#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 3.47 -0.01 2.62 1.01 -1.26 -4.03 120.40 122.21 3hr5 s VAL 2 Ca 0.00 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 3hr5 s VAL 2 Cb 0.00 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 3hr5 s VAL 2 CO 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 175.10 175.11 3hr5 s GLN 3 N 3.96 0.24 -0.12 2.72 -2.07 -0.20 -5.01 119.66 119.18 3hr5 s GLN 3 Ca 0.75 -0.22 0.02 0.00 -1.82 0.00 0.00 55.36 54.09 3hr5 s GLN 3 Cb -0.35 0.10 0.01 0.00 -1.09 0.00 0.00 33.01 31.68 3hr5 s GLN 3 CO 0.31 -0.05 -0.18 -0.51 -1.32 0.00 0.00 175.29 173.55 3hr5 s LEU 4 N -0.73 1.86 -0.25 2.60 2.01 -1.26 -1.37 118.68 121.54 3hr5 s LEU 4 Ca -0.08 -0.50 0.03 0.00 0.01 0.00 0.00 54.13 53.59 3hr5 s LEU 4 Cb -0.05 -1.22 0.05 0.00 0.01 0.00 0.00 46.19 44.98 3hr5 s LEU 4 CO 0.00 0.03 -0.12 -0.69 1.01 0.00 0.00 176.35 176.58 3hr5 s VAL 5 N 0.97 2.15 0.19 -1.59 1.01 -0.93 -4.08 120.40 118.11 3hr5 s VAL 5 Ca -0.06 -1.53 -0.26 0.00 0.00 0.00 0.00 61.98 60.13 3hr5 s VAL 5 Cb -0.15 -2.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.94 3hr5 s VAL 5 CO -0.02 0.06 0.82 -1.61 0.00 0.00 0.00 175.10 174.34 3hr5 s GLU 6 N 1.13 4.62 0.24 2.72 8.01 -1.26 -0.95 118.70 133.23 3hr5 s GLU 6 Ca -0.07 1.23 -0.05 0.00 0.01 0.00 0.00 54.97 56.09 3hr5 s GLU 6 Cb -0.19 -3.24 -0.02 0.00 -4.31 0.00 0.00 34.13 26.37 3hr5 s GLU 6 CO -0.06 0.55 0.31 -1.54 0.01 0.00 0.00 175.26 174.53 3hr5 s SER 7 N -1.19 0.26 0.00 -0.19 1.04 0.13 -4.73 113.70 109.02 3hr5 s SER 7 Ca 0.38 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.55 3hr5 s SER 7 Cb -0.23 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3hr5 s SER 7 CO 0.27 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3hr5 n GLY 8 N -0.37 0.75 3.83 7.32 0.00 -1.26 -0.84 105.19 114.62 3hr5 n GLY 8 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.79 1.68 0.00 -0.02 0.00 -1.26 -4.54 107.32 101.39 3hr5 s GLY 9 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3hr5 s GLY 9 CO 0.00 -0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.46 3hr5 n GLY 10 N -2.88 -0.25 3.78 0.20 0.00 -0.74 -4.98 105.19 100.32 3hr5 n GLY 10 Ca 0.12 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 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 4.39 0.01 0.99 2.96 -1.26 -0.16 118.68 125.61 3hr5 s LEU 11 Ca 0.00 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 3hr5 s LEU 11 Cb 0.00 -2.72 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 3hr5 s LEU 11 CO 0.00 0.16 -0.04 0.68 -1.32 0.00 0.00 176.35 175.83 3hr5 s VAL 12 N -0.26 0.24 0.61 1.68 -7.23 -0.73 -4.96 120.40 109.75 3hr5 s VAL 12 Ca 0.26 -0.47 -0.18 0.00 -1.81 0.00 0.00 61.98 59.78 3hr5 s VAL 12 Cb -0.17 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.47 3hr5 s VAL 12 CO 0.13 -0.15 1.23 -1.10 -0.31 0.00 0.00 175.10 174.90 3hr5 s GLN 13 N -0.66 2.84 0.27 4.82 -1.52 -1.24 -0.67 119.66 123.49 3hr5 s GLN 13 Ca -0.05 1.89 -0.30 0.00 -1.95 0.00 0.00 55.36 54.95 3hr5 s GLN 13 Cb -0.05 -1.90 -0.10 0.00 -0.22 0.00 0.00 33.01 30.74 3hr5 s GLN 13 CO -0.00 -1.33 1.43 -2.14 -0.25 0.00 0.00 175.29 173.00 3hr5 s PRO 14 N -3.36 4.26 0.00 2.91 0.02 -1.26 -1.51 135.00 136.06 3hr5 s PRO 14 Ca 0.79 2.32 0.00 0.00 0.02 0.00 0.00 61.00 64.13 3hr5 s PRO 14 Cb -0.32 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.11 3hr5 s PRO 14 CO 0.35 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 3hr5 n GLY 15 N 1.89 2.37 3.21 0.52 0.00 0.26 -4.94 105.19 108.49 3hr5 n GLY 15 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.63 3.18 -0.02 0.00 -0.57 -3.95 105.19 100.20 3hr5 n GLY 16 Ca 0.00 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 3hr5 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hr5 s SER 17 N -4.94 1.60 0.02 1.61 0.01 -1.26 -2.32 113.70 108.42 3hr5 s SER 17 Ca 0.63 -0.74 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 3hr5 s SER 17 Cb -0.02 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 3hr5 s SER 17 CO 0.45 -0.18 0.02 -0.76 0.41 0.00 0.00 173.24 173.18 3hr5 s LEU 18 N -2.18 2.09 -0.28 2.44 1.43 -0.81 -5.01 118.68 116.36 3hr5 s LEU 18 Ca 0.03 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 3hr5 s LEU 18 Cb -0.06 0.28 0.04 0.00 0.03 0.00 0.00 46.19 46.48 3hr5 s LEU 18 CO 0.01 -0.37 -0.03 -0.60 0.23 0.00 0.00 176.35 175.59 3hr5 s ARG 19 N -1.88 2.61 0.25 1.70 3.52 -1.26 -0.87 118.95 123.02 3hr5 s ARG 19 Ca -0.12 -1.13 -0.27 0.00 -0.13 0.00 0.00 55.73 54.08 3hr5 s ARG 19 Cb -0.06 -3.09 -0.09 0.00 -1.56 0.00 0.00 34.95 30.15 3hr5 s ARG 19 CO -0.02 -0.52 0.89 -0.51 -0.81 0.00 0.00 175.30 174.33 3hr5 s LEU 20 N 1.28 4.53 -0.04 -0.88 1.02 -0.22 -4.61 118.68 119.77 3hr5 s LEU 20 Ca -0.03 1.82 0.05 0.00 0.02 0.00 0.00 54.13 55.99 3hr5 s LEU 20 Cb -0.18 -3.65 -0.01 0.00 0.02 0.00 0.00 46.19 42.37 3hr5 s LEU 20 CO -0.03 0.10 -0.19 -0.44 0.02 0.00 0.00 176.35 175.81 3hr5 s SER 21 N -1.33 2.35 -0.27 2.29 0.01 -0.02 -1.22 113.70 115.51 3hr5 s SER 21 Ca 0.43 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.32 3hr5 s SER 21 Cb -0.23 -0.56 0.07 0.00 0.21 0.00 0.00 66.02 65.52 3hr5 s SER 21 CO 0.28 0.19 -0.04 0.00 0.41 0.00 0.00 173.24 174.08 3hr5 s ALA 23 N 1.23 3.14 0.51 0.00 0.00 -0.12 -1.11 121.76 125.42 3hr5 s ALA 23 Ca -0.02 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 3hr5 s ALA 23 Cb -0.19 -3.77 -0.08 0.00 0.00 0.00 0.00 23.12 19.08 3hr5 s ALA 23 CO -0.08 -2.40 0.99 0.00 0.00 0.00 0.00 175.76 174.27 3hr5 s ALA 24 N 4.06 3.02 -0.27 0.00 0.00 -0.29 -2.20 121.76 126.09 3hr5 s ALA 24 Ca 0.32 0.24 -0.25 0.00 0.00 0.00 0.00 51.96 52.28 3hr5 s ALA 24 Cb -0.12 -3.14 0.10 0.00 0.00 0.00 0.00 23.12 19.96 3hr5 s ALA 24 CO 0.20 -0.26 0.87 0.45 0.00 0.00 0.00 175.76 177.03 3hr5 s SER 25 N -2.90 -0.60 0.00 0.00 0.15 -0.47 -4.90 113.70 104.98 3hr5 s SER 25 Ca 0.60 1.14 0.00 0.00 0.70 0.00 0.00 55.95 58.39 3hr5 s SER 25 Cb -0.11 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 3hr5 s SER 25 CO 0.29 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.13 3hr5 n GLY 26 N 2.40 0.41 3.74 9.45 0.00 -1.26 -1.04 105.19 118.90 3hr5 n GLY 26 Ca -0.13 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 0.25 -0.69 1.61 -0.71 -1.26 -4.19 117.98 110.99 3hr5 s PHE 27 Ca 0.00 -0.78 -0.26 0.00 -1.04 0.00 0.00 56.93 54.85 3hr5 s PHE 27 Cb 0.00 0.59 0.04 0.00 -1.21 0.00 0.00 43.02 42.44 3hr5 s PHE 27 CO 0.00 -1.38 1.16 0.99 -1.34 0.00 0.00 175.22 174.65 3hr5 s THR 28 N -2.91 3.97 0.26 -4.49 2.01 -1.26 -4.89 115.64 108.33 3hr5 s THR 28 Ca 0.18 0.24 -0.04 0.00 0.31 0.00 0.00 61.69 62.38 3hr5 s THR 28 Cb -0.04 -4.81 0.26 0.00 0.01 0.00 0.00 72.50 67.93 3hr5 s THR 28 CO 0.12 -1.64 1.92 0.15 -0.69 0.00 0.00 174.62 174.48 3hr5 h PHE 29 N 9.80 1.22 0.00 4.92 3.57 -1.95 -2.21 116.94 132.29 3hr5 h PHE 29 Ca -0.28 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3hr5 h PHE 29 Cb 1.06 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3hr5 h PHE 29 CO 1.06 0.72 0.00 -1.13 -2.23 0.00 0.00 178.31 176.73 3hr5 n SER 30 N -4.42 0.53 0.18 0.41 3.41 -1.26 -2.71 113.62 109.76 3hr5 n SER 30 Ca 0.13 0.65 0.10 0.00 -0.26 0.00 0.00 58.87 59.49 3hr5 n SER 30 Cb 0.07 -0.75 0.11 0.00 -0.26 0.00 0.00 64.21 63.38 3hr5 n SER 30 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hr5 h