#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 4.29 0.04 2.62 1.01 -1.26 -3.63 120.40 123.47 3hr5 s VAL 2 Ca 0.00 1.51 0.02 0.00 0.00 0.00 0.00 61.98 63.50 3hr5 s VAL 2 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3hr5 s VAL 2 CO 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 175.10 174.69 3hr5 s GLN 3 N 3.79 0.51 -0.08 2.72 -2.07 -0.56 -5.01 119.66 118.97 3hr5 s GLN 3 Ca 0.53 -0.80 0.01 0.00 -1.82 0.00 0.00 55.36 53.28 3hr5 s GLN 3 Cb -0.17 -0.18 0.02 0.00 -1.09 0.00 0.00 33.01 31.58 3hr5 s GLN 3 CO 0.18 0.02 -0.08 -0.51 -1.32 0.00 0.00 175.29 173.57 3hr5 s LEU 4 N -1.74 1.33 -0.14 2.60 2.01 -1.26 -1.61 118.68 119.88 3hr5 s LEU 4 Ca -0.09 -0.25 0.01 0.00 0.01 0.00 0.00 54.13 53.81 3hr5 s LEU 4 Cb -0.08 -0.72 0.02 0.00 0.01 0.00 0.00 46.19 45.42 3hr5 s LEU 4 CO -0.01 -0.06 -0.14 -0.69 1.01 0.00 0.00 176.35 176.47 3hr5 s VAL 5 N 1.19 1.54 0.01 -1.59 1.01 -0.10 -4.09 120.40 118.36 3hr5 s VAL 5 Ca -0.05 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 3hr5 s VAL 5 Cb -0.14 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3hr5 s VAL 5 CO -0.02 0.45 0.36 -1.61 0.00 0.00 0.00 175.10 174.28 3hr5 s GLU 6 N 1.41 3.78 0.10 2.72 8.01 -1.26 0.02 118.70 133.48 3hr5 s GLU 6 Ca 0.03 0.24 0.01 0.00 0.01 0.00 0.00 54.97 55.25 3hr5 s GLU 6 Cb -0.13 -3.14 -0.04 0.00 -4.31 0.00 0.00 34.13 26.50 3hr5 s GLU 6 CO -0.09 0.66 -0.03 -1.12 0.01 0.00 0.00 175.26 174.69 3hr5 s SER 7 N -1.31 0.88 0.00 -0.19 0.01 0.13 -4.69 113.70 108.54 3hr5 s SER 7 Ca 0.25 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.46 3hr5 s SER 7 Cb -0.15 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.23 3hr5 s SER 7 CO 0.14 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.85 3hr5 n GLY 8 N -0.03 1.17 3.66 3.44 0.00 -1.26 -0.37 105.19 111.80 3hr5 n GLY 8 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.03 1.56 0.00 -0.02 0.00 -1.26 -4.75 107.32 100.82 3hr5 s GLY 9 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3hr5 s GLY 9 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.92 3hr5 n GLY 10 N -1.02 -1.35 3.66 0.20 0.00 0.42 -4.91 105.19 102.19 3hr5 n GLY 10 Ca 0.06 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 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 4.14 0.06 0.99 2.96 -1.26 -0.93 118.68 124.63 3hr5 s LEU 11 Ca 0.00 0.54 0.07 0.00 -0.22 0.00 0.00 54.13 54.52 3hr5 s LEU 11 Cb 0.00 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 3hr5 s LEU 11 CO 0.00 -0.12 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.02 3hr5 s VAL 12 N 1.51 1.54 0.44 1.68 1.01 -0.16 -4.99 120.40 121.44 3hr5 s VAL 12 Ca 0.20 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 60.70 3hr5 s VAL 12 Cb -0.15 -1.37 -0.08 0.00 0.00 0.00 0.00 36.38 34.78 3hr5 s VAL 12 CO 0.09 0.09 1.28 -1.10 0.00 0.00 0.00 175.10 175.46 3hr5 s GLN 13 N -1.34 3.77 0.25 2.72 -1.52 -1.25 -1.22 119.66 121.06 3hr5 s GLN 13 Ca 0.06 2.08 -0.31 0.00 -1.95 0.00 0.00 55.36 55.24 3hr5 s GLN 13 Cb -0.09 -2.58 -0.13 0.00 -0.22 0.00 0.00 33.01 29.99 3hr5 s GLN 13 CO 0.02 -0.63 1.44 -2.30 -0.25 0.00 0.00 175.29 173.56 3hr5 n PRO 14 N -0.23 2.15 0.00 2.91 -0.02 -1.26 -0.75 135.00 137.79 3hr5 n PRO 14 Ca 0.06 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3hr5 n PRO 14 Cb 0.45 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3hr5 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hr5 n GLY 15 N 2.14 2.09 3.95 -1.23 0.00 0.12 -4.92 105.19 107.35 3hr5 n GLY 15 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3hr5 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hr5 s GLY 16 N -1.96 1.78 0.06 -0.02 0.00 0.07 -4.14 107.32 103.12 3hr5 s GLY 16 Ca 0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 44.72 43.37 3hr5 s GLY 16 CO 0.00 -0.60 -0.04 -1.35 0.00 0.00 0.00 173.10 171.10 3hr5 s SER 17 N -4.88 0.69 -0.10 1.64 1.04 -1.26 -1.34 113.70 109.49 3hr5 s SER 17 Ca 0.73 -0.96 -0.10 0.00 0.48 0.00 0.00 55.95 56.10 3hr5 s SER 17 Cb -0.04 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.27 3hr5 s SER 17 CO 0.51 -0.53 0.28 -0.76 0.98 0.00 0.00 173.24 173.73 3hr5 s LEU 18 N -2.83 0.92 -0.24 2.42 1.43 -0.60 -5.01 118.68 114.77 3hr5 s LEU 18 Ca 0.07 0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 53.60 3hr5 s LEU 18 Cb 0.06 1.00 -0.03 0.00 0.03 0.00 0.00 46.19 47.25 3hr5 s LEU 18 CO -0.08 -0.14 0.06 -0.60 0.23 0.00 0.00 176.35 175.83 3hr5 s ARG 19 N -0.03 3.69 0.09 1.70 3.52 -1.26 -0.92 118.95 125.75 3hr5 s ARG 19 Ca -0.02 -0.46 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 3hr5 s ARG 19 Cb -0.02 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 30.01 3hr5 s ARG 19 CO 0.01 -0.12 0.43 -0.51 -0.81 0.00 0.00 175.30 174.30 3hr5 s LEU 20 N 1.41 4.34 0.15 -0.88 1.02 0.29 -4.58 118.68 120.44 3hr5 s LEU 20 Ca 0.05 0.84 0.09 0.00 0.02 0.00 0.00 54.13 55.13 3hr5 s LEU 20 Cb -0.15 -3.04 -0.04 0.00 0.02 0.00 0.00 46.19 42.98 3hr5 s LEU 20 CO 0.03 0.16 -0.17 -0.44 0.02 0.00 0.00 176.35 175.95 3hr5 s SER 21 N -1.77 3.90 -0.18 2.29 0.01 0.51 -1.36 113.70 117.10 3hr5 s SER 21 Ca 0.34 -0.62 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 3hr5 s SER 21 Cb -0.14 -0.54 0.06 0.00 0.21 0.00 0.00 66.02 65.61 3hr5 s SER 21 CO 0.18 0.15 0.05 0.00 0.41 0.00 0.00 173.24 174.03 3hr5 s ALA 23 N 1.96 3.48 -0.07 0.00 0.00 0.10 -1.39 121.76 125.84 3hr5 s ALA 23 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.87 3hr5 s ALA 23 Cb -0.16 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3hr5 s ALA 23 CO -0.08 -0.42 -0.10 0.00 0.00 0.00 0.00 175.76 175.16 3hr5 s ALA 24 N 1.59 2.86 0.09 0.00 0.00 -0.11 -0.92 121.76 125.26 3hr5 s ALA 24 Ca 0.32 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 3hr5 s ALA 24 Cb -0.16 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.81 3hr5 s ALA 24 CO 0.13 0.54 0.23 -1.54 0.00 0.00 0.00 175.76 175.12 3hr5 s SER 25 N -0.69 0.04 0.00 0.00 1.04 -0.63 -4.81 113.70 108.65 3hr5 s SER 25 Ca 0.10 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.99 3hr5 s SER 25 Cb -0.11 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3hr5 s SER 25 CO 0.01 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.12 3hr5 n GLY 26 N 0.03 0.55 3.82 7.32 0.00 -1.24 -1.49 105.19 114.17 3hr5 n GLY 26 Ca -0.16 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.12 -0.91 1.61 -0.12 -1.26 -4.17 117.98 111.01 3hr5 s PHE 27 Ca 0.00 -0.30 -0.23 0.00 -0.05 0.00 0.00 56.93 56.34 3hr5 s PHE 27 Cb 0.00 0.70 0.06 0.00 -0.63 0.00 0.00 43.02 43.14 3hr5 s PHE 27 CO 0.00 -1.10 1.33 0.99 -0.05 0.00 0.00 175.22 176.39 3hr5 s THR 28 N -3.41 4.01 0.20 -4.49 2.01 -1.26 -4.87 115.64 107.83 3hr5 s THR 28 Ca 0.13 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.47 3hr5 s THR 28 Cb -0.04 -4.96 0.12 0.00 0.01 0.00 0.00 72.50 67.63 3hr5 s THR 28 CO 0.06 -1.83 1.75 0.15 -0.69 0.00 0.00 174.62 174.06 3hr5 h PHE 29 N 9.71 0.38 0.00 4.92 3.57 -1.95 -1.72 116.94 131.85 3hr5 h PHE 29 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3hr5 h PHE 29 Cb 1.03 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3hr5 h PHE 29 CO 1.20 0.11 0.00 0.66 -2.23 0.00 0.00 178.31 178.06 3hr5 h SER 30 N 0.40 0.00 1.51 0.41 4.64 -1.89 -2.45 113.55 116.17 3hr5 h SER 30 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3hr5 h SER 