#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h74 n LEU 1 N 0.00 0.61 -3.67 -3.43 4.77 -0.31 -4.93 117.00 110.04 3h74 n LEU 1 Ca 0.00 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.18 3h74 n LEU 1 Cb 0.00 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 3h74 n LEU 1 CO 0.00 -0.12 0.89 -0.94 -1.33 0.00 0.00 177.39 175.89 3h74 s SER 2 N -5.01 -0.14 0.55 -1.43 1.04 -1.25 -5.07 113.70 102.40 3h74 s SER 2 Ca -0.02 -0.23 0.06 0.00 0.48 0.00 0.00 55.95 56.24 3h74 s SER 2 Cb 0.11 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.60 3h74 s SER 2 CO 0.82 -0.57 0.47 0.41 0.98 0.00 0.00 173.24 175.35 3h74 n THR 3 N -0.43 0.00 -3.76 2.02 -1.04 -1.26 -0.88 114.28 108.93 3h74 n THR 3 Ca -0.07 -2.12 -0.15 0.00 -2.04 0.00 0.00 64.05 59.67 3h74 n THR 3 Cb 0.61 -0.11 -0.16 0.00 -1.82 0.00 0.00 70.33 68.86 3h74 n THR 3 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3h74 s LEU 5 N 0.00 0.94 -0.21 -4.42 2.96 -0.14 -1.53 118.68 116.28 3h74 s LEU 5 Ca 0.36 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 3h74 s LEU 5 Cb -0.03 0.06 0.04 0.00 0.50 0.00 0.00 46.19 46.77 3h74 s LEU 5 CO 0.23 -0.14 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.32 3h74 s VAL 6 N 1.13 1.78 -0.28 1.68 1.01 0.07 -0.18 120.40 125.63 3h74 s VAL 6 Ca -0.09 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.74 3h74 s VAL 6 Cb -0.13 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.45 3h74 s VAL 6 CO -0.04 0.15 -0.04 0.00 0.00 0.00 0.00 175.10 175.17 3h74 s ALA 7 N 1.33 2.72 0.28 5.51 0.00 -0.45 -0.76 121.76 130.39 3h74 s ALA 7 Ca -0.02 -1.69 -0.18 0.00 0.00 0.00 0.00 51.96 50.07 3h74 s ALA 7 Cb -0.17 -1.79 0.07 0.00 0.00 0.00 0.00 23.12 21.23 3h74 s ALA 7 CO -0.08 -1.14 0.88 -0.85 0.00 0.00 0.00 175.76 174.57 3h74 n GLU 8 N 4.59 0.85 -2.13 0.00 0.28 -0.99 -0.83 120.64 122.40 3h74 n GLU 8 Ca -0.14 -1.77 -0.34 0.00 -0.16 0.00 0.00 57.16 54.74 3h74 n GLU 8 Cb 0.44 2.29 0.01 0.00 1.43 0.00 0.00 31.44 35.61 3h74 n GLU 8 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 3h74 s ASP 9 N -3.18 5.58 -0.21 -1.84 -4.77 -1.23 -1.21 116.67 109.82 3h74 s ASP 9 Ca 0.19 2.12 0.02 0.00 -3.30 0.00 0.00 52.55 51.57 3h74 s ASP 9 Cb -0.04 -2.57 0.03 0.00 -1.09 0.00 0.00 42.92 39.25 3h74 s ASP 9 CO 0.08 -1.31 -0.17 -0.22 0.70 0.00 0.00 175.17 174.25 3h74 s LEU 10 N -4.08 2.55 -0.17 2.11 2.96 -0.38 -1.99 118.68 119.68 3h74 s LEU 10 Ca 0.71 -0.89 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 3h74 s LEU 10 Cb -0.23 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3h74 s LEU 10 CO 0.31 -0.06 0.03 -0.94 -1.32 0.00 0.00 176.35 174.36 3h74 s SER 11 N 1.23 5.33 0.11 3.68 1.04 -1.26 -0.92 113.70 122.91 3h74 s SER 11 Ca 0.01 0.01 -0.21 0.00 0.48 0.00 0.00 55.95 56.24 3h74 s SER 11 Cb -0.15 -1.89 -0.10 0.00 0.10 0.00 0.00 66.02 63.97 3h74 s SER 11 CO -0.10 0.18 1.75 0.00 0.98 0.00 0.00 173.24 176.05 3h74 h ALA 12 N 6.64 0.15 -3.15 5.32 0.00 -1.09 -3.40 119.26 123.72 3h74 h ALA 12 Ca -0.35 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 53.90 3h74 h ALA 12 Cb 1.18 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 3h74 h ALA 12 CO 0.68 -0.36 -0.55 0.08 0.00 0.00 0.00 179.25 179.10 3h74 s VAL 13 N -6.13 4.88 0.00 0.00 1.01 -0.94 -4.74 120.40 114.47 3h74 s VAL 13 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3h74 s VAL 13 Cb 0.07 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3h74 s VAL 13 CO 0.68 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.91 3h74 n GLY 14 N 2.92 0.85 3.61 4.51 0.00 -1.26 -2.23 105.19 113.60 3h74 n GLY 14 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 3h74 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h74 n GLY 15 N 0.00 -0.48 1.75 -0.02 0.00 -1.26 -0.09 105.19 105.08 3h74 n GLY 15 Ca 0.00 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 3h74 n GLY 15 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3h74 n ILE 16 N -4.72 0.00 0.00 -0.61 -5.35 -1.26 -3.49 119.36 103.93 3h74 n ILE 16 Ca -0.07 -1.21 0.00 0.00 -0.27 0.00 0.00 62.75 61.19 3h74 n ILE 16 Cb 0.59 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 3h74 n ILE 16 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3h74 n SER 17 N -1.61 0.00 0.01 7.28 3.41 -1.26 -1.72 113.62 119.72 3h74 n SER 17 Ca -0.05 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.57 3h74 n SER 17 Cb 0.32 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.62 3h74 n SER 17 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3h74 h LEU 18 N 0.00 0.46 -2.09 1.04 5.85 -1.71 0.57 115.31 119.44 3h74 h LEU 18 Ca 0.00 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3h74 h LEU 18 Cb 0.00 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3h74 h LEU 18 CO 0.00 0.47 -0.08 0.77 -0.34 0.00 0.00 178.44 179.26 3h74 h SER 19 N 0.50 0.00 0.09 1.25 4.64 -1.60 -0.97 113.55 117.46 3h74 h SER 19 Ca 0.12 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.10 3h74 h SER 19 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3h74 h SER 19 CO -0.00 0.08 -1.85 -1.20 -0.87 0.00 0.00 176.83 172.98 3h74 n SER 20 N -3.89 2.05 -0.23 4.97 7.64 -0.49 -4.31 113.62 119.37 3h74 n SER 20 Ca -0.02 0.25 -0.04 0.00 1.01 0.00 0.00 58.87 60.07 3h74 n SER 20 Cb 0.17 -0.87 0.13 0.00 -1.01 0.00 0.00 64.21 62.62 3h74 n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h74 h ALA 21 N -0.09 1.14 0.54 -0.43 0.00 -0.73 -2.75 119.26 116.95 3h74 h ALA 21 Ca -0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 3h74 h ALA 21 Cb 1.84 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3h74 h ALA 21 CO -0.00 0.61 -0.33 -0.07 0.00 0.00 0.00 179.25 179.45 3h74 h LEU 22 N 1.02 -0.84 -0.63 0.00 3.38 -1.39 -0.42 115.31 116.43 3h74 h LEU 22 Ca 0.23 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.29 3h74 h LEU 22 Cb 0.22 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3h74 h LEU 22 CO -0.02 -0.52 0.37 -0.65 0.09 0.00 0.00 178.44 177.71 3h74 h PRO 23 N -0.83 0.69 0.04 1.13 0.11 -1.74 -0.99 132.00 130.41 3h74 h PRO 23 Ca -0.06 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3h74 h PRO 23 Cb 0.68 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3h74 h PRO 23 CO 0.06 0.46 -0.02 0.28 -0.21 0.00 0.00 178.00 178.57 3h74 h VAL 24 N 0.71 1.04 -0.02 3.15 2.07 -1.32 -0.84 116.25 121.03 3h74 h VAL 24 Ca 0.27 -0.25 -0.17 0.00 0.82 0.00 0.00 66.70 67.37 3h74 h VAL 24 Cb 0.09 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3h74 h VAL 24 CO -0.14 0.06 -0.75 -0.07 0.02 0.00 0.00 177.57 176.70 3h74 h LEU 25 N -0.17 0.22 -0.40 2.57 3.38 -1.05 -2.73 115.31 117.13 3h74 h LEU 25 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3h74 h LEU 25 Cb 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3h74 h LEU 25 CO 0.01 0.88 0.25 0.74 0.09 0.00 0.00 178.44 180.41 3h74 h THR 26 N 0.12 1.12 0.00 0.22 2.02 -1.13 -2.19 112.91 113.08 3h74 h THR 26 Ca -0.02 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3h74 h THR 26 Cb 1.31 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3h74 h THR 26 CO 0.11 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.12 3h74 n ALA 27 N -2.22 1.71 -2.42 6.16 0.00 -0.33 -3.99 120.51 119.42 3h74 n ALA 27 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 3h74 n ALA 27 Cb 0.05 -1.90 0.01 0.00 0.00 0.00 0.00 19.45 17.60 3h74 n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h74 n GLN 29 N 1.94 0.41 -3.84 0.00 6.02 -1.05 -4.76 117.38 116.09 3h74 n GLN 29 Ca 0.00 -1.85 -0.36 0.00 -0.01 0.00 0.00 57.00 54.78 3h74 n GLN 29 Cb 0.04 -0.05 -0.06 0.00 1.02 0.00 0.00 30.24 31.19 3h74 n GLN 29 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3h74 s TYR 30 N -0.57 3.60 -0.64 1.08 2.02 -0.85 -1.17 117.35 120.82 3h74 s TYR 30 Ca 0.20 0.54 -0.28 0.00 -0.37 0.00 0.00 57.07 57.16 3h74 s TYR 30 Cb 0.27 -1.95 0.02 0.00 -0.40 0.00 0.00 41.96 39.90 3h74 s TYR 30 CO -0.10 0.70 1.30 0.34 -1.57 0.00 0.00 175.55 176.22 3h74 s ASP 31 N -1.28 6.22 -0.17 2.29 2.15 -0.06 -4.38 116.67 121.45 3h74 s ASP 31 Ca 0.19 -0.07 -0.21 0.00 0.43 0.00 0.00 52.55 52.89 3h74 s ASP 31 Cb -0.13 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 3h74 s ASP 31 CO 0.09 -1.71 0.62 -0.69 -0.17 0.00 0.00 175.17 173.31 3h74 s VAL 32 N 5.65 5.04 -0.53 1.11 1.01 -1.26 -4.31 120.40 127.11 3h74 s VAL 32 Ca 0.42 1.19 -0.20 0.00 0.00 0.00 0.00 61.98 63.40 3h74 s VAL 32 Cb -0.08 -3.94 0.06 0.00 0.00 0.00 0.00 36.38 32.41 3h74 s VAL 32 CO 0.21 0.15 0.72 0.00 0.00 0.00 0.00 175.10 176.18 3h74 s ALA 33 N 1.63 3.33 -0.61 5.51 0.00 -1.26 -5.00 121.76 125.36 3h74 s ALA 33 Ca 0.29 -1.69 -0.17 0.00 0.00 0.00 0.00 51.96 50.39 3h74 s ALA 33 Cb -0.16 -3.48 0.13 0.00 0.00 0.00 0.00 23.12 19.61 3h74 s ALA 33 CO 0.11 -2.16 0.65 0.00 0.00 0.00 0.00 175.76 174.36 3h74 s ALA 34 N 2.99 3.56 -0.41 0.00 0.00 -1.26 -0.75 121.76 125.90 3h74 s ALA 34 Ca 0.18 -2.47 -0.07 0.00 0.00 0.00 0.00 51.96 49.60 3h74 s ALA 34 Cb -0.18 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.56 3h74 s ALA 34 CO 0.13 -2.25 0.22 -1.17 0.00 0.00 0.00 175.76 172.69 3h74 s LEU 35 N 2.06 5.04 0.21 0.00 2.96 0.06 -5.01 118.68 124.00 3h74 s LEU 35 Ca 0.10 -1.56 -0.31 0.00 -0.22 0.00 0.00 54.13 52.14 3h74 s LEU 35 Cb -0.24 -1.94 -0.10 0.00 0.50 0.00 0.00 46.19 44.41 3h74 s LEU 35 CO 0.03 -0.51 1.50 -2.84 -1.32 0.00 0.00 176.35 173.21 3h74 s PRO 36 N 1.36 4.24 0.16 0.98 0.02 -1.26 -2.34 135.00 138.17 3h74 s PRO 36 Ca 0.03 2.33 0.23 0.00 0.02 0.00 0.00 61.00 63.61 3h74 s PRO 36 Cb -0.23 -3.13 0.06 0.00 0.02 0.00 0.00 34.50 31.22 3h74 s PRO 