#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h57 s VAL 1 N 0.00 -0.39 0.53 3.17 1.01 -1.26 -5.07 120.40 118.39 3h57 s VAL 1 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 3h57 s VAL 1 Cb 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 36.38 35.79 3h57 s VAL 1 CO 0.00 0.09 1.04 -0.76 0.00 0.00 0.00 175.10 175.47 3h57 s LEU 2 N 2.20 3.70 0.60 3.92 1.02 -1.26 -5.05 118.68 123.81 3h57 s LEU 2 Ca -0.02 1.87 -0.06 0.00 0.02 0.00 0.00 54.13 55.93 3h57 s LEU 2 Cb -0.11 -4.55 0.01 0.00 0.02 0.00 0.00 46.19 41.56 3h57 s LEU 2 CO -0.10 -0.93 0.92 -0.94 0.02 0.00 0.00 176.35 175.32 3h57 s SER 3 N -2.34 5.57 0.27 2.29 1.04 -1.26 -4.91 113.70 114.36 3h57 s SER 3 Ca 0.66 0.75 -0.03 0.00 0.48 0.00 0.00 55.95 57.80 3h57 s SER 3 Cb -0.16 -1.72 0.34 0.00 0.10 0.00 0.00 66.02 64.58 3h57 s SER 3 CO 0.27 -1.09 1.85 -0.08 0.98 0.00 0.00 173.24 175.16 3h57 h GLU 4 N -0.22 1.00 -0.96 4.02 4.57 -1.99 -1.38 114.58 119.62 3h57 h GLU 4 Ca -0.45 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 57.57 3h57 h GLU 4 Cb 1.26 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.63 3h57 h GLU 4 CO 0.61 0.80 0.62 0.78 -1.18 0.00 0.00 179.01 180.65 3h57 h GLY 5 N 1.06 1.35 1.08 1.92 0.00 -1.99 -0.09 103.07 106.40 3h57 h GLY 5 Ca 0.23 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 3h57 h GLY 5 CO -0.02 0.51 -0.22 0.83 0.00 0.00 0.00 176.54 177.64 3h57 h GLU 6 N 1.30 0.95 -0.71 4.80 5.08 -1.78 -2.45 114.58 121.77 3h57 h GLU 6 Ca 0.35 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3h57 h GLU 6 Cb -0.13 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3h57 h GLU 6 CO -0.07 1.08 0.36 -1.49 -1.00 0.00 0.00 179.01 177.89 3h57 h TRP 7 N 0.79 0.97 -0.14 4.33 4.06 -0.67 -1.73 115.95 123.56 3h57 h TRP 7 Ca 0.10 -0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.95 3h57 h TRP 7 Cb 0.79 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 3h57 h TRP 7 CO 0.06 0.69 -0.26 1.96 -3.56 0.00 0.00 178.44 177.33 3h57 h GLN 8 N 0.99 0.25 -0.29 0.49 4.20 -0.78 0.95 115.11 120.93 3h57 h GLN 8 Ca 0.25 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.74 3h57 h GLN 8 Cb 0.06 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3h57 h GLN 8 CO -0.04 0.50 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.20 3h57 h LEU 9 N 0.23 0.68 -0.02 1.46 3.38 -0.90 0.34 115.31 120.49 3h57 h LEU 9 Ca 0.04 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3h57 h LEU 9 Cb 0.58 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3h57 h LEU 9 CO 0.04 0.97 -0.00 0.58 0.09 0.00 0.00 178.44 180.12 3h57 h VAL 10 N 0.54 1.26 0.00 1.22 2.07 -0.63 -2.96 116.25 117.75 3h57 h VAL 10 Ca 0.06 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 3h57 h VAL 10 Cb 0.86 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3h57 h VAL 10 CO 0.07 0.21 -0.26 -0.07 0.02 0.00 0.00 177.57 177.54 3h57 h LEU 11 N -0.28 0.00 -0.50 2.57 3.38 -0.79 -2.00 115.31 117.69 3h57 h LEU 11 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3h57 h LEU 11 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3h57 h LEU 11 CO 0.00 0.26 -0.06 -0.74 0.09 0.00 0.00 178.44 177.99 3h57 h HIS 12 N 0.00 1.02 0.02 1.13 2.76 -0.84 -1.73 115.15 117.50 3h57 h HIS 12 Ca -0.00 -0.20 -0.22 0.00 -2.20 0.00 0.00 60.37 57.75 3h57 h HIS 12 Cb 0.65 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 3h57 h HIS 12 CO 0.00 0.97 -1.06 -0.24 -1.30 0.00 0.00 177.93 176.30 3h57 h VAL 13 N 0.78 1.66 0.00 5.26 3.04 -1.38 -3.19 116.25 122.42 3h57 h VAL 13 Ca 0.13 -3.36 -0.04 0.00 -1.01 0.00 0.00 66.70 62.42 3h57 h VAL 13 Cb 0.60 2.85 -0.01 0.00 -2.01 0.00 0.00 31.29 32.72 3h57 h VAL 13 CO 0.04 0.95 -0.21 -0.25 -1.01 0.00 0.00 177.57 177.09 3h57 h TRP 14 N 0.01 0.00 -0.28 3.17 2.91 -1.21 -1.45 115.95 119.10 3h57 h TRP 14 Ca -0.04 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.98 3h57 h TRP 14 Cb 1.80 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.44 3h57 h TRP 14 CO 0.01 0.21 0.15 0.00 -1.03 0.00 0.00 178.44 177.78 3h57 h ALA 15 N 1.79 1.73 0.03 2.65 0.00 -1.30 -0.76 119.26 123.41 3h57 h ALA 15 Ca -0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 3h57 h ALA 15 Cb 0.41 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.10 3h57 h ALA 15 CO 0.03 0.23 -1.08 0.87 0.00 0.00 0.00 179.25 179.30 3h57 h LYS 16 N 0.39 0.60 -0.99 0.00 1.79 -1.39 -3.11 116.57 113.86 3h57 h LYS 16 Ca 0.10 -0.69 0.08 0.00 -2.18 0.00 0.00 60.65 57.96 3h57 h LYS 16 Cb 0.02 0.21 -0.07 0.00 -1.58 0.00 0.00 32.23 30.81 3h57 h LYS 16 CO -0.02 1.28 0.63 0.28 -1.08 0.00 0.00 179.45 180.55 3h57 h VAL 17 N 0.32 1.05 0.00 0.50 2.07 -0.87 -1.40 116.25 117.91 3h57 h VAL 17 Ca -0.13 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3h57 h VAL 17 Cb 1.73 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3h57 h VAL 17 CO 0.20 0.20 0.00 -0.62 0.02 0.00 0.00 177.57 177.38 3h57 n GLU 18 N -4.52 0.15 0.23 1.57 1.02 -0.39 -2.06 120.64 116.65 3h57 n GLU 18 Ca 0.16 0.18 0.10 0.00 -0.02 0.00 0.00 57.16 57.57 3h57 n GLU 18 Cb 0.22 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.67 3h57 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h57 h ALA 19 N 2.62 1.12 -0.29 0.62 0.00 -1.30 -3.37 119.26 118.66 3h57 h ALA 19 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 3h57 h ALA 19 Cb 0.16 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.76 3h57 h ALA 19 CO 