#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr5 s VAL 2 N 0.00 3.85 0.01 2.62 1.01 -1.26 -3.96 120.40 122.67 3hr5 s VAL 2 Ca 0.00 1.14 -0.00 0.00 0.00 0.00 0.00 61.98 63.12 3hr5 s VAL 2 Cb 0.00 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3hr5 s VAL 2 CO 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 175.10 175.03 3hr5 s GLN 3 N 3.08 0.21 -0.08 2.72 -2.07 -0.59 -5.01 119.66 117.92 3hr5 s GLN 3 Ca 0.63 -0.42 0.03 0.00 -1.82 0.00 0.00 55.36 53.79 3hr5 s GLN 3 Cb -0.29 0.08 0.01 0.00 -1.09 0.00 0.00 33.01 31.71 3hr5 s GLN 3 CO 0.24 -0.03 -0.18 -0.51 -1.32 0.00 0.00 175.29 173.49 3hr5 s LEU 4 N -1.01 1.86 -0.20 2.60 2.01 -1.26 -0.57 118.68 122.12 3hr5 s LEU 4 Ca -0.11 -0.41 0.01 0.00 0.01 0.00 0.00 54.13 53.62 3hr5 s LEU 4 Cb -0.07 -1.09 0.04 0.00 0.01 0.00 0.00 46.19 45.09 3hr5 s LEU 4 CO -0.01 0.10 -0.10 -0.69 1.01 0.00 0.00 176.35 176.67 3hr5 s VAL 5 N 0.44 1.61 0.31 -1.59 1.01 -0.42 -4.23 120.40 117.52 3hr5 s VAL 5 Ca -0.15 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.70 3hr5 s VAL 5 Cb -0.16 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 3hr5 s VAL 5 CO 0.06 0.17 0.71 -1.61 0.00 0.00 0.00 175.10 174.42 3hr5 s GLU 6 N 1.41 3.99 0.04 2.72 8.01 -1.26 -0.97 118.70 132.64 3hr5 s GLU 6 Ca -0.01 0.63 -0.12 0.00 0.01 0.00 0.00 54.97 55.48 3hr5 s GLU 6 Cb -0.16 -2.48 0.01 0.00 -4.31 0.00 0.00 34.13 27.19 3hr5 s GLU 6 CO -0.08 0.19 0.26 -1.12 0.01 0.00 0.00 175.26 174.52 3hr5 s SER 7 N -2.25 -0.07 0.00 -0.19 0.01 -0.21 -4.76 113.70 106.22 3hr5 s SER 7 Ca 0.53 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.56 3hr5 s SER 7 Cb -0.11 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.45 3hr5 s SER 7 CO 0.18 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.86 3hr5 n GLY 8 N 0.68 0.62 3.74 3.44 0.00 -1.26 -0.64 105.19 111.77 3hr5 n GLY 8 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 3hr5 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hr5 s GLY 9 N -1.77 2.35 0.00 -0.02 0.00 -1.26 -4.76 107.32 101.86 3hr5 s GLY 9 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.53 3hr5 s GLY 9 CO 0.00 1.20 0.00 0.61 0.00 0.00 0.00 173.10 174.91 3hr5 n GLY 10 N 0.17 -1.34 3.68 0.20 0.00 -0.38 -4.85 105.19 102.67 3hr5 n GLY 10 Ca 0.13 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 3hr5 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hr5 s LEU 11 N 0.00 4.19 0.03 0.99 2.96 -1.26 -1.63 118.68 123.95 3hr5 s LEU 11 Ca 0.00 1.48 0.04 0.00 -0.22 0.00 0.00 54.13 55.43 3hr5 s LEU 11 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 3hr5 s LEU 11 CO 0.00 -0.55 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.68 3hr5 s VAL 12 N 2.52 0.87 0.44 1.68 1.01 0.41 -4.97 120.40 122.37 3hr5 s VAL 12 Ca 0.47 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 3hr5 s VAL 12 Cb -0.17 -0.80 -0.08 0.00 0.00 0.00 0.00 36.38 35.33 3hr5 s VAL 12 CO 0.13 -0.02 1.32 -1.10 0.00 0.00 0.00 175.10 175.42 3hr5 s GLN 13 N -0.97 3.76 0.18 2.72 -1.52 -1.25 -1.23 119.66 121.35 3hr5 s GLN 13 Ca -0.00 2.17 -0.33 0.00 -1.95 0.00 0.00 55.36 55.24 3hr5 s GLN 13 Cb -0.07 -2.62 -0.15 0.00 -0.22 0.00 0.00 33.01 29.95 3hr5 s GLN 13 CO 0.01 -0.67 1.30 -2.30 -0.25 0.00 0.00 175.29 173.38 3hr5 n PRO 14 N -0.19 1.50 -0.00 2.91 -0.02 -1.26 -0.52 135.00 137.41 3hr5 n PRO 14 Ca 0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3hr5 n PRO 14 Cb 0.44 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3hr5 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hr5 n GLY 15 N 2.28 0.92 0.26 -1.23 0.00 0.68 -4.92 105.19 103.17 3hr5 n GLY 15 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 3hr5 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hr5 n GLY 16 N -2.00 -1.08 2.94 -0.02 0.00 0.32 -4.03 105.19 101.31 3hr5 n GLY 16 Ca 0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 3hr5 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hr5 s SER 17 N -1.32 0.12 0.00 1.61 0.15 -1.26 -1.49 113.70 111.51 3hr5 s SER 17 Ca 0.05 -0.26 -0.05 0.00 0.70 0.00 0.00 55.95 56.38 3hr5 s SER 17 Cb -0.00 0.07 -0.00 0.00 -1.71 0.00 0.00 66.02 64.37 3hr5 s SER 17 CO 0.04 -0.17 0.10 -0.76 1.20 0.00 0.00 173.24 173.64 3hr5 s LEU 18 N -0.81 1.72 -0.19 3.45 1.43 -0.06 -5.00 118.68 119.21 3hr5 s LEU 18 Ca -0.09 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3hr5 s LEU 18 Cb -0.06 0.51 -0.01 0.00 0.03 0.00 0.00 46.19 46.67 3hr5 s LEU 18 CO -0.00 -0.32 -0.08 -0.60 0.23 0.00 0.00 176.35 175.57 3hr5 s ARG 19 N -1.27 3.35 0.11 1.70 3.52 -1.26 0.35 118.95 125.45 3hr5 s ARG 19 Ca -0.14 -0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 54.78 3hr5 s ARG 19 Cb -0.08 -2.87 -0.05 0.00 -1.56 0.00 0.00 34.95 30.39 3hr5 s ARG 19 CO 0.01 -0.09 0.31 -0.51 -0.81 0.00 0.00 175.30 174.21 3hr5 s LEU 20 N 1.16 4.30 0.10 -0.88 1.02 0.77 -4.55 118.68 120.59 3hr5 s LEU 20 Ca 0.02 0.45 0.05 0.00 0.02 0.00 0.00 54.13 54.66 3hr5 s LEU 20 Cb -0.14 -3.16 -0.03 0.00 0.02 0.00 0.00 46.19 42.87 3hr5 s LEU 20 CO -0.02 0.09 -0.12 -0.44 0.02 0.00 0.00 176.35 175.88 3hr5 s SER 21 N -2.52 1.66 -0.14 2.29 0.01 0.19 -1.28 113.70 113.92 3hr5 s SER 21 Ca 0.38 -0.75 -0.03 0.00 1.31 0.00 0.00 55.95 56.87 3hr5 s SER 21 Cb -0.12 -0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.12 3hr5 s SER 21 CO 0.26 -0.17 0.03 0.00 0.41 0.00 0.00 173.24 173.77 3hr5 s ALA 23 N 1.97 3.57 0.06 0.00 0.00 -0.14 -1.18 121.76 126.04 3hr5 s ALA 23 Ca 0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 3hr5 s ALA 23 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 3hr5 s ALA 23 CO -0.07 -0.53 0.25 0.00 0.00 0.00 0.00 175.76 175.41 3hr5 s ALA 24 N 1.82 3.94 -0.04 0.00 0.00 0.12 -1.30 121.76 126.31 3hr5 s ALA 24 Ca 0.20 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 3hr5 s ALA 24 Cb -0.15 -1.93 0.02 0.00 0.00 0.00 0.00 23.12 21.06 3hr5 s ALA 24 CO 0.09 0.77 0.31 0.45 0.00 0.00 0.00 175.76 177.38 3hr5 s SER 25 N -2.34 -0.22 -0.41 0.00 0.15 0.27 -4.89 113.70 106.26 3hr5 s SER 25 Ca 0.35 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.20 3hr5 s SER 25 Cb -0.13 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 3hr5 s SER 25 CO 0.25 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.92 3hr5 n GLY 26 N 1.62 0.67 3.30 9.45 0.00 -1.25 -1.54 105.19 117.44 3hr5 n GLY 26 Ca -0.20 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 3hr5 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hr5 s PHE 27 N -2.04 0.22 -0.37 1.61 -0.71 -1.26 -4.35 117.98 111.08 3hr5 s PHE 27 Ca 0.00 -0.60 -0.29 0.00 -1.04 0.00 0.00 56.93 55.00 3hr5 s PHE 27 Cb 0.00 0.00 -0.00 0.00 -1.21 0.00 0.00 43.02 41.81 3hr5 s PHE 27 CO 0.00 -0.67 1.53 0.99 -1.34 0.00 0.00 175.22 175.74 3hr5 s THR 28 N -3.91 3.78 0.07 -4.49 2.01 -1.26 -4.88 115.64 106.96 3hr5 s THR 28 Ca 0.11 0.80 -0.20 0.00 0.31 0.00 0.00 61.69 62.71 3hr5 s THR 28 Cb 0.03 -4.00 -0.11 0.00 0.01 0.00 0.00 72.50 68.43 3hr5 s THR 28 CO -0.05 -0.61 1.48 0.15 -0.69 0.00 0.00 174.62 174.90 3hr5 h PHE 29 N 11.25 0.39 0.00 4.92 3.57 -1.96 -3.07 116.94 132.04 3hr5 h PHE 29 Ca -0.30 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.13 3hr5 h PHE 29 Cb 1.13 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3hr5 h PHE 29 CO 0.96 0.58 0.00 -1.13 -2.23 0.00 0.00 178.31 176.48 3hr5 n SER 30 N -4.67 0.43 -0.14 0.41 3.41 -1.26 -1.92 113.62 109.87 3hr5 n SER 30 Ca -0.05 0.70 0.14 0.00 -0.26 0.00 0.00 58.87 59.40 3hr5 n SER 30 Cb 0.25 -0.75 0.53 0.00 -0.26 0.00 0.00 64.21 63.97 3hr5 n SER 30 