ASP 31 N 0.00 0.00 -3.33 4.04 3.32 -1.69 -3.43 116.42 115.34 3hr5 h ASP 31 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 3hr5 h ASP 31 Cb 0.29 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.66 3hr5 h ASP 31 CO 0.00 0.08 -0.79 -0.31 -1.72 0.00 0.00 179.24 176.50 3hr5 s TYR 32 N -3.20 2.46 0.49 4.55 1.51 -1.10 -4.78 117.35 117.28 3hr5 s TYR 32 Ca 0.05 -0.30 -0.14 0.00 -1.01 0.00 0.00 57.07 55.67 3hr5 s TYR 32 Cb 0.06 -1.24 -0.07 0.00 -0.11 0.00 0.00 41.96 40.60 3hr5 s TYR 32 CO 0.71 0.46 0.93 0.20 -1.11 0.00 0.00 175.55 176.74 3hr5 s GLY 33 N -2.54 1.98 -0.04 0.71 0.00 -1.25 -3.43 107.32 102.75 3hr5 s GLY 33 Ca 0.21 0.04 0.04 0.00 0.00 0.00 0.00 44.72 45.00 3hr5 s GLY 33 CO 0.11 0.29 -0.15 -0.42 0.00 0.00 0.00 173.10 172.93 3hr5 s ILE 34 N -2.61 1.30 0.16 0.90 -1.09 -0.27 -1.49 121.20 118.10 3hr5 s ILE 34 Ca 0.56 -0.64 0.06 0.00 -2.23 0.00 0.00 60.65 58.41 3hr5 s ILE 34 Cb -0.10 -1.13 -0.04 0.00 -1.58 0.00 0.00 42.46 39.61 3hr5 s ILE 34 CO 0.34 0.38 0.04 0.00 -1.23 0.00 0.00 174.94 174.46 3hr5 s ALA 35 N 0.13 3.31 -0.09 9.38 0.00 0.11 -1.60 121.76 133.01 3hr5 s ALA 35 Ca -0.05 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 3hr5 s ALA 35 Cb -0.12 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 3hr5 s ALA 35 CO 0.02 0.51 -0.04 -1.58 0.00 0.00 0.00 175.76 174.68 3hr5 s TRP 36 N -1.69 3.04 -0.01 0.00 0.52 0.12 -0.64 118.94 120.28 3hr5 s TRP 36 Ca 0.28 0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.46 3hr5 s TRP 36 Cb -0.10 -1.77 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 3hr5 s TRP 36 CO 0.20 0.34 -0.02 0.08 0.02 0.00 0.00 176.95 177.57 3hr5 s VAL 37 N -0.69 0.21 0.15 4.03 1.01 0.02 -1.37 120.40 123.76 3hr5 s VAL 37 Ca 0.11 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.13 3hr5 s VAL 37 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 3hr5 s VAL 37 CO 0.02 0.09 -0.22 0.00 0.00 0.00 0.00 175.10 174.99 3hr5 s ARG 38 N 0.30 1.32 -0.24 2.72 1.70 0.14 0.11 118.95 125.00 3hr5 s ARG 38 Ca -0.03 -1.38 -0.04 0.00 -0.47 0.00 0.00 55.73 53.82 3hr5 s ARG 38 Cb -0.05 -1.56 0.08 0.00 -0.57 0.00 0.00 34.95 32.85 3hr5 s ARG 38 CO -0.01 0.34 0.10 -1.14 -1.08 0.00 0.00 175.30 173.52 3hr5 s GLN 39 N -2.46 0.27 0.56 3.89 0.74 0.27 -0.40 119.66 122.53 3hr5 s GLN 39 Ca 0.15 -0.44 -0.21 0.00 0.05 0.00 0.00 55.36 54.91 3hr5 s GLN 39 Cb -0.08 -1.59 -0.04 0.00 1.10 0.00 0.00 33.01 32.40 3hr5 s GLN 39 CO 0.07 -0.86 1.32 0.00 -0.55 0.00 0.00 175.29 175.27 3hr5 s ALA 40 N 2.02 2.72 -0.07 1.58 0.00 -1.26 -0.95 121.76 125.80 3hr5 s ALA 40 Ca 0.06 1.25 -0.36 0.00 0.00 0.00 0.00 51.96 52.90 3hr5 s ALA 40 Cb -0.16 -3.54 -0.14 0.00 0.00 0.00 0.00 23.12 19.28 3hr5 s ALA 40 CO -0.23 -1.34 1.74 -2.30 0.00 0.00 0.00 175.76 173.63 3hr5 n PRO 41 N -1.22 1.82 -1.02 0.00 -0.02 -1.26 -1.32 135.00 131.99 3hr5 n PRO 41 Ca 0.12 0.66 -0.01 0.00 -2.02 0.00 0.00 63.50 62.25 3hr5 n PRO 41 Cb 0.46 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3hr5 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hr5 n GLY 42 N 3.98 0.47 3.77 -1.23 0.00 -1.26 -5.01 105.19 105.91 3hr5 n GLY 42 Ca 0.22 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3hr5 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hr5 s LYS 43 N -0.72 2.20 0.89 1.61 3.01 -0.43 -5.16 119.74 121.14 3hr5 s LYS 43 Ca 0.00 -2.39 -0.15 0.00 -1.01 0.00 0.00 55.97 52.42 3hr5 s LYS 43 Cb 0.00 -1.56 0.21 0.00 -1.01 0.00 0.00 37.83 35.47 3hr5 s LYS 43 CO 0.00 -0.38 1.03 0.41 0.51 0.00 0.00 175.35 176.92 3hr5 n GLY 44 N -1.29 -1.93 3.74 -3.33 0.00 -1.26 -4.75 105.19 96.37 3hr5 n GLY 44 Ca -0.18 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 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 4.37 -0.17 0.99 1.43 -1.26 -4.33 118.68 119.71 3hr5 s LEU 45 Ca 0.61 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 3hr5 s LEU 45 Cb -0.03 -2.96 0.04 0.00 0.03 0.00 0.00 46.19 43.26 3hr5 s LEU 45 CO 0.44 0.02 -0.10 -0.70 0.23 0.00 0.00 176.35 176.25 3hr5 s GLU 46 N 0.21 1.91 0.37 1.70 2.12 0.46 -4.99 118.70 120.48 3hr5 s GLU 46 Ca 0.33 -0.65 -0.27 0.00 0.36 0.00 0.00 54.97 54.74 3hr5 s GLU 46 Cb -0.18 -2.18 -0.09 0.00 0.26 0.00 0.00 34.13 31.94 3hr5 s GLU 46 CO 0.17 -0.37 1.26 -0.46 -0.54 0.00 0.00 175.26 175.32 3hr5 s TRP 47 N 1.50 2.99 0.00 5.30 -0.00 -1.26 0.28 118.94 127.75 3hr5 s TRP 47 Ca 0.01 1.46 0.00 0.00 -0.00 0.00 0.00 56.10 57.58 3hr5 s TRP 47 Cb -0.15 -3.58 0.00 0.00 -0.00 0.00 0.00 33.47 29.74 3hr5 s TRP 47 CO -0.09 -1.74 0.00 1.33 -0.00 0.00 0.00 176.95 176.45 3hr5 n VAL 48 N 0.39 0.00 -3.61 5.86 0.24 -0.47 -4.69 118.33 116.04 3hr5 n VAL 48 Ca 0.02 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.18 3hr5 n VAL 48 Cb 0.44 -0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 3hr5 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hr5 s ALA 49 N -1.65 -1.28 -0.02 2.33 0.00 -1.09 -0.61 121.76 119.44 3hr5 s ALA 49 Ca 0.00 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.66 3hr5 s ALA 49 Cb 0.00 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.34 3hr5 s ALA 49 CO 0.00 -0.40 -0.02 0.12 0.00 0.00 0.00 175.76 175.46 3hr5 s PHE 50 N -1.85 0.38 -0.11 0.00 5.36 -0.03 0.13 117.98 121.86 3hr5 s PHE 50 Ca -0.09 -0.05 0.04 0.00 -0.96 0.00 0.00 56.93 55.87 3hr5 s PHE 50 Cb -0.02 -0.38 0.00 0.00 -0.34 0.00 0.00 43.02 42.29 3hr5 s PHE 50 CO 0.03 -0.09 -0.23 -1.50 -1.46 0.00 0.00 175.22 171.97 3hr5 s ILE 51 N 0.62 2.00 0.65 3.12 2.07 -0.63 -1.19 121.20 127.85 3hr5 s ILE 51 Ca -0.06 -0.98 -0.14 0.00 -1.41 0.00 0.00 60.65 58.06 3hr5 s ILE 51 Cb -0.10 -1.75 -0.01 0.00 0.13 0.00 0.00 42.46 40.74 3hr5 s ILE 51 CO -0.01 0.55 1.07 -0.94 -1.91 0.00 0.00 174.94 173.70 3hr5 s SER 52 N 0.48 5.42 0.00 4.50 1.04 -0.63 -1.12 113.70 123.39 3hr5 s SER 52 Ca -0.16 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.07 3hr5 s SER 52 Cb -0.17 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.42 3hr5 s SER 52 CO 0.06 -1.41 0.00 -0.67 0.98 0.00 0.00 173.24 172.20 3hr5 n ASP 53 N -2.55 0.00 -0.19 7.02 2.03 -1.22 -0.39 116.55 121.25 3hr5 n ASP 53 Ca 0.09 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.46 3hr5 n ASP 53 Cb 0.53 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 41.04 3hr5 n ASP 53 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hr5 n LEU 54 N 0.00 2.48 0.00 -2.67 4.77 -1.26 -4.73 117.00 115.59 3hr5 n LEU 54 Ca 0.00 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.28 3hr5 n LEU 54 Cb 0.00 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3hr5 n LEU 54 CO 0.00 0.65 0.00 0.00 -1.33 0.00 0.00 177.39 176.71 3hr5 n ALA 55 N -0.92 0.00 -0.07 -1.18 0.00 0.48 -4.95 120.51 113.87 3hr5 n ALA 55 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 3hr5 n ALA 55 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 0.35 -3.60 0.00 0.99 -1.94 -3.42 116.97 109.34 3hr5 h TYR 56 Ca 0.00 -0.01 -0.68 0.00 2.00 0.00 0.00 58.73 60.04 3hr5 h TYR 56 Cb 0.09 -0.11 -0.18 0.00 1.00 0.00 0.00 36.73 37.53 3hr5 h TYR 56 CO 0.06 0.30 -0.69 0.95 -0.00 0.00 0.00 178.16 178.78 3hr5 s THR 57 N -5.86 3.77 -0.04 -2.88 -4.23 -1.26 -5.03 115.64 100.11 3hr5 s THR 57 Ca -0.13 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 3hr5 s THR 57 Cb 0.08 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.37 3hr5 s THR 57 CO 0.71 0.52 -0.01 -0.63 -0.54 0.00 0.00 174.62 174.68 3hr5 s ILE 58 N -0.89 0.27 -0.05 2.99 1.01 -1.26 -1.61 121.20 121.66 3hr5 s ILE 58 Ca 0.14 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.91 3hr5 s ILE 58 Cb -0.11 -0.