0.00 0.28 -0.41 -3.47 0.00 0.00 0.00 179.25 175.65 3h57 n ASP 20 N -3.54 -2.79 -0.21 0.00 2.03 -0.87 -5.02 116.55 106.15 3h57 n ASP 20 Ca -0.01 -2.87 0.04 0.00 0.52 0.00 0.00 54.79 52.47 3h57 n ASP 20 Cb 0.38 1.62 0.30 0.00 -0.72 0.00 0.00 41.12 42.69 3h57 n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3h57 h VAL 21 N 3.34 1.09 -0.51 5.18 2.07 -1.63 -2.24 116.25 123.56 3h57 h VAL 21 Ca -0.09 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.15 3h57 h VAL 21 Cb 1.08 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3h57 h VAL 21 CO 0.15 0.16 0.31 0.00 0.02 0.00 0.00 177.57 178.21 3h57 h ALA 22 N 1.57 0.65 -0.61 1.67 0.00 -1.90 0.76 119.26 121.40 3h57 h ALA 22 Ca 0.31 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3h57 h ALA 22 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3h57 h ALA 22 CO -0.09 0.02 0.21 0.78 0.00 0.00 0.00 179.25 180.17 3h57 h GLY 23 N 0.62 1.00 1.37 0.00 0.00 -1.80 -2.02 103.07 102.25 3h57 h GLY 23 Ca 0.20 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 3h57 h GLY 23 CO -0.08 0.54 -0.23 0.45 0.00 0.00 0.00 176.54 177.22 3h57 h HIS 24 N 0.86 0.83 -0.58 5.60 3.86 -1.16 -2.49 115.15 122.06 3h57 h HIS 24 Ca 0.20 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3h57 h HIS 24 Cb 0.26 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 3h57 h HIS 24 CO 0.02 0.89 0.35 0.78 0.86 0.00 0.00 177.93 180.82 3h57 h GLY 25 N 0.97 0.85 0.90 2.45 0.00 -0.53 -0.82 103.07 106.88 3h57 h GLY 25 Ca 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3h57 h GLY 25 CO 0.06 0.34 0.01 1.46 0.00 0.00 0.00 176.54 178.41 3h57 h GLN 26 N 0.78 0.02 -0.57 4.80 4.20 -1.27 -1.22 115.11 121.86 3h57 h GLN 26 Ca 0.21 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.99 3h57 h GLN 26 Cb -0.01 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.71 3h57 h GLN 26 CO -0.04 0.12 0.25 -0.44 -0.67 0.00 0.00 178.83 178.05 3h57 h ASP 27 N -0.08 0.31 -0.23 1.46 5.19 -1.22 -0.30 116.42 121.54 3h57 h ASP 27 Ca 0.01 0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.43 3h57 h ASP 27 Cb 0.11 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 3h57 h ASP 27 CO -0.00 0.20 -0.03 0.40 -3.12 0.00 0.00 179.24 176.69 3h57 h ILE 28 N 0.46 1.27 -0.48 0.35 2.04 -1.02 -0.86 117.51 119.27 3h57 h ILE 28 Ca 0.27 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 3h57 h ILE 28 Cb 0.27 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3h57 h ILE 28 CO -0.24 0.31 -0.03 -0.07 0.00 0.00 0.00 178.15 178.12 3h57 h LEU 29 N 0.18 0.86 -0.77 1.44 3.38 -1.05 -0.89 115.31 118.47 3h57 h LEU 29 Ca 0.06 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3h57 h LEU 29 Cb 0.47 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3h57 h LEU 29 CO 0.02 0.98 0.31 0.40 0.09 0.00 0.00 178.44 180.24 3h57 h ILE 30 N 0.73 1.26 -0.65 1.22 2.04 -1.03 -0.50 117.51 120.57 3h57 h ILE 30 Ca 0.13 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 3h57 h ILE 30 Cb 0.55 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3h57 h ILE 30 CO 0.03 0.33 0.13 -0.09 0.00 0.00 0.00 178.15 178.55 3h57 h ARG 31 N 1.11 1.04 0.13 2.37 9.65 -0.97 -1.41 114.38 126.31 3h57 h ARG 31 Ca 0.26 -0.25 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3h57 h ARG 31 Cb 0.21 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 3h57 h ARG 31 CO -0.02 0.94 -0.06 1.25 2.80 0.00 0.00 179.97 184.87 3h57 h LEU 32 N 0.98 -0.15 -1.48 3.80 5.85 -0.57 -1.12 115.31 122.63 3h57 h LEU 32 Ca 0.20 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3h57 h LEU 32 Cb 0.39 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3h57 h LEU 32 CO 0.01 -0.03 -0.18 -0.26 -0.34 0.00 0.00 178.44 177.64 3h57 h PHE 33 N -0.26 0.12 0.07 1.25 0.04 -0.93 0.03 116.94 117.27 3h57 h PHE 33 Ca -0.02 -0.01 -0.27 0.00 2.80 0.00 0.00 57.97 60.47 3h57 h PHE 33 Cb 0.20 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 3h57 h PHE 33 CO -0.04 0.29 -1.32 0.87 -0.60 0.00 0.00 178.31 177.51 3h57 h LYS 34 N 0.11 0.15 0.03 1.51 1.57 -1.15 -2.47 116.57 116.32 3h57 h LYS 34 Ca 0.02 -0.26 -0.21 0.00 -1.87 0.00 0.00 60.65 58.33 3h57 h LYS 34 Cb 0.38 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3h57 h LYS 34 CO 0.03 1.04 -1.00 0.77 -0.57 0.00 0.00 179.45 179.71 3h57 h SER 35 N 0.04 0.12 -1.99 0.86 0.02 -1.02 -3.39 113.55 108.19 3h57 h SER 35 Ca -0.15 -0.12 -0.53 0.00 -0.84 0.00 0.00 61.79 60.15 3h57 h SER 35 Cb 1.93 -0.04 -0.36 0.00 0.14 0.00 0.00 62.40 64.08 3h57 h SER 35 CO 0.15 1.04 -0.98 1.41 -1.14 0.00 0.00 176.83 177.32 3h57 n HIS 36 N -3.47 -1.03 -0.37 3.45 8.25 -0.02 -5.01 115.22 117.02 3h57 n HIS 36 Ca -0.02 -3.20 0.33 0.00 -0.26 0.00 0.00 57.72 54.57 3h57 n HIS 36 Cb 0.91 0.16 0.67 0.00 1.12 0.00 0.00 29.99 32.85 3h57 n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3h57 h PRO 37 N 4.82 0.13 -0.27 -0.41 0.11 -1.63 -0.60 132.00 134.15 3h57 h PRO 37 Ca 0.15 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.31 3h57 h PRO 37 Cb 0.92 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3h57 h PRO 37 CO 0.38 0.09 0.19 1.05 -0.21 0.00 0.00 178.00 179.50 3h57 h GLU 38 N 0.13 0.10 -0.04 1.05 9.09 -1.93 -1.82 114.58 121.17 3h57 h GLU 38 Ca 0.65 -0.01 -0.04 0.00 0.05 0.00 0.00 59.36 60.01 3h57 h GLU 38 Cb 2.21 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 29.28 3h57 h GLU 38 CO -0.16 0.07 -0.17 1.79 0.05 0.00 0.00 179.01 180.59 