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hr5 n ASP 31 N -2.07 0.60 -4.16 4.04 8.00 -1.16 -4.67 116.55 117.13 3hr5 n ASP 31 Ca -0.01 -0.59 -0.21 0.00 0.71 0.00 0.00 54.79 54.69 3hr5 n ASP 31 Cb 0.03 -0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 40.98 3hr5 n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hr5 s TYR 32 N -2.54 1.32 0.62 1.24 2.02 -0.81 -4.89 117.35 114.32 3hr5 s TYR 32 Ca 0.26 -0.36 -0.15 0.00 -0.37 0.00 0.00 57.07 56.45 3hr5 s TYR 32 Cb 0.20 -0.79 -0.02 0.00 -0.40 0.00 0.00 41.96 40.95 3hr5 s TYR 32 CO 0.50 0.04 1.07 0.20 -1.57 0.00 0.00 175.55 175.80 3hr5 s GLY 33 N -1.15 2.08 0.03 0.71 0.00 -1.25 -3.89 107.32 103.87 3hr5 s GLY 33 Ca 0.03 0.40 0.03 0.00 0.00 0.00 0.00 44.72 45.18 3hr5 s GLY 33 CO 0.01 0.72 -0.10 -0.42 0.00 0.00 0.00 173.10 173.31 3hr5 s ILE 34 N -2.49 0.79 0.17 0.90 -1.09 -0.56 -0.54 121.20 118.38 3hr5 s ILE 34 Ca 0.64 -0.90 0.08 0.00 -2.23 0.00 0.00 60.65 58.24 3hr5 s ILE 34 Cb -0.17 -0.76 -0.04 0.00 -1.58 0.00 0.00 42.46 39.91 3hr5 s ILE 34 CO 0.40 -0.12 -0.17 0.00 -1.23 0.00 0.00 174.94 173.82 3hr5 s ALA 35 N -0.92 1.94 -0.14 9.38 0.00 -0.31 -1.11 121.76 130.60 3hr5 s ALA 35 Ca -0.02 -1.50 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 3hr5 s ALA 35 Cb -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3hr5 s ALA 35 CO 0.01 0.18 0.00 -1.58 0.00 0.00 0.00 175.76 174.37 3hr5 s TRP 36 N -2.26 3.13 -0.01 0.00 0.52 -0.19 -1.26 118.94 118.86 3hr5 s TRP 36 Ca 0.16 -0.04 0.04 0.00 0.02 0.00 0.00 56.10 56.28 3hr5 s TRP 36 Cb -0.05 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 3hr5 s TRP 36 CO 0.06 0.18 -0.12 0.08 0.02 0.00 0.00 176.95 177.17 3hr5 s VAL 37 N -0.04 0.96 0.24 4.03 1.01 0.32 -0.95 120.40 125.98 3hr5 s VAL 37 Ca 0.03 -0.51 0.11 0.00 0.00 0.00 0.00 61.98 61.61 3hr5 s VAL 37 Cb -0.13 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 3hr5 s VAL 37 CO 0.02 0.28 -0.19 0.00 0.00 0.00 0.00 175.10 175.20 3hr5 s ARG 38 N -0.21 1.53 -0.10 2.72 1.70 0.94 0.95 118.95 126.48 3hr5 s ARG 38 Ca 0.03 -1.65 -0.03 0.00 -0.47 0.00 0.00 55.73 53.61 3hr5 s ARG 38 Cb -0.06 -1.58 0.05 0.00 -0.57 0.00 0.00 34.95 32.79 3hr5 s ARG 38 CO -0.00 0.30 0.09 -1.14 -1.08 0.00 0.00 175.30 173.47 3hr5 s GLN 39 N -3.33 -0.00 0.48 3.89 0.74 0.18 -0.28 119.66 121.34 3hr5 s GLN 39 Ca 0.25 0.25 -0.20 0.00 0.05 0.00 0.00 55.36 55.71 3hr5 s GLN 39 Cb -0.05 -0.94 -0.09 0.00 1.10 0.00 0.00 33.01 33.04 3hr5 s GLN 39 CO 0.11 -0.45 1.04 0.00 -0.55 0.00 0.00 175.29 175.44 3hr5 s ALA 40 N 2.19 2.87 -0.05 1.58 0.00 -1.26 -0.61 121.76 126.49 3hr5 s ALA 40 Ca 0.04 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 3hr5 s ALA 40 Cb -0.14 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 3hr5 s ALA 40 CO -0.06 -0.31 2.06 -2.14 0.00 0.00 0.00 175.76 175.31 3hr5 s PRO 41 N -3.23 3.80 0.00 0.00 0.02 -1.26 -0.93 135.00 133.40 3hr5 s PRO 41 Ca 0.67 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.12 3hr5 s PRO 41 Cb -0.16 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.12 3hr5 s PRO 41 CO 0.20 -1.35 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 3hr5 n GLY 42 N 4.96 0.50 2.10 0.52 0.00 -1.26 -5.03 105.19 106.98 3hr5 n GLY 42 Ca 0.23 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3hr5 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hr5 n LYS 43 N -2.95 1.26 -0.86 1.61 4.01 -0.10 -5.16 118.16 115.97 3hr5 n LYS 43 Ca 0.00 -2.10 -0.08 0.00 -0.51 0.00 0.00 58.31 55.61 3hr5 n LYS 43 Cb 0.00 0.52 0.05 0.00 -0.51 0.00 0.00 35.03 35.09 3hr5 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hr5 n GLY 44 N 1.48 -0.37 3.77 0.72 0.00 -1.26 -4.70 105.19 104.83 3hr5 n GLY 44 Ca -0.11 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 3hr5 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hr5 s LEU 45 N 0.00 4.33 -0.14 0.99 1.43 -1.26 -4.10 118.68 119.93 3hr5 s LEU 45 Ca 0.22 0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 54.02 3hr5 s LEU 45 Cb -0.01 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 43.77 3hr5 s LEU 45 CO 0.15 0.17 -0.04 -0.70 0.23 0.00 0.00 176.35 176.16 3hr5 s GLU 46 N -0.09 1.20 0.31 1.70 2.12 0.61 -5.00 118.70 119.54 3hr5 s GLU 46 Ca 0.21 -0.32 -0.29 0.00 0.36 0.00 0.00 54.97 54.92 3hr5 s GLU 46 Cb -0.14 -1.72 -0.10 0.00 0.26 0.00 0.00 34.13 32.42 3hr5 s GLU 46 CO 0.08 -0.40 1.18 -0.46 -0.54 0.00 0.00 175.26 175.13 3hr5 s TRP 47 N 1.74 3.34 -0.04 5.30 -0.00 -1.26 -0.04 118.94 127.98 3hr5 s TRP 47 Ca 0.02 1.58 -0.05 0.00 -0.00 0.00 0.00 56.10 57.65 3hr5 s TRP 47 Cb -0.14 -3.44 -0.03 0.00 -0.00 0.00 0.00 33.47 29.86 3hr5 s TRP 47 CO -0.07 -1.10 -0.11 0.28 -0.00 0.00 0.00 176.95 175.95 3hr5 n VAL 48 N 0.96 0.87 -3.58 5.86 0.31 -0.12 -4.64 118.33 117.99 3hr5 n VAL 48 Ca -0.00 0.08 -0.16 0.00 -0.01 0.00 0.00 64.34 64.25 3hr5 n VAL 48 Cb 0.44 -1.72 -0.06 0.00 -0.91 0.00 0.00 33.84 31.59 3hr5 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hr5 s ALA 49 N -2.22 -1.46 -0.01 3.52 0.00 -0.99 -0.56 121.76 120.03 3hr5 s ALA 49 Ca -0.11 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3hr5 s ALA 49 Cb 0.03 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.30 3hr5 s ALA 49 CO 0.15 -0.39 -0.00 0.12 0.00 0.00 0.00 175.76 175.63 3hr5 s PHE 50 N -1.61 0.10 -0.02 0.00 5.36 -0.08 -1.03 117.98 120.70 3hr5 s PHE 50 Ca -0.10 0.01 0.04 0.00 -0.96 0.00 0.00 56.93 55.93 3hr5 s PHE 50 Cb -0.01 -0.12 -0.01 0.00 -0.34 0.00 0.00 43.02 42.54 3hr5 s PHE 50 CO 0.05 -0.03 -0.14 -1.50 -1.46 0.00 0.00 175.22 172.14 3hr5 s ILE 51 N 0.29 1.12 0.64 3.12 2.07 -0.27 -1.70 121.20 126.47 3hr5 s ILE 51 Ca -0.02 -0.59 -0.07 0.00 -1.41 0.00 0.00 60.65 58.56 3hr5 s ILE 51 Cb -0.04 -0.95 0.03 0.00 0.13 0.00 0.00 42.46 41.63 3hr5 s ILE 51 CO -0.01 0.32 0.96 -0.94 -1.91 0.00 0.00 174.94 173.36 3hr5 s SER 52 N -0.18 5.32 0.27 4.50 1.04 -0.60 -1.50 113.70 122.54 3hr5 s SER 52 Ca 0.02 0.66 -0.06 0.00 0.48 0.00 0.00 55.95 57.06 3hr5 s SER 52 Cb -0.07 -1.52 0.50 0.00 0.10 0.00 0.00 66.02 65.03 3hr5 s SER 52 CO 0.00 -1.27 1.49 -0.90 0.98 0.00 0.00 173.24 173.54 3hr5 n ASP 53 N -2.74 -0.29 -0.77 7.02 5.75 -1.25 -0.59 116.55 123.68 3hr5 n ASP 53 Ca 0.06 1.64 0.07 0.00 -0.01 0.00 0.00 54.79 56.55 3hr5 n ASP 53 Cb 0.58 -0.52 0.21 0.00 -1.03 0.00 0.00 41.12 40.36 3hr5 n ASP 53 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3hr5 n LEU 54 N -5.53 3.40 -1.63 -2.12 4.77 -1.26 -4.85 117.00 109.79 3hr5 n LEU 54 Ca 0.17 -2.50 -0.17 0.00 -0.03 0.00 0.00 56.01 53.48 3hr5 n LEU 54 Cb 0.53 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 3hr5 n LEU 54 CO -0.11 0.70 -0.19 0.00 -1.33 0.00 0.00 177.39 176.47 3hr5 n ALA 55 N 0.02 -0.38 0.08 -1.18 0.00 0.24 -4.90 120.51 114.38 3hr5 n ALA 55 Ca 0.16 0.20 -0.06 0.00 0.00 0.00 0.00 53.44 53.75 3hr5 n ALA 55 Cb 0.66 -1.82 0.10 0.00 0.00 0.00 0.00 19.45 18.39 3hr5 n ALA 55 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3hr5 h TYR 56 N 0.00 0.33 -3.24 0.00 0.99 -1.93 -3.44 116.97 109.68 3hr5 h TYR 56 Ca -0.38 -0.13 -0.67 0.00 2.00 0.00 0.00 58.73 59.56 3hr5 h TYR 56 Cb 1.20 -0.06 -0.34 0.00 1.00 0.00 0.00 36.73 38.54 3hr5 h TYR 56 CO 0.46 0.82 -0.87 0.99 -0.00 0.00 0.00 178.16 179.56 3hr5 s THR 57 N -3.70 2.01 -0.02 -2.88 2.01 -1.26 -5.03 115.64 106.76 3hr5 s THR 57 Ca -0.04 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.02 3hr5 s THR 57 Cb 0.12 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.87 3hr5 s THR 57 CO 0.80 0.54 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.58 3hr5 s