#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 3.77 -0.07 2.62 1.01 -1.26 -3.81 120.40 122.66 3hr5 s VAL 2 Ca 0.00 1.15 -0.08 0.00 0.00 0.00 0.00 61.98 63.05 3hr5 s VAL 2 Cb 0.00 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3hr5 s VAL 2 CO 0.00 -0.00 0.22 0.00 0.00 0.00 0.00 175.10 175.31 3hr5 s GLN 3 N 2.39 0.31 -0.15 2.72 -2.07 -0.26 -5.01 119.66 117.60 3hr5 s GLN 3 Ca 0.63 0.19 0.01 0.00 -1.82 0.00 0.00 55.36 54.37 3hr5 s GLN 3 Cb -0.31 0.14 0.02 0.00 -1.09 0.00 0.00 33.01 31.77 3hr5 s GLN 3 CO 0.26 -0.05 -0.19 -0.51 -1.32 0.00 0.00 175.29 173.48 3hr5 s LEU 4 N -0.15 1.96 -0.19 2.60 2.01 -1.26 -2.00 118.68 121.65 3hr5 s LEU 4 Ca -0.03 -0.56 -0.02 0.00 0.01 0.00 0.00 54.13 53.53 3hr5 s LEU 4 Cb -0.03 -1.34 -0.01 0.00 0.01 0.00 0.00 46.19 44.83 3hr5 s LEU 4 CO 0.01 0.02 -0.10 -0.69 1.01 0.00 0.00 176.35 176.60 3hr5 s VAL 5 N 1.12 3.05 0.14 -1.59 1.01 -0.91 -3.89 120.40 119.32 3hr5 s VAL 5 Ca -0.01 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 3hr5 s VAL 5 Cb -0.14 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 3hr5 s VAL 5 CO -0.07 0.47 0.61 -1.61 0.00 0.00 0.00 175.10 174.50 3hr5 s GLU 6 N 1.11 4.15 0.16 2.72 8.01 -1.26 -1.23 118.70 132.36 3hr5 s GLU 6 Ca 0.01 0.69 -0.02 0.00 0.01 0.00 0.00 54.97 55.66 3hr5 s GLU 6 Cb -0.14 -3.04 -0.04 0.00 -4.31 0.00 0.00 34.13 26.60 3hr5 s GLU 6 CO -0.02 0.52 0.11 -1.12 0.01 0.00 0.00 175.26 174.75 3hr5 s SER 7 N -1.47 0.22 0.00 -0.19 0.01 0.11 -4.76 113.70 107.63 3hr5 s SER 7 Ca 0.36 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.36 3hr5 s SER 7 Cb -0.17 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.40 3hr5 s SER 7 CO 0.20 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.67 3hr5 n GLY 8 N -0.18 0.77 3.64 3.44 0.00 -1.26 -0.40 105.19 111.20 3hr5 n GLY 8 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.74 1.71 0.00 -0.02 0.00 -1.26 -4.65 107.32 101.36 3hr5 s GLY 9 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.64 3hr5 s GLY 9 CO 0.00 1.95 0.00 0.61 0.00 0.00 0.00 173.10 175.66 3hr5 n GLY 10 N 3.71 2.72 3.76 0.20 0.00 -1.12 -4.82 105.19 109.65 3hr5 n GLY 10 Ca 0.08 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 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 4.55 -0.07 0.99 2.96 -1.26 -1.43 118.68 124.42 3hr5 s LEU 11 Ca 0.00 1.61 -0.05 0.00 -0.22 0.00 0.00 54.13 55.47 3hr5 s LEU 11 Cb 0.00 -3.31 0.03 0.00 0.50 0.00 0.00 46.19 43.41 3hr5 s LEU 11 CO 0.00 0.13 0.18 -0.69 -1.32 0.00 0.00 176.35 174.65 3hr5 s VAL 12 N -0.73 -0.02 0.44 1.68 1.01 -0.10 -4.95 120.40 117.73 3hr5 s VAL 12 Ca 0.38 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 3hr5 s VAL 12 Cb -0.22 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 35.79 3hr5 s VAL 12 CO 0.26 0.03 1.24 0.00 0.00 0.00 0.00 175.10 176.63 3hr5 n GLN 13 N 3.56 1.80 -1.63 2.72 1.13 -1.21 -1.66 117.38 122.09 3hr5 n GLN 13 Ca -0.19 0.65 -0.46 0.00 -1.94 0.00 0.00 57.00 55.06 3hr5 n GLN 13 Cb 0.56 -2.35 -0.03 0.00 0.11 0.00 0.00 30.24 28.53 3hr5 n GLN 13 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3hr5 n PRO 14 N -0.07 1.68 -0.95 -1.09 -0.02 -1.26 -0.63 135.00 132.66 3hr5 n PRO 14 Ca 0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3hr5 n PRO 14 Cb 0.40 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 1.82 0.91 2.51 -1.23 0.00 0.22 -4.95 105.19 104.46 3hr5 n GLY 15 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.14 0.21 3.02 -0.02 0.00 0.20 -4.21 105.19 102.24 3hr5 n GLY 16 Ca 0.00 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.75 1.09 0.02 1.61 0.15 -1.26 -1.77 113.70 109.78 3hr5 s SER 17 Ca 0.44 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.92 3hr5 s SER 17 Cb -0.02 -0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 3hr5 s SER 17 CO 0.30 0.10 -0.01 -0.76 1.20 0.00 0.00 173.24 174.07 3hr5 s LEU 18 N -0.13 2.16 -0.23 3.45 1.43 -0.72 -5.02 118.68 119.62 3hr5 s LEU 18 Ca 0.02 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3hr5 s LEU 18 Cb -0.05 0.16 0.05 0.00 0.03 0.00 0.00 46.19 46.39 3hr5 s LEU 18 CO -0.00 -0.30 -0.08 -0.60 0.23 0.00 0.00 176.35 175.60 3hr5 s ARG 19 N -1.40 1.92 0.27 1.70 3.52 -1.26 0.42 118.95 124.12 3hr5 s ARG 19 Ca -0.15 -1.05 -0.12 0.00 -0.13 0.00 0.00 55.73 54.28 3hr5 s ARG 19 Cb -0.09 -2.63 -0.08 0.00 -1.56 0.00 0.00 34.95 30.59 3hr5 s ARG 19 CO -0.01 -0.54 0.63 -0.51 -0.81 0.00 0.00 175.30 174.06 3hr5 s LEU 20 N 1.31 4.12 0.09 -0.88 1.02 0.59 -4.53 118.68 120.40 3hr5 s LEU 20 Ca -0.05 1.08 0.08 0.00 0.02 0.00 0.00 54.13 55.26 3hr5 s LEU 20 Cb -0.18 -3.86 -0.03 0.00 0.02 0.00 0.00 46.19 42.14 3hr5 s LEU 20 CO -0.06 -0.13 -0.22 -0.44 0.02 0.00 0.00 176.35 175.52 3hr5 s SER 21 N -2.33 2.61 -0.18 2.29 0.01 0.46 -0.64 113.70 115.91 3hr5 s SER 21 Ca 0.50 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 3hr5 s SER 21 Cb -0.11 -0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.01 3hr5 s SER 21 CO 0.20 0.09 -0.03 0.00 0.41 0.00 0.00 173.24 173.90 3hr5 s ALA 23 N 1.66 3.56 0.17 0.00 0.00 -0.37 -0.08 121.76 126.69 3hr5 s ALA 23 Ca -0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 3hr5 s ALA 23 Cb -0.16 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 3hr5 s ALA 23 CO -0.07 -0.70 0.39 0.00 0.00 0.00 0.00 175.76 175.37 3hr5 s ALA 24 N 2.07 3.80 -0.18 0.00 0.00 -0.03 -2.15 121.76 125.26 3hr5 s ALA 24 Ca 0.15 -0.64 -0.28 0.00 0.00 0.00 0.00 51.96 51.18 3hr5 s ALA 24 Cb -0.16 -2.10 0.09 0.00 0.00 0.00 0.00 23.12 20.96 3hr5 s ALA 24 CO 0.10 0.58 0.82 0.45 0.00 0.00 0.00 175.76 177.71 3hr5 s SER 25 N -2.70 -0.59 0.00 0.00 0.15 -0.85 -4.89 113.70 104.82 3hr5 s SER 25 Ca 0.40 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.94 3hr5 s SER 25 Cb -0.12 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 3hr5 s SER 25 CO 0.26 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.95 3hr5 n GLY 26 N 1.62 0.79 3.53 9.45 0.00 -1.25 -1.10 105.19 118.23 3hr5 n GLY 26 Ca -0.15 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.31 -0.76 1.61 -0.71 -1.26 -4.36 117.98 110.19 3hr5 s PHE 27 Ca 0.00 0.25 -0.26 0.00 -1.04 0.00 0.00 56.93 55.89 3hr5 s PHE 27 Cb 0.00 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 3hr5 s PHE 27 CO 0.00 -0.45 1.89 0.99 -1.34 0.00 0.00 175.22 176.31 3hr5 s THR 28 N -2.70 3.41 0.30 -4.49 2.01 -1.26 -4.82 115.64 108.09 3hr5 s THR 28 Ca 0.05 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.00 3hr5 s THR 28 Cb -0.01 -3.99 0.29 0.00 0.01 0.00 0.00 72.50 68.81 3hr5 s THR 28 CO -0.07 -0.94 1.82 0.15 -0.69 0.00 0.00 174.62 174.88 3hr5 h PHE 29 N 13.10 1.09 0.00 4.92 3.57 -1.94 -1.80 116.94 135.87 3hr5 h PHE 29 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3hr5 h PHE 29 Cb 1.08 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3hr5 h PHE 29 CO 1.13 0.36 0.00 -1.13 -2.23 0.00 0.00 178.31 176.44 3hr5 n SER 30 N -4.67 0.52 0.10 0.41 3.41 -1.26 -2.75 113.62 109.38 3hr5 n SER 30 Ca 0.21 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.56 3hr5 n SER 30 Cb 0.45 -0.73 0.24 0.00 -0.26 0.00 0.00 64.21 63.91 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 -3.07 4.04 3.32 -1.63 -3.43 116.42 115.64 3hr5 h ASP 31 Ca 0.00 -0.08 -0.62 0.00 0.02 0.00 0.00 57.03 56.35 3hr5 h ASP 31 Cb 0.36 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.74 3hr5 h ASP 31 CO 0.00 0.04 -0.80 -0.31 -1.72 0.00 0.00 179.24 176.45 3hr5 s TYR 32 N -3.17 2.20 0.24 4.55 2.02 -1.11 -4.87 117.35 117.22 3hr5 s TYR 32 Ca 0.07 -0.38 -0.08 0.00 -0.37 0.00 0.00 57.07 56.31 3hr5 s TYR 32 Cb 0.11 -1.06 -0.07 0.00 -0.40 0.00 0.00 41.96 40.54 3hr5 s TYR 32 CO 0.67 0.51 0.55 0.20 -1.57 0.00 0.00 175.55 175.91 3hr5 s GLY 33 N -2.84 2.17 0.07 0.71 0.00 -1.25 -3.77 107.32 102.41 3hr5 s GLY 33 Ca 0.22 -0.35 0.08 0.00 0.00 0.00 0.00 44.72 44.66 3hr5 s GLY 33 CO 0.10 -0.22 -0.21 -0.42 0.00 0.00 0.00 173.10 172.35 3hr5 s ILE 34 N -1.88 1.71 0.31 0.90 -1.09 -0.42 -0.66 121.20 120.08 3hr5 s ILE 34 Ca 0.46 -1.37 0.10 0.00 -2.23 0.00 0.00 60.65 57.61 3hr5 s ILE 34 Cb -0.11 -1.52 -0.05 0.00 -1.58 0.00 0.00 42.46 39.20 3hr5 s ILE 34 CO 0.24 0.09 -0.04 0.00 -1.23 0.00 0.00 174.94 173.99 3hr5 s ALA 35 N -0.96 3.08 -0.08 9.38 0.00 0.55 -1.04 121.76 132.69 3hr5 s ALA 35 Ca 0.07 -1.90 0.03 0.00 0.00 0.00 0.00 51.96 50.16 3hr5 s ALA 35 Cb -0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3hr5 s ALA 35 CO 0.03 0.15 -0.18 -1.58 0.00 0.00 0.00 175.76 174.17 3hr5 s TRP 36 N -2.49 2.64 -0.03 0.00 0.52 -0.50 -1.81 118.94 117.28 3hr5 s TRP 36 Ca 0.33 -0.60 0.02 0.00 0.02 0.00 0.00 56.10 55.88 3hr5 s TRP 36 Cb -0.02 -1.70 0.00 0.00 -1.15 0.00 0.00 33.47 30.60 3hr5 s TRP 36 CO 0.18 -0.14 -0.09 0.08 0.02 0.00 0.00 176.95 177.00 3hr5 s VAL 37 N -0.07 0.80 0.27 4.03 1.01 0.13 -0.68 120.40 125.89 3hr5 s VAL 37 Ca -0.04 -0.36 0.11 0.00 0.00 0.00 0.00 61.98 61.69 3hr5 s VAL 37 Cb -0.14 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3hr5 s VAL 37 CO 0.04 0.25 -0.14 0.00 0.00 0.00 0.00 175.10 175.25 3hr5 s ARG 38 N 0.25 1.86 -0.24 2.72 1.70 -0.29 0.41 118.95 125.37 3hr5 s ARG 38 Ca -0.04 -1.64 -0.04 0.00 -0.47 0.00 0.00 55.73 53.54 3hr5 s ARG 38 Cb -0.09 -1.90 0.09 0.00 -0.57 0.00 0.00 34.95 32.48 3hr5 s ARG 38 CO 0.01 0.35 0.16 -1.14 -1.08 0.00 0.00 175.30 173.60 3hr5 s GLN 39 N -3.48 0.17 0.66 3.89 0.74 -0.64 -1.15 119.66 119.85 3hr5 s GLN 39 Ca 0.30 -0.18 -0.18 0.00 0.05 0.00 0.00 55.36 55.35 3hr5 s GLN 39 Cb -0.06 -1.28 -0.01 0.00 1.10 0.00 0.00 33.01 32.76 3hr5 s GLN 39 CO 0.16 -0.84 1.29 0.00 -0.55 0.00 0.00 175.29 175.35 3hr5 n ALA 40 N 5.28 1.11 -1.68 1.58 0.00 -1.26 -1.79 120.51 123.76 3hr5 n ALA 40 Ca -0.06 -0.02 -0.45 0.00 0.00 0.00 0.00 53.44 52.92 3hr5 n ALA 40 Cb 0.46 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 3hr5 n ALA 40 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hr5 n PRO 41 N -1.98 2.44 -0.98 0.00 -0.02 -1.26 -1.20 135.00 132.00 3hr5 n PRO 41 Ca 0.16 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3hr5 n PRO 41 Cb 0.48 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 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 4.13 0.67 2.33 -1.23 0.00 -1.26 -5.02 105.19 104.82 3hr5 n GLY 42 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.35 1.00 -0.97 1.61 4.01 -0.34 -5.15 118.16 115.96 3hr5 n LYS 43 Ca 0.00 -2.11 -0.12 0.00 -0.51 0.00 0.00 58.31 55.57 3hr5 n LYS 43 Cb 0.02 0.23 0.08 0.00 -0.51 0.00 0.00 35.03 34.86 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 0.94 -0.83 3.86 0.72 0.00 -1.26 -4.77 105.19 103.85 3hr5 n GLY 44 Ca -0.02 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 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 4.32 -0.18 0.99 1.43 -1.26 -4.26 118.68 119.71 3hr5 s LEU 45 Ca 0.32 0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 54.32 3hr5 s LEU 45 Cb -0.01 -3.23 0.07 0.00 0.03 0.00 0.00 46.19 43.05 3hr5 s LEU 45 CO 0.22 0.10 0.15 -0.70 0.23 0.00 0.00 176.35 176.35 3hr5 s GLU 46 N -2.07 0.11 0.28 1.70 2.12 -0.30 -5.01 118.70 115.52 3hr5 s GLU 46 Ca 0.38 0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.50 3hr5 s GLU 46 Cb -0.14 -1.45 -0.10 0.00 0.26 0.00 0.00 34.13 32.70 3hr5 s GLU 46 CO 0.19 -0.64 1.40 -0.46 -0.54 0.00 0.00 175.26 175.21 3hr5 s TRP 47 N 2.23 3.01 -0.04 5.30 -0.00 -1.26 -1.13 118.94 127.05 3hr5 s TRP 47 Ca 0.04 1.15 -0.07 0.00 -0.00 0.00 0.00 56.10 57.22 3hr5 s TRP 47 Cb -0.16 -3.78 -0.03 0.00 -0.00 0.00 0.00 33.47 29.50 3hr5 s TRP 47 CO -0.10 -2.43 -0.14 0.28 -0.00 0.00 0.00 176.95 174.56 3hr5 n VAL 48 N 1.84 1.15 -3.99 5.86 0.31 0.14 -4.62 118.33 119.03 3hr5 n VAL 48 Ca 0.05 0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.46 3hr5 n VAL 48 Cb 0.41 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.46 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 -2.32 -0.24 -0.28 3.52 0.00 -1.08 -0.28 121.76 121.08 3hr5 s ALA 49 Ca -0.13 -0.90 -0.21 0.00 0.00 0.00 0.00 51.96 50.73 3hr5 s ALA 49 Cb 0.03 1.04 0.08 0.00 0.00 0.00 0.00 23.12 24.26 3hr5 s ALA 49 CO 0.18 -0.87 0.74 0.12 0.00 0.00 0.00 175.76 175.93 3hr5 s PHE 50 N -3.78 -0.87 -0.06 0.00 5.36 -0.27 -1.41 117.98 116.95 3hr5 s PHE 50 Ca 0.22 1.93 0.02 0.00 -0.96 0.00 0.00 56.93 58.14 3hr5 s PHE 50 Cb -0.01 0.43 0.01 0.00 -0.34 0.00 0.00 43.02 43.11 3hr5 s PHE 50 CO 0.10 -0.43 -0.12 -1.50 -1.46 0.00 0.00 175.22 171.81 3hr5 s ILE 51 N 0.92 1.13 0.57 3.12 2.07 -0.21 -1.58 121.20 127.21 3hr5 s ILE 51 Ca -0.04 -0.48 -0.13 0.00 -1.41 0.00 0.00 60.65 58.58 3hr5 s ILE 51 Cb -0.05 -1.03 -0.06 0.00 0.13 0.00 0.00 42.46 41.45 3hr5 s ILE 51 CO -0.09 0.35 1.00 -0.94 -1.91 0.00 0.00 174.94 173.36 3hr5 s SER 52 N 0.61 6.41 0.00 4.50 1.04 -0.59 -1.30 113.70 124.38 3hr5 s SER 52 Ca -0.14 1.48 0.00 0.00 0.48 0.00 0.00 55.95 57.78 3hr5 s SER 52 Cb -0.15 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3hr5 s SER 52 CO 0.04 -0.73 0.00 -0.67 0.98 0.00 0.00 173.24 172.85 3hr5 n ASP 53 N -2.19 0.00 -0.34 7.02 2.03 -1.25 -0.46 116.55 121.36 3hr5 n ASP 53 Ca 0.06 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.45 3hr5 n ASP 53 Cb 0.54 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.11 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 -0.36 2.51 -1.70 -2.67 4.77 -1.26 -4.79 117.00 113.51 3hr5 n LEU 54 Ca 0.00 -3.48 -0.19 0.00 -0.03 0.00 0.00 56.01 52.31 3hr5 n LEU 54 Cb 0.00 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 3hr5 n LEU 54 CO 0.00 1.05 -0.20 0.00 -1.33 0.00 0.00 177.39 176.91 3hr5 n ALA 55 N -1.27 -0.38 -0.02 -1.18 0.00 0.39 -4.90 120.51 113.15 3hr5 n ALA 55 Ca 0.17 0.25 -0.16 0.00 0.00 0.00 0.00 53.44 53.70 3hr5 n ALA 55 Cb 0.67 -1.95 -0.10 0.00 0.00 0.00 0.00 19.45 18.07 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 0.59 -3.38 0.00 0.99 -1.94 -3.44 116.97 109.79 3hr5 h TYR 56 Ca -0.41 -0.29 -0.67 0.00 2.00 0.00 0.00 58.73 59.37 3hr5 h TYR 56 Cb 1.27 -0.08 -0.31 0.00 1.00 0.00 0.00 36.73 38.60 3hr5 h TYR 56 CO 0.52 1.07 -0.76 0.99 -0.00 0.00 0.00 178.16 179.98 3hr5 s THR 57 N -3.48 2.93 -0.05 -2.88 2.01 -1.26 -5.03 115.64 107.88 3hr5 s THR 57 Ca -0.13 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.11 3hr5 s THR 57 Cb 0.04 -2.