36 CO 0.01 -0.52 1.07 0.25 -0.33 0.00 0.00 177.00 177.49 3h74 n THR 37 N 3.13 0.49 -3.63 0.99 -2.24 -0.35 -4.87 114.28 107.80 3h74 n THR 37 Ca 0.10 -0.46 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 3h74 n THR 37 Cb 0.39 -0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 3h74 n THR 37 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3h74 s SER 38 N -4.93 -0.53 -0.13 3.42 0.15 -1.26 -4.48 113.70 105.94 3h74 s SER 38 Ca 0.01 0.72 0.01 0.00 0.70 0.00 0.00 55.95 57.38 3h74 s SER 38 Cb 0.11 0.70 0.02 0.00 -1.71 0.00 0.00 66.02 65.14 3h74 s SER 38 CO 0.78 -0.44 -0.14 -0.22 1.20 0.00 0.00 173.24 174.43 3h74 s LEU 39 N -0.74 1.64 0.07 3.45 2.96 -1.23 -1.24 118.68 123.59 3h74 s LEU 39 Ca -0.08 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.46 3h74 s LEU 39 Cb -0.03 -1.09 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 3h74 s LEU 39 CO 0.06 -0.03 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.13 3h74 s LEU 40 N 1.28 2.25 0.24 -0.68 1.02 -0.10 -0.59 118.68 122.10 3h74 s LEU 40 Ca -0.00 -0.59 -0.05 0.00 0.02 0.00 0.00 54.13 53.50 3h74 s LEU 40 Cb -0.14 -0.68 0.24 0.00 0.02 0.00 0.00 46.19 45.64 3h74 s LEU 40 CO -0.06 0.01 1.79 0.77 0.02 0.00 0.00 176.35 178.88 3h74 h SER 41 N 4.44 1.00 -5.30 2.29 4.64 -1.37 -0.23 113.55 119.01 3h74 h SER 41 Ca -0.42 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 60.63 3h74 h SER 41 Cb 1.18 -0.26 -0.12 0.00 -0.31 0.00 0.00 62.40 62.89 3h74 h SER 41 CO 0.41 0.91 -0.32 0.42 -0.87 0.00 0.00 176.83 177.38 3h74 s THR 42 N -5.43 0.04 1.09 2.95 -4.23 -1.26 -2.21 115.64 106.59 3h74 s THR 42 Ca -0.11 -1.47 -0.15 0.00 -1.18 0.00 0.00 61.69 58.77 3h74 s THR 42 Cb 0.16 -2.00 0.23 0.00 1.34 0.00 0.00 72.50 72.23 3h74 s THR 42 CO 0.83 -0.20 1.10 -1.38 -0.54 0.00 0.00 174.62 174.43 3h74 s HIS 43 N -4.00 1.44 -1.79 3.99 -3.43 -0.95 -4.81 115.29 105.74 3h74 s HIS 43 Ca 0.21 0.78 0.12 0.00 -0.80 0.00 0.00 55.06 55.37 3h74 s HIS 43 Cb 0.03 -3.34 0.38 0.00 -1.43 0.00 0.00 32.58 28.22 3h74 s HIS 43 CO 0.03 -3.34 1.29 0.25 -2.00 0.00 0.00 174.74 170.98 3h74 n THR 44 N -4.44 0.71 -3.89 -5.38 -2.24 -1.26 -4.57 114.28 93.20 3h74 n THR 44 Ca 0.08 -0.59 -0.29 0.00 -2.27 0.00 0.00 64.05 60.97 3h74 n THR 44 Cb 0.58 0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 68.87 3h74 n THR 44 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3h74 s SER 45 N -0.92 4.78 0.00 3.42 0.01 -1.26 -4.81 113.70 114.92 3h74 s SER 45 Ca 0.28 -3.60 0.00 0.00 1.31 0.00 0.00 55.95 53.95 3h74 s SER 45 Cb 0.16 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.73 3h74 s SER 45 CO 0.18 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.30 3h74 n GLY 46 N 2.34 0.94 0.87 3.44 0.00 -1.26 -4.88 105.19 106.64 3h74 n GLY 46 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 3h74 n GLY 46 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h74 n TYR 47 N -0.49 0.43 -0.59 1.61 4.01 -1.26 -5.09 117.16 115.79 3h74 n TYR 47 Ca 0.00 -0.30 0.04 0.00 -0.16 0.00 0.00 57.90 57.48 3h74 n TYR 47 Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.01 3h74 n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h74 n GLY 48 N 1.04 -2.17 3.64 2.72 0.00 -1.26 -4.85 105.19 104.30 3h74 n GLY 48 Ca 0.15 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 3h74 n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h74 s THR 49 N -1.14 3.07 0.69 2.61 2.01 -1.26 -4.91 115.64 116.72 3h74 s THR 49 Ca 0.00 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 3h74 s THR 49 Cb 0.00 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.45 3h74 s THR 49 CO 0.00 -0.02 1.07 -2.16 -0.69 0.00 0.00 174.62 172.81 3h74 s PRO 50 N 5.09 2.97 -0.25 4.92 0.04 -1.26 -5.04 135.00 141.47 3h74 s PRO 50 Ca 0.91 0.69 -0.20 0.00 0.04 0.00 0.00 61.00 62.44 3h74 s PRO 50 Cb -0.38 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 3h74 s PRO 50 CO 0.38 -1.01 0.62 0.00 0.04 0.00 0.00 177.00 177.04 3h74 s ALA 51 N -3.20 3.61 -0.05 8.56 0.00 -1.26 -4.91 121.76 124.50 3h74 s ALA 51 Ca 0.58 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.13 3h74 s ALA 51 Cb -0.12 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3h74 s ALA 51 CO 0.54 -0.78 -0.15 0.08 0.00 0.00 0.00 175.76 175.45 3h74 s VAL 52 N 2.44 1.28 -0.14 0.00 1.01 -1.26 -0.97 120.40 122.76 3h74 s VAL 52 Ca 0.26 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.44 3h74 s VAL 52 Cb -0.16 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3h74 s VAL 52 CO 0.09 0.38 0.54 -0.69 0.00 0.00 0.00 175.10 175.42 3h74 s VAL 53 N 0.31 5.12 -0.31 2.92 1.01 0.24 -5.00 120.40 124.70 3h74 s VAL 53 Ca -0.09 1.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 3h74 s VAL 53 Cb -0.13 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3h74 s VAL 53 CO 0.03 0.25 1.18 -0.62 0.00 0.00 0.00 175.10 175.94 3h74 s ASP 54 N 0.87 6.80 -0.10 3.32 -1.08 -1.26 -3.48 116.67 121.74 3h74 s ASP 54 Ca 0.27 1.11 0.17 0.00 -0.52 0.00 0.00 52.55 53.58 3h74 s ASP 54 Cb -0.16 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.41 3h74 s ASP 54 CO 0.11 -0.98 1.56 0.18 0.52 0.00 0.00 175.17 176.56 3h74 n LEU 55 N 7.24 4.43 -0.31 -1.34 4.77 -1.26 -4.59 117.00 125.94 3h74 n LEU 55 Ca 0.13 -2.44 0.11 0.00 -0.03 0.00 0.00 56.01 53.78 3h74 n LEU 55 Cb 0.47 -0.53 0.28 0.00 -2.33 0.00 0.00 43.42 41.31 3h74 n LEU 55 CO 0.61 0.79 1.10 0.28 -1.33 0.00 0.00 177.39 178.85 3h74 h SER 56 N 3.59 0.51 0.42 -1.43 0.02 -1.90 -1.26 113.55 113.49 3h74 h SER 56 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3h74 h SER 56 Cb 1.35 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.94 3h74 h SER 56 CO 0.20 0.14 -0.64 0.35 -1.14 0.00 0.00 176.83 175.74 3h74 n THR 57 N -4.92 0.03 -0.05 -2.27 -2.24 -1.26 -4.31 114.28 99.26 3h74 n THR 57 Ca 0.21 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.75 3h74 n THR 57 Cb 0.56 0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 69.03 3h74 n THR 57 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3h74 h TRP 58 N 0.00 0.18 -0.84 4.78 7.01 -1.56 -3.37 115.95 122.15 3h74 h TRP 58 Ca 0.00 -0.13 0.14 0.00 2.11 0.00 0.00 58.89 61.01 3h74 h TRP 58 Cb 0.53 -0.01 -0.09 0.00 -2.10 0.00 0.00 29.16 27.49 3h74 h TRP 58 CO 0.00 1.42 0.43 -0.07 -2.79 0.00 0.00 178.44 177.43 3h74 h LEU 59 N -0.71 0.54 -1.33 0.65 4.07 -1.57 0.37 115.31 117.33 3h74 h LEU 59 Ca -0.26 0.08 0.05 0.00 0.08 0.00 0.00 57.88 57.84 3h74 h LEU 59 Cb 1.43 -0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.12 3h74 h LEU 59 CO -0.06 0.24 0.49 -0.65 -1.08 0.00 0.00 178.44 177.39 3h74 h PRO 60 N 0.64 0.81 -0.39 1.13 0.11 -1.77 -0.20 132.00 132.33 3h74 h PRO 60 Ca 0.45 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.37 3h74 h PRO 60 Cb 0.59 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3h74 h PRO 60 CO -0.34 0.54 -0.31 1.96 -0.21 0.00 0.00 178.00 179.64 3h74 h GLN 61 N 0.84 0.86 0.13 1.05 4.20 -1.15 -0.90 115.11 120.13 3h74 h GLN 61 Ca 0.32 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 3h74 h GLN 61 Cb 0.19 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3h74 h GLN 61 CO -0.10 1.04 -0.09 0.28 -0.67 0.00 0.00 178.83 179.29 3h74 h VAL 62 N 0.72 0.79 -0.73 -0.54 2.07 -0.46 -0.33 116.25 117.77 3h74 h VAL 62 Ca 0.08 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 3h74 h VAL 62 Cb 0.86 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3h74 h VAL 62 CO 0.08 0.00 0.28 -0.26 0.02 0.00 0.00 177.57 177.68 3h74 h PHE 63 N -0.23 1.11 -0.59 1.57 0.04 -0.99 0.15 116.94 118.01 3h74 h PHE 63 Ca -0.01 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 3h74 h PHE 63 Cb 0.20 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 3h74 h PHE 63 CO -0.10 0.85 0.26 0.00 -0.60 0.00 0.00 178.31 178.73 3h74 h ALA 64 N 1.23 0.76 0.05 2.45 0.00 -1.04 -0.98 119.26 121.72 3h74 h ALA 64 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h74 h ALA 64 Cb 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h74 h ALA 64 CO -0.02 0.34 -0.02 1.25 0.00 0.00 0.00 179.25 180.80 3h74 h HIS 65 N 0.80 -0.06 -0.91 0.00 -0.00 -0.49 -1.24 115.15 113.25 3h74 h HIS 65 Ca 0.20 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.64 3h74 h HIS 65 Cb 0.15 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.52 3h74 h HIS 65 CO 0.00 0.12 0.59 -1.49 -0.00 0.00 0.00 177.93 177.15 3h74 h TRP 66 N -0.23 1.05 0.02 5.26 6.55 -0.88 0.56 115.95 128.29 3h74 h TRP 66 Ca -0.01 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.86 3h74 h TRP 66 Cb 0.20 -0.34 0.00 0.00 -0.86 0.00 0.00 29.16 28.16 3h74 h TRP 66 CO -0.02 0.54 -0.01 1.15 -1.05 0.00 0.00 178.44 179.05 3h74 h THR 67 N 1.02 1.02 -0.37 1.49 2.02 -0.99 -1.68 112.91 115.41 3h74 h THR 67 Ca 0.40 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.40 3h74 h THR 67 Cb 0.23 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3h74 h THR 67 CO -0.15 0.04 0.08 0.03 0.37 0.00 0.00 175.52 175.88 3h74 h ARG 68 N -0.09 0.55 -0.00 6.66 3.08 -0.56 -1.54 114.38 122.49 3h74 h ARG 68 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3h74 h ARG 68 Cb 0.08 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3h74 h ARG 68 CO 0.01 0.52 -0.01 0.00 -1.07 0.00 0.00 179.97 179.42 3h74 n ALA 69 N -2.47 2.59 -3.16 0.04 0.00 0.13 -4.92 120.51 112.71 3h74 n ALA 69 Ca 0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 3h74 n ALA 69 Cb 0.20 -1.49 0.05 0.00 0.00 0.00 0.00 19.45 18.21 3h74 n ALA 69 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h74 n GLN 70 N -1.12 -5.42 -2.67 0.00 6.02 -0.58 -4.98 117.38 