3h57 h THR 39 N 0.11 1.14 0.00 -1.06 1.35 -1.44 -2.28 112.91 110.72 3h57 h THR 39 Ca 0.12 -0.66 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 3h57 h THR 39 Cb 0.36 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3h57 h THR 39 CO -0.01 0.19 -0.11 0.25 -0.25 0.00 0.00 175.52 175.59 3h57 h LEU 40 N 0.06 0.00 -2.64 3.87 5.85 -1.50 -2.28 115.31 118.68 3h57 h LEU 40 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3h57 h LEU 40 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3h57 h LEU 40 CO 0.02 0.11 0.00 -0.33 -0.34 0.00 0.00 178.44 177.91 3h57 h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.53 -1.57 114.58 117.81 3h57 h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h57 h GLU 41 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3h57 h GLU 41 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3h57 n LYS 42 N -3.02 0.14 -3.37 2.33 4.76 -0.86 -4.47 118.16 113.68 3h57 n LYS 42 Ca -0.02 0.15 -0.46 0.00 -2.87 0.00 0.00 58.31 55.11 3h57 n LYS 42 Cb 0.10 -1.67 -0.03 0.00 -1.84 0.00 0.00 35.03 31.60 3h57 n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3h57 s PHE 43 N -3.07 3.69 0.54 2.13 0.40 -0.59 -4.90 117.98 116.18 3h57 s PHE 43 Ca 0.11 -2.01 0.24 0.00 -0.60 0.00 0.00 56.93 54.67 3h57 s PHE 43 Cb 0.14 -3.76 1.42 0.00 0.51 0.00 0.00 43.02 41.33 3h57 s PHE 43 CO 0.53 -0.98 2.05 -0.44 0.70 0.00 0.00 175.22 177.08 3h57 h ASP 44 N 7.80 0.00 1.40 1.36 3.32 -1.84 0.43 116.42 128.88 3h57 h ASP 44 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3h57 h ASP 44 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3h57 h ASP 44 CO 0.77 0.00 -0.23 -0.09 -1.72 0.00 0.00 179.24 177.97 3h57 h ARG 45 N 0.00 0.00 0.00 3.56 2.43 -1.95 -3.37 114.38 115.05 3h57 h ARG 45 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3h57 h ARG 45 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3h57 h ARG 45 CO -0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 3h57 n PHE 46 N -2.43 0.00 0.33 2.20 3.72 -0.33 -4.80 117.46 116.15 3h57 n PHE 46 Ca 0.04 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.61 3h57 n PHE 46 Cb 0.46 0.00 0.86 0.00 -0.94 0.00 0.00 39.48 39.86 3h57 n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3h57 h LYS 47 N 0.00 0.00 0.00 -1.08 1.63 -0.39 -1.70 116.57 115.03 3h57 h LYS 47 Ca 0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 3h57 h LYS 47 Cb 0.11 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 3h57 h LYS 47 CO 0.00 0.00 -0.17 1.12 -3.45 0.00 0.00 179.45 176.95 3h57 h HIS 48 N 0.00 0.00 -2.20 1.91 2.07 -1.87 -3.46 115.15 111.61 3h57 h HIS 48 Ca 0.01 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.94 3h57 h HIS 48 Cb 0.61 0.00 0.04 0.00 2.57 0.00 0.00 27.41 30.63 3h57 h HIS 48 CO 0.00 0.17 0.98 1.28 -3.07 0.00 0.00 177.93 177.29 3h57 n LEU 49 N -3.16 3.39 -0.07 6.12 4.77 -0.64 -4.89 117.00 122.52 3h57 n LEU 49 Ca 0.03 1.02 -0.07 0.00 -0.03 0.00 0.00 56.01 56.95 3h57 n LEU 49 Cb 0.56 -1.42 -0.15 0.00 -2.33 0.00 0.00 43.42 40.08 3h57 n LEU 49 CO 0.35 -0.12 -0.96 0.29 -1.33 0.00 0.00 177.39 175.62 3h57 n LYS 50 N 5.18 0.67 -4.33 3.23 5.02 -1.26 -5.01 118.16 121.66 3h57 n LYS 50 Ca 0.20 0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.36 3h57 n LYS 50 Cb 0.30 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 3h57 n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3h57 s THR 51 N -2.62 0.80 0.32 -0.18 -4.23 -1.26 -5.03 115.64 103.43 3h57 s THR 51 Ca -0.08 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.46 3h57 s THR 51 Cb 0.07 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.51 3h57 s THR 51 CO 0.83 -0.16 1.80 -0.08 -0.54 0.00 0.00 174.62 176.48 3h57 h GLU 52 N 2.41 0.44 -0.43 3.99 4.81 -1.98 -1.27 114.58 122.56 3h57 h GLU 52 Ca -0.38 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3h57 h GLU 52 Cb 1.23 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 3h57 h GLU 52 CO 0.63 0.59 0.26 0.00 -0.73 0.00 0.00 179.01 179.76 3h57 h ALA 53 N 1.43 0.54 -0.27 2.92 0.00 -1.99 0.16 119.26 122.05 3h57 h ALA 53 Ca 0.07 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3h57 h ALA 53 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3h57 h ALA 53 CO 0.03 0.04 -0.24 0.93 0.00 0.00 0.00 179.25 180.01 3h57 h GLU 54 N 0.56 0.52 -0.31 0.00 5.08 -1.86 -1.92 114.58 116.65 3h57 h GLU 54 Ca 0.15 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3h57 h GLU 54 Cb -0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3h57 h GLU 54 CO -0.03 0.72 0.05 0.52 -1.00 0.00 0.00 179.01 179.28 3h57 h MET 55 N 0.46 0.50 -0.03 2.33 2.86 -0.64 -2.15 114.93 118.27 3h57 h MET 55 Ca 0.07 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3h57 h MET 55 Cb 0.66 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3h57 h MET 55 CO 0.05 0.60 -0.20 0.87 1.06 0.00 0.00 176.91 179.29 3h57 h LYS 56 N 0.33 0.04 -0.00 1.72 1.57 -0.50 -2.59 116.57 117.15 3h57 h LYS 56 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3h57 h LYS 56 Cb 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3h57 h LYS 56 CO 0.01 0.24 -0.23 0.00 -0.57 0.00 0.00 179.45 178.90 3h57 n ALA 57 N -2.50 2.92 -2.46 3.86 0.00 -0.74 -4.82 120.51 116.77 3h57 n ALA 57 Ca -0.02 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 3h57 n ALA 57 Cb 0.27 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 3h57 n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h57 