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 3hr5 s THR 57 CO 0.81 0.35 -0.16 -0.63 -0.69 0.00 0.00 174.62 174.29 3hr5 s ILE 58 N 1.38 2.89 0.01 1.82 1.01 -1.26 -1.54 121.20 125.51 3hr5 s ILE 58 Ca 0.03 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.97 3hr5 s ILE 58 Cb -0.15 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 3hr5 s ILE 58 CO -0.06 0.58 -0.19 -0.31 0.00 0.00 0.00 174.94 174.97 3hr5 s TYR 59 N -0.59 1.70 0.14 3.97 4.12 -0.62 -4.99 117.35 121.08 3hr5 s TYR 59 Ca 0.09 -0.34 0.10 0.00 0.02 0.00 0.00 57.07 56.93 3hr5 s TYR 59 Cb -0.11 -1.06 -0.04 0.00 -1.52 0.00 0.00 41.96 39.23 3hr5 s TYR 59 CO 0.01 0.02 -0.22 0.71 0.02 0.00 0.00 175.55 176.08 3hr5 s TYR 60 N -0.59 2.02 0.47 2.71 2.02 -1.26 -1.11 117.35 121.61 3hr5 s TYR 60 Ca 0.07 -0.41 -0.21 0.00 -0.37 0.00 0.00 57.07 56.15 3hr5 s TYR 60 Cb -0.08 -1.06 -0.08 0.00 -0.40 0.00 0.00 41.96 40.34 3hr5 s TYR 60 CO 0.00 0.32 1.06 0.00 -1.57 0.00 0.00 175.55 175.36 3hr5 s ALA 61 N -1.41 2.92 0.45 3.71 0.00 0.61 -4.93 121.76 123.11 3hr5 s ALA 61 Ca 0.13 0.67 0.12 0.00 0.00 0.00 0.00 51.96 52.88 3hr5 s ALA 61 Cb -0.09 -3.27 1.04 0.00 0.00 0.00 0.00 23.12 20.80 3hr5 s ALA 61 CO 0.06 -0.34 2.06 -0.44 0.00 0.00 0.00 175.76 177.10 3hr5 h ASP 62 N 1.80 0.30 0.11 0.00 5.19 -1.94 -1.91 116.42 119.97 3hr5 h ASP 62 Ca -0.49 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 3hr5 h ASP 62 Cb 1.22 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.66 3hr5 h ASP 62 CO 0.60 0.20 0.00 1.07 -3.12 0.00 0.00 179.24 177.99 3hr5 n THR 63 N -4.49 1.71 0.00 0.35 5.66 -1.26 -3.54 114.28 112.71 3hr5 n THR 63 Ca 0.03 0.47 0.00 0.00 -3.05 0.00 0.00 64.05 61.50 3hr5 n THR 63 Cb 0.17 -1.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.53 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 -1.58 0.00 -1.99 1.08 0.31 -0.78 -5.07 118.33 110.30 3hr5 n VAL 64 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.92 3hr5 n VAL 64 Cb 0.04 0.08 -0.03 0.00 -0.91 0.00 0.00 33.84 33.02 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 -0.71 2.69 0.00 2.52 -1.32 -0.84 -2.66 115.64 115.33 3hr5 s THR 65 Ca 0.00 0.54 0.00 0.00 -1.21 0.00 0.00 61.69 61.02 3hr5 s THR 65 Cb 0.00 -3.34 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 3hr5 s THR 65 CO 0.00 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 3hr5 n GLY 66 N 2.95 3.08 0.10 6.08 0.00 -1.26 -4.81 105.19 111.32 3hr5 n GLY 66 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.31 0.93 -4.31 1.61 1.74 -1.09 -4.96 116.66 110.27 3hr5 n ARG 67 Ca 0.00 0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.75 3hr5 n ARG 67 Cb 0.00 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 29.87 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 -2.45 3.17 -0.22 -1.55 0.40 -1.11 -0.85 117.98 115.36 3hr5 s PHE 68 Ca -0.13 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 3hr5 s PHE 68 Cb 0.06 -1.86 0.06 0.00 0.51 0.00 0.00 43.02 41.78 3hr5 s PHE 68 CO 0.71 0.35 -0.05 0.99 0.70 0.00 0.00 175.22 177.92 3hr5 s THR 69 N -0.50 1.44 0.30 0.64 2.01 -0.04 -4.87 115.64 114.62 3hr5 s THR 69 Ca 0.09 -1.12 -0.27 0.00 0.31 0.00 0.00 61.69 60.70 3hr5 s THR 69 Cb -0.12 -1.70 -0.09 0.00 0.01 0.00 0.00 72.50 70.59 3hr5 s THR 69 CO 0.02 -0.07 0.97 -0.51 -0.69 0.00 0.00 174.62 174.34 3hr5 s ILE 70 N 1.44 4.04 0.12 1.82 2.07 -1.26 -1.74 121.20 127.69 3hr5 s ILE 70 Ca -0.05 1.81 -0.21 0.00 -1.41 0.00 0.00 60.65 60.79 3hr5 s ILE 70 Cb -0.18 -4.06 0.06 0.00 0.13 0.00 0.00 42.46 38.41 3hr5 s ILE 70 CO -0.07 0.25 0.54 -0.94 -1.91 0.00 0.00 174.94 172.82 3hr5 s SER 71 N -1.41 -0.47 0.21 4.50 1.04 -0.69 -5.01 113.70 111.87 3hr5 s SER 71 Ca 0.48 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.93 3hr5 s SER 71 Cb -0.22 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 3hr5 s SER 71 CO 0.28 -0.89 -0.05 0.00 0.98 0.00 0.00 173.24 173.57 3hr5 s ARG 72 N -3.46 1.26 -0.30 4.02 1.70 -1.26 0.34 118.95 121.25 3hr5 s ARG 72 Ca 0.00 -1.60 -0.03 0.00 -0.47 0.00 0.00 55.73 53.63 3hr5 s ARG 72 Cb -0.00 -0.69 0.10 0.00 -0.57 0.00 0.00 34.95 33.79 3hr5 s ARG 72 CO -0.10 -0.01 0.12 0.34 -1.08 0.00 0.00 175.30 174.57 3hr5 s ASP 73 N -3.27 3.68 0.50 -2.89 2.15 0.11 -4.97 116.67 111.98 3hr5 s ASP 73 Ca 0.24 -1.42 0.25 0.00 0.43 0.00 0.00 52.55 52.04 3hr5 s ASP 73 Cb 0.04 -0.51 1.34 0.00 -0.30 0.00 0.00 42.92 43.49 3hr5 s ASP 73 CO 0.06 -0.43 2.05 0.78 -0.17 0.00 0.00 175.17 177.46 3hr5 h ASN 74 N 8.27 0.00 1.27 -0.34 2.35 -1.97 -1.43 115.58 123.74 3hr5 h ASN 74 Ca -0.17 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.50 3hr5 h ASN 74 Cb 1.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 3hr5 h ASN 74 CO 0.45 0.14 -0.39 0.77 -1.65 0.00 0.00 177.43 176.75 3hr5 h SER 75 N 0.00 0.00 -0.01 5.81 4.64 -1.96 -3.19 113.55 118.84 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 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hr5 h SER 75 CO 0.02 0.39 -0.59 0.29 -0.87 0.00 0.00 176.83 176.07 3hr5 n LYS 76 N -3.31 1.06 -3.78 4.77 5.02 -0.90 -5.00 118.16 116.03 3hr5 n LYS 76 Ca 0.01 -0.68 -0.28 0.00 -2.02 0.00 0.00 58.31 55.34 3hr5 n LYS 76 Cb 0.61 -1.43 0.05 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.45 -5.47 -4.26 4.39 3.02 -0.59 -4.88 115.26 107.01 3hr5 n ASN 77 Ca 0.07 -0.68 -0.31 0.00 -0.03 0.00 0.00 54.58 53.64 3hr5 n ASN 77 Cb 0.40 -4.38 -0.16 0.00 -0.61 0.00 0.00 39.78 35.03 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 -3.31 1.97 -0.03 3.41 2.01 -1.04 -0.85 115.64 117.79 3hr5 s THR 78 Ca 0.63 -1.03 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 3hr5 s THR 78 Cb -0.30 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3hr5 s THR 78 CO 0.79 0.55 0.02 -0.22 -0.69 0.00 0.00 174.62 175.07 3hr5 s LEU 79 N -0.27 3.61 0.09 4.42 2.96 0.88 -0.71 118.68 129.66 3hr5 s LEU 79 Ca 0.00 0.08 0.09 0.00 -0.22 0.00 0.00 54.13 54.08 3hr5 s LEU 79 Cb -0.12 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3hr5 s LEU 79 CO 0.02 0.31 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.83 3hr5 s TYR 80 N -1.03 1.99 -0.26 5.38 2.02 0.15 0.48 117.35 126.07 3hr5 s TYR 80 Ca 0.18 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.46 3hr5 s TYR 80 Cb -0.12 -1.12 0.09 0.00 -0.40 0.00 0.00 41.96 40.41 3hr5 s TYR 80 CO 0.08 0.20 0.08 -1.17 -1.57 0.00 0.00 175.55 173.17 3hr5 s LEU 81 N -1.66 1.52 -0.19 -1.29 2.96 0.18 -1.70 118.68 118.51 3hr5 s LEU 81 Ca 0.09 -1.27 -0.23 0.00 -0.22 0.00 0.00 54.13 52.50 3hr5 s LEU 81 Cb -0.10 -0.