108.63 3h74 n GLN 70 Ca 0.18 0.72 -0.39 0.00 -0.01 0.00 0.00 57.00 57.50 3h74 n GLN 70 Cb 0.19 -5.29 -0.05 0.00 1.02 0.00 0.00 30.24 26.11 3h74 n GLN 70 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3h74 s LEU 71 N -5.92 4.51 -0.01 1.08 1.43 -0.71 -5.05 118.68 114.01 3h74 s LEU 71 Ca 0.38 2.01 0.06 0.00 -1.03 0.00 0.00 54.13 55.55 3h74 s LEU 71 Cb -0.17 -3.75 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 3h74 s LEU 71 CO 0.47 -0.02 -0.20 -1.00 0.23 0.00 0.00 176.35 175.83 3h74 s HIS 72 N -1.31 1.75 0.02 0.29 3.76 -1.26 -4.85 115.29 113.69 3h74 s HIS 72 Ca 0.45 -0.33 0.07 0.00 -0.15 0.00 0.00 55.06 55.10 3h74 s HIS 72 Cb -0.26 -1.12 -0.03 0.00 1.11 0.00 0.00 32.58 32.28 3h74 s HIS 72 CO 0.32 -0.03 -0.18 -0.06 -0.85 0.00 0.00 174.74 173.94 3h74 s PHE 73 N -0.47 2.55 -0.09 1.40 0.08 -1.26 -4.96 117.98 115.24 3h74 s PHE 73 Ca 0.07 -0.26 -0.18 0.00 0.12 0.00 0.00 56.93 56.68 3h74 s PHE 73 Cb -0.08 -1.49 -0.29 0.00 -0.57 0.00 0.00 43.02 40.60 3h74 s PHE 73 CO -0.01 0.22 0.67 -0.44 -0.10 0.00 0.00 175.22 175.56 3h74 h ASP 74 N 4.73 0.40 -4.39 1.36 3.32 -1.63 -3.41 116.42 116.80 3h74 h ASP 74 Ca -0.47 -0.88 -0.28 0.00 0.02 0.00 0.00 57.03 55.42 3h74 h ASP 74 Cb 1.15 -0.13 -0.15 0.00 0.22 0.00 0.00 39.33 40.42 3h74 h ASP 74 CO 0.48 1.53 -0.69 -1.10 -1.72 0.00 0.00 179.24 177.74 3h74 s GLN 75 N -2.46 1.00 -0.05 3.56 1.11 -0.83 -0.94 119.66 121.05 3h74 s GLN 75 Ca -0.18 -1.45 -0.06 0.00 0.01 0.00 0.00 55.36 53.69 3h74 s GLN 75 Cb 0.03 -0.34 0.01 0.00 -1.01 0.00 0.00 33.01 31.70 3h74 s GLN 75 CO 0.79 -0.04 0.16 0.00 0.01 0.00 0.00 175.29 176.21 3h74 s ALA 76 N -3.56 -0.39 -0.12 6.09 0.00 -0.41 -0.97 121.76 122.41 3h74 s ALA 76 Ca 0.18 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.52 3h74 s ALA 76 Cb 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3h74 s ALA 76 CO 0.00 -0.10 -0.17 -1.17 0.00 0.00 0.00 175.76 174.32 3h74 s LEU 77 N -0.16 1.85 -0.19 0.00 2.96 0.75 -1.08 118.68 122.81 3h74 s LEU 77 Ca -0.02 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3h74 s LEU 77 Cb -0.02 -1.20 0.00 0.00 0.50 0.00 0.00 46.19 45.47 3h74 s LEU 77 CO 0.00 0.04 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.33 3h74 s ILE 78 N 0.89 2.86 0.00 6.68 -1.09 -0.14 -1.34 121.20 129.06 3h74 s ILE 78 Ca -0.08 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 3h74 s ILE 78 Cb -0.15 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.47 3h74 s ILE 78 CO -0.01 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 3h74 n GLY 79 N 4.55 2.76 3.63 6.18 0.00 -0.01 -0.71 105.19 121.58 3h74 n GLY 79 Ca -0.19 -1.77 -0.51 0.00 0.00 0.00 0.00 46.02 43.54 3h74 n GLY 79 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3h74 n TYR 80 N 0.00 1.79 -0.02 1.61 9.36 -1.26 -4.79 117.16 123.86 3h74 n TYR 80 Ca 0.00 0.51 -0.02 0.00 3.32 0.00 0.00 57.90 61.71 3h74 n TYR 80 Cb 0.00 -2.41 -0.01 0.00 -0.63 0.00 0.00 39.34 36.29 3h74 n TYR 80 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3h74 n VAL 81 N 3.13 0.50 0.00 2.97 0.31 -1.26 -3.52 118.33 120.46 3h74 n VAL 81 Ca 0.19 0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 3h74 n VAL 81 Cb 0.21 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 3h74 n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h74 n GLY 82 N 2.09 1.90 3.22 2.92 0.00 -1.26 -4.66 105.19 109.41 3h74 n GLY 82 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 3h74 n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h74 s SER 83 N -1.80 -0.07 0.13 1.61 1.04 -1.26 -5.03 113.70 108.32 3h74 s SER 83 Ca 0.00 -0.24 -0.19 0.00 0.48 0.00 0.00 55.95 56.00 3h74 s SER 83 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3h74 s SER 83 CO 0.00 -0.59 1.79 0.58 0.98 0.00 0.00 173.24 176.00 3h74 h VAL 84 N 3.33 1.06 -0.56 5.02 2.07 -1.93 -1.84 116.25 123.41 3h74 h VAL 84 Ca -0.32 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.15 3h74 h VAL 84 Cb 1.20 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3h74 h VAL 84 CO 0.46 0.06 0.26 0.00 0.02 0.00 0.00 177.57 178.37 3h74 h ALA 85 N 1.10 0.72 -0.33 1.67 0.00 -1.99 -1.27 119.26 119.15 3h74 h ALA 85 Ca 0.10 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3h74 h ALA 85 Cb -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3h74 h ALA 85 CO -0.02 -0.11 -0.30 -0.07 0.00 0.00 0.00 179.25 178.74 3h74 h LEU 86 N 0.48 0.73 -0.60 0.00 3.38 -1.87 -1.23 115.31 116.20 3h74 h LEU 86 Ca 0.26 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3h74 h LEU 86 Cb 0.22 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3h74 h LEU 86 CO -0.21 0.98 0.30 0.00 0.09 0.00 0.00 178.44 179.59 3h74 h GLN 88 N 0.55 0.67 -0.30 0.00 4.20 -0.97 -0.59 115.11 118.67 3h74 h GLN 88 Ca 0.28 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3h74 h GLN 88 Cb 0.22 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3h74 h GLN 88 CO -0.21 0.68 0.19 1.96 -0.67 0.00 0.00 178.83 180.79 3h74 h GLN 89 N 0.54 0.40 -0.48 1.46 1.08 -0.94 -2.47 115.11 114.70 3h74 h GLN 89 Ca 0.13 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3h74 h GLN 89 Cb 0.31 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3h74 h GLN 89 CO 0.00 0.28 0.26 0.82 -0.95 0.00 0.00 178.83 179.23 3h74 h ILE 90 N 0.39 1.17 -0.37 2.54 2.04 -0.96 -2.17 117.51 120.16 3h74 h ILE 90 Ca 0.11 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.58 3h74 h ILE 90 Cb -0.03 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 3h74 h ILE 90 CO -0.02 0.18 0.03 0.74 0.00 0.00 0.00 178.15 179.08 3h74 h THR 91 N 0.63 0.76 -0.09 -0.27 2.02 -0.85 -0.73 112.91 114.39 3h74 h THR 91 Ca 0.17 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 67.13 3h74 h THR 91 Cb 0.07 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3h74 h THR 91 CO -0.03 0.03 -0.67 0.71 0.37 0.00 0.00 175.52 175.93 3h74 h THR 92 N 0.14 1.37 -0.40 3.16 1.35 -1.38 -2.42 112.91 114.73 3h74 h THR 92 Ca 0.18 -2.05 -0.01 0.00 -0.55 0.00 0.00 66.41 63.98 3h74 h THR 92 Cb 0.23 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.66 3h74 h THR 92 CO -0.27 0.62 0.22 0.22 -0.25 0.00 0.00 175.52 176.05 3h74 h TYR 93 N 0.27 0.54 -0.81 4.73 3.20 -0.95 -2.35 116.97 121.61 3h74 h TYR 93 Ca -0.02 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3h74 h TYR 93 Cb 1.22 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 3h74 h TYR 93 CO 0.04 0.42 0.47 -0.07 -1.64 0.00 0.00 178.16 177.37 3h74 h LEU 94 N 0.51 0.99 -1.82 2.82 3.38 -1.05 -1.90 115.31 118.24 3h74 h LEU 94 Ca 0.14 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3h74 h LEU 94 Cb 0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3h74 h LEU 94 CO -0.02 0.78 -0.12 -0.08 0.09 0.00 0.00 178.44 179.08 3h74 h GLU 95 N 1.13 0.00 0.00 1.13 4.57 -1.09 -1.46 114.58 118.87 3h74 h GLU 95 Ca 0.29 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.44 3h74 h GLU 95 Cb -0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3h74 h GLU 95 CO -0.05 0.12 -0.12 1.96 -1.18 0.00 0.00 179.01 179.74 3h74 h GLN 96 N 0.00 0.00 -7.26 1.92 4.20 -0.82 -3.45 115.11 109.69 3h74 h GLN 96 Ca -0.00 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.25 3h74 h GLN 96 Cb 0.23 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.10 3h74 h GLN 96 CO 0.02 0.12 0.19 -0.65 -0.67 0.00 0.00 178.83 177.84 3h74 s GLN 97 N -3.70 1.89 -0.60 1.46 -1.52 -0.55 -5.04 119.66 111.60 3h74 s GLN 97 Ca 0.01 -0.56 0.06 0.00 -1.95 0.00 0.00 55.36 52.92 3h74 s GLN 97 Cb 0.10 -2.21 0.25 0.00 -0.22 0.00 0.00 33.01 30.94 3h74 s GLN 97 CO 0.59 -1.39 0.73 2.41 -0.25 0.00 0.00 175.29 177.38 3h74 n THR 98 N -2.94 1.97 -2.50 -0.19 -1.04 -1.26 -5.03 114.28 103.29 3h74 n THR 98 Ca 0.11 -5.07 -0.40 0.00 -2.04 0.00 0.00 64.05 56.64 3h74 n THR 98 Cb 0.60 -2.04 -0.04 0.00 -1.82 0.00 0.00 70.33 67.02 3h74 n THR 98 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3h74 s LEU 99 N -2.35 4.54 0.30 -4.42 1.43 -1.26 -4.92 118.68 112.01 3h74 s LEU 99 Ca 0.40 2.20 0.24 0.00 -1.03 0.00 0.00 54.13 55.94 3h74 s LEU 99 Cb 0.16 -3.62 0.52 0.00 0.03 0.00 0.00 46.19 43.28 3h74 s LEU 99 CO -0.03 -0.14 1.62 0.77 0.23 0.00 0.00 176.35 178.80 3h74 h SER 100 N 4.20 0.00 -3.14 2.29 4.64 -1.34 -3.45 113.55 116.73 3h74 h SER 100 Ca -0.46 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 60.73 3h74 h SER 100 Cb 1.21 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.04 3h74 h SER 100 CO 0.69 0.01 -0.29 -0.22 -0.87 0.00 0.00 176.83 176.14 3h74 s LEU 101 N -5.29 -0.18 -0.12 5.97 2.96 -1.23 -5.05 118.68 115.74 3h74 s LEU 101 Ca 0.08 0.92 -0.01 0.00 -0.22 0.00 0.00 54.13 54.91 3h74 s LEU 101 Cb 0.09 1.38 0.03 0.00 0.50 0.00 0.00 46.19 48.19 3h74 s LEU 101 CO 0.65 -0.20 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.19 3h74 s LEU 102 N 1.53 1.20 -0.13 -0.68 2.96 -1.26 -1.29 118.68 121.02 3h74 s LEU 102 Ca -0.09 -0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3h74 s LEU 102 Cb -0.09 -0.