30 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3hr5 h SER 30 CO -0.27 0.00 -0.09 0.44 -0.87 0.00 0.00 176.83 176.03 3hr5 h ASP 31 N 0.00 0.00 -3.64 4.97 5.19 -1.63 -3.43 116.42 117.87 3hr5 h ASP 31 Ca 0.00 -0.02 -0.65 0.00 -0.62 0.00 0.00 57.03 55.74 3hr5 h ASP 31 Cb 0.04 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 39.34 3hr5 h ASP 31 CO 0.00 0.01 -0.84 -0.31 -3.12 0.00 0.00 179.24 174.98 3hr5 s TYR 32 N -3.14 2.21 0.47 4.55 2.02 -0.92 -4.87 117.35 117.67 3hr5 s TYR 32 Ca 0.09 -0.38 -0.10 0.00 -0.37 0.00 0.00 57.07 56.31 3hr5 s TYR 32 Cb 0.11 -1.15 -0.05 0.00 -0.40 0.00 0.00 41.96 40.46 3hr5 s TYR 32 CO 0.63 0.38 0.83 0.20 -1.57 0.00 0.00 175.55 176.02 3hr5 s GLY 33 N -2.32 1.79 0.08 0.71 0.00 -1.23 -3.67 107.32 102.68 3hr5 s GLY 33 Ca 0.16 -0.24 0.06 0.00 0.00 0.00 0.00 44.72 44.70 3hr5 s GLY 33 CO 0.07 -0.03 -0.15 -0.42 0.00 0.00 0.00 173.10 172.57 3hr5 s ILE 34 N -2.61 1.22 0.15 0.90 -1.09 -0.25 -0.29 121.20 119.24 3hr5 s ILE 34 Ca 0.51 -1.35 0.07 0.00 -2.23 0.00 0.00 60.65 57.66 3hr5 s ILE 34 Cb -0.10 -1.16 -0.04 0.00 -1.58 0.00 0.00 42.46 39.57 3hr5 s ILE 34 CO 0.38 -0.20 -0.16 0.00 -1.23 0.00 0.00 174.94 173.73 3hr5 s ALA 35 N -1.26 1.80 -0.20 9.38 0.00 -0.13 -0.82 121.76 130.54 3hr5 s ALA 35 Ca -0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 51.96 50.44 3hr5 s ALA 35 Cb -0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3hr5 s ALA 35 CO 0.03 0.16 0.09 -1.58 0.00 0.00 0.00 175.76 174.46 3hr5 s TRP 36 N -2.19 3.27 0.10 0.00 0.52 -0.31 -0.98 118.94 119.35 3hr5 s TRP 36 Ca 0.14 0.09 0.10 0.00 0.02 0.00 0.00 56.10 56.45 3hr5 s TRP 36 Cb -0.05 -2.15 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 3hr5 s TRP 36 CO 0.05 0.10 -0.27 0.08 0.02 0.00 0.00 176.95 176.93 3hr5 s VAL 37 N 0.66 2.21 0.10 4.03 1.01 -0.39 -0.76 120.40 127.24 3hr5 s VAL 37 Ca 0.05 -1.61 0.07 0.00 0.00 0.00 0.00 61.98 60.49 3hr5 s VAL 37 Cb -0.13 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3hr5 s VAL 37 CO 0.01 0.20 -0.18 0.00 0.00 0.00 0.00 175.10 175.14 3hr5 s ARG 38 N -1.73 1.02 -0.25 2.72 1.70 0.13 -0.23 118.95 122.32 3hr5 s ARG 38 Ca 0.13 -1.11 -0.01 0.00 -0.47 0.00 0.00 55.73 54.28 3hr5 s ARG 38 Cb -0.10 -1.16 0.07 0.00 -0.57 0.00 0.00 34.95 33.20 3hr5 s ARG 38 CO 0.04 0.26 0.02 -1.14 -1.08 0.00 0.00 175.30 173.41 3hr5 s GLN 39 N -1.95 1.06 0.48 3.89 0.74 0.19 -0.22 119.66 123.86 3hr5 s GLN 39 Ca 0.04 -0.88 -0.24 0.00 0.05 0.00 0.00 55.36 54.34 3hr5 s GLN 39 Cb -0.09 -2.31 -0.07 0.00 1.10 0.00 0.00 33.01 31.64 3hr5 s GLN 39 CO 0.04 -0.73 1.35 0.00 -0.55 0.00 0.00 175.29 175.39 3hr5 s ALA 40 N 1.58 3.04 -0.00 1.58 0.00 -1.26 -1.47 121.76 125.23 3hr5 s ALA 40 Ca 0.01 1.32 -0.34 0.00 0.00 0.00 0.00 51.96 52.94 3hr5 s ALA 40 Cb -0.18 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.27 3hr5 s ALA 40 CO -0.12 -1.15 1.77 -2.30 0.00 0.00 0.00 175.76 173.96 3hr5 n PRO 41 N -0.51 2.15 -0.94 0.00 -0.02 -1.26 -1.12 135.00 133.30 3hr5 n PRO 41 Ca 0.07 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3hr5 n PRO 41 Cb 0.44 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 4.04 0.53 2.23 -1.23 0.00 -1.26 -5.01 105.19 104.50 3hr5 n GLY 42 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.97 1.03 -1.63 1.61 4.01 -0.27 -5.15 118.16 115.78 3hr5 n LYS 43 Ca 0.00 -2.04 -0.23 0.00 -0.51 0.00 0.00 58.31 55.53 3hr5 n LYS 43 Cb 0.07 0.24 0.16 0.00 -0.51 0.00 0.00 35.03 35.00 3hr5 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hr5 n GLY 44 N 1.12 -1.17 3.72 0.72 0.00 -1.26 -4.72 105.19 103.60 3hr5 n GLY 44 Ca -0.02 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 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 4.40 -0.13 0.99 1.43 -1.26 -4.19 118.68 119.92 3hr5 s LEU 45 Ca 0.60 1.54 -0.00 0.00 -1.03 0.00 0.00 54.13 55.24 3hr5 s LEU 45 Cb -0.02 -3.40 0.03 0.00 0.03 0.00 0.00 46.19 42.84 3hr5 s LEU 45 CO 0.42 -0.13 -0.08 -0.70 0.23 0.00 0.00 176.35 176.10 3hr5 s GLU 46 N 0.52 1.60 0.31 1.70 2.12 0.70 -4.99 118.70 120.65 3hr5 s GLU 46 Ca 0.45 -0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.13 3hr5 s GLU 46 Cb -0.21 -1.76 -0.10 0.00 0.26 0.00 0.00 34.13 32.32 3hr5 s GLU 46 CO 0.25 -0.31 1.23 -0.46 -0.54 0.00 0.00 175.26 175.44 3hr5 s TRP 47 N 1.66 3.25 -0.05 5.30 -0.00 -1.26 0.22 118.94 128.05 3hr5 s TRP 47 Ca 0.04 1.51 -0.09 0.00 -0.00 0.00 0.00 56.10 57.55 3hr5 s TRP 47 Cb -0.13 -3.54 -0.03 0.00 -0.00 0.00 0.00 33.47 29.77 3hr5 s TRP 47 CO -0.08 -1.39 -0.19 0.28 -0.00 0.00 0.00 176.95 175.57 3hr5 n VAL 48 N 1.04 1.35 -3.71 5.86 0.31 0.06 -4.62 118.33 118.61 3hr5 n VAL 48 Ca -0.00 0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 64.47 3hr5 n VAL 48 Cb 0.43 -1.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.32 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 -2.47 -0.71 -0.03 3.52 0.00 -0.99 0.13 121.76 121.21 3hr5 s ALA 49 Ca -0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 3hr5 s ALA 49 Cb 0.02 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.73 3hr5 s ALA 49 CO 0.23 -0.56 0.06 0.12 0.00 0.00 0.00 175.76 175.61 3hr5 s PHE 50 N -3.54 -0.03 -0.04 0.00 5.36 0.03 -1.16 117.98 118.59 3hr5 s PHE 50 Ca 0.02 0.21 0.07 0.00 -0.96 0.00 0.00 56.93 56.26 3hr5 s PHE 50 Cb 0.02 -0.17 -0.01 0.00 -0.34 0.00 0.00 43.02 42.52 3hr5 s PHE 50 CO -0.10 -0.10 -0.25 -1.50 -1.46 0.00 0.00 175.22 171.82 3hr5 s ILE 51 N 0.94 2.01 0.94 3.12 2.07 0.00 -0.62 121.20 129.68 3hr5 s ILE 51 Ca -0.08 -1.06 -0.15 0.00 -1.41 0.00 0.00 60.65 57.95 3hr5 s ILE 51 Cb -0.11 -1.69 0.17 0.00 0.13 0.00 0.00 42.46 40.96 3hr5 s ILE 51 CO -0.03 0.56 1.24 -0.94 -1.91 0.00 0.00 174.94 173.87 3hr5 s SER 52 N -0.30 3.27 0.23 4.50 1.04 -0.80 -1.10 113.70 120.53 3hr5 s SER 52 Ca 0.01 0.51 -0.10 0.00 0.48 0.00 0.00 55.95 56.86 3hr5 s SER 52 Cb -0.12 -0.75 0.34 0.00 0.10 0.00 0.00 66.02 65.59 3hr5 s SER 52 CO 0.02 -2.66 1.65 -2.24 0.98 0.00 0.00 173.24 170.99 3hr5 h ASP 53 N -1.58 -0.35 -0.36 7.02 2.03 -1.85 -2.32 116.42 119.01 3hr5 h ASP 53 Ca -0.46 0.18 -0.16 0.00 -0.73 0.00 0.00 57.03 55.86 3hr5 h ASP 53 Cb 1.28 0.32 -0.10 0.00 -0.83 0.00 0.00 39.33 40.00 3hr5 h ASP 53 CO 0.47 -0.15 -0.04 0.18 -1.03 0.00 0.00 179.24 178.67 3hr5 n LEU 54 N -5.33 4.17 -0.21 0.15 4.77 -1.26 -4.84 117.00 114.45 3hr5 n LEU 54 Ca 0.11 -3.64 -0.03 0.00 -0.03 0.00 0.00 56.01 52.43 3hr5 n LEU 54 Cb 0.40 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3hr5 n LEU 54 CO 0.07 1.15 -0.02 0.00 -1.33 0.00 0.00 177.39 177.26 3hr5 n ALA 55 N -1.03 -0.04 -0.06 -1.18 0.00 -0.87 -4.84 120.51 112.49 3hr5 n ALA 55 Ca 0.32 0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.81 3hr5 n ALA 55 Cb 1.03 -1.36 0.31 0.00 0.00 0.00 0.00 19.45 19.43 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 0.66 -3.33 0.00 0.99 -1.92 -3.43 116.97 109.94 3hr5 h TYR 56 Ca -0.05 -0.02 -0.39 0.00 2.00 0.00 0.00 58.73 60.26 3hr5 h TYR 56 Cb 0.90 -0.21 -0.38 0.00 1.00 0.00 0.00 36.73 38.05 3hr5 h TYR 56 CO 0.54 0.51 -0.75 -0.08 -0.00 0.00 0.00 178.16 178.38 3hr5 s THR 57 N -5.33 0.15 -0.02 -2.88 -1.32 -1.26 -5.05 115.64 99.93 3hr5 s THR 57 Ca -0.09 0.23 0.04 0.00 -1.21 0.00 0.00 61.69 60.66 3hr5 s THR 57 Cb 0.16 -0.33 -0.01 0.00 -1.51 0.00 0.00 72.50 70.82 3hr5 s THR 57 CO 0.76 0.21 -0.14 -0.63 -2.21 0.00 0.00 174.62 172.60 3hr5 