ILE 58 N 0.70 0.58 0.09 1.82 1.01 -1.26 -1.56 121.20 122.58 3hr5 s ILE 58 Ca -0.10 -0.24 0.09 0.00 0.00 0.00 0.00 60.65 60.40 3hr5 s ILE 58 Cb -0.16 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 3hr5 s ILE 58 CO 0.01 0.20 -0.23 -0.31 0.00 0.00 0.00 174.94 174.60 3hr5 s TYR 59 N 0.30 2.03 0.02 3.97 4.12 -0.69 -4.98 117.35 122.13 3hr5 s TYR 59 Ca -0.04 -0.40 0.04 0.00 0.02 0.00 0.00 57.07 56.70 3hr5 s TYR 59 Cb -0.08 -1.15 -0.02 0.00 -1.52 0.00 0.00 41.96 39.19 3hr5 s TYR 59 CO 0.00 0.20 -0.12 0.71 0.02 0.00 0.00 175.55 176.36 3hr5 s TYR 60 N -0.98 1.10 0.42 2.71 2.02 -1.26 -0.90 117.35 120.45 3hr5 s TYR 60 Ca 0.10 -0.31 -0.25 0.00 -0.37 0.00 0.00 57.07 56.23 3hr5 s TYR 60 Cb -0.10 -0.67 -0.08 0.00 -0.40 0.00 0.00 41.96 40.71 3hr5 s TYR 60 CO 0.04 0.01 1.27 0.00 -1.57 0.00 0.00 175.55 175.30 3hr5 s ALA 61 N -0.71 3.19 0.54 3.71 0.00 0.27 -4.86 121.76 123.92 3hr5 s ALA 61 Ca 0.01 1.17 0.23 0.00 0.00 0.00 0.00 51.96 53.37 3hr5 s ALA 61 Cb -0.07 -3.47 1.44 0.00 0.00 0.00 0.00 23.12 21.03 3hr5 s ALA 61 CO 0.01 -0.79 2.10 -0.44 0.00 0.00 0.00 175.76 176.64 3hr5 h ASP 62 N 2.55 0.00 0.30 0.00 5.19 -1.94 -1.43 116.42 121.10 3hr5 h ASP 62 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3hr5 h ASP 62 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 3hr5 h ASP 62 CO 0.62 0.00 0.00 1.07 -3.12 0.00 0.00 179.24 177.81 3hr5 n THR 63 N -4.27 0.56 0.00 0.35 5.66 -1.26 -3.30 114.28 112.01 3hr5 n THR 63 Ca 0.02 0.14 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 3hr5 n THR 63 Cb 0.29 -0.88 0.00 0.00 -1.55 0.00 0.00 70.33 68.19 3hr5 n THR 63 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3hr5 n VAL 64 N -1.29 0.00 -2.08 1.08 0.31 -0.63 -5.05 118.33 110.66 3hr5 n VAL 64 Ca 0.07 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.97 3hr5 n VAL 64 Cb 0.13 0.71 -0.02 0.00 -0.91 0.00 0.00 33.84 33.75 3hr5 n VAL 64 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3hr5 s THR 65 N -0.09 2.64 0.00 2.52 -1.32 -0.64 -2.12 115.64 116.63 3hr5 s THR 65 Ca 0.00 0.64 0.00 0.00 -1.21 0.00 0.00 61.69 61.12 3hr5 s THR 65 Cb 0.00 -3.41 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 3hr5 s THR 65 CO 0.00 0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 3hr5 n GLY 66 N 0.75 3.17 0.12 6.08 0.00 -1.26 -4.78 105.19 109.28 3hr5 n GLY 66 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3hr5 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hr5 n ARG 67 N -1.45 0.37 -3.72 1.61 1.74 -1.02 -5.01 116.66 109.17 3hr5 n ARG 67 Ca 0.00 0.09 -0.33 0.00 -0.77 0.00 0.00 57.85 56.84 3hr5 n ARG 67 Cb 0.00 -1.27 -0.05 0.00 -1.02 0.00 0.00 32.46 30.12 3hr5 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hr5 s PHE 68 N -2.30 3.54 -0.06 -1.55 0.40 -0.90 -2.23 117.98 114.88 3hr5 s PHE 68 Ca -0.20 0.57 0.03 0.00 -0.60 0.00 0.00 56.93 56.73 3hr5 s PHE 68 Cb 0.06 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.59 3hr5 s PHE 68 CO 0.34 0.54 -0.14 0.99 0.70 0.00 0.00 175.22 177.64 3hr5 s THR 69 N -1.45 1.25 -0.16 0.64 2.01 -0.15 -4.88 115.64 112.90 3hr5 s THR 69 Ca 0.33 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 3hr5 s THR 69 Cb -0.13 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 3hr5 s THR 69 CO 0.20 0.38 0.06 -0.51 -0.69 0.00 0.00 174.62 174.06 3hr5 s ILE 70 N 0.42 4.79 0.18 1.82 2.07 -1.26 -0.87 121.20 128.35 3hr5 s ILE 70 Ca -0.11 -0.04 -0.06 0.00 -1.41 0.00 0.00 60.65 59.03 3hr5 s ILE 70 Cb -0.14 -3.13 -0.02 0.00 0.13 0.00 0.00 42.46 39.30 3hr5 s ILE 70 CO 0.03 0.49 0.24 -0.94 -1.91 0.00 0.00 174.94 172.85 3hr5 s SER 71 N 0.08 0.10 0.04 4.50 1.04 -1.00 -5.01 113.70 113.45 3hr5 s SER 71 Ca 0.05 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.42 3hr5 s SER 71 Cb -0.12 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 3hr5 s SER 71 CO 0.01 -0.89 -0.02 0.00 0.98 0.00 0.00 173.24 173.32 3hr5 s ARG 72 N -4.03 0.48 -0.36 4.02 1.70 -1.26 -0.47 118.95 119.03 3hr5 s ARG 72 Ca 0.24 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.58 3hr5 s ARG 72 Cb 0.04 0.17 0.11 0.00 -0.57 0.00 0.00 34.95 34.70 3hr5 s ARG 72 CO 0.04 -0.09 0.14 0.34 -1.08 0.00 0.00 175.30 174.66 3hr5 s ASP 73 N -2.23 3.96 0.53 -2.89 -1.08 0.14 -4.99 116.67 110.12 3hr5 s ASP 73 Ca -0.04 -2.03 0.26 0.00 -0.52 0.00 0.00 52.55 50.22 3hr5 s ASP 73 Cb -0.00 -0.99 1.51 0.00 -1.46 0.00 0.00 42.92 41.97 3hr5 s ASP 73 CO -0.06 -0.36 2.13 0.78 0.52 0.00 0.00 175.17 178.18 3hr5 h ASN 74 N 7.56 0.00 1.02 -0.34 2.35 -1.96 0.42 115.58 124.63 3hr5 h ASN 74 Ca -0.08 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.57 3hr5 h ASN 74 Cb 0.98 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 3hr5 h ASN 74 CO 0.48 0.08 -0.45 0.77 -1.65 0.00 0.00 177.43 176.66 3hr5 h SER 75 N 0.00 0.00 -0.01 5.81 4.64 -1.95 -3.21 113.55 118.83 3hr5 h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hr5 h SER 75 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3hr5 h SER 75 CO 0.01 0.45 -0.58 0.29 -0.87 0.00 0.00 176.83 176.13 3hr5 n LYS 76 N -3.45 1.25 -3.63 4.77 5.02 -0.72 -5.01 118.16 116.40 3hr5 n LYS 76 Ca 0.00 -0.56 -0.21 0.00 -2.02 0.00 0.00 58.31 55.53 3hr5 n LYS 76 Cb 0.59 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 34.28 3hr5 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hr5 n ASN 77 N -0.59 -1.74 -3.95 4.39 3.02 0.06 -4.86 115.26 111.59 3hr5 n ASN 77 Ca 0.06 -0.79 -0.14 0.00 -0.03 0.00 0.00 54.58 53.69 3hr5 n ASN 77 Cb 0.36 -4.27 -0.13 0.00 -0.61 0.00 0.00 39.78 35.12 3hr5 n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hr5 s THR 78 N -3.59 0.28 0.07 3.41 2.01 -0.90 -0.70 115.64 116.22 3hr5 s THR 78 Ca 0.04 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 61.78 3hr5 s THR 78 Cb -0.01 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 3hr5 s THR 78 CO 0.80 -0.06 -0.25 -0.22 -0.69 0.00 0.00 174.62 174.20 3hr5 s LEU 79 N -0.45 2.28 0.13 4.42 2.96 -0.33 0.27 118.68 127.97 3hr5 s LEU 79 Ca -0.02 -0.61 0.08 0.00 -0.22 0.00 0.00 54.13 53.35 3hr5 s LEU 79 Cb -0.03 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 3hr5 s LEU 79 CO -0.00 0.24 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.77 3hr5 s TYR 80 N -0.90 1.69 -0.18 5.38 2.02 0.38 -0.18 117.35 125.56 3hr5 s TYR 80 Ca 0.13 -0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 3hr5 s TYR 80 Cb -0.10 -0.88 0.05 0.00 -0.40 0.00 0.00 41.96 40.63 3hr5 s TYR 80 CO 0.04 0.24 -0.00 -1.17 -1.57 0.00 0.00 175.55 173.08 3hr5 s LEU 81 N -2.31 1.45 -0.08 -1.29 2.96 -0.40 -2.36 118.68 116.65 3hr5 s LEU 81 Ca 0.10 -0.77 -0.24 0.00 -0.22 0.00 0.00 54.13 53.00 3hr5 s LEU 81 Cb -0.07 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 3hr5 s LEU 81 CO 0.05 -0.25 0.72 -1.58 -1.32 0.00 0.00 176.35 173.97 3hr5 s GLN 82 N 1.74 4.42 -0.23 1.98 2.00 -0.05 -0.16 119.66 129.36 3hr5 s GLN 82 Ca -0.01 0.91 0.01 0.00 -2.00 0.00 0.00 55.36 54.27 3hr5 s GLN 82 Cb -0.16 -3.46 0.06 0.00 0.80 0.00 0.00 33.01 30.24 3hr5 s GLN 82 CO -0.07 0.01 -0.07 -1.64 -0.50 0.00 0.00 175.29 173.02 3hr5 s MET 83 N 0.97 1.81 0.19 1.67 -1.94 0.15 -0.98 119.30 121.18 3hr5 s MET 83 Ca 0.38 -1.02 0.06 0.00 -1.71 0.00 0.00 55.69 53.40 3hr5 s MET 83 Cb -0.18 -2.61 -0.04 0.00 2.01 0.00 0.00 34.83 34.02 3hr5 s MET 83 CO 0.18 -0.56 0.10 -0.80 -0.01 0.00 0.00 175.02 173.93 3hr5 s ASN 84 N 1.34 5.25 -1.30 3.03 0.01 -0.95 -0.88 114.94 121.44 3hr5 s ASN 84 Ca -0.06 -0.27 -0.02 0.00 -0.71 0.00 0.00 52.86 51.81 3hr5 s ASN 84 Cb -0.19 -1.28 -0.00 0.00 0.41 0.00 0.00 41.25 