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 3h74 s LEU 102 CO -0.13 -0.13 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.94 3h74 s VAL 103 N 1.72 3.03 -0.12 1.68 1.01 -0.24 -0.45 120.40 127.02 3h74 s VAL 103 Ca 0.04 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3h74 s VAL 103 Cb -0.13 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3h74 s VAL 103 CO -0.08 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.66 3h74 s VAL 104 N 0.34 1.87 -0.50 2.92 1.01 -0.63 -0.97 120.40 124.45 3h74 s VAL 104 Ca -0.11 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 3h74 s VAL 104 Cb -0.16 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.61 3h74 s VAL 104 CO 0.06 0.51 0.71 -0.62 0.00 0.00 0.00 175.10 175.76 3h74 s ASP 105 N 0.80 6.28 -1.39 3.32 -1.08 0.11 -1.90 116.67 122.81 3h74 s ASP 105 Ca -0.09 -0.62 -0.14 0.00 -0.52 0.00 0.00 52.55 51.19 3h74 s ASP 105 Cb -0.16 -2.33 0.08 0.00 -1.46 0.00 0.00 42.92 39.05 3h74 s ASP 105 CO -0.00 -0.95 2.05 -0.81 0.52 0.00 0.00 175.17 175.98 3h74 n PRO 106 N 6.52 3.09 -1.99 4.34 -0.04 -1.26 -4.51 135.00 141.15 3h74 n PRO 106 Ca -0.03 -2.95 -0.43 0.00 -0.04 0.00 0.00 63.50 60.05 3h74 n PRO 106 Cb 0.47 -3.23 -0.03 0.00 -0.04 0.00 0.00 33.50 30.67 3h74 n PRO 106 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h74 s VAL 107 N 2.65 3.54 0.00 0.52 1.01 -1.26 -4.74 120.40 122.12 3h74 s VAL 107 Ca 0.46 0.62 0.00 0.00 0.00 0.00 0.00 61.98 63.07 3h74 s VAL 107 Cb 0.11 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3h74 s VAL 107 CO -0.04 -0.16 0.00 0.18 0.00 0.00 0.00 175.10 175.08 3h74 n LEU 108 N 8.18 0.02 0.00 3.92 4.77 -1.26 -4.88 117.00 127.75 3h74 n LEU 108 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3h74 n LEU 108 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3h74 n LEU 108 CO 0.64 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3h74 n GLY 109 N 1.04 -1.19 3.61 -0.72 0.00 -1.26 -1.06 105.19 105.61 3h74 n GLY 109 Ca 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 3h74 n GLY 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h74 s ASP 110 N -0.70 -0.40 -1.31 1.61 2.15 -0.58 -4.53 116.67 112.90 3h74 s ASP 110 Ca 0.00 -0.25 -0.06 0.00 0.43 0.00 0.00 52.55 52.67 3h74 s ASP 110 Cb 0.00 0.61 0.04 0.00 -0.30 0.00 0.00 42.92 43.28 3h74 s ASP 110 CO 0.00 -1.06 0.42 0.18 -0.17 0.00 0.00 175.17 174.54 3h74 n LEU 111 N -0.40 -1.75 0.00 -1.34 4.77 -1.26 -1.58 117.00 115.45 3h74 n LEU 111 Ca -0.11 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3h74 n LEU 111 Cb 0.62 -2.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.37 3h74 n LEU 111 CO 0.13 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3h74 n GLY 112 N -1.18 0.80 3.14 -0.72 0.00 -1.26 -5.03 105.19 100.94 3h74 n GLY 112 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 3h74 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h74 s GLN 113 N -0.06 0.97 0.47 1.61 -1.52 -0.61 -4.91 119.66 115.62 3h74 s GLN 113 Ca 0.00 -0.73 -0.24 0.00 -1.95 0.00 0.00 55.36 52.44 3h74 s GLN 113 Cb 0.00 -0.97 -0.08 0.00 -0.22 0.00 0.00 33.01 31.74 3h74 s GLN 113 CO 0.00 0.24 1.31 1.28 -0.25 0.00 0.00 175.29 177.88 3h74 n LEU 114 N 2.00 4.67 -4.75 2.90 4.77 -1.26 -1.53 117.00 123.80 3h74 n LEU 114 Ca -0.17 1.06 -0.37 0.00 -0.03 0.00 0.00 56.01 56.49 3h74 n LEU 114 Cb 0.55 -1.54 0.03 0.00 -2.33 0.00 0.00 43.42 40.13 3h74 n LEU 114 CO 0.23 -0.59 0.88 -0.31 -1.33 0.00 0.00 177.39 176.27 3h74 s TYR 115 N -1.24 2.39 0.02 -1.77 2.02 -0.22 -4.86 117.35 113.69 3h74 s TYR 115 Ca 0.65 1.49 -0.35 0.00 -0.37 0.00 0.00 57.07 58.48 3h74 s TYR 115 Cb -0.46 -3.56 -0.14 0.00 -0.40 0.00 0.00 41.96 37.40 3h74 s TYR 115 CO 0.55 -2.35 1.65 1.04 -1.57 0.00 0.00 175.55 174.87 3h74 n GLN 116 N -1.39 1.88 0.00 -0.62 6.02 -0.11 -1.70 117.38 121.46 3h74 n GLN 116 Ca 0.13 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 3h74 n GLN 116 Cb 0.48 -2.45 0.00 0.00 1.02 0.00 0.00 30.24 29.30 3h74 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h74 n GLY 117 N 3.66 2.03 3.87 1.08 0.00 -1.26 -4.95 105.19 109.62 3h74 n GLY 117 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3h74 n GLY 117 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h74 s PHE 118 N -2.51 3.63 0.14 1.61 0.08 -0.69 -5.05 117.98 115.19 3h74 s PHE 118 Ca 0.00 0.63 0.02 0.00 0.12 0.00 0.00 56.93 57.70 3h74 s PHE 118 Cb 0.00 -2.02 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 3h74 s PHE 118 CO 0.00 0.71 0.08 -0.40 -0.10 0.00 0.00 175.22 175.52 3h74 n ASP 119 N 1.90 0.36 0.14 1.36 5.68 -1.26 -4.76 116.55 119.97 3h74 n ASP 119 Ca -0.18 -1.82 0.06 0.00 -0.50 0.00 0.00 54.79 52.35 3h74 n ASP 119 Cb 0.54 0.51 0.54 0.00 -1.14 0.00 0.00 41.12 41.57 3h74 n ASP 119 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3h74 h GLN 120 N 0.00 0.25 -0.89 0.11 1.08 -1.99 -1.14 115.11 112.53 3h74 h GLN 120 Ca -0.10 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 3h74 h GLN 120 Cb 0.45 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 3h74 h GLN 120 CO 0.16 0.17 0.50 -0.44 -0.95 0.00 0.00 178.83 178.27 3h74 h ASP 121 N 0.26 1.10 -0.30 1.46 3.32 -1.99 -0.87 116.42 119.40 3h74 h ASP 121 Ca 0.07 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 3h74 h ASP 121 Cb -0.02 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3h74 h ASP 121 CO -0.01 0.88 -0.35 0.22 -1.72 0.00 0.00 179.24 178.25 3h74 h TYR 122 N 1.24 0.99 -0.70 4.55 3.20 -1.63 -1.76 116.97 122.85 3h74 h TYR 122 Ca 0.31 -0.28 0.03 0.00 3.14 0.00 0.00 58.73 61.93 3h74 h TYR 122 Cb 0.01 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 3h74 h TYR 122 CO 0.01 1.06 0.45 0.28 -1.64 0.00 0.00 178.16 178.32 3h74 h VAL 123 N 0.69 1.11 -0.66 1.81 2.07 -1.07 -2.55 116.25 117.65 3h74 h VAL 123 Ca 0.07 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3h74 h VAL 123 Cb 0.92 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3h74 h VAL 123 CO 0.08 0.16 0.26 0.00 0.02 0.00 0.00 177.57 178.10 3h74 h ALA 124 N 1.29 0.86 0.00 1.67 0.00 -0.96 -1.10 119.26 121.03 3h74 h ALA 124 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h74 h ALA 124 Cb -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3h74 h ALA 124 CO -0.10 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3h74 n ALA 125 N -2.39 1.49 0.00 0.00 0.00 -0.68 -2.41 120.51 116.53 3h74 n ALA 125 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3h74 n ALA 125 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3h74 n ALA 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h74 n ARG 127 N 0.87 0.00 -0.08 0.00 1.74 -0.42 -1.74 116.66 117.02 3h74 n ARG 127 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3h74 n ARG 127 Cb 0.04 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.43 3h74 n ARG 127 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 3h74 h GLN 128 N 0.00 0.56 -0.53 5.56 3.07 -1.76 -3.24 115.11 118.77 3h74 h GLN 128 Ca 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 58.65 58.43 3h74 h GLN 128 Cb 0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 3h74 h GLN 128 CO 0.00 0.84 0.16 1.25 0.09 0.00 0.00 178.83 181.17 3h74 h LEU 129 N 0.28 0.74 -0.04 0.06 5.85 -1.64 -2.68 115.31 117.87 3h74 h LEU 129 Ca 0.05 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3h74 h LEU 129 Cb 0.71 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3h74 h LEU 129 CO 0.05 0.71 0.00 2.30 -0.34 0.00 0.00 178.44 181.16 3h74 n ILE 130 N -4.30 0.35 0.25 4.05 -5.35 -1.23 -4.28 119.36 108.85 3h74 n ILE 130 Ca 0.04 0.02 0.09 0.00 -0.27 0.00 0.00 62.75 62.63 3h74 n ILE 130 Cb 0.20 -0.66 0.66 0.00 -1.74 0.00 0.00 39.64 38.11 3h74 n ILE 130 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 3h74 h GLN 131 N 0.00 0.00 -0.32 6.28 3.07 -1.50 -1.55 115.11 121.10 3h74 h GLN 131 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3h74 h GLN 131 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.04 3h74 h GLN 131 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 178.83 179.96 3h74 n GLN 132 N -4.47 2.56 -2.15 0.06 1.13 -1.26 -2.12 117.38 111.13 3h74 n GLN 132 Ca -0.02 -1.96 -0.39 0.00 -1.94 0.00 0.00 57.00 52.68 3h74 n GLN 132 Cb 0.12 -1.28 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 3h74 n GLN 132 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h74 s ALA 133 N -1.00 3.24 0.13 -1.58 0.00 -0.58 -4.84 121.76 117.13 3h74 s ALA 133 Ca 0.23 1.14 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 3h74 s ALA 133 Cb 0.12 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 3h74 s ALA 133 CO 0.16 -0.70 1.31 -0.44 0.00 0.00 0.00 175.76 176.10 3h74 h ASP 134 N 2.73 0.51 -3.59 0.00 5.19 -1.09 -3.43 116.42 116.74 3h74 h ASP 134 Ca -0.49 -0.41 -0.27 0.00 -0.62 0.00 0.00 57.03 55.25 3h74 h ASP 134 Cb 1.24 -0.16 -0.31 0.00 0.18 0.00 0.00 39.33 40.28 3h74 h ASP 134 CO 0.63 1.21 -0.70 -0.69 -3.12 0.00 0.00 179.24 176.56 3h74 s VAL 135 N -3.27 -0.04 0.13 -1.35 1.01 -1.10 -0.49 120.40 115.30 3h74 s VAL 135 Ca -0.06 0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.16 3h74 s VAL 135 Cb 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.35 3h74 s VAL 135 CO 0.86 0.05 -0.21 0.27 0.00 0.00 0.00 175.10 176.07 3h74 s ILE 136 N 0.68 2.61 -0.44 2.22 -4.36 -0.68 -1.60 121.20 119.64 3h74 s ILE 136 Ca -0.06 -1.65 0.08 0.00 -0.26 0.00 0.00 60.65 58.76 3h74 s ILE 136 Cb -0.08 -2.20 0.40 0.00 1.25 0.00 0.00 42.46 41.84 3h74 s ILE 136 CO -0.02 0.06 1.00 0.18 0.24 0.00 0.00 174.94 176.41 3h74 n LEU 137 N 0.74 3.67 -4.76 0.37 4.77 -0.80 -1.53 117.00 119.45 3h74 n LEU 137 Ca -0.16 -5.02 -0.36 0.00 -0.03 0.00 0.00 56.01 50.44 3h74 n LEU 137 Cb 0.53 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 3h74 n LEU 137 CO 0.27 2.14 0.82 -2.16 -1.33 0.00 0.00 177.39 177.13 3h74 s PRO 138 N -3.34 3.23 0.52 3.23 0.04 -1.16 -4.54 135.00 132.99 3h74 s PRO 138 Ca 0.43 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 63.13 3h74 s PRO 138 Cb 0.38 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 33.02 3h74 s PRO 138 CO -0.12 -0.97 0.71 0.27 0.04 0.00 0.00 177.00 176.92 3h74 n ASN 139 N -1.33 0.14 0.05 6.66 0.23 -1.26 -1.52 115.26 