s SER 58 N -2.92 6.40 0.23 0.00 0.15 -0.83 -4.89 113.70 111.84 3h57 s SER 58 Ca 0.15 0.54 -0.07 0.00 0.70 0.00 0.00 55.95 57.27 3h57 s SER 58 Cb 0.19 -2.55 0.20 0.00 -1.71 0.00 0.00 66.02 62.15 3h57 s SER 58 CO 0.59 -1.43 1.82 -0.08 1.20 0.00 0.00 173.24 175.34 3h57 h GLU 59 N 10.19 1.22 -0.48 5.44 4.57 -1.88 -1.98 114.58 131.67 3h57 h GLU 59 Ca -0.26 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 57.66 3h57 h GLU 59 Cb 1.08 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 3h57 h GLU 59 CO 1.13 0.94 -0.06 -0.44 -1.18 0.00 0.00 179.01 179.40 3h57 h ASP 60 N 1.21 0.81 -0.34 1.04 5.19 -1.97 -1.67 116.42 120.69 3h57 h ASP 60 Ca 0.29 -0.22 -0.10 0.00 -0.62 0.00 0.00 57.03 56.37 3h57 h ASP 60 Cb 0.12 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 3h57 h ASP 60 CO -0.04 0.91 -0.15 0.25 -3.12 0.00 0.00 179.24 177.09 3h57 h LEU 61 N 0.76 0.79 -0.65 1.55 6.46 -1.81 -1.43 115.31 120.98 3h57 h LEU 61 Ca 0.14 -0.26 -0.04 0.00 -0.12 0.00 0.00 57.88 57.60 3h57 h LEU 61 Cb 0.54 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 3h57 h LEU 61 CO 0.03 0.95 0.24 0.50 -0.62 0.00 0.00 178.44 179.54 3h57 h LYS 62 N 0.71 0.99 -0.67 1.25 3.64 -1.06 -0.83 116.57 120.60 3h57 h LYS 62 Ca 0.11 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3h57 h LYS 62 Cb 0.65 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3h57 h LYS 62 CO 0.05 0.85 0.32 0.87 -2.27 0.00 0.00 179.45 179.26 3h57 h LYS 63 N 0.93 0.97 -0.59 1.90 1.79 -0.96 -1.92 116.57 118.69 3h57 h LYS 63 Ca 0.22 -0.15 -0.08 0.00 -2.18 0.00 0.00 60.65 58.46 3h57 h LYS 63 Cb 0.24 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 3h57 h LYS 63 CO -0.01 0.78 0.06 1.25 -1.08 0.00 0.00 179.45 180.44 3h57 h LEU 64 N 0.93 0.95 -0.77 2.94 5.85 -0.96 -1.46 115.31 122.79 3h57 h LEU 64 Ca 0.23 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3h57 h LEU 64 Cb 0.13 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3h57 h LEU 64 CO -0.03 0.97 0.51 1.23 -0.34 0.00 0.00 178.44 180.78 3h57 h GLY 65 N 1.02 1.10 0.90 3.75 0.00 -0.72 0.16 103.07 109.28 3h57 h GLY 65 Ca 0.18 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3h57 h GLY 65 CO 0.02 0.37 0.08 -2.08 0.00 0.00 0.00 176.54 174.93 3h57 h VAL 66 N 1.02 1.22 -0.63 4.60 2.07 -1.03 -1.18 116.25 122.32 3h57 h VAL 66 Ca 0.29 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3h57 h VAL 66 Cb -0.08 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3h57 h VAL 66 CO -0.08 0.24 0.37 0.74 0.02 0.00 0.00 177.57 178.87 3h57 h THR 67 N 0.35 1.19 0.65 2.57 2.02 -0.79 -0.70 112.91 118.21 3h57 h THR 67 Ca 0.10 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 3h57 h THR 67 Cb 0.29 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3h57 h THR 67 CO 0.00 0.20 -0.31 -1.13 0.37 0.00 0.00 175.52 174.64 3h57 h ASN 68 N 0.86 -0.74 0.25 4.18 -0.73 -0.56 -2.23 115.58 116.59 3h57 h ASN 68 Ca 0.23 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.34 3h57 h ASN 68 Cb -0.01 0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 3h57 h ASN 68 CO -0.04 -0.46 -0.25 -0.07 -0.37 0.00 0.00 177.43 176.24 3h57 h LEU 69 N -0.99 0.00 -0.40 0.34 3.38 -1.17 -1.39 115.31 115.07 3h57 h LEU 69 Ca -0.09 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 3h57 h LEU 69 Cb 0.71 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3h57 h LEU 69 CO 0.15 0.25 -0.58 0.74 0.09 0.00 0.00 178.44 179.09 3h57 h THR 70 N 0.00 1.30 -0.51 0.22 2.02 -1.12 0.12 112.91 114.95 3h57 h THR 70 Ca -0.00 -1.81 -0.10 0.00 0.77 0.00 0.00 66.41 65.27 3h57 h THR 70 Cb 0.44 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3h57 h THR 70 CO 0.03 0.57 -0.10 0.00 0.37 0.00 0.00 175.52 176.40 3h57 h ALA 71 N 0.83 0.87 -0.45 6.16 0.00 -0.94 -1.48 119.26 124.25 3h57 h ALA 71 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 3h57 h ALA 71 Cb 1.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3h57 h ALA 71 CO 0.12 0.64 -0.18 1.25 0.00 0.00 0.00 179.25 181.08 3h57 h LEU 72 N 0.83 0.94 -0.84 0.00 5.85 -1.09 -2.55 115.31 118.46 3h57 h LEU 72 Ca 0.14 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.49 3h57 h LEU 72 Cb 0.63 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3h57 h LEU 72 CO 0.04 1.12 0.54 1.23 -0.34 0.00 0.00 178.44 181.03 3h57 h GLY 73 N 0.76 1.21 1.38 3.75 0.00 -0.48 0.71 103.07 110.39 3h57 h GLY 73 Ca 0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3h57 h GLY 73 CO 0.06 0.37 0.10 0.00 0.00 0.00 0.00 176.54 177.06 3h57 h ALA 74 N 1.34 1.23 -0.20 3.60 0.00 -1.12 -0.89 119.26 123.21 3h57 h ALA 74 Ca 0.33 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3h57 h ALA 74 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3h57 h ALA 74 CO -0.10 0.53 -0.06 0.82 0.00 0.00 0.00 179.25 180.44 3h57 h ILE 75 N 0.75 1.29 -0.63 0.00 2.04 -0.90 -3.01 117.51 117.05 3h57 h ILE 75 Ca 0.16 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 3h57 h ILE 75 Cb 0.31 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3h57 h ILE 75 CO 0.00 0.32 0.26 -0.07 0.00 0.00 0.00 178.15 178.67 3h57 h LEU 76 N 0.11 0.83 -1.46 1.44 3.38 -0.56 -1.95 115.31 117.10 3h57 h LEU 76 Ca 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3h57 h LEU 76 Cb 0.52 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3h57 h LEU 76 CO 0.02 0.73 0.00 0.11 0.09 0.00 0.00 178.44 179.39 3h57 h LYS 77 