40.19 3hr5 s ASN 84 CO -0.06 0.04 0.66 -0.24 -1.51 0.00 0.00 177.10 175.99 3hr5 n SER 85 N -0.52 -1.54 -4.77 -1.22 2.88 -0.85 -4.74 113.62 102.86 3hr5 n SER 85 Ca -0.08 -0.87 -0.40 0.00 -1.33 0.00 0.00 58.87 56.19 3hr5 n SER 85 Cb 0.56 -3.84 -0.01 0.00 -0.75 0.00 0.00 64.21 60.17 3hr5 n SER 85 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3hr5 s LEU 86 N -6.67 4.30 0.26 2.46 1.43 -0.56 -4.60 118.68 115.31 3hr5 s LEU 86 Ca 0.06 2.59 0.11 0.00 -1.03 0.00 0.00 54.13 55.86 3hr5 s LEU 86 Cb -0.02 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 3hr5 s LEU 86 CO 0.83 -0.67 -0.19 -0.13 0.23 0.00 0.00 176.35 176.42 3hr5 s ARG 87 N -2.05 1.60 0.37 1.70 0.52 -1.26 -0.23 118.95 119.60 3hr5 s ARG 87 Ca 0.53 -1.73 0.18 0.00 -0.52 0.00 0.00 55.73 54.20 3hr5 s ARG 87 Cb -0.37 -1.63 1.15 0.00 0.52 0.00 0.00 34.95 34.62 3hr5 s ARG 87 CO 0.48 0.30 1.67 0.00 0.02 0.00 0.00 175.30 177.77 3hr5 h ALA 88 N 2.35 2.14 0.00 2.13 0.00 -1.97 0.46 119.26 124.38 3hr5 h ALA 88 Ca -0.40 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hr5 h ALA 88 Cb 1.25 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3hr5 h ALA 88 CO 0.60 -0.73 -0.00 0.93 0.00 0.00 0.00 179.25 180.05 3hr5 h GLU 89 N 0.29 0.00 -0.00 0.00 3.07 -1.95 -2.32 114.58 113.67 3hr5 h GLU 89 Ca 0.73 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.59 3hr5 h GLU 89 Cb 1.82 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.73 3hr5 h GLU 89 CO -0.52 0.00 -0.21 -0.25 -1.40 0.00 0.00 179.01 176.63 3hr5 n ASP 90 N -3.17 0.52 -4.66 1.42 8.00 0.16 -4.86 116.55 113.96 3hr5 n ASP 90 Ca -0.03 -0.41 -0.42 0.00 0.71 0.00 0.00 54.79 54.64 3hr5 n ASP 90 Cb 0.08 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 3hr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hr5 s THR 91 N -2.67 3.43 -0.23 -3.53 2.01 -0.87 -4.87 115.64 108.91 3hr5 s THR 91 Ca 0.22 0.54 -0.34 0.00 0.31 0.00 0.00 61.69 62.41 3hr5 s THR 91 Cb 0.19 -3.35 0.15 0.00 0.01 0.00 0.00 72.50 69.51 3hr5 s THR 91 CO 0.54 -0.05 1.26 0.00 -0.69 0.00 0.00 174.62 175.69 3hr5 s ALA 92 N 4.07 -2.10 0.05 7.40 0.00 -0.73 -4.39 121.76 126.05 3hr5 s ALA 92 Ca 0.77 1.72 -0.30 0.00 0.00 0.00 0.00 51.96 54.15 3hr5 s ALA 92 Cb -0.36 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 3hr5 s ALA 92 CO 0.32 -0.50 1.13 0.08 0.00 0.00 0.00 175.76 176.80 3hr5 s VAL 93 N -2.00 4.24 -0.24 0.00 1.01 0.22 -1.18 120.40 122.45 3hr5 s VAL 93 Ca 0.09 1.63 -0.07 0.00 0.00 0.00 0.00 61.98 63.63 3hr5 s VAL 93 Cb -0.01 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3hr5 s VAL 93 CO -0.04 0.14 0.07 -0.31 0.00 0.00 0.00 175.10 174.95 3hr5 s TYR 94 N 0.94 3.09 -0.05 5.22 1.51 0.32 -0.65 117.35 127.73 3hr5 s TYR 94 Ca 0.56 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 56.19 3hr5 s TYR 94 Cb -0.27 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 3hr5 s TYR 94 CO 0.29 -0.33 0.07 0.71 -1.11 0.00 0.00 175.55 175.18 3hr5 s TYR 95 N 1.53 3.32 -0.19 2.71 2.02 0.27 -1.74 117.35 125.27 3hr5 s TYR 95 Ca 0.06 0.27 -0.04 0.00 -0.37 0.00 0.00 57.07 56.99 3hr5 s TYR 95 Cb -0.15 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 3hr5 s TYR 95 CO 0.03 0.57 -0.02 0.00 -1.57 0.00 0.00 175.55 174.57 3hr5 s ALA 97 N 0.85 1.04 0.34 0.00 0.00 -0.39 -1.19 121.76 122.41 3hr5 s ALA 97 Ca 0.00 -0.28 -0.26 0.00 0.00 0.00 0.00 51.96 51.41 3hr5 s ALA 97 Cb -0.14 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.35 3hr5 s ALA 97 CO 0.02 0.04 1.01 -0.98 0.00 0.00 0.00 175.76 175.85 3hr5 s ARG 98 N 0.82 4.46 -0.12 0.00 1.04 0.80 -1.16 118.95 124.78 3hr5 s ARG 98 Ca -0.12 1.50 -0.03 0.00 -1.04 0.00 0.00 55.73 56.04 3hr5 s ARG 98 Cb -0.15 -2.81 -0.03 0.00 -2.04 0.00 0.00 34.95 29.92 3hr5 s ARG 98 CO 0.02 0.13 -0.03 0.34 -0.04 0.00 0.00 175.30 175.72 3hr5 s ASP 99 N -1.43 4.94 0.25 -2.89 2.15 0.30 -1.01 116.67 118.99 3hr5 s ASP 99 Ca 0.51 -0.02 0.25 0.00 0.43 0.00 0.00 52.55 53.72 3hr5 s ASP 99 Cb -0.23 -1.59 0.90 0.00 -0.30 0.00 0.00 42.92 41.70 3hr5 s ASP 99 CO 0.29 0.27 1.75 0.78 -0.17 0.00 0.00 175.17 178.09 3hr5 h ASN 100 N 5.98 0.00 0.00 -0.34 2.35 0.02 -3.30 115.58 120.29 3hr5 h ASN 100 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3hr5 h ASN 100 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 3hr5 h ASN 100 CO 0.59 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 177.16 3hr5 n TRP 101 N -2.30 0.00 -0.08 1.19 7.02 -1.26 -4.73 117.44 117.28 3hr5 n TRP 101 Ca 0.04 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.36 3hr5 n TRP 101 Cb 0.34 -0.07 -0.05 0.00 -2.42 0.00 0.00 31.31 29.11 3hr5 n TRP 101 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3hr5 n ASP 102 N 0.00 1.44 -3.80 -0.99 10.43 -1.26 -5.12 116.55 117.25 3hr5 n ASP 102 Ca 0.00 0.24 -0.10 0.00 2.57 0.00 0.00 54.79 57.50 3hr5 n ASP 102 Cb 0.00 -0.57 -0.07 0.00 1.84 0.00 0.00 41.12 42.32 3hr5 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hr5 s ALA 103 N -2.43 -0.44 -0.59 2.24 0.00 -1.26 -5.09 121.76 114.18 3hr5 s ALA 103 Ca -0.24 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 3hr5 s ALA 103 Cb 0.08 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.68 3hr5 s ALA 103 CO 0.32 -0.50 1.45 -1.64 0.00 0.00 0.00 175.76 175.38 3hr5 s MET 104 N -3.48 3.21 -0.21 0.00 -1.94 -1.26 0.73 119.30 116.36 3hr5 s MET 104 Ca 0.02 0.37 0.04 0.00 -1.71 0.00 0.00 55.69 54.41 3hr5 s MET 104 Cb 0.03 -4.16 -0.20 0.00 2.01 0.00 0.00 34.83 32.50 3hr5 s MET 104 CO -0.09 -2.06 -0.02 -0.40 -0.01 0.00 0.00 175.02 172.45 3hr5 n ASP 105 N 9.89 1.58 -4.17 3.03 5.75 -0.18 -4.91 116.55 127.55 3hr5 n ASP 105 Ca 0.12 -0.02 -0.30 0.00 -0.01 0.00 0.00 54.79 54.58 3hr5 n ASP 105 Cb 0.49 -0.21 -0.17 0.00 -1.03 0.00 0.00 41.12 40.20 3hr5 n ASP 105 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3hr5 s TYR 106 N -2.53 2.21 0.09 2.11 2.02 -1.25 -5.00 117.35 115.01 3hr5 s TYR 106 Ca -0.26 -0.86 0.10 0.00 -0.37 0.00 0.00 57.07 55.68 3hr5 s TYR 106 Cb 0.08 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3hr5 s TYR 106 CO 0.69 -0.35 -0.27 -1.58 -1.57 0.00 0.00 175.55 172.47 3hr5 s TRP 107 N 0.37 2.29 0.85 2.71 0.52 -1.26 -0.14 118.94 124.28 3hr5 s TRP 107 Ca -0.16 -0.39 -0.14 0.00 0.02 0.00 0.00 56.10 55.42 3hr5 s TRP 107 Cb -0.17 -1.30 0.20 0.00 -1.15 0.00 0.00 33.47 31.06 3hr5 s TRP 107 CO 0.07 0.25 0.99 0.41 0.02 0.00 0.00 176.95 178.68 3hr5 n GLY 108 N 1.28 -1.90 0.19 0.98 0.00 -0.33 -4.81 105.19 100.60 3hr5 n GLY 108 Ca -0.18 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.34 3hr5 n GLY 108 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3hr5 h GLN 109 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.45 115.11 111.36 3hr5 h GLN 109 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 3hr5 h GLN 109 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.44 3hr5 h GLN 109 CO 0.23 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.47 3hr5 n GLY 110 N 1.15 2.31 3.13 0.06 0.00 -1.26 -5.01 105.19 105.56 3hr5 n GLY 110 Ca 0.04 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 3hr5 n GLY 110 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hr5 s THR 111 N -2.52 1.41 -0.18 2.61 -1.32 -0.71 -4.80 115.64 110.12 3hr5 s THR 111 Ca 0.00 -0.71 -0.19 0.00 -1.21 0.00 0.00 61.69 59.58 3hr5 s THR 111 Cb 0.00 -1.20 -0.03 0.00 -1.51 0.00 0.00 72.50 69.75 3hr5 s THR 111 CO 0.00 0.40 0.56 -0.22 -2.21 0.00 0.00 174.62 173.15 3hr5 s LEU 112 N -0.01 4.18 -0.22 9.08 2.96 -1.26 -0.52 118.68 132.88 3hr5 s LEU 112 Ca -0.02 