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.91 3hr5 s LEU 81 CO 0.04 -0.38 0.73 -1.58 -1.32 0.00 0.00 176.35 173.84 3hr5 s GLN 82 N 1.80 4.25 -0.31 1.98 2.00 -0.71 -0.30 119.66 128.37 3hr5 s GLN 82 Ca 0.06 0.81 0.01 0.00 -2.00 0.00 0.00 55.36 54.24 3hr5 s GLN 82 Cb -0.17 -3.58 0.07 0.00 0.80 0.00 0.00 33.01 30.13 3hr5 s GLN 82 CO -0.21 -0.29 -0.01 -1.64 -0.50 0.00 0.00 175.29 172.64 3hr5 s MET 83 N 2.06 2.16 0.27 1.67 -1.94 0.17 -0.86 119.30 122.82 3hr5 s MET 83 Ca 0.33 -1.46 0.06 0.00 -1.71 0.00 0.00 55.69 52.91 3hr5 s MET 83 Cb -0.16 -3.13 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 3hr5 s MET 83 CO 0.11 -0.71 0.35 -0.80 -0.01 0.00 0.00 175.02 173.97 3hr5 s ASN 84 N 1.21 6.03 -1.30 3.03 0.01 -0.03 -1.75 114.94 122.14 3hr5 s ASN 84 Ca -0.02 -0.08 -0.05 0.00 -0.71 0.00 0.00 52.86 52.00 3hr5 s ASN 84 Cb -0.20 -1.57 0.01 0.00 0.41 0.00 0.00 41.25 39.90 3hr5 s ASN 84 CO -0.04 -0.17 1.02 -0.24 -1.51 0.00 0.00 177.10 176.16 3hr5 n SER 85 N -1.42 -3.71 -4.75 -1.22 2.88 -1.20 -4.68 113.62 99.52 3hr5 n SER 85 Ca -0.06 -0.64 -0.41 0.00 -1.33 0.00 0.00 58.87 56.43 3hr5 n SER 85 Cb 0.58 -4.83 -0.02 0.00 -0.75 0.00 0.00 64.21 59.18 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 -6.83 4.38 0.35 2.46 1.43 -0.73 -4.68 118.68 115.06 3hr5 s LEU 86 Ca 0.27 2.70 0.08 0.00 -1.03 0.00 0.00 54.13 56.16 3hr5 s LEU 86 Cb -0.12 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 3hr5 s LEU 86 CO 0.75 -0.72 0.12 -0.13 0.23 0.00 0.00 176.35 176.60 3hr5 s ARG 87 N -0.49 2.29 0.54 1.70 3.00 -1.26 0.69 118.95 125.42 3hr5 s ARG 87 Ca 0.59 -1.61 0.28 0.00 0.00 0.00 0.00 55.73 54.99 3hr5 s ARG 87 Cb -0.42 -2.11 1.52 0.00 0.00 0.00 0.00 34.95 33.94 3hr5 s ARG 87 CO 0.45 0.10 2.10 0.00 0.00 0.00 0.00 175.30 177.94 3hr5 h ALA 88 N 1.60 1.29 0.00 2.13 0.00 -1.97 -2.01 119.26 120.30 3hr5 h ALA 88 Ca -0.43 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3hr5 h ALA 88 Cb 1.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3hr5 h ALA 88 CO 0.64 0.12 -0.23 0.93 0.00 0.00 0.00 179.25 180.72 3hr5 h GLU 89 N 0.00 0.00 0.00 0.00 3.07 -1.96 -3.10 114.58 112.59 3hr5 h GLU 89 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hr5 h GLU 89 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 3hr5 h GLU 89 CO 0.01 0.23 0.00 -0.25 -1.40 0.00 0.00 179.01 177.60 3hr5 n ASP 90 N -3.58 0.00 -4.60 1.42 8.00 -0.75 -4.78 116.55 112.25 3hr5 n ASP 90 Ca -0.01 -1.47 -0.43 0.00 0.71 0.00 0.00 54.79 53.59 3hr5 n ASP 90 Cb 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 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 -2.00 3.83 0.15 -3.53 2.01 -1.17 -4.87 115.64 110.05 3hr5 s THR 91 Ca 0.21 0.85 -0.24 0.00 0.31 0.00 0.00 61.69 62.82 3hr5 s THR 91 Cb 0.10 -4.08 0.06 0.00 0.01 0.00 0.00 72.50 68.59 3hr5 s THR 91 CO 0.16 -0.66 0.81 0.00 -0.69 0.00 0.00 174.62 174.24 3hr5 s ALA 92 N 5.63 -1.57 -0.18 7.40 0.00 -1.00 -4.19 121.76 127.85 3hr5 s ALA 92 Ca 0.65 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 3hr5 s ALA 92 Cb -0.16 0.69 -0.00 0.00 0.00 0.00 0.00 23.12 23.65 3hr5 s ALA 92 CO 0.32 -0.91 1.01 0.08 0.00 0.00 0.00 175.76 176.26 3hr5 s VAL 93 N -3.50 4.74 -0.21 0.00 1.01 -0.74 -1.20 120.40 120.49 3hr5 s VAL 93 Ca 0.08 2.00 -0.15 0.00 0.00 0.00 0.00 61.98 63.91 3hr5 s VAL 93 Cb -0.02 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 3hr5 s VAL 93 CO -0.02 -0.09 0.34 -0.31 0.00 0.00 0.00 175.10 175.01 3hr5 s TYR 94 N 2.68 3.36 -0.07 5.22 1.51 0.11 -1.62 117.35 128.54 3hr5 s TYR 94 Ca 0.45 0.52 0.01 0.00 -1.01 0.00 0.00 57.07 57.04 3hr5 s TYR 94 Cb -0.16 -2.46 -0.03 0.00 -0.11 0.00 0.00 41.96 39.19 3hr5 s TYR 94 CO 0.11 0.01 -0.08 0.71 -1.11 0.00 0.00 175.55 175.19 3hr5 s TYR 95 N 1.26 2.90 -0.15 2.71 2.02 0.17 -1.00 117.35 125.25 3hr5 s TYR 95 Ca 0.16 -0.02 -0.08 0.00 -0.37 0.00 0.00 57.07 56.76 3hr5 s TYR 95 Cb -0.14 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 3hr5 s TYR 95 CO 0.07 0.29 0.14 0.00 -1.57 0.00 0.00 175.55 174.48 3hr5 s ALA 97 N -0.49 1.56 0.06 0.00 0.00 -0.75 -1.09 121.76 121.06 3hr5 s ALA 97 Ca 0.12 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 3hr5 s ALA 97 Cb -0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 3hr5 s ALA 97 CO 0.02 0.28 0.93 -0.98 0.00 0.00 0.00 175.76 176.00 3hr5 s ARG 98 N 0.06 4.62 -0.22 0.00 1.04 0.25 -0.33 118.95 124.37 3hr5 s ARG 98 Ca -0.05 1.36 -0.13 0.00 -1.04 0.00 0.00 55.73 55.88 3hr5 s ARG 98 Cb -0.12 -3.40 -0.04 0.00 -2.04 0.00 0.00 34.95 29.35 3hr5 s ARG 98 CO 0.02 0.14 0.28 0.34 -0.04 0.00 0.00 175.30 176.04 3hr5 s ASP 99 N 0.30 6.26 0.55 -2.89 2.15 0.17 -1.63 116.67 121.59 3hr5 s ASP 99 Ca 0.47 0.30 0.28 0.00 0.43 0.00 0.00 52.55 54.02 3hr5 s ASP 99 Cb -0.22 -2.17 1.46 0.00 -0.30 0.00 0.00 42.92 41.69 3hr5 s ASP 99 CO 0.28 -0.01 1.95 0.78 -0.17 0.00 0.00 175.17 178.00 3hr5 h ASN 100 N 7.48 0.00 0.00 -0.34 2.35 0.39 -3.34 115.58 122.13 3hr5 h ASN 100 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3hr5 h ASN 100 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3hr5 h ASN 100 CO 0.68 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 177.25 3hr5 n TRP 101 N -4.13 0.00 0.00 1.19 7.02 -1.26 -4.80 117.44 115.46 3hr5 n TRP 101 Ca 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.59 3hr5 n TRP 101 Cb 0.69 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.58 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 1.27 -3.52 -0.99 5.68 -1.26 -5.14 116.55 112.59 3hr5 n ASP 102 Ca 0.00 -0.02 -0.12 0.00 -0.50 0.00 0.00 54.79 54.15 3hr5 n ASP 102 Cb 0.00 0.30 -0.04 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.55 -1.81 -0.65 2.12 0.00 -1.26 -5.11 121.76 114.50 3hr5 s ALA 103 Ca 0.00 1.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.87 3hr5 s ALA 103 Cb 0.00 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.20 3hr5 s ALA 103 CO 0.00 -0.51 1.20 -1.64 0.00 0.00 0.00 175.76 174.81 3hr5 s MET 104 N -2.13 3.34 -0.22 0.00 -1.94 -1.26 0.10 119.30 117.20 3hr5 s MET 104 Ca -0.02 -0.06 -0.11 0.00 -1.71 0.00 0.00 55.69 53.80 3hr5 s MET 104 Cb -0.01 -4.10 -0.19 0.00 2.01 0.00 0.00 34.83 32.55 3hr5 s MET 104 CO -0.02 -1.87 0.01 -0.40 -0.01 0.00 0.00 175.02 172.73 3hr5 n ASP 105 N 8.72 1.98 -4.32 3.03 5.75 -0.65 -4.89 116.55 126.17 3hr5 n ASP 105 Ca 0.05 0.23 -0.33 0.00 -0.01 0.00 0.00 54.79 54.74 3hr5 n ASP 105 Cb 0.49 -0.79 -0.15 0.00 -1.03 0.00 0.00 41.12 39.64 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 -2.48 2.73 0.04 2.11 2.02 -1.25 -5.01 117.35 115.50 3hr5 s TYR 106 Ca -0.31 -0.76 0.08 0.00 -0.37 0.00 0.00 57.07 55.71 3hr5 s TYR 106 Cb 0.09 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 3hr5 s TYR 106 CO 0.61 -0.27 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.51 3hr5 s TRP 107 N 0.33 2.43 1.06 2.71 0.52 -1.26 -0.58 118.94 124.13 3hr5 s TRP 107 Ca -0.13 -0.35 -0.18 0.00 0.02 0.00 0.00 56.10 55.47 3hr5 s TRP 107 Cb -0.16 -1.43 0.26 0.00 -1.15 0.00 0.00 33.47 30.98 3hr5 s TRP 107 CO 0.07 0.17 0.99 0.41 0.02 0.00 0.00 176.95 178.61 3hr5 n GLY 108 N 1.74 -2.57 0.00 0.98 0.00 -0.25 -4.76 105.19 100.33 3hr5 n GLY 108 Ca -0.17 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.47 3hr5 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hr5 n GLN 109 N -4.33 0.01 0.00 1.61 0.00 -1.25 -4.84 117.38 108.58 3hr5 n GLN 109 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 57.00 57.14 3hr5 n GLN 109 Cb 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.25 3hr5 n GLN 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hr5 n GLY 110 N 1.49 -0.50 3.15 2.61 0.00 -1.26 -5.02 105.19 105.67 3hr5 n GLY 110 Ca 0.07 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.07 1.59 -0.14 2.61 -1.32 -0.17 -4.81 115.64 110.33 3hr5 s THR 111 Ca 0.00 -0.79 -0.24 0.00 -1.21 0.00 0.00 61.69 59.45 3hr5 s THR 111 Cb 0.00 -1.38 -0.02 0.00 -1.51 0.00 0.00 72.50 69.59 3hr5 s THR 111 CO 0.00 0.45 0.75 -0.22 -2.21 0.00 0.00 174.62 173.39 3hr5 s LEU 112 N 0.14 4.21 -0.27 9.08 2.96 -1.26 0.04 118.68 133.58 3hr5 s LEU 112 Ca -0.08 1.11 -0.07 0.00 -0.22 0.00 0.00 54.13 54.87 3hr5 s LEU 112 Cb -0.14 -3.