#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h88 s ILE 2 N 0.00 2.68 -0.15 0.00 1.01 -1.26 -4.92 121.20 118.57 3h88 s ILE 2 Ca 0.00 -0.77 0.19 0.00 0.00 0.00 0.00 60.65 60.06 3h88 s ILE 2 Cb 0.00 -2.12 -0.27 0.00 0.01 0.00 0.00 42.46 40.08 3h88 s ILE 2 CO 0.00 0.52 0.24 0.52 0.00 0.00 0.00 174.94 176.22 3h88 n VAL 3 N 3.86 1.00 -3.51 2.92 0.31 0.50 -4.92 118.33 118.50 3h88 n VAL 3 Ca -0.19 -0.75 -0.14 0.00 -0.01 0.00 0.00 64.34 63.26 3h88 n VAL 3 Cb 0.52 -0.36 -0.04 0.00 -0.91 0.00 0.00 33.84 33.05 3h88 n VAL 3 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3h88 s GLY 4 N -5.18 -0.50 -0.02 2.92 0.00 -1.08 -4.97 107.32 98.49 3h88 s GLY 4 Ca -0.09 1.25 -0.01 0.00 0.00 0.00 0.00 44.72 45.86 3h88 s GLY 4 CO 0.85 0.71 0.06 -2.27 0.00 0.00 0.00 173.10 172.45 3h88 s LEU 5 N -1.70 1.50 0.01 0.66 2.96 -1.25 -1.84 118.68 119.01 3h88 s LEU 5 Ca -0.04 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3h88 s LEU 5 Cb -0.00 0.14 -0.01 0.00 0.50 0.00 0.00 46.19 46.81 3h88 s LEU 5 CO 0.00 -0.06 0.01 -0.83 -1.32 0.00 0.00 176.35 174.15 3h88 s GLY 6 N 0.42 0.13 0.03 7.98 0.00 -0.32 -3.57 107.32 112.00 3h88 s GLY 6 Ca -0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 44.72 44.32 3h88 s GLY 6 CO -0.01 -0.38 0.07 -1.08 0.00 0.00 0.00 173.10 171.70 3h88 s THR 7 N -0.97 0.13 -0.10 0.90 -1.32 -1.26 -1.17 115.64 111.84 3h88 s THR 7 Ca -0.11 -1.06 -0.21 0.00 -1.21 0.00 0.00 61.69 59.11 3h88 s THR 7 Cb -0.07 -0.77 0.05 0.00 -1.51 0.00 0.00 72.50 70.20 3h88 s THR 7 CO -0.00 -0.58 0.50 -0.62 -2.21 0.00 0.00 174.62 171.70 3h88 s ASP 8 N -1.97 -0.47 -0.03 8.08 2.15 -0.40 -4.49 116.67 119.53 3h88 s ASP 8 Ca -0.07 0.68 0.05 0.00 0.43 0.00 0.00 52.55 53.64 3h88 s ASP 8 Cb -0.03 0.71 -0.01 0.00 -0.30 0.00 0.00 42.92 43.29 3h88 s ASP 8 CO -0.04 -0.37 -0.18 -0.51 -0.17 0.00 0.00 175.17 173.90 3h88 s ILE 9 N -0.58 1.45 -0.06 4.11 2.07 -1.26 -1.24 121.20 125.70 3h88 s ILE 9 Ca -0.07 -0.76 0.02 0.00 -1.41 0.00 0.00 60.65 58.43 3h88 s ILE 9 Cb -0.03 -1.23 0.02 0.00 0.13 0.00 0.00 42.46 41.35 3h88 s ILE 9 CO 0.04 0.41 -0.09 0.00 -1.91 0.00 0.00 174.94 173.40 3h88 s ALA 10 N -0.22 0.98 -0.30 1.50 0.00 0.10 -5.00 121.76 118.83 3h88 s ALA 10 Ca 0.02 -0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.46 3h88 s ALA 10 Cb -0.09 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.54 3h88 s ALA 10 CO 0.01 0.05 1.01 -2.00 0.00 0.00 0.00 175.76 174.84 3h88 s GLU 11 N 0.78 4.07 0.21 0.00 2.12 -1.26 -1.22 118.70 123.41 3h88 s GLU 11 Ca -0.13 1.02 -0.09 0.00 0.36 0.00 0.00 54.97 56.12 3h88 s GLU 11 Cb -0.15 -3.72 0.17 0.00 0.26 0.00 0.00 34.13 30.69 3h88 s GLU 11 CO 0.02 -0.82 1.85 0.82 -0.54 0.00 0.00 175.26 176.59 3h88 h ILE 12 N 5.67 1.23 -0.29 -3.70 2.04 -1.56 -2.22 117.51 118.67 3h88 h ILE 12 Ca -0.21 