118.23 3h74 n ASN 139 Ca 0.12 -1.31 -0.03 0.00 -0.53 0.00 0.00 54.58 52.83 3h74 n ASN 139 Cb 0.50 -0.54 0.20 0.00 -2.08 0.00 0.00 39.78 37.86 3h74 n ASN 139 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3h74 h THR 140 N -1.31 1.29 -0.17 5.53 2.02 -1.94 -0.04 112.91 118.28 3h74 h THR 140 Ca -0.23 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.48 3h74 h THR 140 Cb 0.65 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3h74 h THR 140 CO 0.17 0.45 0.02 0.74 0.37 0.00 0.00 175.52 177.27 3h74 h THR 141 N 0.32 1.23 -0.36 3.16 2.02 -1.89 -3.00 112.91 114.38 3h74 h THR 141 Ca 0.03 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.38 3h74 h THR 141 Cb 0.79 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 3h74 h THR 141 CO 0.06 0.22 -0.16 -0.33 0.37 0.00 0.00 175.52 175.69 3h74 h GLU 142 N 0.07 0.65 -0.33 6.66 5.08 -1.72 -1.42 114.58 123.57 3h74 h GLU 142 Ca 0.05 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3h74 h GLU 142 Cb 0.32 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3h74 h GLU 142 CO 0.00 0.78 0.15 0.00 -1.00 0.00 0.00 179.01 178.95 3h74 h ALA 143 N 1.24 0.40 -0.35 3.43 0.00 -1.00 -0.52 119.26 122.46 3h74 h ALA 143 Ca 0.10 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3h74 h ALA 143 Cb 0.61 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3h74 h ALA 143 CO 0.04 -0.23 0.02 0.00 0.00 0.00 0.00 179.25 179.08 3h74 h ALA 144 N 1.19 0.47 -0.70 0.00 0.00 -1.37 -2.30 119.26 116.54 3h74 h ALA 144 Ca 0.14 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3h74 h ALA 144 Cb 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3h74 h ALA 144 CO -0.11 0.21 0.43 -0.07 0.00 0.00 0.00 179.25 179.70 3h74 h LEU 145 N 0.42 0.68 -0.71 0.00 3.38 -1.04 0.98 115.31 119.02 3h74 h LEU 145 Ca 0.10 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3h74 h LEU 145 Cb 0.42 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3h74 h LEU 145 CO 0.01 0.46 -0.32 -0.07 0.09 0.00 0.00 178.44 178.61 3h74 h LEU 146 N 0.81 0.66 0.00 1.67 3.38 -0.97 -2.96 115.31 117.90 3h74 h LEU 146 Ca 0.29 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3h74 h LEU 146 Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3h74 h LEU 146 CO -0.13 0.93 -0.47 0.71 0.09 0.00 0.00 178.44 179.57 3h74 h THR 147 N 0.54 0.00 0.00 0.22 1.35 -1.22 -3.48 112.91 110.32 3h74 h THR 147 Ca 0.06 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3h74 h THR 147 Cb 0.82 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3h74 h THR 147 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 3h74 n GLY 148 N 1.27 1.07 3.77 5.82 0.00 0.28 -5.06 105.19 112.35 3h74 n GLY 148 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3h74 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h74 s ALA 149 N -2.73 3.35 0.55 4.61 0.00 -0.87 -4.97 121.76 121.70 3h74 s ALA 149 Ca 0.00 1.08 -0.21 0.00 0.00 0.00 0.00 51.96 52.83 3h74 s ALA 149 Cb 0.00 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 3h74 s ALA 149 CO 0.00 -0.50 1.18 -2.30 0.00 0.00 0.00 175.76 174.13 3h74 n PRO 150 N 0.60 1.35 -1.70 0.00 -0.02 -1.26 -4.38 135.00 129.59 3h74 n PRO 150 Ca 0.01 0.50 -0.44 0.00 -2.02 0.00 0.00 63.50 61.56 3h74 n PRO 150 Cb 0.44 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3h74 n PRO 150 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3h74 n TYR 151 N -1.22 2.47 -4.60 6.00 9.36 -1.26 -4.96 117.16 122.94 3h74 n TYR 151 Ca 0.12 0.31 -0.22 0.00 3.32 0.00 0.00 57.90 61.43 3h74 n TYR 151 Cb 0.45 -2.54 -0.15 0.00 -0.63 0.00 0.00 39.34 36.47 3h74 n TYR 151 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3h74 s GLN 152 N -0.12 1.16 0.20 2.98 -0.21 -1.26 -5.04 119.66 117.37 3h74 s GLN 152 Ca 0.69 -0.47 -0.10 0.00 0.02 0.00 0.00 55.36 55.50 3h74 s GLN 152 Cb -0.59 -1.09 0.15 0.00 1.00 0.00 0.00 33.01 32.47 3h74 s GLN 152 CO 0.46 0.25 1.86 0.28 -2.12 0.00 0.00 175.29 176.02 3h74 h VAL 153 N 4.97 1.20 -2.84 1.09 2.07 -1.96 -3.34 116.25 117.44 3h74 h VAL 153 Ca -0.34 -0.42 -0.61 0.00 0.82 0.00 0.00 66.70 66.16 3h74 h VAL 153 Cb 1.17 0.16 -0.40 0.00 -1.52 0.00 0.00 31.29 30.69 3h74 h VAL 153 CO 0.49 0.20 -0.73 -0.89 0.02 0.00 0.00 177.57 176.66 3h74 s THR 154 N -6.04 1.83 0.71 2.57 2.01 -1.26 -5.02 115.64 110.45 3h74 s THR 154 Ca -0.13 -3.48 -0.12 0.00 0.31 0.00 0.00 61.69 58.27 3h74 s THR 154 Cb 0.15 -2.22 0.02 0.00 0.01 0.00 0.00 72.50 70.46 3h74 s THR 154 CO 0.78 -1.06 1.09 -2.16 -0.69 0.00 0.00 174.62 172.58 3h74 s PRO 155 N -0.68 2.63 -0.45 4.92 0.04 -1.26 -4.96 135.00 135.25 3h74 s PRO 155 Ca 0.26 1.18 -0.28 0.00 0.04 0.00 0.00 61.00 62.20 3h74 s PRO 155 Cb -0.05 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3h74 s PRO 155 CO -0.15 -1.36 1.49 0.34 0.04 0.00 0.00 177.00 177.37 3h74 s ASP 156 N -3.24 6.16 0.50 6.66 -1.08 -1.26 -4.88 116.67 119.52 3h74 s ASP 156 Ca 0.62 0.73 0.18 0.00 -0.52 0.00 0.00 52.55 53.55 3h74 s ASP 156 Cb -0.17 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 39.99 3h74 s ASP 156 CO 0.51 -1.60 2.09 -0.07 0.52 0.00 0.00 175.17 176.62 3h74 h LEU 157 N 12.89 0.00 -2.01 -1.34 3.38 -1.98 -0.27 115.31 125.99 3h74 h LEU 157 Ca -0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3h74 h LEU 157 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 3h74 h LEU 157 CO 1.11 0.08 -0.01 -0.33 0.09 0.00 0.00 178.44 179.38 3h74 h GLU 158 N 0.00 0.00 0.00 1.13 4.39 -2.00 -2.39 114.58 115.72 3h74 h GLU 158 Ca -0.00 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.28 3h74 h GLU 158 Cb 0.15 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 3h74 h GLU 158 CO 0.01 0.01 -2.42 0.28 -1.16 0.00 0.00 179.01 175.72 3h74 n VAL 159 N -3.11 1.40 -0.04 3.13 0.31 -0.27 -4.52 118.33 115.24 3h74 n VAL 159 Ca -0.01 -0.38 -0.13 0.00 -0.01 0.00 0.00 64.34 63.81 3h74 n VAL 159 Cb 0.22 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 31.36 3h74 n VAL 159 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 3h74 h ILE 160 N -0.79 1.29 0.03 2.52 2.10 -1.19 -2.85 117.51 118.61 3h74 h ILE 160 Ca -0.64 -1.82 -0.00 0.00 1.08 0.00 0.00 64.86 63.49 3h74 h ILE 160 Cb 1.61 1.75 0.00 0.00 -1.09 0.00 0.00 36.82 39.09 3h74 h ILE 160 CO -0.35 0.58 -0.01 -0.07 -1.08 0.00 0.00 178.15 177.22 3h74 h LEU 161 N 0.56 -0.03 -1.17 2.19 3.38 -1.66 -0.17 115.31 118.42 3h74 h LEU 161 Ca -0.00 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.82 3h74 h LEU 161 Cb 1.19 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 3h74 h LEU 161 CO 0.12 0.18 0.58 -0.65 0.09 0.00 0.00 178.44 178.76 3h74 h PRO 162 N -0.24 1.01 -0.41 1.13 0.11 -1.76 -0.23 132.00 131.61 3h74 h PRO 162 Ca -0.00 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3h74 h PRO 162 Cb 0.23 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3h74 h PRO 162 CO 0.01 0.67 0.13 0.00 -0.21 0.00 0.00 178.00 178.60 3h74 h ALA 163 N 1.51 0.54 -0.23 -0.75 0.00 -1.29 -2.48 119.26 116.56 3h74 h ALA 163 Ca 0.37 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h74 h ALA 163 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3h74 h ALA 163 CO -0.12 0.17 0.14 -0.07 0.00 0.00 0.00 179.25 179.37 3h74 h LEU 164 N 0.52 0.27 -1.03 0.00 3.38 -0.70 -3.22 115.31 114.52 3h74 h LEU 164 Ca 0.13 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3h74 h LEU 164 Cb 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3h74 h LEU 164 CO -0.01 0.24 -0.34 -0.61 0.09 0.00 0.00 178.44 177.82 3h74 h GLN 165 N 0.29 0.00 0.00 1.13 4.15 -0.90 -2.30 115.11 117.48 3h74 h GLN 165 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3h74 h GLN 165 Cb 0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3h74 h GLN 165 CO -0.02 0.34 0.00 0.00 -1.93 0.00 0.00 178.83 177.22 3h74 h ALA 166 N 1.66 1.00 -0.16 3.38 0.00 -1.46 -1.23 119.26 122.46 3h74 h ALA 166 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h74 h ALA 166 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3h74 h ALA 166 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.33 3h74 n GLN 167 N -2.56 1.43 -4.36 0.00 6.02 -0.86 -4.84 117.38 112.20 3h74 n GLN 167 Ca 0.01 -0.66 -0.24 0.00 -0.01 0.00 0.00 57.00 56.11 3h74 n GLN 167 Cb 0.26 -1.23 -0.08 0.00 1.02 0.00 0.00 30.24 30.21 3h74 n GLN 167 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3h74 s LEU 168 N -1.22 2.96 1.00 1.08 1.43 -0.47 -4.50 118.68 118.96 3h74 s LEU 168 Ca 0.20 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 3h74 s LEU 168 Cb 0.10 -1.49 0.17 0.00 0.03 0.00 0.00 46.19 45.00 3h74 s LEU 168 CO 0.15 0.02 0.96 2.29 0.23 0.00 0.00 176.35 180.00 3h74 n LYS 169 N -0.73 -1.00 -1.72 1.70 2.85 -0.90 -4.90 118.16 113.45 3h74 n LYS 169 Ca -0.06 -0.24 -0.42 0.00 -1.05 0.00 0.00 58.31 56.54 3h74 n LYS 169 Cb 0.59 -2.22 -0.02 0.00 -0.65 0.00 0.00 35.03 32.72 3h74 n LYS 169 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3h74 n THR 170 N -4.37 0.61 -0.10 0.58 -1.04 -1.26 -2.50 114.28 106.20 3h74 n THR 170 Ca 0.09 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3h74 n THR 170 Cb 0.53 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 3h74 n THR 170 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h74 n GLY 171 N 2.83 1.50 3.85 3.41 0.00 -1.26 -5.05 105.19 110.48 3h74 n GLY 171 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3h74 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h74 s ALA 172 N -2.66 2.32 -0.09 4.61 0.00 -1.04 -5.06 121.76 119.85 3h74 s ALA 172 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3h74 s ALA 172 Cb 0.00 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.13 