N 0.90 0.00 -0.00 1.13 1.57 -1.12 -1.03 116.57 118.02 3h57 h LYS 77 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3h57 h LYS 77 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3h57 h LYS 77 CO -0.02 0.00 -0.01 1.63 -0.57 0.00 0.00 179.45 180.48 3h57 n LYS 78 N -2.76 0.10 -3.99 3.15 4.76 -0.73 -4.93 118.16 113.75 3h57 n LYS 78 Ca 0.00 -0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 3h57 n LYS 78 Cb 0.22 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.89 3h57 n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3h57 n LYS 79 N -1.45 -3.03 0.00 1.97 5.02 -0.39 -1.66 118.16 118.62 3h57 n LYS 79 Ca 0.09 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3h57 n LYS 79 Cb 0.32 -4.42 0.00 0.00 -0.02 0.00 0.00 35.03 30.91 3h57 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h57 n GLY 80 N -2.04 3.19 2.51 0.72 0.00 -1.26 -4.93 105.19 103.38 3h57 n GLY 80 Ca -0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3h57 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h57 n HIS 81 N -0.85 2.30 -1.01 1.61 8.25 -0.66 -4.62 115.22 120.24 3h57 n HIS 81 Ca 0.00 -2.49 0.02 0.00 -0.26 0.00 0.00 57.72 54.98 3h57 n HIS 81 Cb 0.00 -1.60 0.33 0.00 1.12 0.00 0.00 29.99 29.83 3h57 n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3h57 n HIS 82 N 1.19 1.96 -0.16 4.41 1.44 -1.26 -4.69 115.22 118.11 3h57 n HIS 82 Ca 0.56 -1.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.26 3h57 n HIS 82 Cb 0.35 -0.55 0.07 0.00 0.12 0.00 0.00 29.99 29.98 3h57 n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 3h57 h GLU 83 N 2.87 0.24 -0.79 -1.40 9.09 -1.99 -0.17 114.58 122.42 3h57 h GLU 83 Ca 0.12 -0.01 -0.05 0.00 0.05 0.00 0.00 59.36 59.47 3h57 h GLU 83 Cb 2.01 -0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 29.02 3h57 h GLU 83 CO 0.53 0.16 0.32 0.00 0.05 0.00 0.00 179.01 180.07 3h57 h ALA 84 N 1.40 1.03 -0.22 1.06 0.00 -2.00 -2.75 119.26 117.77 3h57 h ALA 84 Ca 0.26 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3h57 h ALA 84 Cb 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3h57 h ALA 84 CO -0.33 0.66 -0.45 0.93 0.00 0.00 0.00 179.25 180.05 3h57 h GLU 85 N 1.15 0.55 0.00 0.00 3.07 -1.77 -3.23 114.58 114.36 3h57 h GLU 85 Ca 0.26 -0.30 -0.06 0.00 -0.50 0.00 0.00 59.36 58.76 3h57 h GLU 85 Cb 0.22 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3h57 h GLU 85 CO -0.02 0.89 -0.30 -0.07 -1.40 0.00 0.00 179.01 178.11 3h57 h LEU 86 N 0.44 0.00 0.67 1.33 4.07 -0.83 -3.32 115.31 117.68 3h57 h LEU 86 Ca 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 3h57 h LEU 86 Cb 0.97 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 3h57 h LEU 86 CO 0.09 0.30 -0.50 0.11 -1.08 0.00 0.00 178.44 177.36 3h57 h LYS 87 N 0.00 -1.08 -0.62 1.13 1.57 -1.51 0.79 116.57 116.86 3h57 h LYS 87 Ca -0.00 0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3h57 h LYS 87 Cb 0.89 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 3h57 h LYS 87 CO 0.04 -0.72 0.16 -1.00 -0.57 0.00 0.00 179.45 177.36 3h57 h PRO 88 N -1.12 0.96 -0.12 3.15 0.13 -1.76 -1.71 132.00 131.53 3h57 h PRO 88 Ca -0.09 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3h57 h PRO 88 Cb 0.93 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 3h57 h PRO 88 CO 0.03 0.84 0.04 1.25 -0.23 0.00 0.00 178.00 179.94 3h57 h LEU 89 N 0.92 0.17 -0.72 1.56 5.85 -1.63 -1.74 115.31 119.71 3h57 h LEU 89 Ca 0.20 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3h57 h LEU 89 Cb 0.31 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3h57 h LEU 89 CO -0.00 0.31 0.32 0.00 -0.34 0.00 0.00 178.44 178.73 3h57 h ALA 90 N 0.86 0.94 -0.39 1.25 0.00 -0.74 -1.15 119.26 120.03 3h57 h ALA 90 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3h57 h ALA 90 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h57 h ALA 90 CO -0.00 0.53 0.13 0.37 0.00 0.00 0.00 179.25 180.28 3h57 h GLN 91 N 1.03 0.60 -0.39 0.00 4.15 -1.17 0.26 115.11 119.58 3h57 h GLN 91 Ca 0.24 -0.13 -0.16 0.00 0.77 0.00 0.00 58.65 59.38 3h57 h GLN 91 Cb 0.17 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3h57 h GLN 91 CO -0.03 0.60 -0.37 0.66 -1.93 0.00 0.00 178.83 177.77 3h57 h SER 92 N 0.48 1.00 1.23 -0.69 4.64 -1.20 -1.27 113.55 117.74 3h57 h SER 92 Ca 0.13 -0.45 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 3h57 h SER 92 Cb 0.25 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3h57 h SER 92 CO -0.00 1.25 -0.30 0.45 -0.87 0.00 0.00 176.83 177.35 3h57 h HIS 93 N 0.77 0.00 0.13 4.77 3.86 -1.13 -0.33 115.15 123.22 3h57 h HIS 93 Ca 0.07 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.99 3h57 h HIS 93 Cb 0.96 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.43 3h57 h HIS 93 CO 0.06 0.30 -1.47 0.00 0.86 0.00 0.00 177.93 177.68 3h57 h ALA 94 N 1.70 0.17 0.04 2.45 0.00 -0.90 0.13 119.26 122.86 3h57 h ALA 94 Ca -0.00 -1.09 -0.35 0.00 0.00 0.00 0.00 54.91 53.47 3h57 h ALA 94 Cb 1.00 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 3h57 h ALA 94 CO 0.04 0.86 -2.08 2.41 0.00 0.00 0.00 179.25 180.48 3h57 n THR 95 N -3.86 1.61 -0.09 0.00 -1.04 -0.48 -4.10 114.28 106.31 3h57 n THR 95 Ca -0.25 -0.71 -0.09 0.00 -2.04 0.00 0.00 64.05 60.96 3h57 n THR 95 Cb 0.93 -1.26 -0.03 0.00 -1.82 0.00 0.00 70.33 68.15 3h57 n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3h57 n LYS 96 N -3.19 0.52 0.12 -2.82 4.81 -0.27 -4.67 118.16 