s ILE 58 N 1.84 1.17 0.10 5.08 1.01 -1.26 -1.91 121.20 127.23 3hr5 s ILE 58 Ca 0.02 -0.61 0.09 0.00 0.00 0.00 0.00 60.65 60.15 3hr5 s ILE 58 Cb -0.12 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3hr5 s ILE 58 CO -0.04 0.34 -0.23 -0.31 0.00 0.00 0.00 174.94 174.70 3hr5 s TYR 59 N -0.16 1.98 0.02 3.97 4.12 0.21 -4.96 117.35 122.54 3hr5 s TYR 59 Ca 0.02 -0.40 0.04 0.00 0.02 0.00 0.00 57.07 56.75 3hr5 s TYR 59 Cb -0.08 -1.10 -0.02 0.00 -1.52 0.00 0.00 41.96 39.25 3hr5 s TYR 59 CO 0.00 0.23 -0.13 0.71 0.02 0.00 0.00 175.55 176.39 3hr5 s TYR 60 N -1.07 1.11 0.47 2.71 2.02 -1.26 -0.79 117.35 120.54 3hr5 s TYR 60 Ca 0.09 -0.30 -0.23 0.00 -0.37 0.00 0.00 57.07 56.26 3hr5 s TYR 60 Cb -0.10 -0.68 -0.07 0.00 -0.40 0.00 0.00 41.96 40.71 3hr5 s TYR 60 CO 0.04 0.01 1.19 0.00 -1.57 0.00 0.00 175.55 175.22 3hr5 s ALA 61 N -0.67 2.96 0.27 3.71 0.00 0.12 -4.88 121.76 123.27 3hr5 s ALA 61 Ca 0.02 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 52.93 3hr5 s ALA 61 Cb -0.07 -3.41 0.35 0.00 0.00 0.00 0.00 23.12 20.00 3hr5 s ALA 61 CO 0.01 -0.75 1.90 -0.44 0.00 0.00 0.00 175.76 176.48 3hr5 h ASP 62 N 1.98 0.99 0.00 0.00 5.19 -1.93 -1.57 116.42 121.07 3hr5 h ASP 62 Ca -0.50 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.84 3hr5 h ASP 62 Cb 1.25 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.51 3hr5 h ASP 62 CO 0.60 0.78 0.19 0.00 -3.12 0.00 0.00 179.24 177.69 3hr5 h THR 63 N 1.12 0.00 0.00 0.35 1.03 -1.97 -3.10 112.91 110.34 3hr5 h THR 63 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.69 3hr5 h THR 63 Cb 0.00 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 67.64 3hr5 h THR 63 CO -0.05 0.00 -0.33 0.52 -0.01 0.00 0.00 175.52 175.65 3hr5 n VAL 64 N -2.50 0.00 -2.11 0.00 0.31 -0.66 -5.05 118.33 108.31 3hr5 n VAL 64 Ca -0.02 -0.20 -0.40 0.00 -0.01 0.00 0.00 64.34 63.71 3hr5 n VAL 64 Cb 0.23 0.71 -0.02 0.00 -0.91 0.00 0.00 33.84 33.85 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 -1.06 2.71 0.00 2.52 -1.32 -0.77 -2.40 115.64 115.32 3hr5 s THR 65 Ca 0.00 0.70 0.00 0.00 -1.21 0.00 0.00 61.69 61.18 3hr5 s THR 65 Cb 0.00 -3.44 0.00 0.00 -1.51 0.00 0.00 72.50 67.55 3hr5 s THR 65 CO 0.00 0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 3hr5 n GLY 66 N 0.77 2.98 0.12 6.08 0.00 -1.26 -4.78 105.19 109.11 3hr5 n GLY 66 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.71 0.67 -4.05 1.61 1.74 -1.01 -5.00 116.66 109.92 3hr5 n ARG 67 Ca 0.00 0.13 -0.33 0.00 -0.77 0.00 0.00 57.85 56.88 3hr5 n ARG 67 Cb 0.00 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 29.82 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 3.35 -0.17 -1.55 0.40 -1.05 -1.96 117.98 114.48 3hr5 s PHE 68 Ca -0.27 0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 3hr5 s PHE 68 Cb 0.08 -1.76 0.04 0.00 0.51 0.00 0.00 43.02 41.88 3hr5 s PHE 68 CO 0.68 0.58 -0.10 0.99 0.70 0.00 0.00 175.22 178.07 3hr5 s THR 69 N -1.22 1.42 0.05 0.64 2.01 0.72 -4.93 115.64 114.34 3hr5 s THR 69 Ca 0.23 -0.74 -0.20 0.00 0.31 0.00 0.00 61.69 61.30 3hr5 s THR 69 Cb -0.12 -1.48 -0.06 0.00 0.01 0.00 0.00 72.50 70.85 3hr5 s THR 69 CO 0.15 0.25 0.57 -0.51 -0.69 0.00 0.00 174.62 174.39 3hr5 s ILE 70 N 1.51 4.79 0.22 1.82 2.07 -1.26 -0.58 121.20 129.77 3hr5 s ILE 70 Ca 0.01 1.22 -0.09 0.00 -1.41 0.00 0.00 60.65 60.38 3hr5 s ILE 70 Cb -0.15 -3.90 -0.01 0.00 0.13 0.00 0.00 42.46 38.53 3hr5 s ILE 70 CO -0.09 0.52 0.36 -0.94 -1.91 0.00 0.00 174.94 172.88 3hr5 s SER 71 N -0.84 -0.01 0.11 4.50 1.04 -0.84 -4.99 113.70 112.66 3hr5 s SER 71 Ca 0.29 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.72 3hr5 s SER 71 Cb -0.19 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 3hr5 s SER 71 CO 0.18 -1.02 -0.04 0.00 0.98 0.00 0.00 173.24 173.34 3hr5 s ARG 72 N -4.04 0.86 -0.34 4.02 1.70 -1.26 0.41 118.95 120.29 3hr5 s ARG 72 Ca 0.25 -1.36 0.01 0.00 -0.47 0.00 0.00 55.73 54.15 3hr5 s ARG 72 Cb 0.02 -0.13 0.11 0.00 -0.57 0.00 0.00 34.95 34.38 3hr5 s ARG 72 CO 0.08 -0.07 0.12 0.34 -1.08 0.00 0.00 175.30 174.69 3hr5 s ASP 73 N -3.05 4.08 0.39 -2.89 -1.08 0.21 -4.98 116.67 109.34 3hr5 s ASP 73 Ca 0.14 -1.95 0.06 0.00 -0.52 0.00 0.00 52.55 50.29 3hr5 s ASP 73 Cb 0.06 -1.03 0.77 0.00 -1.46 0.00 0.00 42.92 41.26 3hr5 s ASP 73 CO -0.03 -0.38 2.00 0.78 0.52 0.00 0.00 175.17 178.06 3hr5 h ASN 74 N 7.71 0.48 0.54 -0.34 2.35 -1.97 -0.97 115.58 123.38 3hr5 h ASN 74 Ca -0.09 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 3hr5 h ASN 74 Cb 1.00 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 3hr5 h ASN 74 CO 0.48 0.42 -0.52 0.77 -1.65 0.00 0.00 177.43 176.93 3hr5 h SER 75 N 0.54 0.00 -0.01 5.81 4.64 -1.95 -3.07 113.55 119.51 3hr5 h SER 75 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3hr5 h SER 75 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3hr5 h SER 75 CO -0.02 0.52 -0.06 0.29 -0.87 0.00 0.00 176.83 176.69 3hr5 n LYS 76 N -3.90 1.93 -3.76 4.77 5.02 -0.86 -4.96 118.16 116.41 3hr5 n LYS 76 Ca -0.01 -1.46 -0.29 0.00 -2.02 0.00 0.00 58.31 54.52 3hr5 n LYS 76 Cb 0.54 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.75 -4.70 -4.37 4.39 3.02 -0.43 -4.80 115.26 109.12 3hr5 n ASN 77 Ca 0.15 -0.68 -0.32 0.00 -0.03 0.00 0.00 54.58 53.70 3hr5 n ASN 77 Cb 0.50 -3.77 -0.15 0.00 -0.61 0.00 0.00 39.78 35.75 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 -3.22 2.57 0.02 3.41 2.01 -0.83 -0.93 115.64 118.67 3hr5 s THR 78 Ca 0.60 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.73 3hr5 s THR 78 Cb -0.30 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 3hr5 s THR 78 CO 0.74 0.57 -0.01 -0.22 -0.69 0.00 0.00 174.62 175.01 3hr5 s LEU 79 N -0.40 3.43 0.12 4.42 2.96 -0.49 0.63 118.68 129.36 3hr5 s LEU 79 Ca 0.04 -0.08 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 3hr5 s LEU 79 Cb -0.12 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3hr5 s LEU 79 CO 0.02 0.25 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.82 3hr5 s TYR 80 N -1.13 1.61 -0.14 5.38 2.02 0.16 -0.92 117.35 124.33 3hr5 s TYR 80 Ca 0.21 -0.48 -0.03 0.00 -0.37 0.00 0.00 57.07 56.40 3hr5 s TYR 80 Cb -0.11 -0.85 0.05 0.00 -0.40 0.00 0.00 41.96 40.65 3hr5 s TYR 80 CO 0.12 0.21 0.03 -1.17 -1.57 0.00 0.00 175.55 173.17 3hr5 s LEU 81 N -2.28 0.82 -0.20 -1.29 2.96 -0.46 -1.98 118.68 116.23 3hr5 s LEU 81 Ca 0.09 -0.51 -0.20 0.00 -0.22 0.00 0.00 54.13 53.29 3hr5 s LEU 81 Cb -0.07 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 46.12 3hr5 s LEU 81 CO 0.04 -0.27 0.58 -1.58 -1.32 0.00 0.00 176.35 173.80 3hr5 s GLN 82 N 1.95 4.19 -0.27 1.98 2.00 0.25 -0.55 119.66 129.22 3hr5 s GLN 82 Ca 0.02 0.51 0.01 0.00 -2.00 0.00 0.00 55.36 53.89 3hr5 s GLN 82 Cb -0.15 -3.58 0.05 0.00 0.80 0.00 0.00 33.01 30.13 3hr5 s GLN 82 CO -0.07 -0.22 -0.07 -1.64 -0.50 0.00 0.00 175.29 172.80 3hr5 s MET 83 N 1.84 2.41 0.31 1.67 -1.94 -0.09 -0.20 119.30 123.29 3hr5 s MET 83 Ca 0.26 -1.26 0.07 0.00 -1.71 0.00 0.00 55.69 53.05 3hr5 s MET 83 Cb -0.16 -3.00 -0.02 0.00 2.01 0.00 0.00 34.83 33.66 3hr5 s MET 83 CO 0.10 -0.56 0.34 -0.80 -0.01 0.00 0.00 175.02 174.09 3hr5 s ASN 84 N 1.19 5.70 -1.38 3.03 0.01 -0.83 -1.56 114.94 121.11 3hr5 s ASN 84 Ca -0.06 -0.27 -0.00 0.00 -0.71 0.00 0.00 52.86 51.81 3hr5 s ASN 84 Cb -0.19 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.21 3hr5 