0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 54.61 3hr5 s LEU 112 Cb -0.11 -2.79 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 3hr5 s LEU 112 CO 0.02 -0.18 0.01 -0.69 -1.32 0.00 0.00 176.35 174.19 3hr5 s VAL 113 N 1.52 3.92 -0.22 1.68 1.01 -0.33 -1.24 120.40 126.74 3hr5 s VAL 113 Ca 0.27 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 3hr5 s VAL 113 Cb -0.16 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3hr5 s VAL 113 CO 0.10 0.39 -0.12 -0.89 0.00 0.00 0.00 175.10 174.59 3hr5 s THR 114 N 1.37 2.49 -0.51 3.92 2.01 -0.65 -1.78 115.64 122.51 3hr5 s THR 114 Ca 0.05 -1.04 -0.13 0.00 0.31 0.00 0.00 61.69 60.88 3hr5 s THR 114 Cb -0.15 -2.20 0.12 0.00 0.01 0.00 0.00 72.50 70.28 3hr5 s THR 114 CO 0.01 0.32 0.42 -0.69 -0.69 0.00 0.00 174.62 173.99 3hr5 s VAL 115 N 1.29 4.73 0.24 3.82 1.01 -1.26 -0.45 120.40 129.79 3hr5 s VAL 115 Ca 0.01 -1.63 -0.21 0.00 0.00 0.00 0.00 61.98 60.15 3hr5 s VAL 115 Cb -0.15 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.20 3hr5 s VAL 115 CO -0.08 -0.82 0.67 -0.94 0.00 0.00 0.00 175.10 173.94 3hr5 s SER 116 N 3.13 -0.34 0.00 3.32 1.04 -0.36 -4.42 113.70 116.07 3hr5 s SER 116 Ca 0.04 -0.45 0.23 0.00 0.48 0.00 0.00 55.95 56.26 3hr5 s SER 116 Cb -0.28 0.68 0.45 0.00 0.10 0.00 0.00 66.02 66.97 3hr5 s SER 116 CO 0.01 -1.23 1.41 -1.54 0.98 0.00 0.00 173.24 172.87 3hr5 n SER 117 N -0.43 2.98 -4.78 7.02 3.41 -1.26 -3.77 113.62 116.79 3hr5 n SER 117 Ca -0.08 -1.93 -0.36 0.00 -0.26 0.00 0.00 58.87 56.25 3hr5 n SER 117 Cb 0.61 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 3hr5 n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hr5 s ALA 118 N -1.69 2.96 0.40 7.33 0.00 -1.26 -5.02 121.76 124.48 3hr5 s ALA 118 Ca 0.35 0.75 -0.24 0.00 0.00 0.00 0.00 51.96 52.82 3hr5 s ALA 118 Cb 0.21 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 3hr5 s ALA 118 CO 0.31 -0.41 1.03 -1.12 0.00 0.00 0.00 175.76 175.57 3hr5 s SER 119 N -1.64 6.79 0.13 0.00 0.01 -1.26 -5.00 113.70 112.73 3hr5 s SER 119 Ca 0.63 1.98 -0.31 0.00 1.31 0.00 0.00 55.95 59.56 3hr5 s SER 119 Cb -0.22 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.33 3hr5 s SER 119 CO 0.27 -0.46 1.58 -0.89 0.41 0.00 0.00 173.24 174.15 3hr5 s THR 120 N -1.73 2.80 -0.02 1.44 2.01 -1.26 -4.68 115.64 114.20 3hr5 s THR 120 Ca 0.58 0.50 0.00 0.00 0.31 0.00 0.00 61.69 63.08 3hr5 s THR 120 Cb -0.20 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.01 3hr5 s THR 120 CO 0.25 0.03 0.00 -0.75 -0.69 0.00 0.00 174.62 173.46 3hr5 s LYS 121 N 1.60 0.14 0.29 4.92 2.20 0.06 -4.95 119.74 124.00 3hr5 s LYS 121 Ca 0.71 0.06 -0.19 0.00 -0.36 0.00 0.00 55.97 56.19 3hr5 s LYS 121 Cb -0.42 -0.29 -0.09 0.00 -1.51 0.00 0.00 37.83 35.52 3hr5 s LYS 121 CO 0.31 -0.09 0.78 0.20 -0.36 0.00 0.00 175.35 176.20 3hr5 s GLY 122 N 0.68 2.54 0.64 5.54 0.00 -1.26 -1.62 107.32 113.83 3hr5 s GLY 122 Ca -0.06 0.20 -0.13 0.00 0.00 0.00 0.00 44.72 44.73 3hr5 s GLY 122 CO -0.02 0.52 1.05 2.56 0.00 0.00 0.00 173.10 177.22 3hr5 s PRO 123 N -2.39 3.17 0.02 2.90 0.04 -1.26 -4.62 135.00 132.85 3hr5 s PRO 123 Ca 0.49 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 3hr5 s PRO 123 Cb -0.14 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3hr5 s PRO 123 CO 0.20 -0.92 0.43 -1.12 0.04 0.00 0.00 177.00 175.62 3hr5 s SER 124 N -3.28 6.83 -0.24 6.66 0.01 0.49 -4.87 113.70 119.30 3hr5 s SER 124 Ca 0.61 1.00 -0.01 0.00 1.31 0.00 0.00 55.95 58.86 3hr5 s SER 124 Cb -0.15 -2.26 0.03 0.00 0.21 0.00 0.00 66.02 63.85 3hr5 s SER 124 CO 0.45 0.30 -0.09 -0.69 0.41 0.00 0.00 173.24 173.63 3hr5 s VAL 125 N -1.11 2.65 0.08 3.43 1.01 -1.26 -0.58 120.40 124.62 3hr5 s VAL 125 Ca 0.25 -1.10 0.09 0.00 0.00 0.00 0.00 61.98 61.22 3hr5 s VAL 125 Cb -0.17 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3hr5 s VAL 125 CO 0.15 0.21 -0.23 -0.36 0.00 0.00 0.00 175.10 174.87 3hr5 s PHE 126 N 1.29 2.43 0.33 5.22 0.08 0.11 -4.95 117.98 122.48 3hr5 s PHE 126 Ca -0.00 -0.33 -0.22 0.00 0.12 0.00 0.00 56.93 56.50 3hr5 s PHE 126 Cb -0.17 -1.37 -0.10 0.00 -0.57 0.00 0.00 43.02 40.82 3hr5 s PHE 126 CO -0.06 0.26 0.87 -1.25 -0.10 0.00 0.00 175.22 174.94 3hr5 s PRO 127 N -1.66 4.34 -0.46 0.24 0.04 -1.26 0.11 135.00 136.34 3hr5 s PRO 127 Ca 0.14 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 3hr5 s PRO 127 Cb -0.10 -2.60 0.09 0.00 0.04 0.00 0.00 34.50 31.92 3hr5 s PRO 127 CO 0.05 0.21 0.35 -0.51 0.04 0.00 0.00 177.00 177.14 3hr5 s LEU 128 N -2.46 5.50 0.19 -3.56 1.43 0.35 -4.75 118.68 115.38 3hr5 s LEU 128 Ca 0.52 -1.50 -0.30 0.00 -1.03 0.00 0.00 54.13 51.82 3hr5 s LEU 128 Cb -0.14 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 43.91 3hr5 s LEU 128 CO 0.19 -0.63 0.99 0.00 0.23 0.00 0.00 176.35 177.14 3hr5 s ALA 129 N 1.52 3.32 0.29 4.21 0.00 -1.26 -1.37 121.76 128.47 3hr5 s ALA 129 Ca 0.04 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 3hr5 s ALA 129 Cb -0.25 -3.27 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 3hr5 s ALA 129 CO 0.04 0.02 1.27 -2.30 0.00 0.00 0.00 175.76 174.78 3hr5 n PRO 130 N 2.05 1.91 -2.35 0.00 -0.02 -1.26 -4.67 135.00 130.66 3hr5 n PRO 130 Ca 0.00 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3hr5 n PRO 130 Cb 0.47 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3hr5 n PRO 130 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3hr5 n SER 131 N 1.36 -9.31 -4.78 2.55 7.64 -1.26 -4.76 113.62 105.06 3hr5 n SER 131 Ca 0.08 1.85 -0.38 0.00 1.01 0.00 0.00 58.87 61.43 3hr5 n SER 131 Cb 0.33 -5.13 -0.06 0.00 -1.01 0.00 0.00 64.21 58.35 3hr5 n SER 131 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hr5 s SER 132 N -0.58 6.86 0.00 6.43 1.04 -1.26 -4.75 113.70 121.44 3hr5 s SER 132 Ca 0.00 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.46 3hr5 s SER 132 Cb 0.00 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.81 3hr5 s SER 132 CO 0.00 0.16 0.00 1.17 0.98 0.00 0.00 173.24 175.55 3hr5 n LYS 133 N 2.58 0.00 -2.59 4.02 4.81 -1.26 -4.59 118.16 121.13 3hr5 n LYS 133 Ca -0.09 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.93 3hr5 n LYS 133 Cb 0.51 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.53 3hr5 n LYS 133 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3hr5 s SER 134 N -4.00 7.26 0.31 3.14 0.15 -1.26 -5.04 113.70 114.27 3hr5 s SER 134 Ca 0.00 1.83 0.07 0.00 0.70 0.00 0.00 55.95 58.54 3hr5 s SER 134 Cb 0.00 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.71 3hr5 s SER 134 CO 0.00 -0.32 0.36 0.28 1.20 0.00 0.00 173.24 174.75 3hr5 s THR 135 N 0.89 4.11 0.12 6.45 -1.32 -1.26 -4.75 115.64 119.88 3hr5 s THR 135 Ca 0.54 -1.18 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 3hr5 s THR 135 Cb -0.25 -3.40 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 3hr5 s THR 135 CO 0.29 -0.21 0.00 -1.54 -2.21 0.00 0.00 174.62 170.95 3hr5 n SER 136 N -1.45 -2.93 0.00 8.08 3.41 -1.26 -5.09 113.62 114.38 3hr5 n SER 136 Ca -0.03 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 3hr5 n SER 136 Cb 0.58 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 3hr5 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hr5 n GLY 137 N -2.27 -0.17 0.57 5.00 0.00 -1.26 -4.98 105.19 102.08 3hr5 n GLY 137 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3hr5 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hr5 n GLY 138 N 0.00 0.01 2.78 -0.02 0.00 -1.26 -4.93 105.19 101.77 3hr5 n GLY 138 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 3hr5 n GLY 138 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hr5 