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.43 3hr5 s LEU 112 CO 0.04 -0.29 0.07 -0.69 -1.32 0.00 0.00 176.35 174.16 3hr5 s VAL 113 N 1.69 4.06 -0.27 1.68 1.01 -0.34 -2.78 120.40 125.44 3hr5 s VAL 113 Ca 0.36 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 3hr5 s VAL 113 Cb -0.17 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.23 3hr5 s VAL 113 CO 0.14 0.22 0.02 -0.89 0.00 0.00 0.00 175.10 174.58 3hr5 s THR 114 N 1.55 3.52 -0.44 3.92 2.01 -0.51 -2.36 115.64 123.32 3hr5 s THR 114 Ca 0.05 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.11 3hr5 s THR 114 Cb -0.16 -2.78 0.05 0.00 0.01 0.00 0.00 72.50 69.62 3hr5 s THR 114 CO 0.02 0.16 0.35 0.54 -0.69 0.00 0.00 174.62 175.00 3hr5 s VAL 115 N 1.44 5.21 0.06 3.82 0.11 -1.26 -0.92 120.40 128.85 3hr5 s VAL 115 Ca 0.02 -0.89 -0.26 0.00 -2.93 0.00 0.00 61.98 57.92 3hr5 s VAL 115 Cb -0.17 -4.01 0.07 0.00 -1.53 0.00 0.00 36.38 30.74 3hr5 s VAL 115 CO -0.01 -0.45 0.61 -0.55 -3.33 0.00 0.00 175.10 171.38 3hr5 s SER 116 N 2.16 -0.57 0.00 3.54 0.15 -0.67 -4.62 113.70 113.69 3hr5 s SER 116 Ca 0.04 0.31 0.22 0.00 0.70 0.00 0.00 55.95 57.23 3hr5 s SER 116 Cb -0.22 0.55 0.38 0.00 -1.71 0.00 0.00 66.02 65.02 3hr5 s SER 116 CO 0.08 -0.78 1.35 -1.54 1.20 0.00 0.00 173.24 173.56 3hr5 n SER 117 N 0.28 3.34 -4.77 5.45 3.41 -1.26 -3.34 113.62 116.73 3hr5 n SER 117 Ca -0.18 -1.97 -0.33 0.00 -0.26 0.00 0.00 58.87 56.13 3hr5 n SER 117 Cb 0.61 -0.21 0.05 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.51 2.47 0.05 7.33 0.00 -1.26 -5.02 121.76 123.82 3hr5 s ALA 118 Ca 0.36 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 3hr5 s ALA 118 Cb 0.22 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 3hr5 s ALA 118 CO 0.30 -1.27 0.48 -1.12 0.00 0.00 0.00 175.76 174.15 3hr5 s SER 119 N -2.57 6.90 0.15 0.00 0.01 -1.26 -5.03 113.70 111.90 3hr5 s SER 119 Ca 0.67 1.08 -0.31 0.00 1.31 0.00 0.00 55.95 58.70 3hr5 s SER 119 Cb -0.21 -2.29 -0.11 0.00 0.21 0.00 0.00 66.02 63.62 3hr5 s SER 119 CO 0.41 0.28 1.80 -0.89 0.41 0.00 0.00 173.24 175.25 3hr5 s THR 120 N -1.14 2.35 -0.03 1.44 2.01 -1.26 -4.77 115.64 114.23 3hr5 s THR 120 Ca 0.27 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.32 3hr5 s THR 120 Cb -0.17 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.33 3hr5 s THR 120 CO 0.16 0.00 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.29 3hr5 s LYS 121 N 2.20 0.79 0.49 4.92 2.20 0.57 -4.95 119.74 125.96 3hr5 s LYS 121 Ca 0.79 -0.15 -0.19 0.00 -0.36 0.00 0.00 55.97 56.06 3hr5 s LYS 121 Cb -0.47 -0.78 -0.09 0.00 -1.51 0.00 0.00 37.83 34.98 3hr5 s LYS 121 CO 0.35 -0.02 1.00 0.20 -0.36 0.00 0.00 175.35 176.52 3hr5 s GLY 122 N 0.64 2.34 0.61 5.54 0.00 -1.26 -0.39 107.32 114.81 3hr5 s GLY 122 Ca -0.09 0.43 -0.07 0.00 0.00 0.00 0.00 44.72 45.00 3hr5 s GLY 122 CO 0.00 0.73 0.93 2.56 0.00 0.00 0.00 173.10 177.33 3hr5 s PRO 123 N -3.47 2.91 -0.01 2.90 0.04 -1.26 -4.55 135.00 131.55 3hr5 s PRO 123 Ca 0.64 0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.75 3hr5 s PRO 123 Cb -0.13 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3hr5 s PRO 123 CO 0.22 -0.76 0.00 -1.12 0.04 0.00 0.00 177.00 175.39 3hr5 s SER 124 N -4.31 5.15 -0.15 6.66 0.01 -0.33 -4.95 113.70 115.77 3hr5 s SER 124 Ca 0.55 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.82 3hr5 s SER 124 Cb -0.11 -1.36 -0.00 0.00 0.21 0.00 0.00 66.02 64.76 3hr5 s SER 124 CO 0.46 0.29 -0.15 -0.69 0.41 0.00 0.00 173.24 173.57 3hr5 s VAL 125 N -1.07 2.75 0.10 3.43 1.01 -1.26 -0.90 120.40 124.46 3hr5 s VAL 125 Ca 0.19 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.51 3hr5 s VAL 125 Cb -0.11 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3hr5 s VAL 125 CO 0.09 0.51 -0.23 -0.36 0.00 0.00 0.00 175.10 175.12 3hr5 s PHE 126 N 0.75 1.99 0.33 5.22 0.08 -0.06 -4.95 117.98 121.35 3hr5 s PHE 126 Ca -0.06 -0.40 -0.22 0.00 0.12 0.00 0.00 56.93 56.37 3hr5 s PHE 126 Cb -0.15 -1.10 -0.10 0.00 -0.57 0.00 0.00 43.02 41.09 3hr5 s PHE 126 CO 0.01 0.23 0.87 -1.25 -0.10 0.00 0.00 175.22 174.98 3hr5 s PRO 127 N -1.83 4.32 -0.52 0.24 0.04 -1.26 0.10 135.00 136.09 3hr5 s PRO 127 Ca 0.09 1.07 -0.09 0.00 0.04 0.00 0.00 61.00 62.11 3hr5 s PRO 127 Cb -0.10 -2.58 0.13 0.00 0.04 0.00 0.00 34.50 32.00 3hr5 s PRO 127 CO 0.04 0.19 0.40 -0.51 0.04 0.00 0.00 177.00 177.17 3hr5 s LEU 128 N -2.51 5.78 0.03 -3.56 1.43 0.94 -4.81 118.68 115.98 3hr5 s LEU 128 Ca 0.53 -2.08 -0.19 0.00 -1.03 0.00 0.00 54.13 51.36 3hr5 s LEU 128 Cb -0.14 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.00 3hr5 s LEU 128 CO 0.19 -0.66 0.56 0.00 0.23 0.00 0.00 176.35 176.67 3hr5 s ALA 129 N 1.12 3.56 0.37 4.21 0.00 -1.26 -0.67 121.76 129.08 3hr5 s ALA 129 Ca 0.08 -0.00 -0.28 0.00 0.00 0.00 0.00 51.96 51.75 3hr5 s ALA 129 Cb -0.24 -2.65 -0.11 0.00 0.00 0.00 0.00 23.12 20.12 3hr5 s ALA 129 CO -0.02 0.30 1.51 -1.25 0.00 0.00 0.00 175.76 176.30 3hr5 s PRO 130 N -0.68 4.10 -0.07 0.00 0.04 -1.25 -4.70 135.00 132.43 3hr5 s PRO 130 Ca 0.29 2.59 -0.05 0.00 0.04 0.00 0.00 61.00 63.87 3hr5 s PRO 130 Cb -0.19 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.41 3hr5 s PRO 130 CO 0.17 -0.56 0.10 0.43 0.04 0.00 0.00 177.00 177.19 3hr5 n SER 131 N 0.58 -2.25 -4.67 6.66 7.64 -1.26 -4.71 113.62 115.61 3hr5 n SER 131 Ca 0.02 0.79 -0.39 0.00 1.01 0.00 0.00 58.87 60.30 3hr5 n SER 131 Cb 0.39 -3.29 -0.06 0.00 -1.01 0.00 0.00 64.21 60.24 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 -0.35 6.62 0.00 6.43 1.04 -1.26 -4.69 113.70 121.50 3hr5 s SER 132 Ca -0.12 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.06 3hr5 s SER 132 Cb 0.01 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.82 3hr5 s SER 132 CO 0.33 -0.17 0.00 1.17 0.98 0.00 0.00 173.24 175.54 3hr5 n LYS 133 N 4.64 0.00 -2.53 4.02 4.81 -1.26 -4.73 118.16 123.11 3hr5 n LYS 133 Ca -0.04 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.98 3hr5 n LYS 133 Cb 0.50 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.52 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 7.23 0.27 3.14 0.15 -1.26 -5.04 113.70 114.19 3hr5 s SER 134 Ca 0.00 1.97 0.08 0.00 0.70 0.00 0.00 55.95 58.70 3hr5 s SER 134 Cb 0.00 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 3hr5 s SER 134 CO 0.00 -0.31 0.14 0.28 1.20 0.00 0.00 173.24 174.56 3hr5 s THR 135 N 0.45 3.92 0.10 6.45 -1.32 -1.26 -4.64 115.64 119.34 3hr5 s THR 135 Ca 0.53 -1.