s ASN 84 CO -0.04 -0.28 0.52 -1.20 -1.51 0.00 0.00 177.10 174.59 3hr5 n SER 85 N -1.43 -0.65 -4.76 -1.22 7.64 -1.19 -4.80 113.62 107.22 3hr5 n SER 85 Ca -0.03 -0.94 -0.41 0.00 1.01 0.00 0.00 58.87 58.49 3hr5 n SER 85 Cb 0.58 -3.39 -0.02 0.00 -1.01 0.00 0.00 64.21 60.37 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 -6.88 4.42 0.24 -3.43 1.43 -0.45 -4.58 118.68 109.43 3hr5 s LEU 86 Ca 0.02 2.62 0.09 0.00 -1.03 0.00 0.00 54.13 55.83 3hr5 s LEU 86 Cb -0.01 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 3hr5 s LEU 86 CO 0.86 -0.55 -0.01 -0.13 0.23 0.00 0.00 176.35 176.75 3hr5 s ARG 87 N -1.19 2.30 0.28 1.70 3.00 -1.26 0.12 118.95 123.90 3hr5 s ARG 87 Ca 0.52 -1.34 0.03 0.00 0.00 0.00 0.00 55.73 54.94 3hr5 s ARG 87 Cb -0.39 -2.20 0.69 0.00 0.00 0.00 0.00 34.95 33.05 3hr5 s ARG 87 CO 0.48 0.39 1.70 0.00 0.00 0.00 0.00 175.30 177.86 3hr5 h ALA 88 N 2.13 1.38 0.00 2.13 0.00 -1.96 -1.54 119.26 121.39 3hr5 h ALA 88 Ca -0.45 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hr5 h ALA 88 Cb 1.24 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3hr5 h ALA 88 CO 0.59 -0.33 -0.00 0.93 0.00 0.00 0.00 179.25 180.44 3hr5 h GLU 89 N 0.39 0.00 0.00 0.00 3.07 -1.96 -0.78 114.58 115.31 3hr5 h GLU 89 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 3hr5 h GLU 89 Cb 1.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3hr5 h GLU 89 CO -0.52 0.00 -0.05 -0.25 -1.40 0.00 0.00 179.01 176.79 3hr5 n ASP 90 N -3.15 0.08 -4.51 1.42 8.00 -0.58 -4.82 116.55 112.99 3hr5 n ASP 90 Ca -0.02 0.43 -0.52 0.00 0.71 0.00 0.00 54.79 55.39 3hr5 n ASP 90 Cb 0.11 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.70 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 -1.54 0.25 -3.53 -3.53 -1.04 -0.30 -4.90 114.28 99.70 3hr5 n THR 91 Ca 0.07 -0.20 -0.07 0.00 -2.04 0.00 0.00 64.05 61.80 3hr5 n THR 91 Cb 0.34 -1.56 -0.02 0.00 -1.82 0.00 0.00 70.33 67.27 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 6.28 -1.88 0.15 2.41 0.00 -0.66 -4.33 121.76 123.73 3hr5 s ALA 92 Ca 1.06 1.14 -0.30 0.00 0.00 0.00 0.00 51.96 53.87 3hr5 s ALA 92 Cb -0.90 0.29 -0.07 0.00 0.00 0.00 0.00 23.12 22.44 3hr5 s ALA 92 CO 0.53 -0.67 1.15 0.08 0.00 0.00 0.00 175.76 176.85 3hr5 s VAL 93 N -2.95 3.83 -0.20 0.00 1.01 -0.54 -1.42 120.40 120.12 3hr5 s VAL 93 Ca 0.06 1.50 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 3hr5 s VAL 93 Cb -0.01 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3hr5 s VAL 93 CO -0.08 0.22 -0.05 -0.31 0.00 0.00 0.00 175.10 174.88 3hr5 s TYR 94 N 0.12 2.95 -0.09 5.22 1.51 -0.14 -0.64 117.35 126.29 3hr5 s TYR 94 Ca 0.52 -0.78 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 3hr5 s TYR 94 Cb -0.30 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 3hr5 s TYR 94 CO 0.34 -0.42 -0.03 0.71 -1.11 0.00 0.00 175.55 175.05 3hr5 s TYR 95 N 1.16 3.07 -0.07 2.71 2.02 0.68 -1.54 117.35 125.38 3hr5 s TYR 95 Ca 0.02 0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 56.73 3hr5 s TYR 95 Cb -0.14 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 3hr5 s TYR 95 CO -0.01 0.36 0.19 0.00 -1.57 0.00 0.00 175.55 174.52 3hr5 s ALA 97 N -1.13 0.21 0.30 0.00 0.00 -0.15 -1.29 121.76 119.70 3hr5 s ALA 97 Ca 0.20 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 3hr5 s ALA 97 Cb -0.13 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.37 3hr5 s ALA 97 CO 0.09 -0.39 1.01 -0.98 0.00 0.00 0.00 175.76 175.50 3hr5 s ARG 98 N 1.87 4.59 -0.20 0.00 1.04 -0.33 -0.95 118.95 124.96 3hr5 s ARG 98 Ca 0.01 1.56 -0.09 0.00 -1.04 0.00 0.00 55.73 56.17 3hr5 s ARG 98 Cb -0.12 -3.00 -0.05 0.00 -2.04 0.00 0.00 34.95 29.74 3hr5 s ARG 98 CO -0.03 0.24 0.11 0.34 -0.04 0.00 0.00 175.30 175.92 3hr5 s ASP 99 N -1.25 5.95 0.66 -2.89 2.15 0.61 -1.23 116.67 120.66 3hr5 s ASP 99 Ca 0.47 0.14 0.43 0.00 0.43 0.00 0.00 52.55 54.03 3hr5 s ASP 99 Cb -0.26 -2.04 2.37 0.00 -0.30 0.00 0.00 42.92 42.69 3hr5 s ASP 99 CO 0.32 0.16 2.36 0.78 -0.17 0.00 0.00 175.17 178.62 3hr5 h ASN 100 N 6.84 0.00 0.00 -0.34 2.35 -0.73 -3.26 115.58 120.44 3hr5 h ASN 100 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 3hr5 h ASN 100 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 3hr5 h ASN 100 CO 0.72 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 177.29 3hr5 n TRP 101 N -3.16 0.00 -0.04 1.19 7.02 -1.26 -4.84 117.44 116.35 3hr5 n TRP 101 Ca -0.03 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.38 3hr5 n TRP 101 Cb 0.08 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.94 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 0.69 -4.27 -0.99 5.68 -1.26 -5.12 116.55 111.29 3hr5 n ASP 102 Ca 0.00 0.08 -0.15 0.00 -0.50 0.00 0.00 54.79 54.22 3hr5 n ASP 102 Cb 0.00 -0.20 -0.10 0.00 -1.14 0.00 0.00 41.12 39.68 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 -2.13 1.53 -0.42 2.12 0.00 -1.26 -5.09 121.76 116.51 3hr5 s ALA 103 Ca -0.10 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.02 3hr5 s ALA 103 Cb 0.04 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.31 3hr5 s ALA 103 CO 0.13 -0.13 1.48 -1.64 0.00 0.00 0.00 175.76 175.60 3hr5 s MET 104 N -3.77 3.50 -0.12 0.00 -1.94 -1.26 -0.02 119.30 115.68 3hr5 s MET 104 Ca 0.19 0.96 0.13 0.00 -1.71 0.00 0.00 55.69 55.27 3hr5 s MET 104 Cb 0.03 -4.07 -0.19 0.00 2.01 0.00 0.00 34.83 32.62 3hr5 s MET 104 CO 0.02 -1.67 0.11 -0.40 -0.01 0.00 0.00 175.02 173.07 3hr5 n ASP 105 N 9.19 1.45 -3.92 3.03 5.75 -0.36 -4.93 116.55 126.75 3hr5 n ASP 105 Ca 0.17 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.72 3hr5 n ASP 105 Cb 0.48 1.02 -0.17 0.00 -1.03 0.00 0.00 41.12 41.42 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 -2.49 1.13 0.04 2.11 2.02 -1.25 -5.01 117.35 113.90 3hr5 s TYR 106 Ca -0.07 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.26 3hr5 s TYR 106 Cb 0.05 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.64 3hr5 s TYR 106 CO 0.60 -0.31 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.57 3hr5 s TRP 107 N 1.12 2.70 1.12 2.71 0.52 -1.26 -1.19 118.94 124.66 3hr5 s TRP 107 Ca -0.07 -0.17 -0.18 0.00 0.02 0.00 0.00 56.10 55.70 3hr5 s TRP 107 Cb -0.14 -1.50 0.26 0.00 -1.15 0.00 0.00 33.47 30.94 3hr5 s TRP 107 CO -0.01 0.33 1.20 0.20 0.02 0.00 0.00 176.95 178.69 3hr5 s GLY 108 N -1.59 1.67 0.20 0.98 0.00 -0.42 -4.74 107.32 103.42 3hr5 s GLY 108 Ca 0.17 -1.10 0.26 0.00 0.00 0.00 0.00 44.72 44.04 3hr5 s GLY 108 CO 0.08 -0.24 1.69 -1.06 0.00 0.00 0.00 173.10 173.57 3hr5 n GLN 109 N -4.40 0.28 0.00 2.90 1.13 -1.26 -4.81 117.38 111.22 3hr5 n GLN 109 Ca 0.15 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 3hr5 n GLN 109 Cb 0.60 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 29.15 3hr5 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hr5 n GLY 110 N 1.31 0.52 2.85 1.08 0.00 -1.26 -4.98 105.19 104.71 3hr5 n GLY 110 Ca 0.05 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.71 0.11 -0.21 2.61 -1.32 -0.59 -4.66 115.64 109.87 3hr5 s THR 111 Ca 0.00 0.03 -0.21 0.00 -1.21 0.00 0.00 61.69 60.30 3hr5 s THR 111 Cb 0.00 -0.16 -0.02 0.00 -1.51 0.00 0.00 72.50 70.81 3hr5 s THR 111 CO 0.00 0.08 0.66 -0.22 -2.21 0.00 0.00 174.62 172.93 3hr5 s LEU 112 N 0.50 4.12 -0.22 9.08 2.96 -1.26 -0.96 118.68 132.89 3hr5 s LEU 112 Ca -0.05 0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 