s THR 139 N -1.28 0.52 -0.00 2.61 -1.32 -1.26 -2.35 115.64 112.55 3hr5 s THR 139 Ca 0.00 -0.16 0.01 0.00 -1.21 0.00 0.00 61.69 60.33 3hr5 s THR 139 Cb 0.00 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 3hr5 s THR 139 CO 0.00 0.12 0.01 0.00 -2.21 0.00 0.00 174.62 172.54 3hr5 s ALA 140 N 1.90 3.31 -0.02 11.08 0.00 0.28 -4.80 121.76 133.50 3hr5 s ALA 140 Ca 0.03 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 3hr5 s ALA 140 Cb -0.14 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 3hr5 s ALA 140 CO -0.06 0.65 0.07 0.00 0.00 0.00 0.00 175.76 176.42 3hr5 s ALA 141 N -1.09 3.55 0.19 0.00 0.00 -1.26 0.41 121.76 123.56 3hr5 s ALA 141 Ca 0.20 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 3hr5 s ALA 141 Cb -0.12 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.42 3hr5 s ALA 141 CO 0.10 0.67 0.37 -0.48 0.00 0.00 0.00 175.76 176.42 3hr5 s LEU 142 N -1.59 0.65 0.00 0.00 0.05 0.38 -4.08 118.68 114.09 3hr5 s LEU 142 Ca 0.21 -0.85 0.00 0.00 0.05 0.00 0.00 54.13 53.54 3hr5 s LEU 142 Cb -0.12 1.46 0.00 0.00 -2.05 0.00 0.00 46.19 45.48 3hr5 s LEU 142 CO 0.12 -0.98 0.00 0.61 -0.55 0.00 0.00 176.35 175.54 3hr5 n GLY 143 N -0.28 1.06 3.01 -3.48 0.00 -0.47 0.12 105.19 105.14 3hr5 n GLY 143 Ca -0.06 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 3hr5 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hr5 s LEU 145 N 0.74 4.11 -0.43 0.00 2.96 0.30 -1.34 118.68 125.03 3hr5 s LEU 145 Ca -0.13 0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 54.22 3hr5 s LEU 145 Cb -0.16 -2.82 0.09 0.00 0.50 0.00 0.00 46.19 43.81 3hr5 s LEU 145 CO 0.03 -0.44 0.27 -0.69 -1.32 0.00 0.00 176.35 174.19 3hr5 s VAL 146 N 2.57 4.03 -0.08 1.68 1.01 0.92 0.07 120.40 130.60 3hr5 s VAL 146 Ca 0.25 -1.62 0.05 0.00 0.00 0.00 0.00 61.98 60.67 3hr5 s VAL 146 Cb -0.15 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 3hr5 s VAL 146 CO 0.11 -0.60 -0.23 -0.75 0.00 0.00 0.00 175.10 173.62 3hr5 s LYS 147 N 1.36 2.68 -0.20 2.72 2.20 0.26 -0.86 119.74 127.89 3hr5 s LYS 147 Ca 0.04 -0.85 -0.01 0.00 -0.36 0.00 0.00 55.97 54.80 3hr5 s LYS 147 Cb -0.24 -2.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.93 3hr5 s LYS 147 CO 0.00 0.26 0.18 -0.25 -0.36 0.00 0.00 175.35 175.18 3hr5 n ASP 148 N 3.27 -3.08 -4.29 1.43 8.00 -0.34 -0.38 116.55 121.16 3hr5 n ASP 148 Ca -0.18 -0.10 -0.19 0.00 0.71 0.00 0.00 54.79 55.02 3hr5 n ASP 148 Cb 0.52 -1.66 -0.11 0.00 -0.02 0.00 0.00 41.12 39.86 3hr5 n ASP 148 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hr5 s TYR 149 N -3.05 1.57 -0.14 1.24 1.13 -0.81 -4.04 117.35 113.25 3hr5 s TYR 149 Ca 0.06 -0.55 -0.20 0.00 -1.41 0.00 0.00 57.07 54.98 3hr5 s TYR 149 Cb -0.01 -0.79 0.05 0.00 -1.10 0.00 0.00 41.96 40.11 3hr5 s TYR 149 CO 0.16 0.23 0.52 0.12 -2.51 0.00 0.00 175.55 174.07 3hr5 s PHE 150 N -2.34 -0.53 0.00 -3.49 2.19 -0.64 -0.45 117.98 112.72 3hr5 s PHE 150 Ca 0.14 1.17 0.00 0.00 0.33 0.00 0.00 56.93 58.57 3hr5 s PHE 150 Cb -0.04 0.22 0.00 0.00 -1.31 0.00 0.00 43.02 41.89 3hr5 s PHE 150 CO 0.05 -0.36 0.00 -0.35 1.83 0.00 0.00 175.22 176.39 3hr5 n PRO 151 N 2.19 0.39 -1.55 10.12 -0.04 -1.26 -0.76 135.00 144.09 3hr5 n PRO 151 Ca -0.16 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 3hr5 n PRO 151 Cb 0.56 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.09 3hr5 n PRO 151 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hr5 s GLU 152 N -2.18 2.62 0.35 0.54 0.41 -1.26 -4.80 118.70 114.38 3hr5 s GLU 152 Ca 0.00 0.85 0.04 0.00 -0.41 0.00 0.00 54.97 55.45 3hr5 s GLU 152 Cb 0.00 -1.96 0.04 0.00 -1.78 0.00 0.00 34.13 30.43 3hr5 s GLU 152 CO 0.00 -1.30 0.34 -0.35 -0.49 0.00 0.00 175.26 173.46 3hr5 n PRO 153 N -3.25 0.91 -4.14 0.39 -0.04 -1.26 -4.93 135.00 122.67 3hr5 n PRO 153 Ca 0.07 -2.10 -0.15 0.00 -0.04 0.00 0.00 63.50 61.28 3hr5 n PRO 153 Cb 0.54 0.11 -0.13 0.00 -0.04 0.00 0.00 33.50 33.99 3hr5 n PRO 153 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hr5 s VAL 154 N -1.57 0.60 -0.06 0.52 0.11 -1.26 -4.49 120.40 114.25 3hr5 s VAL 154 Ca 0.26 -0.80 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 3hr5 s VAL 154 Cb -0.02 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 3hr5 s VAL 154 CO 0.16 -0.16 -0.16 0.42 -3.33 0.00 0.00 175.10 172.03 3hr5 s THR 155 N -0.89 2.86 -0.09 5.04 -4.23 -0.31 -4.97 115.64 113.04 3hr5 s THR 155 Ca -0.04 -0.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 3hr5 s THR 155 Cb -0.07 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.65 3hr5 s THR 155 CO 0.00 0.58 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.73 3hr5 s VAL 156 N -0.45 2.13 0.23 2.29 1.01 -1.25 -1.03 120.40 123.33 3hr5 s VAL 156 Ca 0.05 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3hr5 s VAL 156 Cb -0.12 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 3hr5 s VAL 156 CO 0.02 0.56 -0.02 -0.94 0.00 0.00 0.00 175.10 174.72 3hr5 s SER 157 N 0.23 2.00 0.01 3.32 1.04 -0.37 -4.96 113.70 114.96 3hr5 s SER 157 Ca -0.15 -1.20 0.06 0.00 0.48 0.00 0.00 55.95 55.14 3hr5 s SER 157 Cb -0.17 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 3hr5 s SER 157 CO 0.08 -0.47 -0.17 0.26 0.98 0.00 0.00 173.24 173.92 3hr5 s TRP 158 N -3.34 2.60 -1.06 5.02 0.52 -1.26 0.23 118.94 121.65 3hr5 s TRP 158 Ca 0.28 -0.23 -0.00 0.00 0.02 0.00 0.00 56.10 56.16 3hr5 s TRP 158 Cb 0.05 -1.52 0.00 0.00 -1.15 0.00 0.00 33.47 30.85 3hr5 s TRP 158 CO 0.09 0.21 0.00 0.09 0.02 0.00 0.00 176.95 177.36 3hr5 n ASN 159 N 1.85 0.64 -1.87 2.95 4.13 0.13 0.11 115.26 123.20 3hr5 n ASN 159 Ca -0.16 -0.88 -0.17 0.00 1.68 0.00 0.00 54.58 55.05 3hr5 n ASN 159 Cb 0.52 -1.09 -0.02 0.00 -1.54 0.00 0.00 39.78 37.65 3hr5 n ASN 159 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3hr5 n SER 160 N -1.89 -5.02 0.00 6.41 7.64 -1.26 -1.88 113.62 117.62 3hr5 n SER 160 Ca -0.23 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.69 3hr5 n SER 160 Cb 0.48 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 59.57 3hr5 n SER 160 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hr5 n GLY 161 N -1.00 0.77 0.20 0.23 0.00 0.12 -4.94 105.19 100.57 3hr5 n GLY 161 Ca -0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.86 3hr5 n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hr5 h ALA 162 N 0.00 1.39 -3.05 4.61 0.00 -1.20 -3.41 119.26 117.61 3hr5 h ALA 162 Ca 0.00 -0.29 -0.69 0.00 0.00 0.00 0.00 54.91 53.94 3hr5 h ALA 162 Cb 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 17.47 3hr5 h ALA 162 CO 0.00 0.39 -0.61 -1.17 0.00 0.00 0.00 179.25 177.87 3hr5 s LEU 163 N -8.08 4.07 0.00 0.00 2.96 -1.15 -4.90 118.68 111.57 3hr5 s LEU 163 Ca -0.03 -0.87 0.00 0.00 -0.22 0.00 0.00 54.13 53.01 3hr5 s LEU 163 Cb 0.14 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.94 3hr5 s LEU 163 CO 0.70 -0.25 0.00 0.35 -1.32 0.00 0.00 176.35 175.83 3hr5 n THR 164 N 4.86 0.00 -2.25 3.68 -2.24 -1.26 -4.11 114.28 112.96 3hr5 n THR 164 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3hr5 n THR 164 Cb 0.47 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 3hr5 n THR 164 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hr5 s SER 165 N -2.42 6.88 0.00 3.42 0.01 -1.26 -2.93 113.70 117.41 3hr5 s SER 165 Ca 0.00 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.39 3hr5 s SER 165 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3hr5 s SER 165 CO 0.00 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.59 3hr5 n GLY 166 N 3.56 0.81 3.68 3.44 0.00 -1.26 -4.80 105.19 