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.98 3hr5 s ILE 58 CO 0.04 0.18 -0.22 -0.31 0.00 0.00 0.00 174.94 174.63 3hr5 s TYR 59 N 1.15 2.50 0.14 3.97 4.12 -0.33 -4.98 117.35 123.91 3hr5 s TYR 59 Ca -0.08 -0.47 0.11 0.00 0.02 0.00 0.00 57.07 56.65 3hr5 s TYR 59 Cb -0.14 -1.59 -0.04 0.00 -1.52 0.00 0.00 41.96 38.67 3hr5 s TYR 59 CO -0.02 -0.05 -0.26 0.71 0.02 0.00 0.00 175.55 175.95 3hr5 s TYR 60 N -0.44 2.32 0.26 2.71 2.02 -1.26 -0.85 117.35 122.11 3hr5 s TYR 60 Ca 0.05 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.08 3hr5 s TYR 60 Cb -0.12 -1.24 -0.09 0.00 -0.40 0.00 0.00 41.96 40.11 3hr5 s TYR 60 CO 0.01 0.36 1.15 0.00 -1.57 0.00 0.00 175.55 175.50 3hr5 s ALA 61 N -1.12 3.43 0.41 3.71 0.00 0.22 -4.90 121.76 123.51 3hr5 s ALA 61 Ca 0.15 0.96 0.20 0.00 0.00 0.00 0.00 51.96 53.27 3hr5 s ALA 61 Cb -0.10 -3.37 1.16 0.00 0.00 0.00 0.00 23.12 20.81 3hr5 s ALA 61 CO 0.07 -0.28 1.76 -0.44 0.00 0.00 0.00 175.76 176.86 3hr5 h ASP 62 N 4.18 0.40 0.10 0.00 5.19 -1.95 0.66 116.42 125.01 3hr5 h ASP 62 Ca -0.46 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3hr5 h ASP 62 Cb 1.21 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.75 3hr5 h ASP 62 CO 0.69 0.05 0.00 1.07 -3.12 0.00 0.00 179.24 177.93 3hr5 n THR 63 N -4.62 1.10 0.00 0.35 5.66 -1.26 -3.41 114.28 112.11 3hr5 n THR 63 Ca 0.27 0.64 0.00 0.00 -3.05 0.00 0.00 64.05 61.91 3hr5 n THR 63 Cb 0.95 -1.63 0.00 0.00 -1.55 0.00 0.00 70.33 68.10 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 -2.17 0.00 -1.76 1.08 0.31 0.08 -5.05 118.33 110.81 3hr5 n VAL 64 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.91 3hr5 n VAL 64 Cb 0.06 -0.02 -0.01 0.00 -0.91 0.00 0.00 33.84 32.97 3hr5 n VAL 64 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 3hr5 n THR 65 N -0.89 1.64 0.00 2.52 5.66 -0.35 -2.21 114.28 120.64 3hr5 n THR 65 Ca 0.00 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 3hr5 n THR 65 Cb 0.08 -1.97 0.00 0.00 -1.55 0.00 0.00 70.33 66.90 3hr5 n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hr5 n GLY 66 N 1.09 2.87 0.13 1.09 0.00 -1.26 -4.78 105.19 104.32 3hr5 n GLY 66 Ca 0.04 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 0.66 -3.76 1.61 1.74 -0.94 -4.96 116.66 111.01 3hr5 n ARG 67 Ca 0.00 0.12 -0.37 0.00 -0.77 0.00 0.00 57.85 56.84 3hr5 n ARG 67 Cb 0.00 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 29.85 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 -2.52 3.58 -0.13 -1.55 0.40 -0.95 -2.09 117.98 114.72 3hr5 s PHE 68 Ca -0.31 0.58 0.01 0.00 -0.60 0.00 0.00 56.93 56.62 3hr5 s PHE 68 Cb 0.08 -2.07 0.02 0.00 0.51 0.00 0.00 43.02 41.56 3hr5 s PHE 68 CO 0.64 0.60 -0.17 0.99 0.70 0.00 0.00 175.22 177.98 3hr5 s THR 69 N -0.65 1.66 -0.12 0.64 2.01 0.35 -4.85 115.64 114.67 3hr5 s THR 69 Ca 0.15 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 3hr5 s THR 69 Cb -0.13 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 3hr5 s THR 69 CO 0.05 0.47 0.24 -0.51 -0.69 0.00 0.00 174.62 174.17 3hr5 s ILE 70 N 1.09 5.34 0.11 1.82 2.07 -1.26 -0.45 121.20 129.92 3hr5 s ILE 70 Ca -0.03 0.43 -0.10 0.00 -1.41 0.00 0.00 60.65 59.54 3hr5 s ILE 70 Cb -0.14 -3.54 0.01 0.00 0.13 0.00 0.00 42.46 38.91 3hr5 s ILE 70 CO -0.05 0.52 0.26 -0.94 -1.91 0.00 0.00 174.94 172.82 3hr5 s SER 71 N -0.39 0.03 -0.01 4.50 1.04 -0.69 -5.01 113.70 113.17 3hr5 s SER 71 Ca 0.16 -0.62 -0.07 0.00 0.48 0.00 0.00 55.95 55.90 3hr5 s SER 71 Cb -0.13 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3hr5 s SER 71 CO 0.05 -0.79 0.14 0.00 0.98 0.00 0.00 173.24 173.62 3hr5 s ARG 72 N -3.87 0.45 -0.38 4.02 1.70 -1.26 -0.34 118.95 119.26 3hr5 s ARG 72 Ca 0.07 -0.32 0.04 0.00 -0.47 0.00 0.00 55.73 55.05 3hr5 s ARG 72 Cb 0.04 0.19 0.11 0.00 -0.57 0.00 0.00 34.95 34.71 3hr5 s ARG 72 CO -0.09 -0.10 0.10 0.34 -1.08 0.00 0.00 175.30 174.47 3hr5 s ASP 73 N -1.19 4.61 0.59 -2.89 -1.08 -0.27 -4.99 116.67 111.45 3hr5 s ASP 73 Ca -0.13 -2.34 0.28 0.00 -0.52 0.00 0.00 52.55 49.84 3hr5 s ASP 73 Cb -0.07 -1.59 1.73 0.00 -1.46 0.00 0.00 42.92 41.53 3hr5 s ASP 73 CO 0.01 -0.34 2.19 0.78 0.52 0.00 0.00 175.17 178.33 3hr5 h ASN 74 N 7.36 0.00 1.26 -0.34 2.35 -1.97 0.15 115.58 124.39 3hr5 h ASN 74 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3hr5 h ASN 74 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3hr5 h ASN 74 CO 0.56 0.00 -0.22 -1.54 -1.65 0.00 0.00 177.43 174.58 3hr5 n SER 75 N -3.88 0.77 -0.00 5.81 3.41 -1.26 -3.18 113.62 115.30 3hr5 n SER 75 Ca -0.01 0.41 0.07 0.00 -0.26 0.00 0.00 58.87 59.08 3hr5 n SER 75 Cb 0.18 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 3hr5 n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hr5 n LYS 76 N -2.20 2.09 -3.76 4.33 5.02 -0.14 -5.00 118.16 118.51 3hr5 n LYS 76 Ca 0.05 -0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.06 3hr5 n LYS 76 Cb 0.43 -1.19 0.05 0.00 -0.02 0.00 0.00 35.03 34.30 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 -1.39 -4.91 -4.15 4.39 3.02 -0.16 -4.89 115.26 107.17 3hr5 n ASN 77 Ca 0.02 -0.69 -0.21 0.00 -0.03 0.00 0.00 54.58 53.67 3hr5 n ASN 77 Cb 0.24 -4.39 -0.14 0.00 -0.61 0.00 0.00 39.78 34.88 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 -3.34 1.19 0.13 3.41 2.01 -1.08 -1.13 115.64 116.82 3hr5 s THR 78 Ca 0.54 -0.97 0.09 0.00 0.31 0.00 0.00 61.69 61.66 3hr5 s THR 78 Cb -0.26 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 3hr5 s THR 78 CO 0.79 0.08 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.40 3hr5 s LEU 79 N -1.02 2.71 0.05 4.42 2.96 -0.27 -1.11 118.68 126.42 3hr5 s LEU 79 Ca 0.03 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 3hr5 s LEU 79 Cb -0.08 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3hr5 s LEU 79 CO 0.01 0.17 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.78 3hr5 s TYR 80 N -1.21 1.00 -0.23 5.38 2.02 0.54 -0.60 117.35 124.25 3hr5 s TYR 80 Ca 0.19 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.45 3hr5 s TYR 80 Cb -0.10 -0.58 0.07 0.00 -0.40 0.00 0.00 41.96 40.94 3hr5 s TYR 80 CO 0.10 0.00 0.04 -1.17 -1.57 0.00 0.00 175.55 172.96 3hr5 s LEU 81 N -1.41 1.61 -0.24 -1.29 2.96 -0.36 -1.71 118.68 118.25 3hr5 s LEU 81 Ca -0.03 -1.07 -0.21 0.00 -0.22 0.00 0.00 54.13 52.60 3hr5 s LEU 81 Cb -0.09 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 3hr5 s LEU 81 CO 0.01 -0.32 0.66 -1.58 -1.32 0.00 0.00 176.35 173.80 3hr5 s GLN 82 N 1.74 4.15 -0.26 1.98 2.00 0.40 -1.05 119.66 128.61 3hr5 s GLN 82 Ca 0.01 0.63 -0.02 0.00 -2.00 0.00 0.00 55.36 53.98 3hr5 s GLN 82 Cb -0.17 -3.63 0.03 0.00 0.80 0.00 0.00 33.01 30.03 3hr5 s GLN 82 CO -0.12 -0.39 -0.03 -1.64 -0.50 0.00 0.00 175.29 172.61 3hr5 s MET 83 N 2.42 2.81 0.30 1.67 -1.94 -0.05 -0.50 119.30 124.01 3hr5 s MET 83 Ca 0.28 -1.00 0.08 0.00 -1.71 0.00 0.00 55.69 53.34 3hr5 s MET 83 Cb -0.16 -3.07 -0.03 0.00 2.01 0.00 0.00 34.83 33.58 3hr5 s MET 83 CO 0.09 -0.44 0.21 -0.80 -0.01 0.00 0.00 175.02 174.07 3hr5 s ASN 84 N 1.34 5.25 -1.38 3.03 0.01 -0.89 -1.92 114.94 120.38 3hr5 s ASN 84 Ca -0.00 -0.44 -0.02 0.00 -0.71 0.00 0.00 52.86 