54.65 3hr5 s LEU 112 Cb -0.07 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 3hr5 s LEU 112 CO -0.01 -0.33 0.01 -0.69 -1.32 0.00 0.00 176.35 174.01 3hr5 s VAL 113 N 2.16 3.86 -0.17 1.68 1.01 -0.51 -0.44 120.40 127.99 3hr5 s VAL 113 Ca 0.29 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 3hr5 s VAL 113 Cb -0.16 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3hr5 s VAL 113 CO 0.10 0.40 -0.14 -0.89 0.00 0.00 0.00 175.10 174.56 3hr5 s THR 114 N 1.36 2.67 -0.32 3.92 2.01 -0.11 -1.65 115.64 123.52 3hr5 s THR 114 Ca 0.04 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 3hr5 s THR 114 Cb -0.15 -2.15 0.04 0.00 0.01 0.00 0.00 72.50 70.26 3hr5 s THR 114 CO 0.01 0.50 0.07 -0.69 -0.69 0.00 0.00 174.62 173.82 3hr5 s VAL 115 N 1.01 3.56 -0.02 3.82 1.01 -1.26 -0.99 120.40 127.54 3hr5 s VAL 115 Ca -0.01 -1.15 -0.29 0.00 0.00 0.00 0.00 61.98 60.53 3hr5 s VAL 115 Cb -0.15 -3.00 0.09 0.00 0.00 0.00 0.00 36.38 33.32 3hr5 s VAL 115 CO -0.03 -0.12 0.77 -0.55 0.00 0.00 0.00 175.10 175.16 3hr5 s SER 116 N 1.37 -0.53 0.00 3.32 0.15 -0.36 -4.29 113.70 113.37 3hr5 s SER 116 Ca -0.02 0.36 0.24 0.00 0.70 0.00 0.00 55.95 57.23 3hr5 s SER 116 Cb -0.19 0.48 0.31 0.00 -1.71 0.00 0.00 66.02 64.91 3hr5 s SER 116 CO 0.02 -0.64 1.28 -1.54 1.20 0.00 0.00 173.24 173.56 3hr5 n SER 117 N 0.38 1.09 -4.76 5.45 3.41 -1.26 -3.91 113.62 114.01 3hr5 n SER 117 Ca -0.15 -0.87 -0.37 0.00 -0.26 0.00 0.00 58.87 57.22 3hr5 n SER 117 Cb 0.60 0.43 0.02 0.00 -0.26 0.00 0.00 64.21 65.00 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 -2.74 2.80 0.29 7.33 0.00 -1.26 -5.00 121.76 123.17 3hr5 s ALA 118 Ca 0.16 1.10 -0.18 0.00 0.00 0.00 0.00 51.96 53.04 3hr5 s ALA 118 Cb 0.18 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 3hr5 s ALA 118 CO 0.66 -1.06 0.76 -1.12 0.00 0.00 0.00 175.76 175.00 3hr5 s SER 119 N -1.28 6.94 0.14 0.00 0.01 -1.26 -5.02 113.70 113.23 3hr5 s SER 119 Ca 0.70 1.40 -0.33 0.00 1.31 0.00 0.00 55.95 59.04 3hr5 s SER 119 Cb -0.33 -2.42 -0.13 0.00 0.21 0.00 0.00 66.02 63.35 3hr5 s SER 119 CO 0.39 -0.11 1.70 0.41 0.41 0.00 0.00 173.24 176.04 3hr5 n THR 120 N 0.13 0.14 -3.76 1.44 -1.04 -1.26 -4.68 114.28 105.25 3hr5 n THR 120 Ca 0.01 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.05 61.86 3hr5 n THR 120 Cb 0.52 -1.80 -0.14 0.00 -1.82 0.00 0.00 70.33 67.08 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 1.68 0.09 0.47 -2.82 2.20 0.23 -4.96 119.74 116.63 3hr5 s LYS 121 Ca 0.80 0.35 -0.18 0.00 -0.36 0.00 0.00 55.97 56.57 3hr5 s LYS 121 Cb -0.60 -0.16 -0.09 0.00 -1.51 0.00 0.00 37.83 35.47 3hr5 s LYS 121 CO 0.38 -0.15 0.95 0.20 -0.36 0.00 0.00 175.35 176.37 3hr5 s GLY 122 N 1.08 2.22 0.56 5.54 0.00 -1.26 -1.07 107.32 114.39 3hr5 s GLY 122 Ca -0.08 0.27 -0.19 0.00 0.00 0.00 0.00 44.72 44.72 3hr5 s GLY 122 CO -0.05 0.54 1.13 2.56 0.00 0.00 0.00 173.10 177.28 3hr5 s PRO 123 N -3.61 3.26 -0.07 2.90 0.04 -1.26 -4.54 135.00 131.73 3hr5 s PRO 123 Ca 0.60 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 3hr5 s PRO 123 Cb -0.09 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 3hr5 s PRO 123 CO 0.22 -0.92 0.38 -1.12 0.04 0.00 0.00 177.00 175.61 3hr5 s SER 124 N -1.90 6.67 -0.24 6.66 0.01 0.53 -4.90 113.70 120.52 3hr5 s SER 124 Ca 0.72 0.79 -0.07 0.00 1.31 0.00 0.00 55.95 58.70 3hr5 s SER 124 Cb -0.23 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 3hr5 s SER 124 CO 0.29 0.20 0.07 -0.69 0.41 0.00 0.00 173.24 173.52 3hr5 s VAL 125 N -0.30 4.36 0.05 3.43 1.01 -1.26 -0.09 120.40 127.59 3hr5 s VAL 125 Ca 0.22 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.14 3hr5 s VAL 125 Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3hr5 s VAL 125 CO 0.10 0.35 -0.26 -0.36 0.00 0.00 0.00 175.10 174.93 3hr5 s PHE 126 N 1.47 2.30 0.30 5.22 0.08 0.12 -4.95 117.98 122.52 3hr5 s PHE 126 Ca 0.06 -0.41 -0.27 0.00 0.12 0.00 0.00 56.93 56.42 3hr5 s PHE 126 Cb -0.15 -1.37 -0.10 0.00 -0.57 0.00 0.00 43.02 40.83 3hr5 s PHE 126 CO 0.04 0.13 0.94 -1.25 -0.10 0.00 0.00 175.22 174.98 3hr5 s PRO 127 N -1.27 4.66 -0.76 0.24 0.04 -1.26 0.42 135.00 137.06 3hr5 s PRO 127 Ca 0.12 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 62.44 3hr5 s PRO 127 Cb -0.10 -2.93 0.20 0.00 0.04 0.00 0.00 34.50 31.71 3hr5 s PRO 127 CO 0.02 0.34 0.65 -0.51 0.04 0.00 0.00 177.00 177.54 3hr5 s LEU 128 N -1.82 6.07 0.25 -3.56 1.43 0.12 -4.76 118.68 116.41 3hr5 s LEU 128 Ca 0.48 -2.85 -0.30 0.00 -1.03 0.00 0.00 54.13 50.43 3hr5 s LEU 128 Cb -0.21 -2.05 -0.09 0.00 0.03 0.00 0.00 46.19 43.87 3hr5 s LEU 128 CO 0.26 -0.46 1.22 0.00 0.23 0.00 0.00 176.35 177.60 3hr5 s ALA 129 N -0.06 3.46 0.31 4.21 0.00 -1.26 -0.63 121.76 127.78 3hr5 s ALA 129 Ca 0.18 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 3hr5 s ALA 129 Cb -0.14 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3hr5 s ALA 129 CO -0.07 -0.41 1.49 -1.25 0.00 0.00 0.00 175.76 175.53 3hr5 s PRO 130 N -0.92 4.18 -0.07 0.00 0.04 -1.25 -4.60 135.00 132.38 3hr5 s PRO 130 Ca 0.50 2.47 -0.05 0.00 0.04 0.00 0.00 61.00 63.97 3hr5 s PRO 130 Cb -0.35 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.18 3hr5 s PRO 130 CO 0.42 -0.50 0.09 0.45 0.04 0.00 0.00 177.00 177.50 3hr5 n SER 131 N 1.51 -1.37 -4.58 6.66 2.88 -1.26 -4.40 113.62 113.05 3hr5 n SER 131 Ca 0.05 0.49 -0.42 0.00 -1.33 0.00 0.00 58.87 57.66 3hr5 n SER 131 Cb 0.39 -2.57 -0.02 0.00 -0.75 0.00 0.00 64.21 61.26 3hr5 n SER 131 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hr5 s SER 132 N -0.25 6.37 0.00 -3.46 1.04 -1.26 -4.67 113.70 111.47 3hr5 s SER 132 Ca -0.11 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.57 3hr5 s SER 132 Cb 0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3hr5 s SER 132 CO 0.29 -1.52 0.00 1.17 0.98 0.00 0.00 173.24 174.17 3hr5 n LYS 133 N 8.41 0.00 -1.81 4.02 4.81 -1.26 -4.83 118.16 127.50 3hr5 n LYS 133 Ca 0.11 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.12 3hr5 n LYS 133 Cb 0.49 0.00 -0.03 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 -4.00 6.54 0.27 3.14 0.15 -1.26 -4.98 113.70 113.56 3hr5 s SER 134 Ca 0.00 2.50 -0.00 0.00 0.70 0.00 0.00 55.95 59.15 3hr5 s SER 134 Cb 0.00 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 3hr5 s SER 134 CO 0.00 -1.00 0.47 0.28 1.20 0.00 0.00 173.24 174.19 3hr5 s THR 135 N 4.17 5.15 0.23 6.45 -1.32 -1.26 -4.77 115.64 124.29 3hr5 s THR 135 Ca 0.82 -0.41 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 3hr5 s THR 135 Cb -0.39 -3.80 0.00 0.00 -1.51 0.00 0.00 72.50 66.80 3hr5 s THR 135 CO 0.36 -0.36 0.00 -1.54 -2.21 0.00 0.00 174.62 170.88 3hr5 n SER 136 N -1.20 -4.89 0.00 8.08 3.41 -1.26 -5.10 113.62 112.66 3hr5 n SER 136 Ca -0.05 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 3hr5 n SER 136 Cb 0.55 -2.56 0.00 0.00 -0.26 0.00 0.00 64.21 61.94 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 -3.19 -0.28 1.42 5.00 0.00 -1.26 -5.00 105.19 101.88 3hr5 n GLY 137 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.07 3.07 -0.02 0.00 -1.26 -4.81 105.19 102.11 3hr5 n GLY 138 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.48 0.16 2.61 -1.32 -1.26 -2.36 115.64 112.95 3hr5 s THR 139 Ca 0.00 -0.65 0.09 0.00 -1.21 0.00 0.00 61.69 59.92 3hr5 s THR 139 Cb 0.00 -1.34 -0.04 0.00 -1.51 0.00 0.00 