110.61 3hr5 n GLY 166 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3hr5 n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hr5 s VAL 167 N -3.12 4.80 -0.28 1.61 1.01 -1.15 -2.95 120.40 120.32 3hr5 s VAL 167 Ca 0.00 1.92 0.01 0.00 0.00 0.00 0.00 61.98 63.91 3hr5 s VAL 167 Cb 0.00 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 32.18 3hr5 s VAL 167 CO 0.00 -0.01 -0.05 -1.00 0.00 0.00 0.00 175.10 174.04 3hr5 s HIS 168 N 2.20 3.31 -0.36 5.22 3.76 0.11 -4.98 115.29 124.55 3hr5 s HIS 168 Ca 0.45 -2.22 -0.15 0.00 -0.15 0.00 0.00 55.06 52.99 3hr5 s HIS 168 Cb -0.17 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.41 3hr5 s HIS 168 CO 0.15 -0.86 0.35 0.99 -0.85 0.00 0.00 174.74 174.51 3hr5 s THR 169 N 1.14 5.18 0.25 1.30 2.01 -1.26 -0.07 115.64 124.19 3hr5 s THR 169 Ca -0.06 -0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 3hr5 s THR 169 Cb -0.20 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 3hr5 s THR 169 CO -0.04 -0.14 0.97 -0.36 -0.69 0.00 0.00 174.62 174.36 3hr5 s PHE 170 N 1.96 3.91 0.08 4.92 0.40 0.07 -4.99 117.98 124.33 3hr5 s PHE 170 Ca 0.10 1.88 -0.34 0.00 -0.60 0.00 0.00 56.93 57.98 3hr5 s PHE 170 Cb -0.17 -3.03 -0.18 0.00 0.51 0.00 0.00 43.02 40.15 3hr5 s PHE 170 CO 0.12 0.29 0.82 -2.30 0.70 0.00 0.00 175.22 174.84 3hr5 n PRO 171 N 1.41 0.00 -1.73 0.24 -0.02 -1.26 -4.51 135.00 129.14 3hr5 n PRO 171 Ca -0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 3hr5 n PRO 171 Cb 0.47 -1.24 -0.01 0.00 -0.02 0.00 0.00 33.50 32.69 3hr5 n PRO 171 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hr5 n ALA 172 N 0.87 2.06 -2.93 3.55 0.00 -1.26 -4.81 120.51 118.00 3hr5 n ALA 172 Ca 0.18 0.37 -0.34 0.00 0.00 0.00 0.00 53.44 53.66 3hr5 n ALA 172 Cb 0.14 -2.39 -0.12 0.00 0.00 0.00 0.00 19.45 17.08 3hr5 n ALA 172 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hr5 s VAL 173 N -0.37 3.96 -0.30 0.00 1.01 0.22 -4.91 120.40 120.01 3hr5 s VAL 173 Ca 0.62 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3hr5 s VAL 173 Cb -0.53 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 3hr5 s VAL 173 CO 0.53 0.50 1.53 -0.22 0.00 0.00 0.00 175.10 177.44 3hr5 s LEU 174 N 0.29 3.77 0.77 3.92 0.20 -1.26 -1.81 118.68 124.55 3hr5 s LEU 174 Ca -0.03 1.31 -0.12 0.00 0.69 0.00 0.00 54.13 55.99 3hr5 s LEU 174 Cb -0.14 -3.53 0.05 0.00 -0.43 0.00 0.00 46.19 42.14 3hr5 s LEU 174 CO 0.03 -1.32 1.13 -1.10 -0.29 0.00 0.00 176.35 174.80 3hr5 s GLN 175 N 4.76 2.33 0.59 1.98 -0.21 -0.17 -4.92 119.66 124.01 3hr5 s GLN 175 Ca 0.67 0.34 0.29 0.00 0.02 0.00 0.00 55.36 56.68 3hr5 s GLN 175 Cb -0.20 -1.97 1.66 0.00 1.00 0.00 0.00 33.01 33.50 3hr5 s GLN 175 CO 0.29 -1.38 2.11 1.03 -2.12 0.00 0.00 175.29 175.22 3hr5 h SER 176 N -0.91 0.00 0.85 5.90 0.87 -1.95 -0.47 113.55 117.85 3hr5 h SER 176 Ca -0.46 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.05 3hr5 h SER 176 Cb 1.29 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 3hr5 h SER 176 CO 0.64 0.00 -0.25 0.77 -0.53 0.00 0.00 176.83 177.46 3hr5 h SER 177 N 0.00 0.00 0.00 6.23 4.64 -2.01 -3.47 113.55 118.94 3hr5 h SER 177 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3hr5 h SER 177 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3hr5 h SER 177 CO -0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 3hr5 n GLY 178 N 0.08 0.66 3.88 -0.77 0.00 -0.19 -5.08 105.19 103.78 3hr5 n GLY 178 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hr5 n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hr5 s LEU 179 N 0.00 4.29 0.53 0.99 1.02 -1.26 -4.83 118.68 119.43 3hr5 s LEU 179 Ca 0.00 0.34 -0.14 0.00 0.02 0.00 0.00 54.13 54.35 3hr5 s LEU 179 Cb 0.00 -2.43 -0.06 0.00 0.02 0.00 0.00 46.19 43.72 3hr5 s LEU 179 CO 0.00 0.30 0.97 -0.31 0.02 0.00 0.00 176.35 177.33 3hr5 s TYR 180 N -1.23 3.51 -0.05 0.29 2.02 0.41 -1.00 117.35 121.29 3hr5 s TYR 180 Ca 0.24 1.34 -0.13 0.00 -0.37 0.00 0.00 57.07 58.15 3hr5 s TYR 180 Cb -0.12 -2.71 0.02 0.00 -0.40 0.00 0.00 41.96 38.75 3hr5 s TYR 180 CO 0.14 -0.44 0.29 0.45 -1.57 0.00 0.00 175.55 174.43 3hr5 s SER 181 N -3.46 -0.22 0.10 2.29 0.15 -0.75 -1.20 113.70 110.61 3hr5 s SER 181 Ca 0.56 0.26 -0.15 0.00 0.70 0.00 0.00 55.95 57.33 3hr5 s SER 181 Cb -0.10 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 3hr5 s SER 181 CO 0.39 -0.31 0.35 -1.48 1.20 0.00 0.00 173.24 173.39 3hr5 s LEU 182 N -0.77 0.63 0.02 3.45 0.05 -0.04 -0.61 118.68 121.41 3hr5 s LEU 182 Ca -0.09 -0.34 0.08 0.00 0.05 0.00 0.00 54.13 53.83 3hr5 s LEU 182 Cb -0.04 1.64 -0.03 0.00 -2.05 0.00 0.00 46.19 45.71 3hr5 s LEU 182 CO 0.03 -0.79 -0.23 -0.44 -0.55 0.00 0.00 176.35 174.36 3hr5 s SER 183 N -2.68 3.40 -0.09 1.48 0.01 -1.26 -0.06 113.70 114.50 3hr5 s SER 183 Ca 0.02 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.84 3hr5 s SER 183 Cb 0.02 -0.45 -0.00 0.00 0.21 0.00 0.00 66.02 65.80 3hr5 s SER 183 CO -0.10 0.28 -0.23 -0.55 0.41 0.00 0.00 173.24 173.05 3hr5 s SER 184 N -1.09 3.19 0.06 2.44 0.15 -0.45 -0.75 113.70 117.26 3hr5 s SER 184 Ca 0.12 -0.52 0.05 0.00 0.70 0.00 0.00 55.95 56.30 3hr5 s SER 184 Cb -0.10 -1.29 -0.03 0.00 -1.71 0.00 0.00 66.02 62.89 3hr5 s SER 184 CO 0.02 0.18 -0.14 0.54 1.20 0.00 0.00 173.24 175.05 3hr5 s VAL 185 N 0.21 1.07 -0.04 4.45 0.11 0.90 -0.82 120.40 126.29 3hr5 s VAL 185 Ca -0.14 -1.24 -0.03 0.00 -2.93 0.00 0.00 61.98 57.64 3hr5 s VAL 185 Cb -0.17 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 3hr5 s VAL 185 CO 0.07 -0.20 0.10 0.54 -3.33 0.00 0.00 175.10 172.29 3hr5 s VAL 186 N -1.21 -0.01 -0.18 2.04 0.11 0.12 0.05 120.40 121.31 3hr5 s VAL 186 Ca -0.02 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 58.96 3hr5 s VAL 186 Cb -0.10 -0.15 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 3hr5 s VAL 186 CO 0.02 0.01 0.16 0.42 -3.33 0.00 0.00 175.10 172.38 3hr5 s THR 187 N 0.23 5.40 0.25 5.04 -4.23 -1.15 -0.47 115.64 120.71 3hr5 s THR 187 Ca -0.02 0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.78 3hr5 s THR 187 Cb -0.03 -3.49 -0.05 0.00 1.34 0.00 0.00 72.50 70.27 3hr5 s THR 187 CO -0.01 0.45 0.05 0.68 -0.54 0.00 0.00 174.62 175.25 3hr5 s VAL 188 N 0.24 0.80 0.11 2.29 -7.23 0.17 -4.77 120.40 112.00 3hr5 s VAL 188 Ca 0.10 -2.01 -0.33 0.00 -1.81 0.00 0.00 61.98 57.94 3hr5 s VAL 188 Cb -0.11 -2.52 -0.13 0.00 0.56 0.00 0.00 36.38 34.18 3hr5 s VAL 188 CO -0.00 -0.15 1.71 -2.65 -0.31 0.00 0.00 175.10 173.71 3hr5 n PRO 189 N -0.46 2.38 0.02 4.82 -0.02 -1.26 -0.55 135.00 139.92 3hr5 n PRO 189 Ca -0.02 0.86 0.16 0.00 -2.02 0.00 0.00 63.50 62.48 3hr5 n PRO 189 Cb 0.65 -2.69 0.63 0.00 -0.02 0.00 0.00 33.50 32.08 3hr5 n PRO 189 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3hr5 h SER 190 N 7.27 0.09 1.46 2.55 0.02 -1.78 -1.65 113.55 121.52 3hr5 h SER 190 Ca -0.46 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.45 3hr5 h SER 190 Cb 1.24 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 3hr5 h SER 190 CO 0.92 0.05 -0.23 0.77 -1.14 0.00 0.00 176.83 177.21 3hr5 h SER 191 N 0.10 0.00 0.52 3.07 4.64 -1.90 -3.27 113.55 116.72 3hr5 h SER 191 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3hr5 h SER 191 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3hr5 h SER 191 CO -0.02 0.23 0.00 -1.54 -0.87 0.00 0.00 176.83 174.62 3hr5 n SER 192 N -3.22 0.00 -4.68 4.97 3.41 -0.62 -4.71 113.62 108.77 3hr5 n SER 192 Ca 0.02 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.02 3hr5 n SER 192 Cb 0.55 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 3hr5 n SER 192 