51.69 3hr5 s ASN 84 Cb -0.17 -1.10 0.00 0.00 0.41 0.00 0.00 41.25 40.38 3hr5 s ASN 84 CO -0.03 -0.19 0.44 -1.20 -1.51 0.00 0.00 177.10 174.61 3hr5 n SER 85 N -1.23 -0.68 -4.69 -1.22 7.64 -1.20 -4.77 113.62 107.48 3hr5 n SER 85 Ca -0.05 -1.01 -0.42 0.00 1.01 0.00 0.00 58.87 58.40 3hr5 n SER 85 Cb 0.59 -3.05 -0.03 0.00 -1.01 0.00 0.00 64.21 60.71 3hr5 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hr5 s LEU 86 N -6.94 4.34 0.46 -3.43 1.43 -0.98 -4.67 118.68 108.88 3hr5 s LEU 86 Ca 0.04 2.28 0.02 0.00 -1.03 0.00 0.00 54.13 55.44 3hr5 s LEU 86 Cb -0.02 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.65 3hr5 s LEU 86 CO 0.89 -0.81 0.66 -0.13 0.23 0.00 0.00 176.35 177.19 3hr5 s ARG 87 N 2.66 2.90 0.56 1.70 3.00 -1.26 -0.57 118.95 127.93 3hr5 s ARG 87 Ca 0.69 -0.73 0.25 0.00 0.00 0.00 0.00 55.73 55.94 3hr5 s ARG 87 Cb -0.35 -2.60 1.50 0.00 0.00 0.00 0.00 34.95 33.50 3hr5 s ARG 87 CO 0.29 -0.35 2.10 0.00 0.00 0.00 0.00 175.30 177.34 3hr5 h ALA 88 N 0.40 2.02 0.00 2.13 0.00 -1.96 -2.09 119.26 119.78 3hr5 h ALA 88 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hr5 h ALA 88 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hr5 h ALA 88 CO 0.54 -0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.88 3hr5 n GLU 89 N -4.15 0.05 0.02 0.00 4.71 -1.26 -2.39 120.64 117.61 3hr5 n GLU 89 Ca 0.02 0.30 0.11 0.00 -0.01 0.00 0.00 57.16 57.58 3hr5 n GLU 89 Cb 0.32 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.28 3hr5 n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3hr5 n ASP 90 N -1.43 0.64 -4.66 1.62 8.00 -0.78 -4.93 116.55 115.02 3hr5 n ASP 90 Ca 0.03 -0.33 -0.52 0.00 0.71 0.00 0.00 54.79 54.67 3hr5 n ASP 90 Cb 0.09 0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 41.91 3hr5 n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hr5 n THR 91 N -1.84 0.41 -3.61 -3.53 -1.04 -1.01 -4.89 114.28 98.77 3hr5 n THR 91 Ca 0.03 -0.11 -0.04 0.00 -2.04 0.00 0.00 64.05 61.88 3hr5 n THR 91 Cb 0.41 -1.59 -0.03 0.00 -1.82 0.00 0.00 70.33 67.30 3hr5 n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hr5 s ALA 92 N 4.46 -2.08 -0.17 2.41 0.00 -0.78 -4.20 121.76 121.40 3hr5 s ALA 92 Ca 0.98 1.71 -0.29 0.00 0.00 0.00 0.00 51.96 54.36 3hr5 s ALA 92 Cb -0.87 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 21.60 3hr5 s ALA 92 CO 0.57 -0.44 1.11 0.08 0.00 0.00 0.00 175.76 177.08 3hr5 s VAL 93 N -1.78 4.55 -0.29 0.00 1.01 -0.13 -1.22 120.40 122.54 3hr5 s VAL 93 Ca 0.08 1.86 -0.11 0.00 0.00 0.00 0.00 61.98 63.81 3hr5 s VAL 93 Cb -0.01 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3hr5 s VAL 93 CO -0.05 -0.12 0.18 -0.31 0.00 0.00 0.00 175.10 174.81 3hr5 s TYR 94 N 2.96 3.20 -0.11 5.22 1.51 -0.42 -0.57 117.35 129.14 3hr5 s TYR 94 Ca 0.49 -0.05 -0.06 0.00 -1.01 0.00 0.00 57.07 56.44 3hr5 s TYR 94 Cb -0.18 -2.38 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 3hr5 s TYR 94 CO 0.12 -0.24 0.12 0.71 -1.11 0.00 0.00 175.55 175.15 3hr5 s TYR 95 N 1.73 3.52 -0.25 2.71 2.02 0.31 -2.00 117.35 125.38 3hr5 s TYR 95 Ca 0.07 0.46 -0.09 0.00 -0.37 0.00 0.00 57.07 57.13 3hr5 s TYR 95 Cb -0.16 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 3hr5 s TYR 95 CO 0.10 0.69 0.12 0.00 -1.57 0.00 0.00 175.55 174.88 3hr5 s ALA 97 N 1.44 1.29 0.26 0.00 0.00 0.19 -0.91 121.76 124.02 3hr5 s ALA 97 Ca 0.06 -0.44 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 3hr5 s ALA 97 Cb -0.15 -0.57 -0.09 0.00 0.00 0.00 0.00 23.12 22.31 3hr5 s ALA 97 CO 0.06 0.13 0.93 -0.98 0.00 0.00 0.00 175.76 175.90 3hr5 s ARG 98 N 0.62 4.75 -0.20 0.00 1.04 -0.31 0.05 118.95 124.91 3hr5 s ARG 98 Ca -0.14 1.42 -0.06 0.00 -1.04 0.00 0.00 55.73 55.90 3hr5 s ARG 98 Cb -0.16 -3.12 -0.03 0.00 -2.04 0.00 0.00 34.95 29.60 3hr5 s ARG 98 CO 0.04 0.44 0.03 0.34 -0.04 0.00 0.00 175.30 176.12 3hr5 s ASP 99 N -1.32 5.13 0.64 -2.89 2.15 -0.55 -1.54 116.67 118.28 3hr5 s ASP 99 Ca 0.44 -0.12 0.31 0.00 0.43 0.00 0.00 52.55 53.61 3hr5 s ASP 99 Cb -0.23 -1.89 1.68 0.00 -0.30 0.00 0.00 42.92 42.18 3hr5 s ASP 99 CO 0.29 0.08 1.99 0.78 -0.17 0.00 0.00 175.17 178.14 3hr5 h ASN 100 N 7.40 0.00 0.00 -0.34 2.35 -0.68 -3.33 115.58 120.97 3hr5 h ASN 100 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3hr5 h ASN 100 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3hr5 h ASN 100 CO 0.63 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 177.20 3hr5 n TRP 101 N -3.23 0.00 0.00 1.19 7.02 -1.26 -4.81 117.44 116.35 3hr5 n TRP 101 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 3hr5 n TRP 101 Cb 0.40 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 3hr5 n TRP 101 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 3hr5 n ASP 102 N 0.00 3.30 -3.85 -0.99 5.68 -1.26 -5.13 116.55 114.29 3hr5 n ASP 102 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.17 3hr5 n ASP 102 Cb 0.00 0.22 -0.10 0.00 -1.14 0.00 0.00 41.12 40.10 3hr5 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hr5 s ALA 103 N -1.71 -0.41 -0.52 2.12 0.00 -1.26 -5.10 121.76 114.88 3hr5 s ALA 103 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 51.96 51.65 3hr5 s ALA 103 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 3hr5 s ALA 103 CO 0.00 -0.21 1.61 -1.64 0.00 0.00 0.00 175.76 175.52 3hr5 s MET 104 N -1.33 3.14 -0.16 0.00 -1.94 -1.26 0.07 119.30 117.82 3hr5 s MET 104 Ca -0.14 0.70 0.16 0.00 -1.71 0.00 0.00 55.69 54.70 3hr5 s MET 104 Cb -0.07 -4.21 -0.23 0.00 2.01 0.00 0.00 34.83 32.34 3hr5 s MET 104 CO 0.02 -2.12 0.10 -0.40 -0.01 0.00 0.00 175.02 172.60 3hr5 n ASP 105 N 10.54 0.61 -3.93 3.03 5.75 -0.59 -4.89 116.55 127.08 3hr5 n ASP 105 Ca 0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.66 3hr5 n ASP 105 Cb 0.49 1.03 -0.16 0.00 -1.03 0.00 0.00 41.12 41.45 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 -2.52 1.88 0.10 2.11 2.02 -1.25 -5.02 117.35 114.67 3hr5 s TYR 106 Ca -0.09 -1.16 0.04 0.00 -0.37 0.00 0.00 57.07 55.50 3hr5 s TYR 106 Cb 0.06 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 3hr5 s TYR 106 CO 0.74 -0.64 0.04 -1.58 -1.57 0.00 0.00 175.55 172.54 3hr5 s TRP 107 N 1.58 3.07 0.78 2.71 0.52 -1.26 -1.16 118.94 125.17 3hr5 s TRP 107 Ca 0.01 0.01 -0.12 0.00 0.02 0.00 0.00 56.10 56.02 3hr5 s TRP 107 Cb -0.15 -1.56 0.06 0.00 -1.15 0.00 0.00 33.47 30.67 3hr5 s TRP 107 CO -0.08 0.50 1.14 0.20 0.02 0.00 0.00 176.95 178.73 3hr5 s GLY 108 N -2.45 1.61 0.52 0.98 0.00 -0.09 -4.74 107.32 103.15 3hr5 s GLY 108 Ca 0.28 -0.49 0.33 0.00 0.00 0.00 0.00 44.72 44.84 3hr5 s GLY 108 CO 0.20 -0.04 1.98 0.06 0.00 0.00 0.00 173.10 175.30 3hr5 h GLN 109 N -0.94 0.00 0.00 2.90 -0.00 -1.91 -3.44 115.11 111.72 3hr5 h GLN 109 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 3hr5 h GLN 109 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 3hr5 h GLN 109 CO 0.64 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.88 3hr5 n GLY 110 N -0.08 2.52 3.10 0.06 0.00 -1.26 -5.03 105.19 104.50 3hr5 n GLY 110 Ca 0.00 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.03 1.48 -0.12 2.61 -1.32 -0.85 -4.83 115.64 110.59 3hr5 s THR 111 Ca 0.00 -0.69 -0.25 0.00 -1.21 0.00 0.00 61.69 59.54 3hr5 s THR 111 Cb 0.00 -1.31 -0.02 0.00 -1.51 0.00 0.00 72.50 69.65 3hr5 s THR 111 CO 0.00 0.43 0.81 -0.22 -2.21 0.00 0.00 174.62 173.43 3hr5 s LEU 112 N 0.50 4.24 -0.30 