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 3hr5 s THR 135 Cb -0.28 -3.18 0.00 0.00 -1.51 0.00 0.00 72.50 67.54 3hr5 s THR 135 CO 0.31 -0.32 0.00 -1.54 -2.21 0.00 0.00 174.62 170.86 3hr5 n SER 136 N -1.12 -2.24 0.00 8.08 3.41 -1.26 -5.10 113.62 115.39 3hr5 n SER 136 Ca -0.06 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3hr5 n SER 136 Cb 0.59 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 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 -2.07 0.15 0.75 5.00 0.00 -1.26 -4.99 105.19 102.76 3hr5 n GLY 137 Ca -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.16 3.25 -0.02 0.00 -1.26 -4.79 105.19 102.20 3hr5 n GLY 138 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.01 1.78 0.13 2.61 -1.32 -1.26 -1.73 115.64 113.84 3hr5 s THR 139 Ca -0.07 -0.96 0.07 0.00 -1.21 0.00 0.00 61.69 59.52 3hr5 s THR 139 Cb 0.01 -1.48 -0.04 0.00 -1.51 0.00 0.00 72.50 69.48 3hr5 s THR 139 CO 0.10 0.50 -0.15 0.00 -2.21 0.00 0.00 174.62 172.86 3hr5 s ALA 140 N -0.49 1.62 0.04 11.08 0.00 0.91 -4.76 121.76 130.15 3hr5 s ALA 140 Ca 0.08 -1.32 0.07 0.00 0.00 0.00 0.00 51.96 50.79 3hr5 s ALA 140 Cb -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3hr5 s ALA 140 CO -0.01 0.15 -0.20 0.00 0.00 0.00 0.00 175.76 175.71 3hr5 s ALA 141 N -2.00 2.52 0.26 0.00 0.00 -1.26 -0.39 121.76 120.88 3hr5 s ALA 141 Ca 0.10 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 3hr5 s ALA 141 Cb -0.06 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 3hr5 s ALA 141 CO 0.04 0.56 0.37 -0.48 0.00 0.00 0.00 175.76 176.25 3hr5 s LEU 142 N -1.36 0.75 0.00 0.00 0.05 -0.65 -3.76 118.68 113.70 3hr5 s LEU 142 Ca 0.14 -1.21 -0.01 0.00 0.05 0.00 0.00 54.13 53.11 3hr5 s LEU 142 Cb -0.10 1.26 0.00 0.00 -2.05 0.00 0.00 46.19 45.30 3hr5 s LEU 142 CO 0.04 -1.08 0.03 0.61 -0.55 0.00 0.00 176.35 175.40 3hr5 n GLY 143 N -0.39 0.63 2.99 -3.48 0.00 0.15 -0.61 105.19 104.48 3hr5 n GLY 143 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 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 0.60 4.05 -0.53 0.00 2.96 0.12 -0.94 118.68 124.94 3hr5 s LEU 145 Ca -0.11 0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.98 3hr5 s LEU 145 Cb -0.14 -2.35 0.14 0.00 0.50 0.00 0.00 46.19 44.33 3hr5 s LEU 145 CO 0.02 -0.13 0.37 -0.69 -1.32 0.00 0.00 176.35 174.60 3hr5 s VAL 146 N 1.87 3.95 -0.11 1.68 1.01 0.94 -0.88 120.40 128.88 3hr5 s VAL 146 Ca 0.13 -2.26 -0.01 0.00 0.00 0.00 0.00 61.98 59.85 3hr5 s VAL 146 Cb -0.16 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3hr5 s VAL 146 CO 0.10 -0.81 -0.06 -0.75 0.00 0.00 0.00 175.10 173.57 3hr5 s LYS 147 N 0.79 3.14 -0.26 2.72 2.20 -0.08 -0.91 119.74 127.34 3hr5 s LYS 147 Ca 0.11 -0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 55.15 3hr5 s LYS 147 Cb -0.22 -2.71 -0.02 0.00 -1.51 0.00 0.00 37.83 33.38 3hr5 s LYS 147 CO -0.03 0.47 0.23 -0.25 -0.36 0.00 0.00 175.35 175.40 3hr5 n ASP 148 N 2.82 -3.25 -4.31 1.43 8.00 0.06 -1.19 116.55 120.12 3hr5 n ASP 148 Ca -0.18 -0.16 -0.16 0.00 0.71 0.00 0.00 54.79 55.00 3hr5 n ASP 148 Cb 0.53 -1.78 -0.10 0.00 -0.02 0.00 0.00 41.12 39.75 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 -3.08 1.47 -0.28 1.24 1.13 -0.83 -4.14 117.35 112.87 3hr5 s TYR 149 Ca 0.10 -0.87 -0.25 0.00 -1.41 0.00 0.00 57.07 54.64 3hr5 s TYR 149 Cb -0.01 -0.82 0.12 0.00 -1.10 0.00 0.00 41.96 40.14 3hr5 s TYR 149 CO 0.19 0.01 0.99 0.12 -2.51 0.00 0.00 175.55 174.35 3hr5 s PHE 150 N -3.38 -0.51 0.00 -3.49 2.19 0.48 -0.02 117.98 113.25 3hr5 s PHE 150 Ca 0.25 1.23 0.00 0.00 0.33 0.00 0.00 56.93 58.74 3hr5 s PHE 150 Cb 0.05 0.35 0.00 0.00 -1.31 0.00 0.00 43.02 42.11 3hr5 s PHE 150 CO 0.06 -0.25 0.00 -0.35 1.83 0.00 0.00 175.22 176.51 3hr5 n PRO 151 N 2.21 1.29 -2.09 10.12 -0.04 -1.26 -0.32 135.00 144.91 3hr5 n PRO 151 Ca -0.13 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.04 3hr5 n PRO 151 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.00 3.49 0.53 0.54 0.41 -1.26 -4.79 118.70 117.62 3hr5 s GLU 152 Ca 0.00 0.55 0.09 0.00 -0.41 0.00 0.00 54.97 55.20 3hr5 s GLU 152 Cb 0.00 -2.16 0.06 0.00 -1.78 0.00 0.00 34.13 30.25 3hr5 s GLU 152 CO 0.00 -0.53 0.70 -1.25 -0.49 0.00 0.00 175.26 173.70 3hr5 s PRO 153 N -5.08 2.43 0.02 0.39 0.04 -1.26 -4.95 135.00 126.59 3hr5 s PRO 153 Ca 0.53 -1.57 0.05 0.00 0.04 0.00 0.00 61.00 60.05 3hr5 s PRO 153 Cb -0.11 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 3hr5 s PRO 153 CO 0.51 -0.69 -0.16 0.54 0.04 0.00 0.00 177.00 177.24 3hr5 s VAL 154 N -2.60 1.23 -0.12 -0.36 0.11 -1.26 -4.51 120.40 112.89 3hr5 s VAL 154 Ca 0.58 -0.88 -0.02 0.00 -2.93 0.00 0.00 61.98 58.73 3hr5 s VAL 154 Cb -0.06 -1.07 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 3hr5 s VAL 154 CO 0.36 0.18 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.38 3hr5 s THR 155 N -0.63 3.90 -0.11 5.04 2.01 0.21 -4.97 115.64 121.09 3hr5 s THR 155 Ca 0.04 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 3hr5 s THR 155 Cb -0.07 -2.67 0.04 0.00 0.01 0.00 0.00 72.50 69.81 3hr5 s THR 155 CO 0.01 0.54 0.00 -0.69 -0.69 0.00 0.00 174.62 173.79 3hr5 s VAL 156 N -0.13 0.48 0.35 3.82 1.01 -1.26 -1.10 120.40 123.58 3hr5 s VAL 156 Ca 0.03 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 61.98 3hr5 s VAL 156 Cb -0.13 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.46 3hr5 s VAL 156 CO 0.02 0.13 0.02 -0.94 0.00 0.00 0.00 175.10 174.34 3hr5 s SER 157 N 1.91 4.12 -0.06 3.32 1.04 -0.65 -4.96 113.70 118.42 3hr5 s SER 157 Ca 0.03 -1.06 0.05 0.00 0.48 0.00 0.00 55.95 55.45 3hr5 s SER 157 Cb -0.14 -0.49 -0.00 0.00 0.10 0.00 0.00 66.02 65.49 3hr5 s SER 157 CO -0.06 -0.29 -0.20 0.26 0.98 0.00 0.00 173.24 173.93 3hr5 s TRP 158 N -2.56 2.03 -1.36 5.02 0.52 -1.26 -0.53 118.94 120.80 3hr5 s TRP 158 Ca 0.35 -0.64 -0.10 0.00 0.02 0.00 0.00 56.10 55.74 3hr5 s TRP 158 Cb 0.02 -1.36 0.01 0.00 -1.15 0.00 0.00 33.47 30.99 3hr5 s TRP 158 CO 0.19 -0.22 0.42 0.09 0.02 0.00 0.00 176.95 177.45 3hr5 n ASN 159 N 3.17 -1.51 -4.17 2.95 3.02 0.15 -1.59 115.26 117.28 3hr5 n ASN 159 Ca -0.18 -1.13 -0.36 0.00 -0.03 0.00 0.00 54.58 52.88 3hr5 n ASN 159 Cb 0.53 -2.48 -0.03 0.00 -0.61 0.00 0.00 39.78 37.19 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 -2.76 -3.18 0.00 6.41 7.64 -1.26 -0.32 113.62 120.14 3hr5 n SER 160 Ca -0.24 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.67 3hr5 n SER 160 Cb 0.65 -2.62 0.00 0.00 -1.01 0.00 0.00 64.21 61.23 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 -1.32 1.07 0.20 0.23 0.00 -0.62 -4.93 105.19 99.82 3hr5 n GLY 161 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 0.96 -3.28 4.61 0.00 -0.55 -3.40 119.26 117.60 3hr5 h ALA 162 Ca 0.00 -0.28 -0.69 0.00 0.00 0.00 0.00 54.91 53.94 3hr5 h ALA 162 Cb 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 17.79 17.42 3hr5 h ALA 162 CO 0.00 0.38 -0.62 -1.17 0.00 0.00 0.00 179.25 177.84 3hr5 s LEU 163 N -6.82 4.42 0.00 0.00 2.96 -0.97 -4.88 118.68 113.39 3hr5 s LEU 163 Ca 0.01 -1.43 0.00 0.00 -0.22 0.00 0.00 54.13 52.49 3hr5 s LEU 163 Cb 0.10 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3hr5 s LEU 163 CO 0.67 -0.36 0.00 0.35 -1.32 0.00 0.00 176.35 175.68 3hr5 n THR 164 N 4.69 0.00 -2.85 3.68 -2.24 -1.26 -4.15 114.28 112.15 3hr5 n THR 164 Ca -0.10 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 3hr5 n THR 164 Cb 0.43 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 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 -2.07 7.04 0.00 3.42 0.01 -1.26 -3.20 113.70 117.64 3hr5 s SER 165 Ca 0.00 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.54 3hr5 s SER 165 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3hr5 s SER 165 CO 0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88 3hr5 n GLY 166 N 3.32 0.53 3.68 3.44 0.00 -1.26 -4.80 105.19 110.09 3hr5 n GLY 166 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.21 4.82 -0.29 1.61 1.01 -1.19 -3.27 120.40 120.89 3hr5 s VAL 167 Ca 0.00 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.84 