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hr5 s LEU 193 N -2.53 4.29 0.00 1.04 1.43 -1.23 0.08 118.68 121.75 3hr5 s LEU 193 Ca 0.29 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 3hr5 s LEU 193 Cb 0.20 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.87 3hr5 s LEU 193 CO 0.45 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.93 3hr5 n GLY 194 N 3.61 3.32 0.07 -3.19 0.00 -1.26 -4.79 105.19 102.94 3hr5 n GLY 194 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 3hr5 n GLY 194 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hr5 n THR 195 N -2.00 0.91 -3.89 2.61 -2.24 -1.03 -4.96 114.28 103.68 3hr5 n THR 195 Ca 0.00 -0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 60.96 3hr5 n THR 195 Cb 0.00 -0.84 -0.09 0.00 -2.10 0.00 0.00 70.33 67.30 3hr5 n THR 195 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3hr5 s GLN 196 N -2.32 4.02 -0.18 -0.78 -1.52 0.11 -5.09 119.66 113.91 3hr5 s GLN 196 Ca -0.13 -0.31 -0.14 0.00 -1.95 0.00 0.00 55.36 52.83 3hr5 s GLN 196 Cb 0.05 -3.30 -0.04 0.00 -0.22 0.00 0.00 33.01 29.49 3hr5 s GLN 196 CO 0.46 0.24 0.31 0.95 -0.25 0.00 0.00 175.29 177.00 3hr5 s THR 197 N 0.49 5.28 -0.28 -0.19 -4.23 -1.26 -4.71 115.64 110.75 3hr5 s THR 197 Ca 0.05 0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 61.07 3hr5 s THR 197 Cb -0.12 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.09 3hr5 s THR 197 CO 0.00 0.35 0.02 -0.31 -0.54 0.00 0.00 174.62 174.14 3hr5 s TYR 198 N 0.76 3.12 -0.14 3.99 2.02 -1.26 -4.95 117.35 120.88 3hr5 s TYR 198 Ca 0.16 -1.23 0.01 0.00 -0.37 0.00 0.00 57.07 55.64 3hr5 s TYR 198 Cb -0.13 -2.17 -0.00 0.00 -0.40 0.00 0.00 41.96 39.25 3hr5 s TYR 198 CO 0.05 -0.64 -0.16 0.42 -1.57 0.00 0.00 175.55 173.65 3hr5 s ILE 199 N 1.42 2.66 -0.10 2.71 1.09 -1.26 0.57 121.20 128.29 3hr5 s ILE 199 Ca 0.01 -0.78 -0.18 0.00 -1.10 0.00 0.00 60.65 58.60 3hr5 s ILE 199 Cb -0.17 -2.11 -0.04 0.00 -1.06 0.00 0.00 42.46 39.08 3hr5 s ILE 199 CO -0.00 0.52 0.47 0.00 -0.10 0.00 0.00 174.94 175.83 3hr5 s ASN 201 N 0.35 6.15 -0.13 0.00 -0.87 0.13 -1.04 114.94 119.53 3hr5 s ASN 201 Ca 0.26 -1.23 -0.03 0.00 -1.57 0.00 0.00 52.86 50.28 3hr5 s ASN 201 Cb -0.15 -2.19 -0.03 0.00 -0.02 0.00 0.00 41.25 38.86 3hr5 s ASN 201 CO 0.11 -0.63 -0.00 -0.69 -2.57 0.00 0.00 177.10 173.32 3hr5 s VAL 202 N 1.70 4.25 -0.05 1.60 1.01 0.12 -1.23 120.40 127.80 3hr5 s VAL 202 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 3hr5 s VAL 202 Cb -0.23 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.34 3hr5 s VAL 202 CO 0.08 0.54 0.03 0.21 0.00 0.00 0.00 175.10 175.96 3hr5 s ASN 203 N -0.23 1.31 -0.73 3.32 3.84 -0.20 -0.79 114.94 121.46 3hr5 s ASN 203 Ca 0.05 -0.00 0.00 0.00 0.21 0.00 0.00 52.86 53.12 3hr5 s ASN 203 Cb -0.12 -0.29 0.18 0.00 -0.55 0.00 0.00 41.25 40.47 3hr5 s ASN 203 CO 0.02 -0.21 0.55 -2.28 -2.79 0.00 0.00 177.10 172.39 3hr5 s HIS 204 N 2.01 3.59 0.28 0.43 5.65 0.12 -1.16 115.29 126.20 3hr5 s HIS 204 Ca 0.04 -3.05 0.01 0.00 0.25 0.00 0.00 55.06 52.31 3hr5 s HIS 204 Cb -0.12 -3.04 0.58 0.00 -1.18 0.00 0.00 32.58 28.81 3hr5 s HIS 204 CO -0.04 -0.71 1.79 0.87 -0.65 0.00 0.00 174.74 176.00 3hr5 h LYS 205 N 6.18 0.76 -0.57 2.88 1.57 -1.79 -2.18 116.57 123.42 3hr5 h LYS 205 Ca 0.08 -0.05 0.17 0.00 -1.87 0.00 0.00 60.65 58.98 3hr5 h LYS 205 Cb 0.84 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 3hr5 h LYS 205 CO 0.76 0.50 0.52 -1.35 -0.57 0.00 0.00 179.45 179.31 3hr5 h PRO 206 N 0.78 0.00 -0.13 3.15 0.11 -1.92 -2.09 132.00 131.90 3hr5 h PRO 206 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3hr5 h PRO 206 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3hr5 h PRO 206 CO -0.33 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.33 3hr5 n SER 207 N -3.90 2.41 -3.32 -2.05 3.41 -0.89 -4.96 113.62 104.32 3hr5 n SER 207 Ca 0.11 -2.08 -0.24 0.00 -0.26 0.00 0.00 58.87 56.40 3hr5 n SER 207 Cb 0.74 -0.12 0.04 0.00 -0.26 0.00 0.00 64.21 64.61 3hr5 n SER 207 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hr5 n ASN 208 N -0.17 -5.69 -4.37 4.04 5.15 -0.79 -4.85 115.26 108.58 3hr5 n ASN 208 Ca 0.06 -0.42 -0.41 0.00 -0.60 0.00 0.00 54.58 53.20 3hr5 n ASN 208 Cb 0.35 -4.57 -0.10 0.00 -0.53 0.00 0.00 39.78 34.93 3hr5 n ASN 208 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3hr5 s THR 209 N -3.19 4.64 -0.23 -0.44 2.01 -0.87 -5.01 115.64 112.54 3hr5 s THR 209 Ca 0.43 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.49 3hr5 s THR 209 Cb -0.20 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.71 3hr5 s THR 209 CO 0.53 -0.33 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.29 3hr5 s LYS 210 N 1.55 2.09 -0.05 4.92 2.20 -1.26 0.11 119.74 129.30 3hr5 s LYS 210 Ca 0.03 -1.11 0.05 0.00 -0.36 0.00 0.00 55.97 54.57 3hr5 s LYS 210 Cb -0.20 -2.69 -0.01 0.00 -1.51 0.00 0.00 37.83 33.42 3hr5 s LYS 210 CO 0.06 -0.52 -0.21 0.08 -0.36 0.00 0.00 175.35 174.40 3hr5 s VAL 211 N 1.25 1.71 -0.35 4.02 1.01 0.03 -5.00 120.40 123.07 3hr5 s VAL 211 Ca -0.06 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3hr5 s VAL 211 Cb -0.18 -1.46 0.07 0.00 0.00 0.00 0.00 36.38 34.80 3hr5 s VAL 211 CO -0.07 0.48 0.10 -1.81 0.00 0.00 0.00 175.10 173.81 3hr5 s ASP 212 N -0.02 5.13 -0.28 3.32 1.01 -1.26 0.15 116.67 124.73 3hr5 s ASP 212 Ca -0.05 -1.49 -0.08 0.00 0.71 0.00 0.00 52.55 51.64 3hr5 s ASP 212 Cb -0.13 -1.79 -0.02 0.00 1.01 0.00 0.00 42.92 41.99 3hr5 s ASP 212 CO 0.03 -0.38 0.10 -0.75 0.21 0.00 0.00 175.17 174.39 3hr5 s LYS 213 N 1.26 3.48 0.03 8.23 2.47 -0.21 -4.90 119.74 130.10 3hr5 s LYS 213 Ca 0.00 -0.61 -0.30 0.00 -1.56 0.00 0.00 55.97 53.50 3hr5 s LYS 213 Cb -0.21 -3.43 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 3hr5 s LYS 213 CO -0.01 -0.30 1.08 0.21 0.16 0.00 0.00 175.35 176.49 3hr5 s LYS 214 N 1.60 4.50 -0.29 4.03 2.20 -1.26 -0.70 119.74 129.83 3hr5 s LYS 214 Ca 0.05 1.59 -0.04 0.00 -0.36 0.00 0.00 55.97 57.21 3hr5 s LYS 214 Cb -0.16 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.78 3hr5 s LYS 214 CO 0.05 -0.14 0.02 0.08 -0.36 0.00 0.00 175.35 174.99 3hr5 s VAL 215 N 1.01 3.36 0.16 4.02 1.01 0.19 -4.94 120.40 125.21 3hr5 s VAL 215 Ca 0.55 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3hr5 s VAL 215 Cb -0.25 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3hr5 s VAL 215 CO 0.29 0.04 -0.13 -1.61 0.00 0.00 0.00 175.10 173.69 3hr5 s GLU 216 N 1.37 1.13 0.60 2.72 0.41 -1.26 -4.27 118.70 119.40 3hr5 s GLU 216 Ca -0.01 -1.42 -0.14 0.00 -0.41 0.00 0.00 54.97 52.99 3hr5 s GLU 216 Cb -0.18 -0.86 -0.04 0.00 -1.78 0.00 0.00 34.13 31.27 3hr5 s GLU 216 CO -0.01 0.14 1.03 -2.14 -0.49 0.00 0.00 175.26 173.80 3hr5 s PRO 217 N -3.37 3.43 0.42 0.39 0.02 -1.26 -4.53 135.00 130.11 3hr5 s PRO 217 Ca 0.16 1.00 0.01 0.00 0.02 0.00 0.00 61.00 62.20 3hr5 s PRO 217 Cb -0.01 -2.06 -0.00 0.00 0.02 0.00 0.00 34.50 32.45 3hr5 s PRO 217 CO 0.03 -0.70 0.05 0.36 -0.33 0.00 0.00 177.00 176.41 3hr5 n LYS 218 N -2.30 0.82 -0.24 5.54 2.85 -1.26 -5.05 118.16 118.52 3hr5 n LYS 218 Ca 0.07 -3.19 -0.04 0.00 -1.05 0.00 0.00 58.31 54.11 3hr5 n LYS 218 Cb 0.53 1.15 0.07 0.00 -0.65 0.00 0.00 35.03 36.13 3hr5 n LYS 218 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3hr5 h SER 219 N 1.20 0.68 0.00 -5.58 0.87 -2.01 -3.52 113.55 105.19 3hr5 h SER 219 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3hr5 h SER 219 Cb 1.11 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 3hr5 h SER 219 CO 0.56 0.48 0.00 0.00 -0.53 0.00 0.00 176.83 177.33