9.08 2.96 -1.26 -1.30 118.68 132.60 3hr5 s LEU 112 Ca -0.15 1.23 -0.08 0.00 -0.22 0.00 0.00 54.13 54.91 3hr5 s LEU 112 Cb -0.16 -3.22 0.00 0.00 0.50 0.00 0.00 46.19 43.30 3hr5 s LEU 112 CO 0.05 -0.29 0.12 -0.69 -1.32 0.00 0.00 176.35 174.22 3hr5 s VAL 113 N 1.57 4.29 -0.41 1.68 1.01 -0.36 -1.79 120.40 126.39 3hr5 s VAL 113 Ca 0.40 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 3hr5 s VAL 113 Cb -0.17 -3.20 0.08 0.00 0.00 0.00 0.00 36.38 33.09 3hr5 s VAL 113 CO 0.16 0.08 0.25 -0.89 0.00 0.00 0.00 175.10 174.69 3hr5 s THR 114 N 1.56 4.10 -0.48 3.92 2.01 0.78 -1.87 115.64 125.65 3hr5 s THR 114 Ca 0.04 -1.46 -0.26 0.00 0.31 0.00 0.00 61.69 60.31 3hr5 s THR 114 Cb -0.17 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.84 3hr5 s THR 114 CO 0.04 -0.51 1.00 -0.69 -0.69 0.00 0.00 174.62 173.77 3hr5 s VAL 115 N 1.39 4.36 -0.01 3.82 1.01 -1.26 -1.77 120.40 127.94 3hr5 s VAL 115 Ca 0.03 0.82 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 3hr5 s VAL 115 Cb -0.23 -4.51 0.08 0.00 0.00 0.00 0.00 36.38 31.72 3hr5 s VAL 115 CO 0.01 -0.95 0.70 -0.55 0.00 0.00 0.00 175.10 174.31 3hr5 s SER 116 N 2.43 -0.60 0.00 3.32 0.15 0.15 -4.67 113.70 114.48 3hr5 s SER 116 Ca 0.39 0.48 0.24 0.00 0.70 0.00 0.00 55.95 57.76 3hr5 s SER 116 Cb -0.09 0.53 0.31 0.00 -1.71 0.00 0.00 66.02 65.06 3hr5 s SER 116 CO 0.27 -0.68 1.28 -1.54 1.20 0.00 0.00 173.24 173.77 3hr5 n SER 117 N 0.52 0.75 -4.65 5.45 3.41 -1.26 -3.66 113.62 114.19 3hr5 n SER 117 Ca -0.17 -0.57 -0.30 0.00 -0.26 0.00 0.00 58.87 57.56 3hr5 n SER 117 Cb 0.59 0.45 0.18 0.00 -0.26 0.00 0.00 64.21 65.17 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 -2.93 1.12 0.14 7.33 0.00 -1.26 -5.04 121.76 121.12 3hr5 s ALA 118 Ca 0.12 0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.50 3hr5 s ALA 118 Cb 0.17 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3hr5 s ALA 118 CO 0.72 -2.88 -0.02 -1.54 0.00 0.00 0.00 175.76 172.04 3hr5 s SER 119 N -2.76 4.78 0.23 0.00 1.04 -1.26 -5.00 113.70 110.73 3hr5 s SER 119 Ca 0.66 -0.33 -0.32 0.00 0.48 0.00 0.00 55.95 56.44 3hr5 s SER 119 Cb -0.22 -1.04 -0.13 0.00 0.10 0.00 0.00 66.02 64.73 3hr5 s SER 119 CO 0.59 0.13 1.48 0.41 0.98 0.00 0.00 173.24 176.83 3hr5 n THR 120 N 0.21 0.73 -4.00 2.02 -1.04 -1.26 -4.74 114.28 106.20 3hr5 n THR 120 Ca -0.11 -0.18 -0.15 0.00 -2.04 0.00 0.00 64.05 61.57 3hr5 n THR 120 Cb 0.54 -1.57 -0.15 0.00 -1.82 0.00 0.00 70.33 67.33 3hr5 n THR 120 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3hr5 s LYS 121 N -0.10 0.27 0.47 -2.82 2.20 0.11 -4.91 119.74 114.96 3hr5 s LYS 121 Ca 0.70 -0.04 -0.20 0.00 -0.36 0.00 0.00 55.97 56.07 3hr5 s LYS 121 Cb -0.63 -0.33 -0.09 0.00 -1.51 0.00 0.00 37.83 35.27 3hr5 s LYS 121 CO 0.46 -0.01 0.99 0.20 -0.36 0.00 0.00 175.35 176.63 3hr5 s GLY 122 N 0.33 2.34 0.54 5.54 0.00 -1.26 -1.70 107.32 113.10 3hr5 s GLY 122 Ca -0.03 0.41 -0.06 0.00 0.00 0.00 0.00 44.72 45.03 3hr5 s GLY 122 CO -0.01 0.70 0.87 2.56 0.00 0.00 0.00 173.10 177.22 3hr5 s PRO 123 N -3.43 3.31 -0.01 2.90 0.04 -1.26 -4.48 135.00 132.08 3hr5 s PRO 123 Ca 0.63 0.21 -0.04 0.00 0.04 0.00 0.00 61.00 61.84 3hr5 s PRO 123 Cb -0.11 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 3hr5 s PRO 123 CO 0.20 -0.45 0.20 -1.12 0.04 0.00 0.00 177.00 175.87 3hr5 s SER 124 N -4.19 6.39 -0.17 6.66 0.01 -0.44 -4.91 113.70 117.04 3hr5 s SER 124 Ca 0.51 0.39 0.00 0.00 1.31 0.00 0.00 55.95 58.16 3hr5 s SER 124 Cb -0.10 -2.02 0.01 0.00 0.21 0.00 0.00 66.02 64.11 3hr5 s SER 124 CO 0.46 0.27 -0.16 -0.69 0.41 0.00 0.00 173.24 173.53 3hr5 s VAL 125 N -1.30 2.47 -0.01 3.43 1.01 -1.26 -1.50 120.40 123.24 3hr5 s VAL 125 Ca 0.27 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.49 3hr5 s VAL 125 Cb -0.13 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 3hr5 s VAL 125 CO 0.17 0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 175.24 3hr5 s PHE 126 N 1.09 1.72 0.28 5.22 0.08 -0.52 -4.97 117.98 120.88 3hr5 s PHE 126 Ca -0.00 -0.33 -0.28 0.00 0.12 0.00 0.00 56.93 56.44 3hr5 s PHE 126 Cb -0.14 -1.09 -0.09 0.00 -0.57 0.00 0.00 43.02 41.12 3hr5 s PHE 126 CO -0.05 -0.01 0.96 -1.25 -0.10 0.00 0.00 175.22 174.76 3hr5 s PRO 127 N -0.56 4.71 -0.64 0.24 0.04 -1.26 -0.21 135.00 137.32 3hr5 s PRO 127 Ca 0.07 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 3hr5 s PRO 127 Cb -0.08 -3.05 0.17 0.00 0.04 0.00 0.00 34.50 31.58 3hr5 s PRO 127 CO -0.00 0.38 0.53 -0.51 0.04 0.00 0.00 177.00 177.44 3hr5 s LEU 128 N -1.62 6.03 0.43 -3.56 1.43 0.38 -4.82 118.68 116.95 3hr5 s LEU 128 Ca 0.46 -2.39 -0.21 0.00 -1.03 0.00 0.00 54.13 50.95 3hr5 s LEU 128 Cb -0.23 -2.07 -0.11 0.00 0.03 0.00 0.00 46.19 43.81 3hr5 s LEU 128 CO 0.29 -0.60 0.96 0.00 0.23 0.00 0.00 176.35 177.23 3hr5 s ALA 129 N 0.64 3.03 0.11 4.21 0.00 -1.26 -0.94 121.76 127.56 3hr5 s ALA 129 Ca 0.12 0.43 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 3hr5 s ALA 129 Cb -0.20 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 3hr5 s ALA 129 CO -0.04 0.08 1.32 -2.14 0.00 0.00 0.00 175.76 174.98 3hr5 s PRO 130 N -3.11 4.37 0.06 0.00 0.02 -1.26 -4.83 135.00 130.25 3hr5 s PRO 130 Ca 0.62 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3hr5 s PRO 130 Cb -0.10 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.15 3hr5 s PRO 130 CO 0.14 -0.35 0.00 -1.13 -0.33 0.00 0.00 177.00 175.34 3hr5 n SER 131 N 3.73 -3.34 -4.32 2.53 3.41 -1.26 -4.77 113.62 109.59 3hr5 n SER 131 Ca 0.10 0.25 -0.35 0.00 -0.26 0.00 0.00 58.87 58.61 3hr5 n SER 131 Cb 0.44 -0.56 -0.14 0.00 -0.26 0.00 0.00 64.21 63.69 3hr5 n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hr5 s SER 132 N -0.89 4.35 0.00 4.04 1.04 -1.26 -4.84 113.70 116.14 3hr5 s SER 132 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3hr5 s SER 132 Cb 0.00 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.37 3hr5 s SER 132 CO 0.00 -0.02 0.00 1.17 0.98 0.00 0.00 173.24 175.37 3hr5 n LYS 133 N 4.79 0.00 -3.08 4.02 4.81 -1.26 -4.78 118.16 122.66 3hr5 n LYS 133 Ca -0.18 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.86 3hr5 n LYS 133 Cb 0.51 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.51 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 -1.17 6.95 0.41 3.14 0.15 -1.26 -5.07 113.70 116.85 3hr5 s SER 134 Ca 0.00 1.14 0.08 0.00 0.70 0.00 0.00 55.95 57.87 3hr5 s SER 134 Cb 0.00 -2.40 0.01 0.00 -1.71 0.00 0.00 66.02 61.92 3hr5 s SER 134 CO 0.00 -0.10 0.55 0.28 1.20 0.00 0.00 173.24 175.17 3hr5 s THR 135 N 0.76 3.18 0.28 6.45 -1.32 -1.26 -4.80 115.64 118.93 3hr5 s THR 135 Ca 0.36 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 3hr5 s THR 135 Cb -0.17 -3.07 0.00 0.00 -1.51 0.00 0.00 72.50 67.75 3hr5 s THR 135 CO 0.17 -0.03 0.00 -1.54 -2.21 0.00 0.00 174.62 171.02 3hr5 n SER 136 N -1.81 -7.01 0.00 8.08 3.41 -1.26 -5.08 113.62 109.95 3hr5 n SER 136 Ca 0.07 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 3hr5 n SER 136 Cb 0.59 -3.57 0.00 0.00 -0.26 0.00 0.00 64.21 60.96 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 -3.66 -0.09 1.66 5.00 0.00 -1.26 -5.00 105.19 101.84 3hr5 n GLY 137 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.05 3.14 -0.02 0.00 -1.26 -4.82 105.19 102.17 3hr5 n GLY 138 Ca 0.00 0.00 -0.29 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 -2.00 1.71 