72.50 69.61 3hr5 s THR 139 CO 0.00 0.44 -0.16 0.00 -2.21 0.00 0.00 174.62 172.68 3hr5 s ALA 140 N 0.79 2.75 -0.05 11.08 0.00 -0.21 -4.79 121.76 131.33 3hr5 s ALA 140 Ca -0.11 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 50.44 3hr5 s ALA 140 Cb -0.16 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 3hr5 s ALA 140 CO 0.02 0.51 -0.18 0.00 0.00 0.00 0.00 175.76 176.11 3hr5 s ALA 141 N -1.47 2.49 0.14 0.00 0.00 -1.26 -0.36 121.76 121.31 3hr5 s ALA 141 Ca 0.21 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 3hr5 s ALA 141 Cb -0.09 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 3hr5 s ALA 141 CO 0.12 0.51 0.10 -0.48 0.00 0.00 0.00 175.76 176.01 3hr5 s LEU 142 N -0.55 1.57 0.00 0.00 0.05 -0.35 -3.88 118.68 115.53 3hr5 s LEU 142 Ca 0.07 -1.17 -0.03 0.00 0.05 0.00 0.00 54.13 53.05 3hr5 s LEU 142 Cb -0.11 0.46 0.01 0.00 -2.05 0.00 0.00 46.19 44.49 3hr5 s LEU 142 CO 0.01 -0.77 0.13 0.61 -0.55 0.00 0.00 176.35 175.78 3hr5 n GLY 143 N -0.13 0.77 2.94 -3.48 0.00 0.19 -0.37 105.19 105.10 3hr5 n GLY 143 Ca -0.05 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 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 1.16 4.51 -0.61 0.00 2.96 0.17 -1.11 118.68 125.76 3hr5 s LEU 145 Ca -0.06 -0.36 -0.19 0.00 -0.22 0.00 0.00 54.13 53.31 3hr5 s LEU 145 Cb -0.14 -2.72 0.11 0.00 0.50 0.00 0.00 46.19 43.94 3hr5 s LEU 145 CO -0.02 -0.79 0.71 -0.69 -1.32 0.00 0.00 176.35 174.24 3hr5 s VAL 146 N 2.83 4.87 -0.04 1.68 1.01 0.19 0.12 120.40 131.05 3hr5 s VAL 146 Ca 0.23 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3hr5 s VAL 146 Cb -0.14 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 3hr5 s VAL 146 CO 0.19 -1.12 -0.06 -0.75 0.00 0.00 0.00 175.10 173.35 3hr5 s LYS 147 N 2.53 2.68 -0.81 2.72 2.20 0.86 -0.70 119.74 129.23 3hr5 s LYS 147 Ca 0.12 -0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 55.09 3hr5 s LYS 147 Cb -0.23 -2.56 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 3hr5 s LYS 147 CO 0.05 0.64 0.73 -0.25 -0.36 0.00 0.00 175.35 176.16 3hr5 n ASP 148 N 1.93 -6.62 -4.43 1.43 8.00 -0.36 -0.35 116.55 116.16 3hr5 n ASP 148 Ca -0.17 -0.37 -0.22 0.00 0.71 0.00 0.00 54.79 54.74 3hr5 n ASP 148 Cb 0.53 -4.76 -0.10 0.00 -0.02 0.00 0.00 41.12 36.76 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 -3.19 2.08 -0.27 1.24 1.13 -0.75 -4.14 117.35 113.46 3hr5 s TYR 149 Ca 0.22 -0.43 -0.24 0.00 -1.41 0.00 0.00 57.07 55.21 3hr5 s TYR 149 Cb -0.03 -0.94 0.07 0.00 -1.10 0.00 0.00 41.96 39.96 3hr5 s TYR 149 CO 0.66 0.58 0.73 0.12 -2.51 0.00 0.00 175.55 175.13 3hr5 s PHE 150 N -2.69 -0.80 0.00 -3.49 2.19 -0.23 -0.27 117.98 112.68 3hr5 s PHE 150 Ca 0.27 1.92 0.00 0.00 0.33 0.00 0.00 56.93 59.45 3hr5 s PHE 150 Cb -0.03 0.31 0.00 0.00 -1.31 0.00 0.00 43.02 41.99 3hr5 s PHE 150 CO 0.12 -0.39 0.00 -0.35 1.83 0.00 0.00 175.22 176.43 3hr5 n PRO 151 N 2.83 1.03 -1.25 10.12 -0.04 -1.26 -0.60 135.00 145.82 3hr5 n PRO 151 Ca -0.15 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 3hr5 n PRO 151 Cb 0.55 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.12 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 -0.80 1.91 0.44 0.54 0.41 -1.26 -4.73 118.70 115.21 3hr5 s GLU 152 Ca 0.00 1.03 0.08 0.00 -0.41 0.00 0.00 54.97 55.67 3hr5 s GLU 152 Cb 0.00 -1.87 0.00 0.00 -1.78 0.00 0.00 34.13 30.49 3hr5 s GLU 152 CO 0.00 -1.84 0.50 -1.25 -0.49 0.00 0.00 175.26 172.18 3hr5 s PRO 153 N -4.92 2.64 0.25 0.39 0.04 -1.26 -4.92 135.00 127.23 3hr5 s PRO 153 Ca 0.62 -1.43 0.10 0.00 0.04 0.00 0.00 61.00 60.34 3hr5 s PRO 153 Cb -0.17 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.76 3hr5 s PRO 153 CO 0.56 -0.30 -0.09 0.54 0.04 0.00 0.00 177.00 177.75 3hr5 s VAL 154 N -2.44 3.06 -0.04 -0.36 0.11 -1.26 -4.49 120.40 114.98 3hr5 s VAL 154 Ca 0.52 -2.03 0.04 0.00 -2.93 0.00 0.00 61.98 57.58 3hr5 s VAL 154 Cb -0.07 -2.60 -0.00 0.00 -1.53 0.00 0.00 36.38 32.18 3hr5 s VAL 154 CO 0.31 -0.33 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.71 3hr5 s THR 155 N -2.25 1.31 -0.03 5.04 2.01 -0.53 -5.00 115.64 116.21 3hr5 s THR 155 Ca 0.29 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.65 3hr5 s THR 155 Cb -0.06 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.33 3hr5 s THR 155 CO 0.17 0.38 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.75 3hr5 s VAL 156 N 0.01 0.46 0.31 3.82 1.01 -1.26 -1.63 120.40 123.12 3hr5 s VAL 156 Ca -0.03 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3hr5 s VAL 156 Cb -0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 3hr5 s VAL 156 CO 0.02 0.19 0.14 -0.94 0.00 0.00 0.00 175.10 174.50 3hr5 s SER 157 N 0.63 1.62 -0.06 3.32 1.04 -0.73 -4.96 113.70 114.56 3hr5 s SER 157 Ca -0.08 -1.53 0.04 0.00 0.48 0.00 0.00 55.95 54.86 3hr5 s SER 157 Cb -0.11 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3hr5 s SER 157 CO -0.00 -0.85 -0.16 0.26 0.98 0.00 0.00 173.24 173.47 3hr5 s TRP 158 N -3.59 1.71 -1.61 5.02 0.52 -1.26 -0.18 118.94 119.56 3hr5 s TRP 158 Ca 0.35 -0.56 -0.07 0.00 0.02 0.00 0.00 56.10 55.84 3hr5 s TRP 158 Cb 0.05 -1.18 0.07 0.00 -1.15 0.00 0.00 33.47 31.26 3hr5 s TRP 158 CO 0.16 -0.23 0.29 0.09 0.02 0.00 0.00 176.95 177.29 3hr5 n ASN 159 N 3.39 -0.33 -1.62 2.95 3.02 0.29 -1.26 115.26 121.71 3hr5 n ASN 159 Ca -0.20 -1.19 -0.18 0.00 -0.03 0.00 0.00 54.58 52.99 3hr5 n ASN 159 Cb 0.53 -2.00 -0.05 0.00 -0.61 0.00 0.00 39.78 37.65 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 -2.79 -5.14 0.00 6.41 7.64 -1.26 -1.43 113.62 117.05 3hr5 n SER 160 Ca -0.19 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3hr5 n SER 160 Cb 0.62 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 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 -0.89 0.69 0.09 0.23 0.00 -0.39 -4.94 105.19 99.98 3hr5 n GLY 161 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 3hr5 n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hr5 n ALA 162 N -1.18 2.38 -4.09 4.61 0.00 -0.51 -4.61 120.51 117.12 3hr5 n ALA 162 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 3hr5 n ALA 162 Cb 0.00 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 17.87 3hr5 n ALA 162 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hr5 s LEU 163 N -4.41 2.54 0.00 0.00 2.96 -1.04 -4.94 118.68 113.79 3hr5 s LEU 163 Ca 0.10 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 53.11 3hr5 s LEU 163 Cb 0.13 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.36 3hr5 s LEU 163 CO 0.61 -0.08 0.00 0.35 -1.32 0.00 0.00 176.35 175.91 3hr5 n THR 164 N 4.58 0.00 -2.36 3.68 -2.24 -1.26 -4.19 114.28 112.48 3hr5 n THR 164 Ca -0.18 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 3hr5 n THR 164 Cb 0.47 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.76 7.02 0.00 3.42 0.01 -1.26 -3.13 113.70 118.00 3hr5 s SER 165 Ca 0.00 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.35 3hr5 s SER 165 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3hr5 s SER 165 CO 0.00 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.74 3hr5 n GLY 166 N 3.29 0.94 3.72 3.44 0.00 -1.26 -4.76 105.19 110.55 3hr5 n GLY 166 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3hr5 n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hr5 s VAL 167 N -3.48 5.01 -0.26 1.61 1.01 -1.18 -2.06 120.40 121.04 3hr5 s VAL 167 Ca 0.00 1.51 -0.00 0.00 0.00 0.00 0.00 61.98 63.49 3hr5 s VAL 167 Cb 0.00 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.38 3hr5 s VAL 167 CO 0.00 0.25 0.02 -1.00 0.00 0.00 0.00 175.10 174.37 3hr5 s HIS 168 N 0.74 2.05 -0.25 5.22 3.76 0.68 -4.98 115.29 122.52 3hr5 s HIS 168 Ca 0.39 -1.69 -0.20 0.00 -0.15 0.00 0.00 55.06 53.40 3hr5 s HIS 168 Cb -0.18 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.84 3hr5 s HIS 168 CO 0.19 -0.79 0.62 0.99 -0.85 0.00 0.00 174.74 174.90 3hr5 s THR 169 N 1.50 5.00 0.23 1.30 2.01 -1.26 -0.66 115.64 123.76 3hr5 s THR 169 Ca 0.01 1.