3h74 s ALA 172 CO 0.00 -1.84 -0.09 -1.01 0.00 0.00 0.00 175.76 172.81 3h74 s HIS 173 N -3.41 1.42 -0.20 0.00 3.76 0.36 -5.01 115.29 112.21 3h74 s HIS 173 Ca 0.62 -0.62 -0.18 0.00 -0.15 0.00 0.00 55.06 54.73 3h74 s HIS 173 Cb -0.13 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.40 3h74 s HIS 173 CO 0.51 -0.40 0.51 0.00 -0.85 0.00 0.00 174.74 174.52 3h74 s ALA 174 N 1.24 3.55 -0.20 -1.40 0.00 -1.26 -1.68 121.76 122.01 3h74 s ALA 174 Ca -0.04 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.52 3h74 s ALA 174 Cb -0.14 -2.80 0.04 0.00 0.00 0.00 0.00 23.12 20.21 3h74 s ALA 174 CO -0.03 -0.44 -0.12 0.08 0.00 0.00 0.00 175.76 175.24 3h74 s VAL 175 N 1.64 1.76 -0.08 0.00 1.01 -0.58 -4.38 120.40 119.77 3h74 s VAL 175 Ca 0.24 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 3h74 s VAL 175 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3h74 s VAL 175 CO 0.09 0.24 0.67 -0.63 0.00 0.00 0.00 175.10 175.48 3h74 s ILE 176 N 1.36 5.06 -1.93 2.22 1.01 -0.52 -2.98 121.20 125.42 3h74 s ILE 176 Ca -0.00 1.38 0.22 0.00 0.00 0.00 0.00 60.65 62.25 3h74 s ILE 176 Cb -0.16 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 3h74 s ILE 176 CO -0.09 0.25 1.05 0.35 0.00 0.00 0.00 174.94 176.51 3h74 n THR 177 N 3.81 0.00 -1.78 2.92 -2.24 -0.58 -1.10 114.28 115.32 3h74 n THR 177 Ca -0.02 -0.26 0.06 0.00 -2.27 0.00 0.00 64.05 61.56 3h74 n THR 177 Cb 0.51 1.24 0.15 0.00 -2.10 0.00 0.00 70.33 70.13 3h74 n THR 177 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h74 n ASP 178 N -0.09 1.53 -4.69 3.42 5.75 -1.14 -4.29 116.55 117.04 3h74 n ASP 178 Ca 0.09 -3.25 -0.42 0.00 -0.01 0.00 0.00 54.79 51.19 3h74 n ASP 178 Cb 0.45 -0.45 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 3h74 n ASP 178 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3h74 s VAL 179 N -2.25 3.94 -0.17 2.12 1.01 -0.19 -4.73 120.40 120.12 3h74 s VAL 179 Ca 0.34 1.33 -0.08 0.00 0.00 0.00 0.00 61.98 63.57 3h74 s VAL 179 Cb 0.35 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3h74 s VAL 179 CO -0.08 0.02 0.11 -1.10 0.00 0.00 0.00 175.10 174.06 3h74 s GLN 180 N 2.00 3.92 -0.13 2.72 -0.21 -1.26 -0.98 119.66 125.71 3h74 s GLN 180 Ca 0.60 -0.23 -0.02 0.00 0.02 0.00 0.00 55.36 55.72 3h74 s GLN 180 Cb -0.29 -3.30 0.04 0.00 1.00 0.00 0.00 33.01 30.47 3h74 s GLN 180 CO 0.26 0.42 0.02 1.03 -2.12 0.00 0.00 175.29 174.90 3h74 s ARG 181 N -0.01 0.63 3.00 2.91 0.52 -0.69 -5.00 118.95 120.31 3h74 s ARG 181 Ca 0.09 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 3h74 s ARG 181 Cb -0.12 -1.55 0.00 0.00 0.52 0.00 0.00 34.95 33.81 3h74 s ARG 181 CO -0.00 -0.47 0.00 0.00 0.02 0.00 0.00 175.30 174.85 3h74 n ALA 182 N 5.10 0.00 0.95 2.13 0.00 -1.26 -0.75 120.51 126.68 3h74 n ALA 182 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.42 3h74 n ALA 182 Cb 0.49 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.12 3h74 n ALA 182 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h74 n ASP 183 N 4.31 1.81 -4.86 0.00 5.68 -1.26 -4.92 116.55 117.32 3h74 n ASP 183 Ca 0.00 -1.96 -0.28 0.00 -0.50 0.00 0.00 54.79 52.05 3h74 n ASP 183 Cb 0.00 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 39.72 3h74 n ASP 183 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3h74 s GLN 184 N -1.57 3.14 0.02 0.11 -1.52 0.07 -0.76 119.66 119.15 3h74 s GLN 184 Ca 0.24 -0.69 0.04 0.00 -1.95 0.00 0.00 55.36 53.00 3h74 s GLN 184 Cb 0.13 -2.81 -0.02 0.00 -0.22 0.00 0.00 33.01 30.08 3h74 s GLN 184 CO 0.17 0.53 -0.13 -1.50 -0.25 0.00 0.00 175.29 174.10 3h74 s ILE 185 N -1.65 1.06 -0.57 1.08 2.07 -0.20 -1.70 121.20 121.29 3h74 s ILE 185 Ca 0.32 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 58.71 3h74 s ILE 185 Cb -0.11 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.53 3h74 s ILE 185 CO 0.25 0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.98 3h74 n GLY 186 N 2.16 -0.65 3.62 1.50 0.00 -0.16 -1.28 105.19 110.39 3h74 n GLY 186 Ca -0.17 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 3h74 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h74 s ALA 188 N -0.73 1.91 0.25 0.00 0.00 -0.25 -1.45 121.76 121.49 3h74 s ALA 188 Ca 0.11 -1.04 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 3h74 s ALA 188 Cb -0.11 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.58 3h74 s ALA 188 CO 0.02 0.46 0.63 1.67 0.00 0.00 0.00 175.76 178.54 3h74 s TRP 189 N -0.64 -0.11 -0.14 0.00 -2.14 -0.70 -1.43 118.94 113.79 3h74 s TRP 189 Ca 0.09 -0.30 -0.14 0.00 2.66 0.00 0.00 56.10 58.41 3h74 s TRP 189 Cb -0.09 0.55 -0.05 0.00 -3.10 0.00 0.00 33.47 30.78 3h74 s TRP 189 CO 0.00 -1.11 0.32 -0.51 -2.66 0.00 0.00 176.95 172.99 3h74 s LEU 190 N -2.92 4.27 1.03 -4.66 1.43 -1.26 0.22 118.68 116.80 3h74 s LEU 190 Ca 0.12 0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 53.64 3h74 s LEU 190 Cb -0.04 -2.42 0.22 0.00 0.03 0.00 0.00 46.19 43.98 3h74 s LEU 190 CO 0.04 0.12 1.23 1.51 0.23 0.00 0.00 176.35 179.48 3h74 s ASP 191 N 0.29 2.46 0.56 2.29 1.47 -0.42 -4.88 116.67 118.45 3h74 s ASP 191 Ca 0.18 0.46 0.24 0.00 1.18 0.00 0.00 52.55 54.62 3h74 s ASP 191 Cb -0.13 -0.63 1.57 0.00 -0.34 0.00 0.00 42.92 43.38 3h74 s ASP 191 CO 0.05 -3.16 2.17 -0.33 0.68 0.00 0.00 175.17 174.59 3h74 h GLU 192 N -1.93 0.00 -0.01 2.11 5.08 -1.99 -0.33 114.58 117.52 3h74 h GLU 192 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3h74 h GLU 192 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3h74 h GLU 192 CO 0.40 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 178.38 3h74 n ALA 193 N -2.42 2.66 -0.97 3.43 0.00 -1.26 -4.91 120.51 117.03 3h74 n ALA 193 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3h74 n ALA 193 Cb 0.17 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3h74 n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h74 n GLY 194 N 1.15 0.45 3.84 0.00 0.00 -0.13 -5.04 105.19 105.45 3h74 n GLY 194 Ca 0.19 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 3h74 n GLY 194 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h74 s HIS 195 N -2.00 3.73 -0.07 1.61 3.76 -1.26 -4.82 115.29 116.25 3h74 s HIS 195 Ca 0.00 1.02 -0.30 0.00 -0.15 0.00 0.00 55.06 55.63 3h74 s HIS 195 Cb 0.00 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 3h74 s HIS 195 CO 0.00 0.63 1.40 0.08 -0.85 0.00 0.00 174.74 176.00 3h74 s VAL 196 N -1.11 3.89 0.20 -0.90 1.01 -1.26 -1.30 120.40 120.94 3h74 s VAL 196 Ca 0.25 1.18 0.07 0.00 0.00 0.00 0.00 61.98 63.48 3h74 s VAL 196 Cb -0.17 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3h74 s VAL 196 CO 0.14 -0.06 0.04 -1.10 0.00 0.00 0.00 175.10 174.12 3h74 s GLN 197 N 3.10 2.50 -0.04 2.72 -1.52 0.13 -4.96 119.66 121.59 3h74 s GLN 197 Ca 0.63 -1.13 -0.04 0.00 -1.95 0.00 0.00 55.36 52.86 3h74 s GLN 197 Cb -0.28 -2.38 0.01 0.00 -0.22 0.00 0.00 33.01 30.14 3h74 s GLN 197 CO 0.23 0.44 0.12 -0.47 -0.25 0.00 0.00 175.29 175.36 3h74 s TYR 198 N -1.88 -0.12 -0.01 0.91 5.04 -1.26 -1.71 117.35 118.31 3h74 s TYR 198 Ca 0.29 0.29 -0.03 0.00 -2.44 0.00 0.00 57.07 55.18 3h74 s TYR 198 Cb -0.09 0.04 -0.00 0.00 0.35 0.00 0.00 41.96 42.26 3h74 s TYR 198 CO 0.20 -0.08 0.06 0.00 -1.34 0.00 0.00 175.55 174.39 3h74 n GLY 200 N 2.36 2.60 3.08 0.00 0.00 -1.26 -0.82 105.19 111.16 3h74 n GLY 200 Ca -0.17 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 3h74 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h74 s ALA 201 N -2.17 0.38 0.08 4.61 0.00 -0.40 -4.87 121.76 119.39 3h74 s ALA 201 Ca 0.15 -1.04 -0.31 0.00 0.00 0.00 0.00 51.96 50.76 3h74 s ALA 201 Cb -0.01 0.26 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 3h74 s ALA 201 CO 0.10 -0.33 1.73 0.50 0.00 0.00 0.00 175.76 177.76 3h74 s ARG 202 N -3.40 4.17 0.20 0.00 3.52 -1.26 -1.04 118.95 121.15 3h74 s ARG 202 Ca 0.02 2.44 -0.30 0.00 -0.13 0.00 0.00 55.73 57.76 3h74 s ARG 202 Cb 0.04 -3.64 -0.09 0.00 -1.56 0.00 0.00 34.95 29.70 3h74 s ARG 202 CO -0.08 -0.79 1.39 0.50 -0.81 0.00 0.00 175.30 175.51 3h74 s ARG 203 N 2.82 4.32 0.07 5.12 3.52 0.06 -4.85 118.95 130.00 3h74 s ARG 203 Ca 0.77 2.18 0.01 0.00 -0.13 0.00 0.00 55.73 58.56 3h74 s ARG 203 Cb -0.42 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 3h74 s ARG 203 CO 0.34 -0.37 0.19 -0.51 -0.81 0.00 0.00 175.30 174.14 3h74 s LEU 204 N 0.05 4.25 0.50 -0.88 1.43 -1.26 -5.00 118.68 117.77 3h74 s LEU 204 Ca 0.60 0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 53.69 3h74 s LEU 204 Cb -0.39 -2.86 -0.07 0.00 0.03 0.00 0.00 46.19 42.90 3h74 s LEU 204 CO 0.38 0.16 1.16 -2.16 0.23 0.00 0.00 176.35 176.12 3h74 s PRO 205 N -2.56 3.58 0.00 1.29 0.04 -1.26 -4.89 135.00 131.20 3h74 s PRO 205 Ca 0.34 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.10 3h74 s PRO 205 Cb -0.13 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3h74 s PRO 205 CO 0.27 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.03 3h74 n GLY 206 N 0.34 0.72 3.06 0.56 0.00 -1.26 -5.02 105.19 103.59 3h74 n GLY 206 Ca 0.09 -2.09 -0.19 0.00 0.00 0.00 0.00 46.02 43.83 3h74 n GLY 206 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h74 s HIS 207 N -1.31 0.96 -0.04 1.61 -3.43 -1.26 -5.15 115.29 106.67 3h74 s HIS 207 Ca 0.00 -0.21 0.01 0.00 -0.80 0.00 0.00 55.06 54.06 3h74 s HIS 207 Cb 0.00 -0.61 0.02 0.00 -1.43 0.00 0.00 32.58 30.57 3h74 s HIS 207 CO 0.00 -0.01 -0.03 0.71 -2.00 0.00 0.00 174.74 173.41 3h74 s TYR 208 N -0.35 0.59 0.50 0.38 2.02 -1.26 -5.11 117.35 114.12 3h74 s TYR 208 Ca 0.03 -0.13 -0.22 0.00 -0.37 0.00 0.00 57.07 56.39 3h74 s TYR 208 Cb -0.05 -0.57 -0.06 0.00 -0.40 0.00 0.00 41.96 40.88 3h74 s TYR 208 CO -0.00 -0.17 1.18 -0.80 -1.57 0.00 0.00 175.55 174.19 3h74 s ASN 209 N 0.93 5.90 0.00 2.29 0.01 -1.26 -3.62 114.94 119.19 3h74 s ASN 209 Ca -0.11 2.33 0.00 0.00 -0.71 0.00 0.00 52.86 54.37 3h74 s ASN 209 Cb -0.14 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.92 3h74 s ASN 209 CO -0.00 -1.11 0.00 0.61 -1.51 0.00 0.00 177.10 175.09 3h74 n GLY 210 N 0.41 0.94 0.20 0.66 0.00 0.26 -1.04 105.19 106.62 3h74 n GLY 210 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 3h74 n GLY 210 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h74 h THR 211 N 0.00 1.26 -0.42 2.61 1.35 -1.79 -1.19 112.91 114.73 3h74 h THR 211 Ca 0.00 -1.02 -0.03 0.00 -0.55 0.00 0.00 66.41 64.81 3h74 h THR 211 Cb 0.00 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 3h74 h THR 211 CO 0.00 0.34 0.14 1.23 -0.25 0.00 0.00 175.52 176.98 3h74 h GLY 212 N 0.44 0.70 1.00 5.82 0.00 -1.89 0.11 103.07 109.25 3h74 h GLY 212 Ca 0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3h74 h GLY 212 CO 0.02 0.38 0.28 -0.55 0.00 0.00 0.00 176.54 176.68 3h74 h ASP 213 N 0.54 0.86 -0.31 0.19 3.32 -1.91 -1.24 116.42 117.88 3h74 h ASP 213 Ca 0.14 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 3h74 h ASP 213 Cb 0.24 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3h74 h ASP 213 CO -0.01 0.77 -0.32 0.74 -1.72 0.00 0.00 179.24 178.70 3h74 h THR 214 N 0.89 1.29 -0.42 0.35 2.02 -1.08 -1.56 112.91 114.41 3h74 h THR 214 Ca 0.22 -1.50 0.06 0.00 0.77 0.00 0.00 66.41 65.96 3h74 h THR 214 Cb 0.16 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 3h74 h THR 214 CO -0.02 0.48 0.12 0.25 0.37 0.00 0.00 175.52 176.72 3h74 h LEU 215 N 0.53 0.08 -0.61 2.58 5.85 -0.82 -0.80 115.31 122.12 3h74 h LEU 215 Ca 0.05 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3h74 h LEU 215 Cb 0.90 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3h74 h LEU 215 CO 0.08 0.08 0.27 0.00 -0.34 0.00 0.00 178.44 178.53 3h74 h ALA 216 N 1.29 0.79 -0.51 1.25 0.00 -1.10 -0.28 119.26 120.71 3h74 h ALA 216 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3h74 h ALA 216 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3h74 h ALA 216 CO -0.23 0.38 0.28 0.00 0.00 0.00 0.00 179.25 179.68 3h74 h ALA 217 N 1.11 0.66 -0.37 0.00 0.00 -0.96 -0.67 119.26 119.02 3h74 h ALA 217 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3h74 h ALA 217 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3h74 h ALA 217 CO -0.02 0.18 0.12 0.28 0.00 0.00 0.00 179.25 179.80 3h74 h VAL 218 N 0.68 1.21 -0.16 0.00 2.07 -0.86 0.04 116.25 119.23 3h74 h VAL 218 Ca 0.18 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3h74 h VAL 218 Cb 0.05 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3h74 h VAL 218 CO -0.03 0.24 0.09 0.40 0.02 0.00 0.00 177.57 178.29 3h74 h ILE 219 N 0.44 1.08 -0.65 4.57 2.04 -0.91 -0.15 117.51 123.93 3h74 h ILE 219 Ca 0.12 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3h74 h ILE 219 Cb 0.25 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3h74 h ILE 219 CO -0.00 0.08 0.41 0.00 0.00 0.00 0.00 178.15 178.64 3h74 h ALA 220 N 1.00 0.83 -0.63 1.87 0.00 -1.05 -0.47 119.26 120.81 3h74 h ALA 220 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3h74 h ALA 220 Cb 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3h74 h ALA 220 CO -0.01 0.28 0.32 0.78 0.00 0.00 0.00 179.25 180.62 3h74 h GLY 221 N 0.88 0.96 0.95 0.00 0.00 -0.67 -0.38 103.07 104.81 3h74 h GLY 221 Ca 0.24 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 3h74 h GLY 221 CO -0.05 0.44 -0.29 1.41 0.00 0.00 0.00 176.54 178.05 3h74 h LEU 222 N 0.87 0.72 -0.86 3.11 3.38 -0.77 -2.79 115.31 118.97 3h74 h LEU 222 Ca 0.22 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3h74 h LEU 222 Cb 0.08 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3h74 h LEU 222 CO -0.03 1.06 0.42 -0.07 0.09 0.00 0.00 178.44 179.91 3h74 h LEU 223 N 0.40 1.11 -1.68 1.67 3.38 -0.98 -1.99 115.31 117.23 3h74 h LEU 223 Ca 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3h74 h LEU 223 Cb 0.86 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3h74 h LEU 223 CO 0.07 0.93 0.00 1.23 0.09 0.00 0.00 178.44 180.76 3h74 h GLY 224 N 1.22 0.00 -2.25 0.83 0.00 -1.00 -1.40 103.07 100.46 3h74 h GLY 224 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3h74 h GLY 224 CO -0.04 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.04 3h74 n ARG 225 N -2.82 2.46 -0.07 4.80 5.12 -0.78 -4.95 116.66 120.42 3h74 n ARG 225 Ca -0.00 -2.23 0.00 0.00 -1.93 0.00 0.00 57.85 53.68 3h74 n ARG 225 Cb 0.20 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 3h74 n ARG 225 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3h74 n GLY 226 N 1.50 0.69 3.73 -0.13 0.00 -0.53 -5.06 105.19 105.40 3h74 n GLY 226 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3h74 n GLY 226 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h74 s TYR 227 N -2.09 3.38 0.88 1.61 2.02 -1.03 -5.01 117.35 117.10 3h74 s TYR 227 Ca 0.00 1.32 -0.11 0.00 -0.37 0.00 0.00 57.07 57.91 3h74 s TYR 227 Cb 0.00 -3.49 0.13 0.00 -0.40 0.00 0.00 41.96 38.20 3h74 s TYR 227 CO 0.00 -1.47 1.15 -2.14 -1.57 0.00 0.00 175.55 171.52 3h74 s PRO 228 N 0.13 1.26 0.11 -1.71 0.02 -1.26 -4.46 135.00 129.09 3h74 s PRO 228 Ca 0.56 1.54 -0.22 0.00 0.02 0.00 0.00 61.00 62.90 3h74 s PRO 228 Cb -0.33 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 3h74 s PRO 228 CO 0.35 -2.45 1.72 1.25 -0.33 0.00 0.00 177.00 177.54 3h74 h LEU 229 N -1.63 -0.12 0.29 -5.54 5.85 -1.98 -1.81 115.31 110.37 3h74 h LEU 229 Ca -0.44 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3h74 h LEU 229 Cb 1.27 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 3h74 h LEU 229 CO 0.43 -0.05 -0.19 0.00 -0.34 0.00 0.00 178.44 178.30 3h74 h ALA 230 N 1.04 -0.45 -0.01 1.25 0.00 -2.00 0.31 119.26 119.39 3h74 h ALA 230 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3h74 h ALA 230 Cb 0.09 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3h74 h ALA 230 CO -0.09 -0.77 -0.29 -1.00 0.00 0.00 0.00 179.25 177.10 3h74 h PRO 231 N -0.46 0.02 -0.16 0.00 0.13 -1.95 -1.89 132.00 127.69 3h74 h PRO 231 Ca -0.03 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.12 3h74 h PRO 231 Cb 0.39 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 3h74 h PRO 231 CO 0.02 0.32 0.03 1.15 -0.23 0.00 0.00 178.00 179.29 3h74 h THR 232 N 0.02 0.93 -0.55 1.56 2.02 -0.83 -0.98 112.91 115.08 3h74 h THR 232 Ca 0.00 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 3h74 h THR 232 Cb 0.53 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3h74 h THR 232 CO 0.04 0.02 -0.03 -0.07 0.37 0.00 0.00 175.52 175.85 3h74 h LEU 233 N 0.09 0.96 -0.03 2.58 3.38 -0.65 0.79 115.31 122.43 3h74 h LEU 233 Ca 0.07 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3h74 h LEU 233 Cb 0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3h74 h LEU 233 CO -0.10 1.03 0.02 0.00 0.09 0.00 0.00 178.44 179.48 3h74 h ALA 234 N 1.06 0.04 -0.46 1.53 0.00 -1.21 -1.47 119.26 118.75 3h74 h ALA 234 Ca 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3h74 h ALA 234 Cb 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3h74 h ALA 234 CO 0.03 -0.46 0.06 -0.09 0.00 0.00 0.00 179.25 178.79 3h74 h ARG 235 N 0.03 0.78 -0.83 0.00 2.43 -0.98 -2.40 114.38 113.42 3h74 h ARG 235 Ca 0.01 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 3h74 h ARG 235 Cb 0.01 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 3h74 h ARG 235 CO -0.00 0.80 0.47 0.00 -1.51 0.00 0.00 179.97 179.73 3h74 h ALA 236 N 0.95 1.06 -0.66 2.80 0.00 -0.73 0.87 119.26 123.54 3h74 h ALA 236 Ca 0.14 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3h74 h ALA 236 Cb 0.41 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3h74 h ALA 236 CO 0.01 0.55 0.13 -0.91 0.00 0.00 0.00 179.25 179.04 3h74 h ASN 237 N 1.15 1.03 -0.42 0.00 2.35 -1.16 -0.56 115.58 117.96 3h74 h ASN 237 Ca 0.29 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3h74 h ASN 237 Cb 0.01 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 3h74 h ASN 237 CO -0.05 1.01 0.11 -0.61 -1.65 0.00 0.00 177.43 176.24 3h74 h GLN 238 N 1.00 0.67 -0.50 0.81 4.15 -0.93 -1.19 115.11 119.10 3h74 h GLN 238 Ca 0.20 -0.15 -0.11 0.00 0.77 0.00 0.00 58.65 59.36 3h74 h GLN 238 Cb 0.40 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 3h74 h GLN 238 CO 0.01 0.67 -0.12 -1.49 -1.93 0.00 0.00 178.83 175.97 3h74 h TRP 239 N 0.54 1.04 -0.58 3.99 4.06 -0.64 -2.80 115.95 121.57 3h74 h TRP 239 Ca 0.13 -0.21 -0.09 0.00 2.06 0.00 0.00 58.89 60.78 3h74 h TRP 239 Cb 0.29 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 3h74 h TRP 239 CO 0.02 0.99 0.01 1.25 -3.56 0.00 0.00 178.44 177.15 3h74 h LEU 240 N 0.84 0.99 -1.19 -4.49 5.85 -1.02 -0.27 115.31 116.02 3h74 h LEU 240 Ca 0.13 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3h74 h LEU 240 Cb 0.66 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3h74 h LEU 240 CO 0.05 1.05 0.00 -3.20 -0.34 0.00 0.00 178.44 176.00 3h74 n ASN 241 N -4.23 0.00 0.00 1.25 2.85 -0.46 -1.24 115.26 113.42 3h74 n ASN 241 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 3h74 n ASN 241 Cb 0.33 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.35 3h74 n ASN 241 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3h74 n ALA 243 N 0.50 0.00 -0.20 5.20 0.00 -0.11 -1.22 120.51 124.67 3h74 n ALA 243 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3h74 n ALA 243 