0.27 2.61 -1.32 -1.26 -2.19 115.64 113.46 3hr5 s THR 139 Ca 0.00 -0.81 0.07 0.00 -1.21 0.00 0.00 61.69 59.74 3hr5 s THR 139 Cb 0.00 -1.51 -0.04 0.00 -1.51 0.00 0.00 72.50 69.45 3hr5 s THR 139 CO 0.00 0.48 0.19 0.00 -2.21 0.00 0.00 174.62 173.09 3hr5 s ALA 140 N 0.52 3.59 -0.02 11.08 0.00 0.12 -4.79 121.76 132.26 3hr5 s ALA 140 Ca -0.16 -1.47 0.05 0.00 0.00 0.00 0.00 51.96 50.38 3hr5 s ALA 140 Cb -0.17 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 3hr5 s ALA 140 CO 0.06 0.22 -0.17 0.00 0.00 0.00 0.00 175.76 175.86 3hr5 s ALA 141 N -2.18 1.45 0.25 0.00 0.00 -1.26 -1.19 121.76 118.83 3hr5 s ALA 141 Ca 0.34 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 3hr5 s ALA 141 Cb -0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3hr5 s ALA 141 CO 0.25 0.33 0.23 -0.48 0.00 0.00 0.00 175.76 176.10 3hr5 s LEU 142 N -0.30 1.18 0.00 0.00 0.05 -0.47 -3.99 118.68 115.14 3hr5 s LEU 142 Ca 0.04 -1.43 -0.00 0.00 0.05 0.00 0.00 54.13 52.79 3hr5 s LEU 142 Cb -0.08 0.68 0.00 0.00 -2.05 0.00 0.00 46.19 44.74 3hr5 s LEU 142 CO -0.00 -0.97 0.02 0.61 -0.55 0.00 0.00 176.35 175.46 3hr5 n GLY 143 N -0.39 0.64 3.08 -3.48 0.00 -0.11 0.03 105.19 104.96 3hr5 n GLY 143 Ca 0.03 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.40 4.28 -0.46 0.00 2.96 0.71 -1.48 118.68 124.30 3hr5 s LEU 145 Ca 0.04 -0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.82 3hr5 s LEU 145 Cb -0.05 -2.42 0.09 0.00 0.50 0.00 0.00 46.19 44.31 3hr5 s LEU 145 CO -0.00 -0.32 0.34 -0.69 -1.32 0.00 0.00 176.35 174.37 3hr5 s VAL 146 N 2.12 4.69 -0.08 1.68 1.01 0.60 -1.43 120.40 128.99 3hr5 s VAL 146 Ca 0.14 -1.34 0.03 0.00 0.00 0.00 0.00 61.98 60.81 3hr5 s VAL 146 Cb -0.16 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 3hr5 s VAL 146 CO 0.11 -0.60 -0.15 -0.75 0.00 0.00 0.00 175.10 173.71 3hr5 s LYS 147 N 1.51 2.79 -0.78 2.72 2.20 -0.56 -0.40 119.74 127.23 3hr5 s LYS 147 Ca 0.04 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 54.90 3hr5 s LYS 147 Cb -0.25 -2.44 -0.05 0.00 -1.51 0.00 0.00 37.83 33.58 3hr5 s LYS 147 CO 0.03 0.47 0.68 -0.25 -0.36 0.00 0.00 175.35 175.92 3hr5 n ASP 148 N 2.75 -5.12 -4.53 1.43 8.00 0.58 -1.33 116.55 118.33 3hr5 n ASP 148 Ca -0.17 -0.51 -0.26 0.00 0.71 0.00 0.00 54.79 54.56 3hr5 n ASP 148 Cb 0.52 -3.94 -0.10 0.00 -0.02 0.00 0.00 41.12 37.59 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 -3.28 2.51 -0.18 1.24 1.13 -0.69 -4.14 117.35 113.94 3hr5 s TYR 149 Ca 0.31 -0.27 -0.13 0.00 -1.41 0.00 0.00 57.07 55.57 3hr5 s TYR 149 Cb -0.04 -1.19 0.05 0.00 -1.10 0.00 0.00 41.96 39.69 3hr5 s TYR 149 CO 0.54 0.56 0.45 0.12 -2.51 0.00 0.00 175.55 174.71 3hr5 s PHE 150 N -1.93 -0.59 0.00 -3.49 2.19 -0.69 0.00 117.98 113.47 3hr5 s PHE 150 Ca 0.26 1.32 0.00 0.00 0.33 0.00 0.00 56.93 58.83 3hr5 s PHE 150 Cb -0.08 0.25 0.00 0.00 -1.31 0.00 0.00 43.02 41.88 3hr5 s PHE 150 CO 0.15 -0.31 0.00 -0.35 1.83 0.00 0.00 175.22 176.54 3hr5 n PRO 151 N 3.63 1.48 -1.17 10.12 -0.04 -1.26 0.04 135.00 147.79 3hr5 n PRO 151 Ca -0.19 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.97 3hr5 n PRO 151 Cb 0.56 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.13 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 -0.53 1.95 0.39 0.54 0.41 -1.26 -4.74 118.70 115.45 3hr5 s GLU 152 Ca 0.00 1.18 0.08 0.00 -0.41 0.00 0.00 54.97 55.81 3hr5 s GLU 152 Cb 0.00 -1.86 -0.02 0.00 -1.78 0.00 0.00 34.13 30.47 3hr5 s GLU 152 CO 0.00 -1.86 0.39 -1.25 -0.49 0.00 0.00 175.26 172.05 3hr5 s PRO 153 N -4.87 2.65 0.02 0.39 0.04 -1.26 -4.95 135.00 127.03 3hr5 s PRO 153 Ca 0.62 -1.41 0.08 0.00 0.04 0.00 0.00 61.00 60.34 3hr5 s PRO 153 Cb -0.18 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 3hr5 s PRO 153 CO 0.56 -0.12 -0.25 0.54 0.04 0.00 0.00 177.00 177.78 3hr5 s VAL 154 N -2.40 2.25 -0.11 -0.36 0.11 -1.26 -4.41 120.40 114.23 3hr5 s VAL 154 Ca 0.47 -1.27 -0.01 0.00 -2.93 0.00 0.00 61.98 58.24 3hr5 s VAL 154 Cb -0.05 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 32.91 3hr5 s VAL 154 CO 0.28 0.42 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.52 3hr5 s THR 155 N -0.77 3.70 -0.07 5.04 2.01 0.17 -4.97 115.64 120.75 3hr5 s THR 155 Ca 0.12 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.69 3hr5 s THR 155 Cb -0.10 -2.57 0.01 0.00 0.01 0.00 0.00 72.50 69.86 3hr5 s THR 155 CO 0.02 0.55 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.68 3hr5 s VAL 156 N -0.17 1.18 0.29 3.82 1.01 -1.26 -0.74 120.40 124.54 3hr5 s VAL 156 Ca 0.02 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3hr5 s VAL 156 Cb -0.13 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 3hr5 s VAL 156 CO 0.03 0.37 0.04 -0.94 0.00 0.00 0.00 175.10 174.59 3hr5 s SER 157 N 0.72 2.18 -0.04 3.32 1.04 -0.69 -4.96 113.70 115.26 3hr5 s SER 157 Ca -0.13 -1.33 0.05 0.00 0.48 0.00 0.00 55.95 55.02 3hr5 s SER 157 Cb -0.16 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 3hr5 s SER 157 CO 0.03 -0.57 -0.21 0.26 0.98 0.00 0.00 173.24 173.73 3hr5 s TRP 158 N -3.34 1.99 -1.54 5.02 0.52 -1.26 -0.07 118.94 120.26 3hr5 s TRP 158 Ca 0.34 -0.53 -0.07 0.00 0.02 0.00 0.00 56.10 55.86 3hr5 s TRP 158 Cb 0.08 -1.31 0.06 0.00 -1.15 0.00 0.00 33.47 31.14 3hr5 s TRP 158 CO 0.14 -0.15 0.49 0.09 0.02 0.00 0.00 176.95 177.54 3hr5 n ASN 159 N 2.93 -1.21 -2.35 2.95 3.02 0.06 -1.37 115.26 119.30 3hr5 n ASN 159 Ca -0.17 -1.05 -0.18 0.00 -0.03 0.00 0.00 54.58 53.15 3hr5 n ASN 159 Cb 0.53 -2.71 -0.01 0.00 -0.61 0.00 0.00 39.78 36.97 3hr5 n ASN 159 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hr5 n SER 160 N -2.85 -5.18 0.00 6.41 7.64 -1.26 -1.80 113.62 116.58 3hr5 n SER 160 Ca -0.17 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.80 3hr5 n SER 160 Cb 0.62 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.46 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 -0.90 0.50 0.25 0.23 0.00 -0.47 -4.95 105.19 99.86 3hr5 n GLY 161 Ca -0.21 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 1.00 -3.34 4.61 0.00 -1.26 -3.41 119.26 116.87 3hr5 h ALA 162 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3hr5 h ALA 162 Cb 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.47 3hr5 h ALA 162 CO 0.00 0.00 -0.73 -1.17 0.00 0.00 0.00 179.25 177.35 3hr5 s LEU 163 N -6.06 3.38 0.00 0.00 2.96 -1.01 -4.91 118.68 113.05 3hr5 s LEU 163 Ca 0.03 -0.98 0.00 0.00 -0.22 0.00 0.00 54.13 52.96 3hr5 s LEU 163 Cb 0.08 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 45.09 3hr5 s LEU 163 CO 0.56 -0.16 0.00 0.35 -1.32 0.00 0.00 176.35 175.78 3hr5 n THR 164 N 4.66 0.00 -2.03 3.68 -2.24 -1.26 -4.14 114.28 112.94 3hr5 n THR 164 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3hr5 n THR 164 Cb 0.46 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 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 -2.44 6.67 0.00 3.42 0.01 -1.26 -2.64 113.70 117.47 3hr5 s SER 165 Ca 0.00 2.61 0.00 0.00 1.31 0.00 0.00 55.95 59.87 3hr5 s SER 165 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 3hr5 s SER 165 CO 0.00 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.55 3hr5 n GLY 166 N 2.61 0.81 3.70 3.44 0.00 -1.26 -4.74 105.19 109.76 3hr5 n GLY 166 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.23 5.03 -0.25 1.61 1.01 -1.08 -2.46 120.40 121.02 3hr5 s VAL 167 Ca 0.00 