112.65 3h57 n LYS 96 Ca -0.31 0.29 -0.01 0.00 -0.87 0.00 0.00 58.31 57.41 3h57 n LYS 96 Cb 1.06 -1.50 0.09 0.00 0.02 0.00 0.00 35.03 34.70 3h57 n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3h57 h HIS 97 N -1.00 0.00 -5.60 5.64 3.86 -1.35 -3.49 115.15 113.22 3h57 h HIS 97 Ca -0.04 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.93 3h57 h HIS 97 Cb 0.92 0.00 0.14 0.00 1.06 0.00 0.00 27.41 29.53 3h57 h HIS 97 CO -0.36 0.67 -0.72 1.63 0.86 0.00 0.00 177.93 180.01 3h57 n LYS 98 N -3.52 -1.88 -3.44 2.45 4.01 -0.23 -4.97 118.16 110.57 3h57 n LYS 98 Ca -0.00 0.92 -0.43 0.00 -0.51 0.00 0.00 58.31 58.28 3h57 n LYS 98 Cb 0.71 -5.45 -0.09 0.00 -0.51 0.00 0.00 35.03 29.69 3h57 n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3h57 s ILE 99 N -3.32 5.19 0.70 -0.18 -1.09 0.30 -5.02 121.20 117.79 3h57 s ILE 99 Ca 0.37 -0.84 -0.14 0.00 -2.23 0.00 0.00 60.65 57.81 3h57 s ILE 99 Cb -0.07 -3.98 0.02 0.00 -1.58 0.00 0.00 42.46 36.86 3h57 s ILE 99 CO 0.77 -0.41 1.13 -2.16 -1.23 0.00 0.00 174.94 173.04 3h57 s PRO 100 N 1.65 2.51 0.43 2.79 0.04 -1.26 -4.82 135.00 136.33 3h57 s PRO 100 Ca 0.04 1.46 0.14 0.00 0.04 0.00 0.00 61.00 62.68 3h57 s PRO 100 Cb -0.21 -1.91 1.02 0.00 0.04 0.00 0.00 34.50 33.44 3h57 s PRO 100 CO 0.08 -1.49 1.95 0.82 0.04 0.00 0.00 177.00 178.40 3h57 h ILE 101 N -0.26 0.86 -0.94 0.56 1.08 -1.06 0.21 117.51 117.96 3h57 h ILE 101 Ca -0.46 -0.15 0.11 0.00 -0.39 0.00 0.00 64.86 63.97 3h57 h ILE 101 Cb 1.26 0.38 -0.07 0.00 -3.07 0.00 0.00 36.82 35.32 3h57 h ILE 101 CO 0.52 0.08 0.60 0.50 -0.69 0.00 0.00 178.15 179.16 3h57 h LYS 102 N 0.44 0.87 0.00 2.37 1.63 -1.91 0.46 116.57 120.43 3h57 h LYS 102 Ca 0.32 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.95 3h57 h LYS 102 Cb 0.66 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 3h57 h LYS 102 CO -0.10 0.58 -0.56 1.88 -3.45 0.00 0.00 179.45 177.80 3h57 h TYR 103 N 0.90 0.00 0.00 1.91 -1.99 -1.31 -2.13 116.97 114.35 3h57 h TYR 103 Ca 0.45 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 61.05 3h57 h TYR 103 Cb 0.49 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 3h57 h TYR 103 CO -0.00 0.56 -0.64 -0.07 -0.00 0.00 0.00 178.16 178.01 3h57 h LEU 104 N 0.00 0.00 -0.36 3.88 3.38 -0.75 -1.53 115.31 119.94 3h57 h LEU 104 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3h57 h LEU 104 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3h57 h LEU 104 CO 0.07 0.64 -0.48 -0.33 0.09 0.00 0.00 178.44 178.43 3h57 h GLU 105 N 0.00 0.89 -0.34 1.13 5.08 -0.80 -1.56 114.58 118.97 3h57 h GLU 105 Ca -0.01 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3h57 h GLU 105 Cb 1.21 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3h57 h GLU 105 CO 0.08 1.16 0.20 0.74 -1.00 0.00 0.00 179.01 180.20 3h57 h PHE 106 N 0.70 0.46 0.00 4.33 0.04 -1.04 -0.26 116.94 121.17 3h57 h PHE 106 Ca 0.03 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 3h57 h PHE 106 Cb 1.08 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 3h57 h PHE 106 CO 0.07 0.34 -0.36 0.97 -0.60 0.00 0.00 178.31 178.73 3h57 h ILE 107 N 0.44 0.99 -0.53 -0.55 2.10 -1.24 -1.48 117.51 117.24 3h57 h ILE 107 Ca 0.12 -1.36 -0.12 0.00 1.08 0.00 0.00 64.86 64.58 3h57 h ILE 107 Cb 0.02 1.80 -0.02 0.00 -1.09 0.00 0.00 36.82 37.53 3h57 h ILE 107 CO -0.02 0.35 -0.13 0.28 -1.08 0.00 0.00 178.15 177.55 3h57 h SER 108 N 0.00 1.04 -0.77 2.19 0.02 -0.70 -0.52 113.55 114.80 3h57 h SER 108 Ca -0.00 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 3h57 h SER 108 Cb 0.77 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 3h57 h SER 108 CO 0.05 1.15 0.32 -0.08 -1.14 0.00 0.00 176.83 177.13 3h57 h GLU 109 N 0.91 1.15 -0.49 3.45 4.81 -0.47 -1.99 114.58 121.96 3h57 h GLU 109 Ca 0.14 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 3h57 h GLU 109 Cb 0.70 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3h57 h GLU 109 CO 0.05 0.93 0.04 0.00 -0.73 0.00 0.00 179.01 179.31 3h57 h ALA 110 N 1.21 0.65 -0.52 2.92 0.00 -0.88 -1.09 119.26 121.57 3h57 h ALA 110 Ca 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h57 h ALA 110 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3h57 h ALA 110 CO -0.02 0.42 0.26 0.82 0.00 0.00 0.00 179.25 180.73 3h57 h ILE 111 N 0.70 1.19 -0.62 0.00 1.08 -0.86 -1.45 117.51 117.54 3h57 h ILE 111 Ca 0.14 -0.51 -0.09 0.00 -0.39 0.00 0.00 64.86 64.02 3h57 h ILE 111 Cb 0.45 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 3h57 h ILE 111 CO 0.02 0.20 0.05 0.40 -0.69 0.00 0.00 178.15 178.13 3h57 h ILE 112 N 0.69 1.26 -0.46 -0.67 2.04 -1.24 -1.37 117.51 117.75 3h57 h ILE 112 Ca 0.18 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 3h57 h ILE 112 Cb 0.09 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3h57 h ILE 112 CO -0.03 0.40 0.19 -0.74 0.00 0.00 0.00 178.15 177.97 3h57 h HIS 113 N 0.97 0.70 -0.33 1.37 2.76 -0.88 -0.29 115.15 119.45 3h57 h HIS 113 Ca 0.18 -0.05 -0.11 0.00 -2.20 0.00 0.00 60.37 58.19 3h57 h HIS 113 Cb 0.50 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3h57 h HIS 113 CO 0.03 0.60 -0.22 0.28 -1.30 0.00 0.00 177.93 177.32 3h57 h VAL 114 N 0.60 1.29 -0.44 5.26 2.07 -1.14 -1.85 116.25 122.05 3h57 h VAL 114 Ca 0.15 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.23 3h57 h VAL 114 Cb 0.19 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3h57 h VAL 114 CO -0.01 0.44 -0.06 -0.07 