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3h74 n ALA 243 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h74 h VAL 244 N 0.00 1.23 -0.84 0.00 2.07 -1.44 -1.41 116.25 115.86 3h74 h VAL 244 Ca 0.00 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.84 3h74 h VAL 244 Cb 0.00 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 3h74 h VAL 244 CO 0.00 0.28 0.52 0.00 0.02 0.00 0.00 177.57 178.39 3h74 h ALA 245 N 1.07 1.13 -0.53 1.67 0.00 -1.42 -0.73 119.26 120.46 3h74 h ALA 245 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3h74 h ALA 245 Cb 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3h74 h ALA 245 CO -0.01 0.30 0.01 1.49 0.00 0.00 0.00 179.25 181.03 3h74 h GLU 246 N 0.98 0.89 -0.28 0.00 4.81 -1.76 -0.96 114.58 118.26 3h74 h GLU 246 Ca 0.35 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3h74 h GLU 246 Cb 0.11 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3h74 h GLU 246 CO -0.15 0.89 0.18 1.15 -0.73 0.00 0.00 179.01 180.35 3h74 h THR 247 N 0.83 1.08 -0.63 0.32 2.02 -0.27 -1.70 112.91 114.57 3h74 h THR 247 Ca 0.16 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3h74 h THR 247 Cb 0.49 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3h74 h THR 247 CO 0.02 0.08 0.41 0.40 0.37 0.00 0.00 175.52 176.80 3h74 h ILE 248 N 0.37 1.14 0.00 3.11 2.04 -0.94 -2.67 117.51 120.57 3h74 h ILE 248 Ca 0.10 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3h74 h ILE 248 Cb -0.03 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3h74 h ILE 248 CO -0.02 0.15 -0.07 0.00 0.00 0.00 0.00 178.15 178.21 3h74 h ALA 249 N 1.24 1.25 0.00 1.87 0.00 -0.60 -1.80 119.26 121.22 3h74 h ALA 249 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3h74 h ALA 249 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h74 h ALA 249 CO -0.06 0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.32 3h74 n GLN 250 N -3.54 0.12 -3.88 0.00 6.02 -0.69 -4.92 117.38 110.49 3h74 n GLN 250 Ca -0.02 0.12 -0.30 0.00 -0.01 0.00 0.00 57.00 56.78 3h74 n GLN 250 Cb 0.20 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.96 3h74 n GLN 250 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3h74 n ASN 251 N -1.42 -2.59 -4.77 1.08 3.02 -0.68 -4.84 115.26 105.07 3h74 n ASN 251 Ca 0.07 -1.06 -0.39 0.00 -0.03 0.00 0.00 54.58 53.18 3h74 n ASN 251 Cb 0.22 -2.96 -0.04 0.00 -0.61 0.00 0.00 39.78 36.39 3h74 n ASN 251 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3h74 s ARG 252 N -6.47 4.35 0.14 3.52 0.52 -1.26 -4.95 118.95 114.80 3h74 s ARG 252 Ca 0.24 1.76 0.13 0.00 -0.52 0.00 0.00 55.73 57.34 3h74 s ARG 252 Cb -0.10 -2.89 -0.09 0.00 0.52 0.00 0.00 34.95 32.39 3h74 s ARG 252 CO 0.89 -0.03 1.14 1.79 0.02 0.00 0.00 175.30 179.11 3h74 h THR 253 N 2.67 0.97 -3.61 0.02 1.35 -2.00 -3.43 112.91 108.88 3h74 h THR 253 Ca -0.48 -2.50 -0.70 0.00 -0.55 0.00 0.00 66.41 62.18 3h74 h THR 253 Cb 1.22 2.42 -0.28 0.00 -1.73 0.00 0.00 68.15 69.77 3h74 h THR 253 CO 0.64 0.55 -0.56 -0.62 -0.25 0.00 0.00 175.52 175.28 3h74 s ASP 254 N -6.29 5.44 0.00 5.36 -1.08 -1.26 -4.97 116.67 113.87 3h74 s ASP 254 Ca 0.00 -1.25 0.20 0.00 -0.52 0.00 0.00 52.55 50.99 3h74 s ASP 254 Cb 0.08 -1.91 1.21 0.00 -1.46 0.00 0.00 42.92 40.84 3h74 s ASP 254 CO 0.79 -0.39 1.78 -0.90 0.52 0.00 0.00 175.17 176.97 3h74 n ASP 255 N 4.85 0.01 0.04 -0.34 5.68 -1.26 -3.82 116.55 121.71 3h74 n ASP 255 Ca -0.11 -1.37 -0.11 0.00 -0.50 0.00 0.00 54.79 52.70 3h74 n ASP 255 Cb 0.44 -0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.29 3h74 n ASP 255 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3h74 h ARG 256 N 0.02 0.09 -6.94 0.11 3.08 -1.93 -3.44 114.38 105.37 3h74 h ARG 256 Ca 0.00 -0.16 -0.54 0.00 0.07 0.00 0.00 59.98 59.36 3h74 h ARG 256 Cb 0.00 0.06 0.11 0.00 0.08 0.00 0.00 29.97 30.22 3h74 h ARG 256 CO 0.00 0.91 0.79 -1.14 -1.07 0.00 0.00 179.97 179.46 3h74 s GLN 257 N -2.65 4.10 1.13 0.04 0.74 -1.25 -4.77 119.66 117.00 3h74 s GLN 257 Ca -0.04 2.59 -0.14 0.00 0.05 0.00 0.00 55.36 57.82 3h74 s GLN 257 Cb 0.08 -2.97 0.26 0.00 1.10 0.00 0.00 33.01 31.49 3h74 s GLN 257 CO 0.83 -0.56 1.05 0.20 -0.55 0.00 0.00 175.29 176.27 3h74 s GLY 258 N -0.09 1.54 0.34 2.59 0.00 0.87 -4.58 107.32 107.99 3h74 s GLY 258 Ca 0.54 -0.36 -0.27 0.00 0.00 0.00 0.00 44.72 44.62 3h74 s GLY 258 CO 0.63 0.37 1.12 1.55 0.00 0.00 0.00 173.10 176.76 3h74 n VAL 259 N -4.71 2.10 -1.72 1.40 3.14 -0.21 -4.92 118.33 113.41 3h74 n VAL 259 Ca 0.05 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.53 3h74 n VAL 259 Cb 0.56 -1.26 0.02 0.00 -1.06 0.00 0.00 33.84 32.11 3h74 n VAL 259 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3h74 n ALA 260 N 0.11 1.46 0.27 1.55 0.00 -1.26 -4.96 120.51 117.68 3h74 n ALA 260 Ca 0.08 0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.76 3h74 n ALA 260 Cb 0.35 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 3h74 n ALA 260 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h74 n LEU 261 N -0.18 0.33 0.17 0.00 4.77 -1.26 -4.72 117.00 116.09 3h74 n LEU 261 Ca 0.07 -0.52 -0.14 0.00 -0.03 0.00 0.00 56.01 55.39 3h74 n LEU 261 Cb 0.41 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 3h74 n LEU 261 CO 0.57 0.08 0.78 1.23 -1.33 0.00 0.00 177.39 178.72 3h74 h GLY 262 N 1.36 -0.36 1.43 -0.72 0.00 -1.97 0.12 103.07 102.92 3h74 h GLY 262 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 3h74 h GLY 262 CO 0.00 -0.13 0.10 -0.55 0.00 0.00 0.00 176.54 175.95 3h74 h ASP 263 N -0.36 0.67 -0.23 0.19 3.32 -1.97 -1.58 116.42 116.46 3h74 h ASP 263 Ca -0.04 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3h74 h ASP 263 Cb 0.28 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3h74 h ASP 263 CO 0.06 0.68 0.11 0.25 -1.72 0.00 0.00 179.24 178.62 3h74 h LEU 264 N 0.70 0.29 -0.92 1.55 5.85 -1.76 -1.08 115.31 119.93 3h74 h LEU 264 Ca 0.15 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3h74 h LEU 264 Cb 0.29 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3h74 h LEU 264 CO 0.00 0.33 0.60 -0.07 -0.34 0.00 0.00 178.44 178.96 3h74 h LEU 265 N 0.24 1.06 -0.23 2.25 3.38 -0.43 -0.38 115.31 121.20 3h74 h LEU 265 Ca 0.08 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3h74 h LEU 265 Cb 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3h74 h LEU 265 CO -0.01 0.78 0.04 1.56 0.09 0.00 0.00 178.44 180.89 3h74 h GLN 266 N 1.25 0.12 -0.70 1.13 4.20 -1.07 -1.11 115.11 118.93 3h74 h GLN 266 Ca 0.34 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.00 3h74 h GLN 266 Cb -0.13 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 3h74 h GLN 266 CO -0.07 0.08 0.28 0.00 -0.67 0.00 0.00 178.83 178.45 3h74 h ALA 267 N 1.18 1.18 -0.24 3.87 0.00 -0.57 0.35 119.26 125.03 3h74 h ALA 267 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3h74 h ALA 267 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3h74 h ALA 267 CO -0.15 0.60 0.13 0.82 0.00 0.00 0.00 179.25 180.64 3h74 h ILE 268 N 1.01 1.13 -0.43 0.00 2.04 -0.82 -1.05 117.51 119.38 3h74 h ILE 268 Ca 0.24 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 3h74 h ILE 268 Cb 0.19 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3h74 h ILE 268 CO -0.02 0.12 -0.04 -0.07 0.00 0.00 0.00 178.15 178.14 3h74 h LEU 269 N 0.28 0.69 -0.90 1.44 4.07 -0.70 -0.96 115.31 119.22 3h74 h LEU 269 Ca 0.09 -0.17 -0.05 0.00 0.08 0.00 0.00 57.88 57.82 3h74 h LEU 269 Cb 0.08 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 3h74 h LEU 269 CO -0.01 0.79 0.21 0.00 -1.08 0.00 0.00 178.44 178.34 3h74 h ALA 270 N 1.29 1.11 -0.45 1.53 0.00 -0.69 0.11 119.26 122.17 3h74 h ALA 270 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3h74 h ALA 270 Cb 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3h74 h ALA 270 CO 0.02 0.61 -0.05 1.25 0.00 0.00 0.00 179.25 181.08 3h74 h LEU 271 N 0.98 0.82 -0.37 0.00 5.85 -0.79 -2.79 115.31 119.01 3h74 h LEU 271 Ca 0.22 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3h74 h LEU 271 Cb 0.27 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3h74 h LEU 271 CO -0.01 0.96 0.19 0.78 -0.34 0.00 0.00 178.44 180.02 3h74 h ASN 272 N 0.66 0.28 0.00 1.25 2.35 -0.82 -3.51 115.58 115.79 3h74 h ASN 272 Ca 0.12 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3h74 h ASN 272 Cb 0.57 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.91 3h74 h ASN 272 CO 0.03 0.20 0.00 -1.84 -1.65 0.00 0.00 177.43 174.18 3h74 n GLU 273 N -4.93 0.00 -1.56 0.81 0.28 0.37 -5.10 120.64 110.51 3h74 n GLU 273 Ca 0.01 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.57 3h74 n GLU 273 Cb 0.09 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.95 3h74 n GLU 273 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3h74 n HIS 277 N -0.11 0.90 -4.19 -1.84 -0.00 -1.26 -4.58 115.22 104.14 3h74 n HIS 277 Ca 0.00 0.71 -0.11 0.00 -0.00 0.00 0.00 57.72 58.31 3h74 n HIS 277 Cb 0.00 -2.19 -0.10 0.00 -0.00 0.00 0.00 29.99 27.70 3h74 n HIS 277 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3h74 s HIS 278 N -1.12 0.98 0.34 4.41 4.02 -1.26 -0.94 115.29 121.72 3h74 s HIS 278 Ca 0.60 -1.00 -0.29 0.00 1.02 0.00 0.00 55.06 55.39 3h74 s HIS 278 Cb -0.70 -0.57 -0.12 0.00 -1.02 0.00 0.00 32.58 30.18 3h74 s HIS 278 CO 0.59 -0.23 1.47 1.58 1.02 0.00 0.00 174.74 179.16 3h74 n HIS 279 N -0.11 2.76 -1.24 1.40 -0.00 -1.26 -5.00 115.22 111.77 3h74 n HIS 279 Ca -0.09 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.05 3h74 n HIS 279 Cb 0.62 -2.52 0.00 0.00 -0.00 0.00 0.00 29.99 28.09 3h74 n HIS 279 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95