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.38 3hr5 s VAL 167 Cb 0.00 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.43 3hr5 s VAL 167 CO 0.00 0.19 -0.08 -1.00 0.00 0.00 0.00 175.10 174.21 3hr5 s HIS 168 N 1.25 2.91 -0.37 5.22 3.76 -0.09 -4.99 115.29 122.98 3hr5 s HIS 168 Ca 0.35 -2.11 -0.14 0.00 -0.15 0.00 0.00 55.06 53.00 3hr5 s HIS 168 Cb -0.17 -1.81 -0.00 0.00 1.11 0.00 0.00 32.58 31.70 3hr5 s HIS 168 CO 0.15 -0.84 0.30 0.99 -0.85 0.00 0.00 174.74 174.49 3hr5 s THR 169 N 1.22 5.24 0.34 1.30 2.01 -1.26 -0.96 115.64 123.52 3hr5 s THR 169 Ca -0.07 -0.29 -0.26 0.00 0.31 0.00 0.00 61.69 61.38 3hr5 s THR 169 Cb -0.19 -3.83 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 3hr5 s THR 169 CO -0.06 -0.15 0.99 -0.36 -0.69 0.00 0.00 174.62 174.36 3hr5 s PHE 170 N 1.82 3.57 0.42 4.92 0.40 -0.26 -5.00 117.98 123.85 3hr5 s PHE 170 Ca 0.08 1.74 -0.24 0.00 -0.60 0.00 0.00 56.93 57.91 3hr5 s PHE 170 Cb -0.18 -3.02 -0.11 0.00 0.51 0.00 0.00 43.02 40.23 3hr5 s PHE 170 CO 0.11 -0.09 0.97 -2.30 0.70 0.00 0.00 175.22 174.61 3hr5 n PRO 171 N 0.48 1.27 -2.07 0.24 -0.02 -1.26 -4.59 135.00 129.05 3hr5 n PRO 171 Ca 0.02 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.61 3hr5 n PRO 171 Cb 0.49 -1.98 0.02 0.00 -0.02 0.00 0.00 33.50 32.01 3hr5 n PRO 171 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hr5 s ALA 172 N -1.28 2.59 -0.10 3.55 0.00 -1.26 -4.82 121.76 120.43 3hr5 s ALA 172 Ca 0.63 0.87 0.02 0.00 0.00 0.00 0.00 51.96 53.48 3hr5 s ALA 172 Cb -0.57 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.14 3hr5 s ALA 172 CO 0.57 -1.03 -0.15 0.08 0.00 0.00 0.00 175.76 175.23 3hr5 s VAL 173 N -1.77 2.88 -0.52 0.00 1.01 -0.70 -4.93 120.40 116.36 3hr5 s VAL 173 Ca 0.74 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.69 3hr5 s VAL 173 Cb -0.26 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 33.98 3hr5 s VAL 173 CO 0.32 0.55 1.13 -0.22 0.00 0.00 0.00 175.10 176.87 3hr5 s LEU 174 N 0.01 3.62 0.81 3.92 0.20 -1.26 -1.95 118.68 124.03 3hr5 s LEU 174 Ca -0.05 0.27 -0.11 0.00 0.69 0.00 0.00 54.13 54.93 3hr5 s LEU 174 Cb -0.14 -3.35 0.07 0.00 -0.43 0.00 0.00 46.19 42.34 3hr5 s LEU 174 CO 0.04 -1.32 1.09 -1.10 -0.29 0.00 0.00 176.35 174.78 3hr5 s GLN 175 N 4.55 2.01 0.37 1.98 -0.21 0.49 -4.91 119.66 123.93 3hr5 s GLN 175 Ca 0.44 0.82 0.25 0.00 0.02 0.00 0.00 55.36 56.90 3hr5 s GLN 175 Cb -0.08 -1.89 1.35 0.00 1.00 0.00 0.00 33.01 33.39 3hr5 s GLN 175 CO 0.29 -1.72 1.77 0.66 -2.12 0.00 0.00 175.29 174.16 3hr5 h SER 176 N -1.17 0.00 -0.10 5.90 4.64 -1.96 -0.75 113.55 120.12 3hr5 h SER 176 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3hr5 h SER 176 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3hr5 h SER 176 CO 0.56 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.98 3hr5 n SER 177 N -2.38 1.25 -0.37 4.97 3.41 -1.26 -4.91 113.62 114.34 3hr5 n SER 177 Ca -0.02 -1.57 -0.05 0.00 -0.26 0.00 0.00 58.87 56.97 3hr5 n SER 177 Cb 0.05 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 3hr5 n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hr5 n GLY 178 N 1.08 0.73 3.58 5.00 0.00 -0.29 -5.03 105.19 110.26 3hr5 n GLY 178 Ca 0.17 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.09 3.05 0.22 0.99 1.02 -1.25 -4.88 118.68 116.74 3hr5 s LEU 179 Ca 0.00 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.70 3hr5 s LEU 179 Cb 0.00 -1.82 -0.05 0.00 0.02 0.00 0.00 46.19 44.34 3hr5 s LEU 179 CO 0.00 0.16 0.44 -0.31 0.02 0.00 0.00 176.35 176.66 3hr5 s TYR 180 N -1.33 3.48 -0.17 0.29 2.02 0.10 -0.38 117.35 121.36 3hr5 s TYR 180 Ca 0.22 0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 57.30 3hr5 s TYR 180 Cb -0.11 -1.97 0.05 0.00 -0.40 0.00 0.00 41.96 39.53 3hr5 s TYR 180 CO 0.14 0.33 0.42 0.45 -1.57 0.00 0.00 175.55 175.32 3hr5 s SER 181 N -2.97 -0.48 0.17 2.29 0.15 -0.82 -0.30 113.70 111.73 3hr5 s SER 181 Ca 0.41 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.94 3hr5 s SER 181 Cb -0.11 0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 64.98 3hr5 s SER 181 CO 0.28 -0.17 0.06 -1.48 1.20 0.00 0.00 173.24 173.13 3hr5 s LEU 182 N 0.78 1.75 0.06 3.45 0.05 0.46 -1.73 118.68 123.51 3hr5 s LEU 182 Ca -0.05 -1.25 0.10 0.00 0.05 0.00 0.00 54.13 52.98 3hr5 s LEU 182 Cb -0.05 0.18 -0.03 0.00 -2.05 0.00 0.00 46.19 44.23 3hr5 s LEU 182 CO -0.06 -0.70 -0.26 -0.44 -0.55 0.00 0.00 176.35 174.34 3hr5 s SER 183 N -3.14 3.22 -0.12 1.48 0.01 -1.26 -0.29 113.70 113.60 3hr5 s SER 183 Ca 0.28 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.94 3hr5 s SER 183 Cb 0.07 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 3hr5 s SER 183 CO 0.06 0.24 -0.19 -0.55 0.41 0.00 0.00 173.24 173.21 3hr5 s SER 184 N -1.43 3.52 0.04 2.44 0.15 -0.55 -1.10 113.70 116.77 3hr5 s SER 184 Ca 0.12 -0.46 0.07 0.00 0.70 0.00 0.00 55.95 56.38 3hr5 s SER 184 Cb -0.10 -1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 3hr5 s SER 184 CO 0.03 0.15 -0.19 0.54 1.20 0.00 0.00 173.24 174.97 3hr5 s VAL 185 N 0.44 1.51 -0.00 4.45 0.11 -0.14 -0.47 120.40 126.31 3hr5 s VAL 185 Ca -0.13 -1.12 0.02 0.00 -2.93 0.00 0.00 61.98 57.82 3hr5 s VAL 185 Cb -0.17 -1.32 -0.01 0.00 -1.53 0.00 0.00 36.38 33.35 3hr5 s VAL 185 CO 0.06 0.17 -0.06 0.54 -3.33 0.00 0.00 175.10 172.48 3hr5 s VAL 186 N -0.78 0.47 -0.15 2.04 0.11 0.10 -0.91 120.40 121.28 3hr5 s VAL 186 Ca 0.06 -0.30 -0.09 0.00 -2.93 0.00 0.00 61.98 58.73 3hr5 s VAL 186 Cb -0.08 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 3hr5 s VAL 186 CO 0.01 0.10 0.15 0.42 -3.33 0.00 0.00 175.10 172.46 3hr5 s THR 187 N -0.20 5.44 0.12 5.04 -4.23 -1.03 -1.37 115.64 119.40 3hr5 s THR 187 Ca 0.02 0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 60.75 3hr5 s THR 187 Cb -0.03 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 3hr5 s THR 187 CO -0.00 0.53 0.06 0.68 -0.54 0.00 0.00 174.62 175.35 3hr5 s VAL 188 N -0.38 0.12 0.42 2.29 -7.23 -0.33 -4.65 120.40 110.63 3hr5 s VAL 188 Ca 0.13 -1.86 -0.25 0.00 -1.81 0.00 0.00 61.98 58.18 3hr5 s VAL 188 Cb -0.12 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.78 3hr5 s VAL 188 CO 0.02 -0.52 1.21 -2.84 -0.31 0.00 0.00 175.10 172.65 3hr5 s PRO 189 N -4.03 3.95 0.17 4.82 0.02 -1.26 0.14 135.00 138.82 3hr5 s PRO 189 Ca 0.21 1.92 -0.13 0.00 0.02 0.00 0.00 61.00 63.03 3hr5 s PRO 189 Cb 0.07 -2.64 0.07 0.00 0.02 0.00 0.00 34.50 32.02 3hr5 s PRO 189 CO 0.00 -0.43 1.77 0.77 -0.33 0.00 0.00 177.00 178.78 3hr5 h SER 190 N 2.52 0.74 -0.16 2.53 0.02 -1.75 -2.62 113.55 114.83 3hr5 h SER 190 Ca -0.49 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 60.39 3hr5 h SER 190 Cb 1.24 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3hr5 h SER 190 CO 0.62 0.65 0.16 0.77 -1.14 0.00 0.00 176.83 177.88 3hr5 h SER 191 N 0.78 0.00 0.91 3.07 4.64 -1.88 -1.55 113.55 119.52 3hr5 h SER 191 Ca 0.20 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 3hr5 h SER 191 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3hr5 h SER 191 CO -0.03 0.00 -0.40 0.28 -0.87 0.00 0.00 176.83 175.82 3hr5 h SER 192 N 0.00 0.00 -2.65 4.97 0.02 -1.86 -3.43 113.55 110.60 3hr5 h SER 192 Ca 0.08 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.50 3hr5 h SER 192 Cb 0.39 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.98 3hr5 h SER 192 CO -0.00 0.40 