3hr5 s VAL 167 Cb 0.00 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 32.23 3hr5 s VAL 167 CO 0.00 0.00 -0.03 -1.00 0.00 0.00 0.00 175.10 174.07 3hr5 s HIS 168 N 2.17 3.12 -0.32 5.22 3.76 0.11 -4.99 115.29 124.36 3hr5 s HIS 168 Ca 0.43 -2.39 -0.17 0.00 -0.15 0.00 0.00 55.06 52.79 3hr5 s HIS 168 Cb -0.17 -2.18 -0.01 0.00 1.11 0.00 0.00 32.58 31.33 3hr5 s HIS 168 CO 0.14 -0.88 0.44 0.99 -0.85 0.00 0.00 174.74 174.58 3hr5 s THR 169 N 1.14 5.10 0.53 1.30 2.01 -1.26 -0.90 115.64 123.55 3hr5 s THR 169 Ca 0.00 0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.19 3hr5 s THR 169 Cb -0.19 -3.86 -0.07 0.00 0.01 0.00 0.00 72.50 68.39 3hr5 s THR 169 CO -0.08 -0.08 0.98 -0.36 -0.69 0.00 0.00 174.62 174.39 3hr5 s PHE 170 N 2.21 3.49 0.34 4.92 0.40 -0.67 -5.01 117.98 123.65 3hr5 s PHE 170 Ca 0.16 1.41 -0.27 0.00 -0.60 0.00 0.00 56.93 57.63 3hr5 s PHE 170 Cb -0.16 -2.76 -0.13 0.00 0.51 0.00 0.00 43.02 40.49 3hr5 s PHE 170 CO 0.12 -0.42 1.06 -2.30 0.70 0.00 0.00 175.22 174.38 3hr5 n PRO 171 N -1.80 1.51 -2.10 0.24 -0.02 -1.26 -4.63 135.00 126.94 3hr5 n PRO 171 Ca 0.06 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.70 3hr5 n PRO 171 Cb 0.54 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 -1.13 3.02 -0.06 3.55 0.00 -1.26 -4.80 121.76 121.08 3hr5 s ALA 172 Ca 0.59 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.67 3hr5 s ALA 172 Cb -0.63 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.01 3hr5 s ALA 172 CO 0.60 -0.85 -0.09 0.14 0.00 0.00 0.00 175.76 175.55 3hr5 s VAL 173 N -1.41 3.51 -0.36 0.00 -7.23 -0.44 -4.93 120.40 109.54 3hr5 s VAL 173 Ca 0.63 -0.57 -0.24 0.00 -1.81 0.00 0.00 61.98 59.99 3hr5 s VAL 173 Cb -0.34 -2.42 0.01 0.00 0.56 0.00 0.00 36.38 34.19 3hr5 s VAL 173 CO 0.42 0.58 0.85 -0.22 -0.31 0.00 0.00 175.10 176.42 3hr5 s LEU 174 N -0.83 4.07 0.85 1.32 0.20 -1.26 -1.62 118.68 121.41 3hr5 s LEU 174 Ca 0.12 0.48 -0.12 0.00 0.69 0.00 0.00 54.13 55.30 3hr5 s LEU 174 Cb -0.11 -3.14 0.10 0.00 -0.43 0.00 0.00 46.19 42.62 3hr5 s LEU 174 CO 0.01 -0.78 1.13 -1.10 -0.29 0.00 0.00 176.35 175.32 3hr5 s GLN 175 N 3.26 1.62 0.00 1.98 -0.21 -0.43 -4.94 119.66 120.94 3hr5 s GLN 175 Ca 0.34 0.38 0.22 0.00 0.02 0.00 0.00 55.36 56.33 3hr5 s GLN 175 Cb -0.13 -1.89 1.05 0.00 1.00 0.00 0.00 33.01 33.04 3hr5 s GLN 175 CO 0.17 -1.89 1.72 -1.13 -2.12 0.00 0.00 175.29 172.05 3hr5 n SER 176 N -3.57 0.00 0.04 5.90 3.41 -1.26 -1.24 113.62 116.90 3hr5 n SER 176 Ca 0.07 0.21 0.13 0.00 -0.26 0.00 0.00 58.87 59.01 3hr5 n SER 176 Cb 0.58 -0.38 0.52 0.00 -0.26 0.00 0.00 64.21 64.67 3hr5 n SER 176 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hr5 n SER 177 N -1.38 0.29 0.00 4.04 3.41 -1.26 -4.91 113.62 113.80 3hr5 n SER 177 Ca 0.08 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3hr5 n SER 177 Cb 0.21 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 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 1.23 0.54 3.44 5.00 0.00 -0.37 -5.06 105.19 109.97 3hr5 n GLY 178 Ca 0.06 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 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 2.57 0.54 0.99 1.02 -1.25 -4.92 118.68 117.64 3hr5 s LEU 179 Ca 0.00 -0.26 -0.11 0.00 0.02 0.00 0.00 54.13 53.78 3hr5 s LEU 179 Cb 0.00 -1.50 -0.05 0.00 0.02 0.00 0.00 46.19 44.66 3hr5 s LEU 179 CO 0.00 0.34 0.93 -0.31 0.02 0.00 0.00 176.35 177.33 3hr5 s TYR 180 N -0.70 3.56 -0.12 0.29 2.02 0.97 -1.32 117.35 122.06 3hr5 s TYR 180 Ca 0.11 1.18 -0.07 0.00 -0.37 0.00 0.00 57.07 57.92 3hr5 s TYR 180 Cb -0.10 -2.60 0.04 0.00 -0.40 0.00 0.00 41.96 38.90 3hr5 s TYR 180 CO 0.00 -0.46 0.28 0.45 -1.57 0.00 0.00 175.55 174.25 3hr5 s SER 181 N -3.84 -0.31 0.32 2.29 0.15 -0.64 -0.76 113.70 110.90 3hr5 s SER 181 Ca 0.53 0.59 0.03 0.00 0.70 0.00 0.00 55.95 57.81 3hr5 s SER 181 Cb -0.11 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 3hr5 s SER 181 CO 0.45 -0.16 0.15 -1.48 1.20 0.00 0.00 173.24 173.40 3hr5 s LEU 182 N 1.07 1.74 0.01 3.45 0.05 -0.09 -1.33 118.68 123.59 3hr5 s LEU 182 Ca -0.08 -1.56 0.03 0.00 0.05 0.00 0.00 54.13 52.57 3hr5 s LEU 182 Cb -0.08 0.13 -0.01 0.00 -2.05 0.00 0.00 46.19 44.17 3hr5 s LEU 182 CO -0.08 -0.87 -0.08 -0.55 -0.55 0.00 0.00 176.35 174.22 3hr5 s SER 183 N -3.40 0.96 -0.06 1.48 0.15 -1.26 -0.04 113.70 111.53 3hr5 s SER 183 Ca 0.34 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.76 3hr5 s SER 183 Cb 0.05 -0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.30 3hr5 s SER 183 CO 0.17 0.02 -0.13 -0.55 1.20 0.00 0.00 173.24 173.95 3hr5 s SER 184 N -0.58 1.81 0.18 5.45 0.15 -0.11 -1.68 113.70 118.92 3hr5 s SER 184 Ca 0.00 -0.30 0.05 0.00 0.70 0.00 0.00 55.95 56.40 3hr5 s SER 184 Cb -0.05 -0.73 -0.05 0.00 -1.71 0.00 0.00 66.02 63.48 3hr5 s SER 184 CO 0.00 0.06 -0.09 0.68 1.20 0.00 0.00 173.24 175.10 3hr5 s VAL 185 N 0.47 1.26 -0.11 4.45 -7.23 -0.08 -0.48 120.40 118.69 3hr5 s VAL 185 Ca -0.11 -2.09 -0.07 0.00 -1.81 0.00 0.00 61.98 57.90 3hr5 s VAL 185 Cb -0.14 -2.02 0.04 0.00 0.56 0.00 0.00 36.38 34.82 3hr5 s VAL 185 CO 0.03 -0.61 0.27 0.54 -0.31 0.00 0.00 175.10 175.02 3hr5 s VAL 186 N -3.27 -0.02 0.08 1.32 0.11 0.22 -0.71 120.40 118.12 3hr5 s VAL 186 Ca 0.21 0.09 -0.18 0.00 -2.93 0.00 0.00 61.98 59.16 3hr5 s VAL 186 Cb 0.03 -0.40 -0.07 0.00 -1.53 0.00 0.00 36.38 34.41 3hr5 s VAL 186 CO 0.04 0.04 0.56 0.42 -3.33 0.00 0.00 175.10 172.82 3hr5 s THR 187 N 0.86 4.77 0.08 5.04 -4.23 -1.20 -1.64 115.64 119.32 3hr5 s THR 187 Ca -0.06 1.14 -0.10 0.00 -1.18 0.00 0.00 61.69 61.49 3hr5 s THR 187 Cb -0.07 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.91 3hr5 s THR 187 CO -0.06 0.51 0.21 0.68 -0.54 0.00 0.00 174.62 175.42 3hr5 s VAL 188 N -1.16 0.13 0.33 2.29 -7.23 0.48 -4.72 120.40 110.51 3hr5 s VAL 188 Ca 0.30 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 59.12 3hr5 s VAL 188 Cb -0.19 -1.23 -0.12 0.00 0.56 0.00 0.00 36.38 35.40 3hr5 s VAL 188 CO 0.19 -0.59 1.43 -2.65 -0.31 0.00 0.00 175.10 173.17 3hr5 n PRO 189 N 0.08 2.41 -0.21 4.82 -0.02 -1.26 -0.06 135.00 140.75 3hr5 n PRO 189 Ca -0.16 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3hr5 n PRO 189 Cb 0.62 -2.53 0.11 0.00 -0.02 0.00 0.00 33.50 31.68 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 3.38 0.27 0.19 2.55 0.02 -1.63 -2.54 113.55 115.78 3hr5 h SER 190 Ca -0.48 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 3hr5 h SER 190 Cb 1.26 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 3hr5 h SER 190 CO 0.68 0.16 -0.11 0.77 -1.14 0.00 0.00 176.83 177.19 3hr5 h SER 191 N 0.44 0.00 0.93 3.07 4.64 -1.87 -2.25 113.55 118.51 3hr5 h SER 191 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3hr5 h SER 191 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3hr5 h SER 191 CO -0.30 0.11 0.00 0.77 -0.87 0.00 0.00 176.83 176.55 3hr5 h SER 192 N 0.00 0.00 -3.20 4.97 4.64 -1.83 -3.42 113.55 114.71 3hr5 h SER 192 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3hr5 h SER 192 Cb 0.24 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.39 3hr5 h SER 192 CO 0.01 0.00 0.81 -0.76 -0.87 0.00 0.00 176.83 176.03 3hr5 s LEU 193 N -4.67 4.38 0.00 5.97 1.43 -0.85 -0.14 118.68 124.80 3hr5 s LEU 