hr0 h ARG 92 Ca 0.32 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.45 1hr0 h ARG 92 Cb 0.47 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 1hr0 h ARG 92 CO -0.39 0.36 0.59 0.37 -1.07 0.00 0.00 179.97 179.83 1hr0 h GLN 93 N 0.37 0.78 -0.90 0.04 4.15 0.18 0.55 115.11 120.28 1hr0 h GLN 93 Ca 0.11 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1hr0 h GLN 93 Cb 0.07 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.54 1hr0 h GLN 93 CO -0.02 0.52 0.59 -0.91 -1.93 0.00 0.00 178.83 177.08 1hr0 h ASN 94 N 0.80 1.02 -0.43 -0.69 2.35 -0.73 -1.83 115.58 116.07 1hr0 h ASN 94 Ca 0.45 -0.03 0.09 0.00 -0.55 0.00 0.00 56.30 56.27 1hr0 h ASN 94 Cb 0.60 -0.25 -0.09 0.00 0.05 0.00 0.00 38.32 38.63 1hr0 h ASN 94 CO -0.22 0.74 -0.22 1.88 -1.65 0.00 0.00 177.43 177.96 1hr0 h TYR 95 N 1.21 -0.55 0.00 1.19 -1.99 -0.82 -1.88 116.97 114.12 1hr0 h TYR 95 Ca 0.33 0.05 0.00 0.00 2.00 0.00 0.00 58.73 61.11 1hr0 h TYR 95 Cb -0.13 0.31 0.00 0.00 2.00 0.00 0.00 36.73 38.91 1hr0 h TYR 95 CO -0.00 -0.30 0.00 0.94 -0.00 0.00 0.00 178.16 178.80 1hr0 n GLN 96 N -5.39 0.00 0.00 4.88 0.00 -0.69 -3.27 117.38 112.91 1hr0 n GLN 96 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 1hr0 n GLN 96 Cb 0.30 -0.79 0.00 0.00 0.00 0.00 0.00 30.24 29.75 1hr0 n GLN 96 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1hr0 n SER 97 N 0.41 0.00 -2.44 1.69 3.41 -0.71 -4.88 113.62 111.11 1hr0 n SER 97 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1hr0 n SER 97 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1hr0 n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hr0 n LEU 98 N -0.46 -0.40 0.02 1.04 -0.00 -1.20 -3.81 117.00 112.19 1hr0 n LEU 98 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 1hr0 n LEU 98 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 1hr0 n LEU 98 CO 0.00 -0.62 0.00 -1.54 -0.00 0.00 0.00 177.39 175.23 1hr0 n SER 99 N 4.12 -0.39 0.00 1.45 3.41 -1.26 -4.99 113.62 115.96 1hr0 n SER 99 Ca 0.36 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 1hr0 n SER 99 Cb 0.05 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1hr0 n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1hr0 n LYS 100 N -2.76 0.86 0.00 4.33 5.02 -1.25 -5.03 118.16 119.33 1hr0 n LYS 100 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1hr0 n LYS 100 Cb 0.00 -0.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 1hr0 n LYS 100 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1hr0 n ARG 101 N -1.38 0.00 0.00 1.97 5.12 -1.26 -5.18 116.66 115.93 1hr0 n ARG 101 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1hr0 n ARG 101 Cb 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.48 1hr0 n ARG 101 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hr0 n GLY 102 N 3.53 3.54 3.21 -0.13 0.00 -1.25 -4.88 105.19 109.21 1hr0 n GLY 102 Ca 0.00 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 1hr0 n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hr0 s GLY 103 N 0.00 1.45 0.14 -0.02 0.00 -1.26 -4.57 107.32 103.05 1hr0 s GLY 103 Ca 0.00 -1.13 -0.32 0.00 0.00 0.00 0.00 44.72 43.27 1hr0 s GLY 103 CO 0.00 0.15 0.83 0.28 0.00 0.00 0.00 173.10 174.36 1hr0 n LYS 104 N 4.34 0.28 0.00 2.90 4.76 -1.26 -4.99 118.16 124.19 1hr0 n LYS 104 Ca -0.20 0.10 0.13 0.00 -2.87 0.00 0.00 58.31 55.47 1hr0 n LYS 104 Cb 0.51 -1.36 0.37 0.00 -1.84 0.00 0.00 35.03 32.72 1hr0 n LYS 104 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03