1.02 -0.76 -1.14 0.00 0.00 176.83 176.35 3hr5 s LEU 193 N -7.00 4.38 0.00 5.07 1.43 -0.59 -1.22 118.68 120.75 3hr5 s LEU 193 Ca 0.00 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 3hr5 s LEU 193 Cb 0.11 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.74 3hr5 s LEU 193 CO 0.69 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.93 3hr5 n GLY 194 N 4.03 1.63 0.38 -3.19 0.00 -1.26 -4.82 105.19 101.95 3hr5 n GLY 194 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 0.43 -3.63 2.61 -2.24 -0.36 -5.02 114.28 104.07 3hr5 n THR 195 Ca 0.00 -0.71 -0.16 0.00 -2.27 0.00 0.00 64.05 60.91 3hr5 n THR 195 Cb 0.00 0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.81 0.86 0.03 -0.78 -0.21 -1.14 -5.09 119.66 112.52 3hr5 s GLN 196 Ca 0.12 0.19 -0.12 0.00 0.02 0.00 0.00 55.36 55.58 3hr5 s GLN 196 Cb 0.08 0.40 -0.06 0.00 1.00 0.00 0.00 33.01 34.43 3hr5 s GLN 196 CO 0.11 -0.24 0.39 0.95 -2.12 0.00 0.00 175.29 174.37 3hr5 s THR 197 N -0.98 5.10 -0.23 -0.19 -4.23 -1.26 -4.87 115.64 108.97 3hr5 s THR 197 Ca -0.10 0.59 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 3hr5 s THR 197 Cb -0.02 -3.66 0.05 0.00 1.34 0.00 0.00 72.50 70.21 3hr5 s THR 197 CO 0.06 0.43 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.15 3hr5 s TYR 198 N -1.25 2.81 -0.15 3.99 2.02 -1.26 -4.98 117.35 118.53 3hr5 s TYR 198 Ca 0.28 -1.93 -0.01 0.00 -0.37 0.00 0.00 57.07 55.04 3hr5 s TYR 198 Cb -0.15 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 3hr5 s TYR 198 CO 0.15 -0.81 -0.11 0.42 -1.57 0.00 0.00 175.55 173.63 3hr5 s ILE 199 N 1.26 3.09 -0.07 2.71 1.09 -1.26 -0.79 121.20 127.23 3hr5 s ILE 199 Ca -0.05 -0.63 -0.18 0.00 -1.10 0.00 0.00 60.65 58.70 3hr5 s ILE 199 Cb -0.18 -2.33 -0.05 0.00 -1.06 0.00 0.00 42.46 38.85 3hr5 s ILE 199 CO -0.07 0.50 0.48 0.00 -0.10 0.00 0.00 174.94 175.75 3hr5 s ASN 201 N 0.09 5.57 -0.19 0.00 -0.87 0.89 -1.12 114.94 119.31 3hr5 s ASN 201 Ca 0.26 -1.51 -0.07 0.00 -1.57 0.00 0.00 52.86 49.97 3hr5 s ASN 201 Cb -0.16 -1.96 -0.04 0.00 -0.02 0.00 0.00 41.25 39.07 3hr5 s ASN 201 CO 0.12 -0.52 0.06 -0.69 -2.57 0.00 0.00 177.10 173.51 3hr5 s VAL 202 N 1.40 4.70 -0.10 1.60 1.01 0.60 -1.70 120.40 127.91 3hr5 s VAL 202 Ca 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3hr5 s VAL 202 Cb -0.23 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.05 3hr5 s VAL 202 CO 0.02 0.45 -0.10 0.21 0.00 0.00 0.00 175.10 175.67 3hr5 s ASN 203 N 0.52 2.12 -0.65 3.32 3.84 0.08 -0.19 114.94 123.99 3hr5 s ASN 203 Ca 0.03 -0.33 0.03 0.00 0.21 0.00 0.00 52.86 52.80 3hr5 s ASN 203 Cb -0.13 -0.89 0.16 0.00 -0.55 0.00 0.00 41.25 39.84 3hr5 s ASN 203 CO 0.01 -0.05 0.43 -2.28 -2.79 0.00 0.00 177.10 172.42 3hr5 s HIS 204 N 1.28 3.45 0.25 0.43 5.65 0.90 0.45 115.29 127.70 3hr5 s HIS 204 Ca -0.02 -3.20 -0.03 0.00 0.25 0.00 0.00 55.06 52.06 3hr5 s HIS 204 Cb -0.14 -2.85 0.47 0.00 -1.18 0.00 0.00 32.58 28.89 3hr5 s HIS 204 CO -0.04 -0.66 1.76 0.87 -0.65 0.00 0.00 174.74 176.02 3hr5 h LYS 205 N 6.01 0.56 0.00 2.88 1.57 -1.78 -2.26 116.57 123.55 3hr5 h LYS 205 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hr5 h LYS 205 Cb 0.83 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3hr5 h LYS 205 CO 0.72 0.37 0.13 -1.35 -0.57 0.00 0.00 179.45 178.76 3hr5 h PRO 206 N 0.58 0.00 0.00 3.15 0.11 -1.92 -1.68 132.00 132.24 3hr5 h PRO 206 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3hr5 h PRO 206 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3hr5 h PRO 206 CO -0.35 0.00 -0.00 -1.13 -0.21 0.00 0.00 178.00 176.31 3hr5 n SER 207 N -2.52 1.64 -4.12 -2.05 3.41 -0.88 -4.96 113.62 104.14 3hr5 n SER 207 Ca -0.02 -1.82 -0.30 0.00 -0.26 0.00 0.00 58.87 56.48 3hr5 n SER 207 Cb 0.17 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 3hr5 n SER 207 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hr5 n ASN 208 N -0.41 -0.77 -4.42 4.04 4.13 -0.63 -4.83 115.26 112.38 3hr5 n ASN 208 Ca 0.00 -1.08 -0.37 0.00 1.68 0.00 0.00 54.58 54.82 3hr5 n ASN 208 Cb 0.30 -2.61 -0.13 0.00 -1.54 0.00 0.00 39.78 35.80 3hr5 n ASN 208 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3hr5 s THR 209 N -3.87 4.18 -0.12 3.41 2.01 -1.01 -5.02 115.64 115.21 3hr5 s THR 209 Ca 0.20 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 3hr5 s THR 209 Cb -0.11 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.44 3hr5 s THR 209 CO 0.93 0.29 0.01 -0.75 -0.69 0.00 0.00 174.62 174.40 3hr5 s LYS 210 N 1.58 0.72 -0.04 4.92 2.20 -1.26 -0.07 119.74 127.79 3hr5 s LYS 210 Ca 0.06 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 3hr5 s LYS 210 Cb -0.15 -1.44 0.02 0.00 -1.51 0.00 0.00 37.83 34.75 3hr5 s LYS 210 CO 0.03 -0.42 -0.02 0.08 -0.36 0.00 0.00 175.35 174.66 3hr5 s VAL 211 N 1.91 0.34 -0.34 4.02 1.01 0.74 -5.00 120.40 123.08 3hr5 s VAL 211 Ca 0.03 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 3hr5 s VAL 211 Cb -0.14 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 3hr5 s VAL 211 CO -0.06 0.19 0.26 -1.81 0.00 0.00 0.00 175.10 173.68 3hr5 s ASP 212 N 1.09 6.08 -0.25 3.32 1.01 -1.26 -0.29 116.67 126.37 3hr5 s ASP 212 Ca -0.09 -0.40 -0.04 0.00 0.71 0.00 0.00 52.55 52.73 3hr5 s ASP 212 Cb -0.14 -2.15 0.01 0.00 1.01 0.00 0.00 42.92 41.65 3hr5 s ASP 212 CO -0.01 -0.26 -0.01 -0.75 0.21 0.00 0.00 175.17 174.35 3hr5 s LYS 213 N 1.77 3.15 0.25 8.23 2.47 -0.27 -4.95 119.74 130.38 3hr5 s LYS 213 Ca 0.07 -0.79 -0.30 0.00 -1.56 0.00 0.00 55.97 53.40 3hr5 s LYS 213 Cb -0.17 -3.11 -0.09 0.00 -1.46 0.00 0.00 37.83 32.99 3hr5 s LYS 213 CO 0.11 -0.32 1.20 0.21 0.16 0.00 0.00 175.35 176.71 3hr5 s LYS 214 N 1.44 4.50 -0.14 4.03 2.20 -1.26 -1.24 119.74 129.27 3hr5 s LYS 214 Ca 0.03 1.95 0.01 0.00 -0.36 0.00 0.00 55.97 57.60 3hr5 s LYS 214 Cb -0.16 -3.18 0.02 0.00 -1.51 0.00 0.00 37.83 33.00 3hr5 s LYS 214 CO -0.02 -0.04 -0.17 0.08 -0.36 0.00 0.00 175.35 174.85 3hr5 s VAL 215 N -0.60 1.72 0.19 4.02 1.01 0.03 -4.85 120.40 121.93 3hr5 s VAL 215 Ca 0.50 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 3hr5 s VAL 215 Cb -0.34 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3hr5 s VAL 215 CO 0.41 0.48 0.21 -1.83 0.00 0.00 0.00 175.10 174.38 3hr5 s GLU 216 N 1.16 1.22 0.85 2.72 -1.05 -1.26 -4.26 118.70 118.08 3hr5 s GLU 216 Ca -0.01 -1.45 -0.11 0.00 -0.15 0.00 0.00 54.97 53.25 3hr5 s GLU 216 Cb -0.14 0.32 0.10 0.00 -0.44 0.00 0.00 34.13 33.98 3hr5 s GLU 216 CO -0.06 -0.43 1.15 -2.14 0.95 0.00 0.00 175.26 174.73 3hr5 s PRO 217 N -4.08 1.51 0.00 -4.83 0.02 -1.26 -4.42 135.00 121.93 3hr5 s PRO 217 Ca 0.30 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.84 3hr5 s PRO 217 Cb 0.05 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.78 3hr5 s PRO 217 CO 0.08 -2.26 0.00 0.36 -0.33 0.00 0.00 177.00 174.84 3hr5 n LYS 218 N -3.76 3.55 -0.05 5.54 2.85 -1.26 -5.03 118.16 120.00 3hr5 n LYS 218 Ca 0.12 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.36 3hr5 n LYS 218 Cb 0.52 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.89 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 0.00 0.00 -0.01 -5.58 0.87 -2.01 -3.53 113.55 103.29 3hr5 h SER 219 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3hr5 h SER 219 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3hr5 h SER 219 CO 0.00 0.55 0.00 0.00 -0.53 0.00 0.00 176.83 176.85