193 Ca 0.05 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 3hr5 s LEU 193 Cb 0.10 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3hr5 s LEU 193 CO 0.45 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.88 3hr5 n GLY 194 N 2.69 2.13 0.00 -3.19 0.00 -1.26 -4.64 105.19 100.93 3hr5 n GLY 194 Ca 0.09 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.00 -4.54 2.61 -2.24 -1.12 -4.66 114.28 104.33 3hr5 n THR 195 Ca 0.00 -0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 3hr5 n THR 195 Cb 0.00 -0.33 -0.17 0.00 -2.10 0.00 0.00 70.33 67.74 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 -2.99 1.95 0.15 -0.78 -1.52 0.81 -5.08 119.66 112.19 3hr5 s GLN 196 Ca 0.14 -0.48 -0.13 0.00 -1.95 0.00 0.00 55.36 52.94 3hr5 s GLN 196 Cb 0.19 -1.64 -0.07 0.00 -0.22 0.00 0.00 33.01 31.27 3hr5 s GLN 196 CO 0.57 -0.01 0.52 0.95 -0.25 0.00 0.00 175.29 177.07 3hr5 s THR 197 N 0.83 4.91 -0.18 -0.19 -4.23 -1.26 -4.68 115.64 110.83 3hr5 s THR 197 Ca -0.11 0.72 0.01 0.00 -1.18 0.00 0.00 61.69 61.12 3hr5 s THR 197 Cb -0.15 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 70.02 3hr5 s THR 197 CO 0.02 0.21 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.89 3hr5 s TYR 198 N -1.50 2.23 -0.15 3.99 2.02 -1.26 -4.98 117.35 117.70 3hr5 s TYR 198 Ca 0.38 -1.41 -0.01 0.00 -0.37 0.00 0.00 57.07 55.66 3hr5 s TYR 198 Cb -0.14 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.83 3hr5 s TYR 198 CO 0.19 -0.70 -0.11 0.42 -1.57 0.00 0.00 175.55 173.78 3hr5 s ILE 199 N 1.46 3.14 -0.09 2.71 1.09 -1.26 -0.76 121.20 127.49 3hr5 s ILE 199 Ca 0.01 -0.61 -0.13 0.00 -1.10 0.00 0.00 60.65 58.82 3hr5 s ILE 199 Cb -0.15 -2.35 -0.05 0.00 -1.06 0.00 0.00 42.46 38.85 3hr5 s ILE 199 CO -0.09 0.50 0.30 0.00 -0.10 0.00 0.00 174.94 175.56 3hr5 s ASN 201 N -0.41 4.93 -0.14 0.00 -0.87 0.31 -1.01 114.94 117.75 3hr5 s ASN 201 Ca 0.19 -0.77 -0.02 0.00 -1.57 0.00 0.00 52.86 50.69 3hr5 s ASN 201 Cb -0.14 -1.82 -0.02 0.00 -0.02 0.00 0.00 41.25 39.24 3hr5 s ASN 201 CO 0.07 -0.18 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.64 3hr5 s VAL 202 N 1.45 3.42 -0.06 1.60 1.01 0.14 -1.64 120.40 126.32 3hr5 s VAL 202 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3hr5 s VAL 202 Cb -0.17 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.77 3hr5 s VAL 202 CO 0.01 0.52 -0.05 0.21 0.00 0.00 0.00 175.10 175.78 3hr5 s ASN 203 N 0.30 1.40 -0.40 3.32 3.84 -0.26 -0.43 114.94 122.71 3hr5 s ASN 203 Ca -0.07 -0.17 0.02 0.00 0.21 0.00 0.00 52.86 52.85 3hr5 s ASN 203 Cb -0.15 -0.56 0.12 0.00 -0.55 0.00 0.00 41.25 40.11 3hr5 s ASN 203 CO 0.04 -0.08 0.17 -2.28 -2.79 0.00 0.00 177.10 172.16 3hr5 s HIS 204 N 1.24 2.48 0.27 0.43 5.65 0.62 -0.62 115.29 125.36 3hr5 s HIS 204 Ca -0.06 -2.49 0.03 0.00 0.25 0.00 0.00 55.06 52.79 3hr5 s HIS 204 Cb -0.14 -2.21 0.38 0.00 -1.18 0.00 0.00 32.58 29.42 3hr5 s HIS 204 CO -0.02 -0.83 1.68 0.87 -0.65 0.00 0.00 174.74 175.79 3hr5 h LYS 205 N 7.22 0.43 -0.97 2.88 1.57 -1.82 -1.39 116.57 124.48 3hr5 h LYS 205 Ca -0.06 -0.19 0.18 0.00 -1.87 0.00 0.00 60.65 58.71 3hr5 h LYS 205 Cb 0.96 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.17 3hr5 h LYS 205 CO 0.52 0.71 0.61 -1.35 -0.57 0.00 0.00 179.45 179.38 3hr5 h PRO 206 N 0.36 0.69 -0.06 3.15 0.11 -1.92 -2.77 132.00 131.55 3hr5 h PRO 206 Ca 0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3hr5 h PRO 206 Cb 0.77 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.73 3hr5 h PRO 206 CO 0.06 0.45 0.00 -1.13 -0.21 0.00 0.00 178.00 177.17 3hr5 n SER 207 N -4.66 2.39 -2.43 -2.05 3.41 -1.12 -4.99 113.62 104.17 3hr5 n SER 207 Ca 0.21 -1.68 -0.17 0.00 -0.26 0.00 0.00 58.87 56.97 3hr5 n SER 207 Cb 0.56 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.88 -5.12 -4.55 4.04 4.13 -0.70 -4.93 115.26 109.01 3hr5 n ASN 208 Ca 0.10 -0.25 -0.39 0.00 1.68 0.00 0.00 54.58 55.72 3hr5 n ASN 208 Cb 0.40 -3.93 -0.11 0.00 -1.54 0.00 0.00 39.78 34.60 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 -3.06 5.21 -0.11 3.41 2.01 -0.61 -4.97 115.64 117.52 3hr5 s THR 209 Ca 0.26 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.24 3hr5 s THR 209 Cb -0.12 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.84 3hr5 s THR 209 CO 0.33 0.14 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.51 3hr5 s LYS 210 N 1.73 2.10 -0.03 4.92 2.20 -1.26 -0.27 119.74 129.12 3hr5 s LYS 210 Ca 0.06 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.16 3hr5 s LYS 210 Cb -0.17 -1.85 0.03 0.00 -1.51 0.00 0.00 37.83 34.34 3hr5 s LYS 210 CO 0.10 -0.11 0.04 0.08 -0.36 0.00 0.00 175.35 175.10 3hr5 s VAL 211 N 1.14 -0.05 -0.37 4.02 1.01 0.43 -4.98 120.40 121.61 3hr5 s VAL 211 Ca -0.04 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 3hr5 s VAL 211 Cb -0.14 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.11 3hr5 s VAL 211 CO -0.04 0.14 0.23 -1.81 0.00 0.00 0.00 175.10 173.62 3hr5 s ASP 212 N 1.57 5.85 -0.21 3.32 1.01 -1.26 0.25 116.67 127.21 3hr5 s ASP 212 Ca -0.03 -0.82 -0.02 0.00 0.71 0.00 0.00 52.55 52.39 3hr5 s ASP 212 Cb -0.13 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.73 3hr5 s ASP 212 CO -0.03 -0.35 -0.09 -0.75 0.21 0.00 0.00 175.17 174.15 3hr5 s LYS 213 N 1.62 3.25 0.09 8.23 2.47 -0.18 -4.95 119.74 130.27 3hr5 s LYS 213 Ca 0.04 -0.69 -0.30 0.00 -1.56 0.00 0.00 55.97 53.45 3hr5 s LYS 213 Cb -0.19 -2.87 -0.06 0.00 -1.46 0.00 0.00 37.83 33.26 3hr5 s LYS 213 CO 0.08 -0.20 1.13 0.21 0.16 0.00 0.00 175.35 176.73 3hr5 s LYS 214 N 1.41 4.50 -0.14 4.03 2.20 -1.26 -1.56 119.74 128.92 3hr5 s LYS 214 Ca 0.05 1.70 0.02 0.00 -0.36 0.00 0.00 55.97 57.38 3hr5 s LYS 214 Cb -0.14 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.84 3hr5 s LYS 214 CO -0.06 -0.12 -0.20 0.08 -0.36 0.00 0.00 175.35 174.69 3hr5 s VAL 215 N 0.65 2.24 0.23 4.02 1.01 0.06 -4.90 120.40 123.71 3hr5 s VAL 215 Ca 0.55 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 3hr5 s VAL 215 Cb -0.28 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 3hr5 s VAL 215 CO 0.31 0.54 0.44 -1.61 0.00 0.00 0.00 175.10 174.78 3hr5 s GLU 216 N 0.81 1.48 1.01 2.72 0.41 -1.26 -4.16 118.70 119.71 3hr5 s GLU 216 Ca -0.07 -1.23 -0.14 0.00 -0.41 0.00 0.00 54.97 53.13 3hr5 s GLU 216 Cb -0.15 0.45 0.19 0.00 -1.78 0.00 0.00 34.13 32.84 3hr5 s GLU 216 CO -0.01 -0.60 1.11 -2.14 -0.49 0.00 0.00 175.26 173.13 3hr5 s PRO 217 N -4.01 0.31 0.00 0.39 0.02 -1.26 -4.46 135.00 125.99 3hr5 s PRO 217 Ca 0.22 0.32 0.00 0.00 0.02 0.00 0.00 61.00 61.56 3hr5 s PRO 217 Cb 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.78 3hr5 s PRO 217 CO 0.07 -2.77 0.00 0.36 -0.33 0.00 0.00 177.00 174.34 3hr5 n LYS 218 N -4.17 0.12 0.27 5.54 2.85 -1.26 -5.05 118.16 116.47 3hr5 n LYS 218 Ca 0.07 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.22 3hr5 n LYS 218 Cb 0.58 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.91 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 -0.59 -0.01 -5.58 0.87 -2.01 -3.53 113.55 102.69 3hr5 h SER 219 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3hr5 h SER 219 Cb 0.00 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3hr5 h SER 219 CO 0.00 -0.35 0.00 0.00 -0.53 0.00 0.00 176.83 175.95