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.94 3hr5 s THR 169 Cb -0.18 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.32 3hr5 s THR 169 CO -0.12 0.04 0.72 -0.36 -0.69 0.00 0.00 174.62 174.21 3hr5 s PHE 170 N 2.41 3.63 0.35 4.92 0.40 -0.32 -5.01 117.98 124.36 3hr5 s PHE 170 Ca 0.26 1.36 -0.25 0.00 -0.60 0.00 0.00 56.93 57.70 3hr5 s PHE 170 Cb -0.16 -2.60 -0.13 0.00 0.51 0.00 0.00 43.02 40.64 3hr5 s PHE 170 CO 0.09 0.32 0.76 -2.30 0.70 0.00 0.00 175.22 174.79 3hr5 n PRO 171 N 0.64 0.86 -1.96 0.24 -0.02 -1.26 -4.61 135.00 128.89 3hr5 n PRO 171 Ca -0.02 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.41 3hr5 n PRO 171 Cb 0.51 -1.62 0.04 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.24 2.51 -0.13 3.55 0.00 -1.26 -4.81 121.76 120.37 3hr5 s ALA 172 Ca 0.62 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 53.53 3hr5 s ALA 172 Cb -0.68 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 18.99 3hr5 s ALA 172 CO 0.58 -1.21 -0.12 0.08 0.00 0.00 0.00 175.76 175.09 3hr5 s VAL 173 N -1.68 3.08 -0.31 0.00 1.01 -0.24 -4.95 120.40 117.31 3hr5 s VAL 173 Ca 0.76 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 3hr5 s VAL 173 Cb -0.29 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3hr5 s VAL 173 CO 0.34 0.52 1.19 -0.22 0.00 0.00 0.00 175.10 176.93 3hr5 s LEU 174 N 0.40 3.90 0.59 3.92 1.98 -1.26 -1.74 118.68 126.47 3hr5 s LEU 174 Ca -0.10 1.11 -0.09 0.00 -2.89 0.00 0.00 54.13 52.16 3hr5 s LEU 174 Cb -0.16 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.11 3hr5 s LEU 174 CO 0.05 -0.99 0.97 -1.10 -1.89 0.00 0.00 176.35 173.39 3hr5 s GLN 175 N 3.93 3.54 0.63 1.98 -0.21 0.23 -4.93 119.66 124.84 3hr5 s GLN 175 Ca 0.51 0.59 0.30 0.00 0.02 0.00 0.00 55.36 56.77 3hr5 s GLN 175 Cb -0.14 -2.16 1.61 0.00 1.00 0.00 0.00 33.01 33.33 3hr5 s GLN 175 CO 0.20 -0.50 1.95 1.03 -2.12 0.00 0.00 175.29 175.85 3hr5 h SER 176 N -0.19 0.00 1.23 5.90 0.87 -1.96 0.33 113.55 119.73 3hr5 h SER 176 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3hr5 h SER 176 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3hr5 h SER 176 CO 0.62 0.00 0.00 -1.54 -0.53 0.00 0.00 176.83 175.38 3hr5 n SER 177 N -3.26 0.59 0.00 6.23 3.41 -1.26 -4.90 113.62 114.43 3hr5 n SER 177 Ca 0.01 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3hr5 n SER 177 Cb 0.45 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 1.11 0.75 3.82 5.00 0.00 0.12 -5.07 105.19 110.92 3hr5 n GLY 178 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 3.98 0.26 0.99 1.02 -1.25 -4.83 118.68 118.84 3hr5 s LEU 179 Ca 0.00 0.08 -0.11 0.00 0.02 0.00 0.00 54.13 54.12 3hr5 s LEU 179 Cb 0.00 -2.63 -0.08 0.00 0.02 0.00 0.00 46.19 43.51 3hr5 s LEU 179 CO 0.00 0.17 0.60 -0.31 0.02 0.00 0.00 176.35 176.83 3hr5 s TYR 180 N -1.42 3.41 -0.01 0.29 2.02 0.62 -0.60 117.35 121.66 3hr5 s TYR 180 Ca 0.31 0.95 -0.01 0.00 -0.37 0.00 0.00 57.07 57.95 3hr5 s TYR 180 Cb -0.12 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.12 3hr5 s TYR 180 CO 0.24 0.21 0.03 0.45 -1.57 0.00 0.00 175.55 174.91 3hr5 s SER 181 N -2.39 -0.02 0.02 2.29 0.15 -0.71 -1.22 113.70 111.81 3hr5 s SER 181 Ca 0.49 0.06 -0.06 0.00 0.70 0.00 0.00 55.95 57.14 3hr5 s SER 181 Cb -0.11 0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.25 3hr5 s SER 181 CO 0.21 -0.03 0.11 -1.48 1.20 0.00 0.00 173.24 173.25 3hr5 s LEU 182 N 0.15 1.72 -0.09 3.45 0.05 0.12 -1.08 118.68 123.00 3hr5 s LEU 182 Ca -0.01 -0.39 -0.02 0.00 0.05 0.00 0.00 54.13 53.76 3hr5 s LEU 182 Cb -0.02 0.60 -0.03 0.00 -2.05 0.00 0.00 46.19 44.69 3hr5 s LEU 182 CO -0.00 -0.44 0.00 -0.44 -0.55 0.00 0.00 176.35 174.92 3hr5 s SER 183 N -1.76 5.24 -0.09 1.48 0.01 -1.26 0.52 113.70 117.85 3hr5 s SER 183 Ca -0.10 0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.35 3hr5 s SER 183 Cb -0.05 -1.48 -0.00 0.00 0.21 0.00 0.00 66.02 64.70 3hr5 s SER 183 CO -0.02 0.38 -0.24 -0.55 0.41 0.00 0.00 173.24 173.22 3hr5 s SER 184 N -0.89 3.05 0.09 2.44 0.15 -0.27 -1.17 113.70 117.10 3hr5 s SER 184 Ca 0.13 -0.54 0.05 0.00 0.70 0.00 0.00 55.95 56.29 3hr5 s SER 184 Cb -0.11 -1.24 -0.03 0.00 -1.71 0.00 0.00 66.02 62.92 3hr5 s SER 184 CO 0.02 0.18 -0.13 0.54 1.20 0.00 0.00 173.24 175.06 3hr5 s VAL 185 N 0.21 1.10 -0.10 4.45 0.11 0.17 -0.18 120.40 126.17 3hr5 s VAL 185 Ca -0.15 -1.53 -0.06 0.00 -2.93 0.00 0.00 61.98 57.31 3hr5 s VAL 185 Cb -0.17 -1.28 0.04 0.00 -1.53 0.00 0.00 36.38 33.44 3hr5 s VAL 185 CO 0.07 -0.39 0.24 0.54 -3.33 0.00 0.00 175.10 172.23 3hr5 s VAL 186 N -1.90 -0.02 -0.19 2.04 0.11 0.50 -0.23 120.40 120.71 3hr5 s VAL 186 Ca 0.03 0.09 -0.12 0.00 -2.93 0.00 0.00 61.98 59.05 3hr5 s VAL 186 Cb -0.06 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 3hr5 s VAL 186 CO 0.02 0.04 0.19 0.42 -3.33 0.00 0.00 175.10 172.44 3hr5 s THR 187 N 0.79 5.37 0.32 5.04 -4.23 -0.88 -1.21 115.64 120.83 3hr5 s THR 187 Ca -0.05 0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.81 3hr5 s THR 187 Cb -0.07 -3.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.19 3hr5 s THR 187 CO -0.05 0.42 0.09 0.68 -0.54 0.00 0.00 174.62 175.22 3hr5 s VAL 188 N 0.43 0.82 0.09 2.29 -7.23 0.52 -4.62 120.40 112.70 3hr5 s VAL 188 Ca 0.11 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.98 3hr5 s VAL 188 Cb -0.12 -2.65 -0.07 0.00 0.56 0.00 0.00 36.38 34.11 3hr5 s VAL 188 CO 0.00 0.00 1.27 -2.84 -0.31 0.00 0.00 175.10 173.22 3hr5 s PRO 189 N -3.90 4.39 0.53 4.82 0.02 -1.26 -1.04 135.00 138.56 3hr5 s PRO 189 Ca 0.35 1.90 0.29 0.00 0.02 0.00 0.00 61.00 63.56 3hr5 s PRO 189 Cb 0.07 -3.30 1.44 0.00 0.02 0.00 0.00 34.50 32.74 3hr5 s PRO 189 CO 0.15 -0.31 1.92 0.77 -0.33 0.00 0.00 177.00 179.20 3hr5 h SER 190 N 6.64 0.01 0.99 2.53 0.02 -1.77 -0.46 113.55 121.50 3hr5 h SER 190 Ca -0.42 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 3hr5 h SER 190 Cb 1.21 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 3hr5 h SER 190 CO 0.82 0.01 -0.13 0.77 -1.14 0.00 0.00 176.83 177.16 3hr5 h SER 191 N 0.01 0.00 1.58 3.07 4.64 -1.87 -3.18 113.55 117.80 3hr5 h SER 191 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3hr5 h SER 191 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 3hr5 h SER 191 CO -0.01 0.13 -0.16 0.77 -0.87 0.00 0.00 176.83 176.69 3hr5 h SER 192 N 0.00 0.00 -2.53 4.97 4.64 -1.46 -3.43 113.55 115.73 3hr5 h SER 192 Ca -0.00 -0.02 -0.53 0.00 -0.47 0.00 0.00 61.79 60.76 3hr5 h SER 192 Cb 0.66 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3hr5 h SER 192 CO 0.02 0.01 1.12 -0.76 -0.87 0.00 0.00 176.83 176.35 3hr5 s LEU 193 N -5.26 4.39 0.00 5.97 1.43 -1.20 -0.60 118.68 123.41 3hr5 s LEU 193 Ca 0.08 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 