0.02 0.00 0.00 177.57 177.89 3h57 h LEU 115 N 0.51 0.73 -0.80 2.57 3.38 -1.19 0.57 115.31 121.07 3h57 h LEU 115 Ca 0.07 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3h57 h LEU 115 Cb 0.78 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3h57 h LEU 115 CO 0.06 0.83 0.32 -0.74 0.09 0.00 0.00 178.44 179.00 3h57 h HIS 116 N 0.69 1.22 -0.02 1.13 2.76 -0.89 0.12 115.15 120.17 3h57 h HIS 116 Ca 0.13 -0.09 -0.11 0.00 -2.20 0.00 0.00 60.37 58.10 3h57 h HIS 116 Cb 0.51 -0.37 0.01 0.00 1.55 0.00 0.00 27.41 29.11 3h57 h HIS 116 CO 0.03 0.92 -0.40 0.77 -1.30 0.00 0.00 177.93 177.95 3h57 h SER 117 N 1.17 0.38 0.99 3.26 0.02 -0.95 -3.35 113.55 115.06 3h57 h SER 117 Ca 0.27 -0.74 -0.20 0.00 -0.84 0.00 0.00 61.79 60.28 3h57 h SER 117 Cb 0.21 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3h57 h SER 117 CO -0.02 1.07 -1.05 0.03 -1.14 0.00 0.00 176.83 175.71 3h57 h ARG 118 N -0.27 0.00 -1.75 3.45 3.08 -0.88 -3.41 114.38 114.60 3h57 h ARG 118 Ca -0.05 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.46 3h57 h ARG 118 Cb 1.12 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.75 3h57 h ARG 118 CO 0.08 0.76 -0.81 0.72 -1.07 0.00 0.00 179.97 179.65 3h57 n HIS 119 N -3.24 3.00 0.23 3.04 8.25 0.42 -4.84 115.22 122.08 3h57 n HIS 119 Ca -0.03 -3.43 0.17 0.00 -0.26 0.00 0.00 57.72 54.16 3h57 n HIS 119 Cb 0.91 -0.29 0.86 0.00 1.12 0.00 0.00 29.99 32.59 3h57 n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3h57 h PRO 120 N 2.81 0.00 0.00 -0.41 0.13 -1.74 0.27 132.00 133.06 3h57 h PRO 120 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 3h57 h PRO 120 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 3h57 h PRO 120 CO 0.76 0.00 -0.07 0.78 -0.23 0.00 0.00 178.00 179.23 3h57 h GLY 121 N 0.00 0.00 -0.44 1.56 0.00 -1.94 -3.24 103.07 99.02 3h57 h GLY 121 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3h57 h GLY 121 CO -0.00 0.00 -0.22 0.70 0.00 0.00 0.00 176.54 177.02 3h57 n ASN 122 N -3.22 0.71 -2.85 0.19 3.02 -0.11 -4.86 115.26 108.14 3h57 n ASN 122 Ca 0.00 -1.98 -0.14 0.00 -0.03 0.00 0.00 54.58 52.43 3h57 n ASN 122 Cb 0.32 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 3h57 n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3h57 n PHE 123 N -0.35 1.05 -0.79 3.10 7.35 0.78 -4.51 117.46 124.08 3h57 n PHE 123 Ca 0.03 -3.23 0.00 0.00 -0.76 0.00 0.00 57.45 53.49 3h57 n PHE 123 Cb 0.59 -0.38 0.00 0.00 0.35 0.00 0.00 39.48 40.04 3h57 n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3h57 n GLY 124 N 0.03 -1.47 0.12 7.13 0.00 -1.26 -4.59 105.19 105.15 3h57 n GLY 124 Ca 0.17 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 3h57 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h57 h ALA 125 N -2.00 0.03 -0.59 4.61 0.00 -1.98 -0.12 119.26 119.21 3h57 h ALA 125 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3h57 h ALA 125 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3h57 h ALA 125 CO 0.00 -0.53 0.25 -0.44 0.00 0.00 0.00 179.25 178.54 3h57 h ASP 126 N -0.07 0.79 -0.67 0.00 3.32 -1.99 -0.87 116.42 116.94 3h57 h ASP 126 Ca 0.07 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 3h57 h ASP 126 Cb 0.17 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3h57 h ASP 126 CO -0.16 0.73 0.16 0.00 -1.72 0.00 0.00 179.24 178.26 3h57 h ALA 127 N 1.09 1.00 -0.55 3.45 0.00 -1.85 -0.90 119.26 121.51 3h57 h ALA 127 Ca 0.20 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3h57 h ALA 127 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3h57 h ALA 127 CO -0.02 0.65 -0.01 0.37 0.00 0.00 0.00 179.25 180.24 3h57 h GLN 128 N 1.03 0.95 -0.78 0.00 4.15 -0.76 -1.02 115.11 118.69 3h57 h GLN 128 Ca 0.22 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3h57 h GLN 128 Cb 0.36 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 3h57 h GLN 128 CO 0.00 0.94 0.45 0.78 -1.93 0.00 0.00 178.83 179.08 3h57 h GLY 129 N 0.99 1.14 0.97 2.39 0.00 -0.66 0.23 103.07 108.14 3h57 h GLY 129 Ca 0.16 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3h57 h GLY 129 CO 0.03 0.48 0.18 0.00 0.00 0.00 0.00 176.54 177.22 3h57 h ALA 130 N 1.24 0.64 -0.62 3.60 0.00 -0.69 -1.28 119.26 122.15 3h57 h ALA 130 Ca 0.28 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3h57 h ALA 130 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3h57 h ALA 130 CO -0.05 0.28 0.11 1.98 0.00 0.00 0.00 179.25 181.56 3h57 h MET 131 N 0.66 1.03 -0.77 0.00 -1.53 -0.83 -1.12 114.93 112.38 3h57 h MET 131 Ca 0.16 -0.27 -0.02 0.00 -3.44 0.00 0.00 59.70 56.13 3h57 h MET 131 Cb 0.23 -0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 31.12 3h57 h MET 131 CO -0.01 0.96 0.41 -0.97 0.14 0.00 0.00 176.91 177.44 3h57 h ASN 132 N 0.94 0.96 -0.63 1.39 -1.24 -0.73 -0.45 115.58 115.83 3h57 h ASN 132 Ca 0.19 -0.10 -0.05 0.00 0.71 0.00 0.00 56.30 57.05 3h57 h ASN 132 Cb 0.42 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.20 3h57 h ASN 132 CO 0.01 0.79 0.22 0.50 -1.29 0.00 0.00 177.43 177.66 3h57 h LYS 133 N 1.06 0.99 -0.44 6.67 3.64 -0.88 0.15 116.57 127.75 3h57 h LYS 133 Ca 0.27 -0.18 -0.14 0.00 -1.27 0.00 0.00 60.65 59.33 3h57 h LYS 133 Cb 0.04 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3h57 h LYS 133 CO -0.04 0.83 -0.26 0.00 -2.27 0.00 0.00 179.45 177.71 3h57 h ALA 134 N 1.28 0.63 -0.04 5.00 0.00 -0.69 -1.88 119.26 123.57 3h57 h ALA 134 Ca 0.22 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 3h57 h ALA 134 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3h57 h ALA 134 CO -0.01 0.64 -0.69 -0.07 0.00 0.00 0.00 179.25 179.12 3h57 h LEU 135 N 0.79 0.22 -0.85 0.00 3.38 -0.78 -1.22 115.31 116.85 3h57 h LEU 135 Ca 0.09 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3h57 h LEU 135 Cb 0.84 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3h57 h LEU 135 CO 0.07 0.84 -0.25 -0.33 0.09 0.00 0.00 178.44 178.86 3h57 h GLU 136 N 0.13 0.57 -0.27 1.13 5.08 -0.60 -0.18 114.58 120.43 3h57 h GLU 136 Ca -0.02 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 3h57 h GLU 136 Cb 1.