3hr5 s LEU 193 Cb 0.09 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3hr5 s LEU 193 CO 0.66 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.87 3hr5 n GLY 194 N 4.26 1.98 0.33 -3.19 0.00 -1.26 -4.80 105.19 102.51 3hr5 n GLY 194 Ca 0.18 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 3hr5 n GLY 194 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hr5 h THR 195 N 0.00 1.25 -2.86 2.61 1.35 -1.77 -3.42 112.91 110.08 3hr5 h THR 195 Ca 0.00 -0.75 -0.64 0.00 -0.55 0.00 0.00 66.41 64.47 3hr5 h THR 195 Cb 0.00 0.30 -0.08 0.00 -1.73 0.00 0.00 68.15 66.65 3hr5 h THR 195 CO 0.00 0.31 -0.41 -1.10 -0.25 0.00 0.00 175.52 174.07 3hr5 s GLN 196 N -5.63 3.71 -0.10 4.72 -1.52 0.23 -5.10 119.66 115.98 3hr5 s GLN 196 Ca -0.13 -0.01 -0.08 0.00 -1.95 0.00 0.00 55.36 53.19 3hr5 s GLN 196 Cb 0.15 -3.25 -0.04 0.00 -0.22 0.00 0.00 33.01 29.65 3hr5 s GLN 196 CO 0.83 0.65 0.19 0.95 -0.25 0.00 0.00 175.29 177.65 3hr5 s THR 197 N -0.72 5.42 -0.16 -0.19 -4.23 -1.26 -4.72 115.64 109.78 3hr5 s THR 197 Ca 0.16 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.01 3hr5 s THR 197 Cb -0.13 -3.46 0.02 0.00 1.34 0.00 0.00 72.50 70.27 3hr5 s THR 197 CO 0.05 0.61 -0.19 -0.31 -0.54 0.00 0.00 174.62 174.24 3hr5 s TYR 198 N -1.01 2.58 -0.10 3.99 2.02 -1.26 -4.95 117.35 118.62 3hr5 s TYR 198 Ca 0.16 -1.42 0.01 0.00 -0.37 0.00 0.00 57.07 55.45 3hr5 s TYR 198 Cb -0.13 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 3hr5 s TYR 198 CO 0.06 -0.70 -0.13 0.42 -1.57 0.00 0.00 175.55 173.63 3hr5 s ILE 199 N 1.14 1.29 -0.10 2.71 1.01 -1.26 -1.09 121.20 124.90 3hr5 s ILE 199 Ca 0.00 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.95 3hr5 s ILE 199 Cb -0.14 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3hr5 s ILE 199 CO -0.08 0.40 0.47 0.00 0.00 0.00 0.00 174.94 175.73 3hr5 s ASN 201 N 0.34 5.97 -0.17 0.00 -0.87 0.75 -1.12 114.94 119.84 3hr5 s ASN 201 Ca 0.26 -1.10 -0.05 0.00 -1.57 0.00 0.00 52.86 50.40 3hr5 s ASN 201 Cb -0.15 -2.11 -0.03 0.00 -0.02 0.00 0.00 41.25 38.93 3hr5 s ASN 201 CO 0.11 -0.49 0.01 -0.69 -2.57 0.00 0.00 177.10 173.46 3hr5 s VAL 202 N 1.61 4.30 -0.11 1.60 1.01 0.09 -1.78 120.40 127.13 3hr5 s VAL 202 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3hr5 s VAL 202 Cb -0.21 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.29 3hr5 s VAL 202 CO 0.07 0.48 -0.10 0.21 0.00 0.00 0.00 175.10 175.77 3hr5 s ASN 203 N 0.33 2.15 -0.74 3.32 2.47 -0.64 -1.00 114.94 120.82 3hr5 s ASN 203 Ca -0.01 -0.33 0.02 0.00 0.42 0.00 0.00 52.86 52.96 3hr5 s ASN 203 Cb -0.13 -0.88 0.18 0.00 -1.45 0.00 0.00 41.25 38.97 3hr5 s ASN 203 CO 0.02 -0.07 0.56 -2.28 -3.72 0.00 0.00 177.10 171.60 3hr5 s HIS 204 N 1.43 3.62 0.30 0.43 5.65 0.14 -1.45 115.29 125.40 3hr5 s HIS 204 Ca 0.00 -3.14 0.05 0.00 0.25 0.00 0.00 55.06 52.23 3hr5 s HIS 204 Cb -0.13 -2.97 0.75 0.00 -1.18 0.00 0.00 32.58 29.04 3hr5 s HIS 204 CO -0.06 -0.67 1.72 0.87 -0.65 0.00 0.00 174.74 175.95 3hr5 h LYS 205 N 5.95 0.48 -0.33 2.88 1.57 -1.79 -1.95 116.57 123.38 3hr5 h LYS 205 Ca 0.10 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 3hr5 h LYS 205 Cb 0.82 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 3hr5 h LYS 205 CO 0.76 0.32 0.24 -1.35 -0.57 0.00 0.00 179.45 178.85 3hr5 h PRO 206 N 0.50 0.00 -0.37 3.15 0.11 -1.91 -2.09 132.00 131.39 3hr5 h PRO 206 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 3hr5 h PRO 206 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hr5 h PRO 206 CO -0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.18 3hr5 n SER 207 N -4.43 3.05 -3.54 -2.05 3.41 -0.78 -4.97 113.62 104.31 3hr5 n SER 207 Ca 0.05 -1.91 -0.21 0.00 -0.26 0.00 0.00 58.87 56.54 3hr5 n SER 207 Cb 0.42 -0.24 0.08 0.00 -0.26 0.00 0.00 64.21 64.20 3hr5 n SER 207 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hr5 n ASN 208 N 0.91 -4.45 -4.33 4.04 5.15 -0.79 -4.86 115.26 110.94 3hr5 n ASN 208 Ca 0.14 -0.58 -0.33 0.00 -0.60 0.00 0.00 54.58 53.21 3hr5 n ASN 208 Cb 0.47 -5.04 -0.14 0.00 -0.53 0.00 0.00 39.78 34.54 3hr5 n ASN 208 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3hr5 s THR 209 N -3.34 3.02 -0.10 -0.44 2.01 -0.91 -5.01 115.64 110.87 3hr5 s THR 209 Ca 0.33 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 3hr5 s THR 209 Cb -0.15 -2.30 0.04 0.00 0.01 0.00 0.00 72.50 70.10 3hr5 s THR 209 CO 0.73 0.50 0.03 -0.75 -0.69 0.00 0.00 174.62 174.44 3hr5 s LYS 210 N 0.75 0.40 -0.04 4.92 2.20 -1.26 0.24 119.74 126.95 3hr5 s LYS 210 Ca -0.05 0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.64 3hr5 s LYS 210 Cb -0.15 -1.15 0.01 0.00 -1.51 0.00 0.00 37.83 35.03 3hr5 s LYS 210 CO 0.01 -0.41 -0.08 0.08 -0.36 0.00 0.00 175.35 174.59 3hr5 s VAL 211 N 2.02 0.78 -0.34 4.02 1.01 -0.17 -5.00 120.40 122.71 3hr5 s VAL 211 Ca 0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 3hr5 s VAL 211 Cb -0.13 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.52 3hr5 s VAL 211 CO -0.06 0.27 0.19 -1.81 0.00 0.00 0.00 175.10 173.69 3hr5 s ASP 212 N 0.58 5.72 -0.26 3.32 1.01 -1.26 -0.73 116.67 125.05 3hr5 s ASP 212 Ca -0.10 -0.69 -0.01 0.00 0.71 0.00 0.00 52.55 52.46 3hr5 s ASP 212 Cb -0.13 -2.04 0.03 0.00 1.01 0.00 0.00 42.92 41.80 3hr5 s ASP 212 CO 0.01 -0.28 -0.06 -0.75 0.21 0.00 0.00 175.17 174.31 3hr5 s LYS 213 N 1.61 2.71 0.02 8.23 2.47 -0.28 -4.95 119.74 129.56 3hr5 s LYS 213 Ca 0.04 -1.06 -0.30 0.00 -1.56 0.00 0.00 55.97 53.09 3hr5 s LYS 213 Cb -0.18 -3.01 -0.04 0.00 -1.46 0.00 0.00 37.83 33.15 3hr5 s LYS 213 CO 0.07 -0.45 0.96 0.21 0.16 0.00 0.00 175.35 176.30 3hr5 s LYS 214 N 1.29 4.58 -0.13 4.03 2.20 -1.26 -1.12 119.74 129.33 3hr5 s LYS 214 Ca -0.02 1.39 0.02 0.00 -0.36 0.00 0.00 55.97 57.00 3hr5 s LYS 214 Cb -0.17 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 3hr5 s LYS 214 CO -0.04 0.01 -0.20 0.08 -0.36 0.00 0.00 175.35 174.84 3hr5 s VAL 215 N 0.81 2.35 0.17 4.02 1.01 -0.25 -4.98 120.40 123.53 3hr5 s VAL 215 Ca 0.50 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3hr5 s VAL 215 Cb -0.21 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3hr5 s VAL 215 CO 0.28 0.54 0.30 -1.83 0.00 0.00 0.00 175.10 174.39 3hr5 s GLU 216 N 0.58 1.17 0.33 2.72 -1.05 -1.26 -4.29 118.70 116.90 3hr5 s GLU 216 Ca -0.11 -1.15 -0.29 0.00 -0.15 0.00 0.00 54.97 53.26 3hr5 s GLU 216 Cb -0.16 0.39 -0.11 0.00 -0.44 0.00 0.00 34.13 33.80 3hr5 s GLU 216 CO 0.03 -0.43 1.56 -2.14 0.95 0.00 0.00 175.26 175.23 3hr5 s PRO 217 N -3.96 4.11 0.15 -4.83 0.02 -1.26 -4.36 135.00 124.86 3hr5 s PRO 217 Ca 0.16 2.59 0.02 0.00 0.02 0.00 0.00 61.00 63.80 3hr5 s PRO 217 Cb 0.03 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.52 3hr5 s PRO 217 CO -0.00 -0.60 0.29 -1.59 -0.33 0.00 0.00 177.00 174.76 3hr5 s LYS 218 N -1.16 3.44 0.41 5.54 -2.85 -1.26 -4.99 119.74 118.87 3hr5 s LYS 218 Ca 0.59 -0.59 0.17 0.00 -1.00 0.00 0.00 55.97 55.14 3hr5 s LYS 218 Cb -0.48 -2.96 0.93 0.00 -2.06 0.00 0.00 37.83 33.26 3hr5 s LYS 218 CO 0.54 0.52 1.45 1.03 0.10 0.00 0.00 175.35 179.00 3hr5 h SER 219 N 2.15 0.00 0.00 0.03 0.87 -2.01 -3.49 113.55 111.11 3hr5 h SER 219 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 3hr5 h SER 219 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 3hr5 h SER 219 CO 0.69 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.99