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3h57 h GLU 136 CO 0.10 0.77 -0.06 1.25 -1.00 0.00 0.00 179.01 180.08 3h57 h LEU 137 N 0.50 0.53 -0.07 1.33 5.85 -1.15 0.47 115.31 122.78 3h57 h LEU 137 Ca 0.07 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3h57 h LEU 137 Cb 0.70 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3h57 h LEU 137 CO 0.05 0.77 -0.14 0.15 -0.34 0.00 0.00 178.44 178.93 3h57 h PHE 138 N 0.28 -0.36 -0.29 1.25 3.57 -0.93 -0.53 116.94 119.93 3h57 h PHE 138 Ca 0.07 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 3h57 h PHE 138 Cb 0.53 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3h57 h PHE 138 CO 0.05 -0.21 -0.14 0.00 -2.23 0.00 0.00 178.31 175.79 3h57 h ARG 139 N -0.20 0.49 -0.21 1.11 3.08 -0.93 -0.25 114.38 117.47 3h57 h ARG 139 Ca 0.07 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3h57 h ARG 139 Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3h57 h ARG 139 CO -0.19 0.62 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.12 3h57 h LYS 140 N 0.45 0.38 -0.28 0.04 3.64 -0.45 -0.41 116.57 119.93 3h57 h LYS 140 Ca 0.08 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 3h57 h LYS 140 Cb 0.51 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3h57 h LYS 140 CO 0.03 0.57 -0.38 -0.44 -2.27 0.00 0.00 179.45 176.97 3h57 h ASP 141 N 0.14 0.69 -0.67 4.20 3.32 -0.95 -2.04 116.42 121.11 3h57 h ASP 141 Ca 0.06 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 3h57 h ASP 141 Cb 0.40 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3h57 h ASP 141 CO 0.01 1.00 0.20 0.40 -1.72 0.00 0.00 179.24 179.13 3h57 h ILE 142 N 0.54 1.25 -0.77 0.35 2.04 -0.96 -1.61 117.51 118.35 3h57 h ILE 142 Ca 0.05 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3h57 h ILE 142 Cb 0.90 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3h57 h ILE 142 CO 0.08 0.34 0.39 0.00 0.00 0.00 0.00 178.15 178.96 3h57 h ALA 143 N 1.09 1.00 -0.87 1.87 0.00 -0.88 0.18 119.26 121.65 3h57 h ALA 143 Ca 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3h57 h ALA 143 Cb 0.31 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3h57 h ALA 143 CO -0.01 0.54 0.43 0.00 0.00 0.00 0.00 179.25 180.22 3h57 h ALA 144 N 1.20 1.11 -0.40 0.00 0.00 -1.02 -1.48 119.26 118.68 3h57 h ALA 144 Ca 0.27 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3h57 h ALA 144 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3h57 h ALA 144 CO -0.04 0.66 -0.16 0.87 0.00 0.00 0.00 179.25 180.58 3h57 h LYS 145 N 1.23 0.82 -0.55 0.00 1.79 -0.70 -2.35 116.57 116.80 3h57 h LYS 145 Ca 0.30 -0.35 0.10 0.00 -2.18 0.00 0.00 60.65 58.52 3h57 h LYS 145 Cb 0.09 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.63 3h57 h LYS 145 CO -0.04 0.97 0.12 1.88 -1.08 0.00 0.00 179.45 181.30 3h57 h TYR 146 N 0.63 0.19 -0.71 -1.35 -1.99 -0.18 0.11 116.97 113.66 3h57 h TYR 146 Ca 0.09 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 3h57 h TYR 146 Cb 0.71 -0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.41 3h57 h TYR 146 CO 0.06 -0.01 0.40 -0.22 -0.00 0.00 0.00 178.16 178.39 3h57 h LYS 147 N 0.25 0.99 -0.13 4.88 3.64 -1.10 -0.30 116.57 124.80 3h57 h LYS 147 Ca 0.28 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3h57 h LYS 147 Cb 0.39 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3h57 h LYS 147 CO -0.36 0.73 -0.16 0.93 -2.27 0.00 0.00 179.45 178.32 3h57 h GLU 148 N 0.98 0.22 0.00 1.90 5.08 -0.72 -2.23 114.58 119.80 3h57 h GLU 148 Ca 0.25 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3h57 h GLU 148 Cb 0.02 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3h57 h GLU 148 CO -0.04 0.39 -0.12 1.28 -1.00 0.00 0.00 179.01 179.52 3h57 n LEU 149 N -4.25 0.27 0.00 1.33 4.77 -0.08 -4.94 117.00 114.10 3h57 n LEU 149 Ca -0.01 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3h57 n LEU 149 Cb 0.29 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3h57 n LEU 149 CO 0.38 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3h57 n GLY 150 N 1.46 0.84 0.50 -0.72 0.00 -0.55 -4.99 105.19 101.73 3h57 n GLY 150 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 3h57 n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3h57 n TYR 151 N -2.29 0.00 -3.71 1.61 9.36 -0.23 -5.01 117.16 116.89 3h57 n TYR 151 Ca 0.00 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.97 3h57 n TYR 151 Cb 0.00 -0.24 0.03 0.00 -0.63 0.00 0.00 39.34 38.49 3h57 n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 3h57 n GLN 152 N -3.84 -3.07 0.00 2.98 -0.06 -1.02 -4.87 117.38 107.50 3h57 n GLN 152 Ca -0.07 0.54 0.11 0.00 -2.00 0.00 0.00 57.00 55.58 3h57 n GLN 152 Cb 0.25 -4.73 0.64 0.00 -4.06 0.00 0.00 30.24 22.35 3h57 n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27