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.18 3h88 h ILE 12 Cb 1.07 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3h88 h ILE 12 CO 1.00 0.24 0.20 -0.33 0.00 0.00 0.00 178.15 179.26 3h88 h GLU 13 N 1.10 0.22 -0.19 2.37 5.08 -1.93 -1.27 114.58 119.96 3h88 h GLU 13 Ca 0.29 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.50 3h88 h GLU 13 Cb -0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3h88 h GLU 13 CO -0.05 0.14 -0.44 0.00 -1.00 0.00 0.00 179.01 177.66 3h88 h ARG 14 N 0.22 0.48 -0.34 2.33 3.08 -1.79 -1.04 114.38 117.33 3h88 h ARG 14 Ca 0.13 -0.25 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 3h88 h ARG 14 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3h88 h ARG 14 CO -0.02 0.83 -0.23 0.28 -1.07 0.00 0.00 179.97 179.75 3h88 h VAL 15 N 0.39 1.29 -0.44 2.04 2.07 -1.33 -1.94 116.25 118.32 3h88 h VAL 15 Ca 0.03 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.19 3h88 h VAL 15 Cb 0.93 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3h88 h VAL 15 CO 0.08 0.45 0.26 -0.33 0.02 0.00 0.00 177.57 178.05 3h88 h GLU 16 N 0.54 0.50 -0.30 1.57 5.08 -0.99 -0.41 114.58 120.57 3h88 h GLU 16 Ca 0.07 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 3h88 h GLU 16 Cb 0.79 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3h88 h GLU 16 CO 0.06 0.33 -0.20 0.87 -1.00 0.00 0.00 179.01 179.08 3h88 h LYS 17 N 0.52 0.55 -0.43 2.33 1.57 -1.17 -0.34 116.57 119.61 3h88 h LYS 17 Ca 0.18 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 3h88 h LYS 17 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3h88 h LYS 17 CO -0.09 0.72 -0.13 0.00 -0.57 0.00 0.00 179.45 179.38 3h88 h ALA 18 N 1.29 0.96 -0.31 3.86 0.00 -1.03 -1.88 119.26 122.16 3h88 h ALA 18 Ca 0.08 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3h88 h ALA 18 Cb 0.62 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3h88 h ALA 18 CO 0.04 0.61 -0.32 -0.07 0.00 0.00 0.00 179.25 179.52 3h88 h LEU 19 N 0.71 0.68 -1.32 0.00 3.38 -0.47 0.02 115.31 118.31 3h88 h LEU 19 Ca 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3h88 h LEU 19 Cb 0.62 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3h88 h LEU 19 CO 0.04 0.95 0.07 0.00 0.09 0.00 0.00 178.44 179.59 3h88 h ALA 20 N 1.09 1.45 0.07 1.53 0.00 -0.77 0.64 119.26 123.27 3h88 h ALA 20 Ca 0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3h88 h ALA 20 Cb 0.82 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3h88 h ALA 20 CO 0.07 0.40 -0.55 0.00 0.00 0.00 0.00 179.25 179.16 3h88 h ARG 21 N 0.52 0.14 -0.00 0.00 3.08 -1.17 -3.42 114.38 113.53 3h88 h ARG 21 Ca 0.12 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3h88 h ARG 21 Cb 0.23 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3h88 h ARG 21 CO -0.00 1.12 -0.00 0.43 -1.07 0.00 0.00 179.97 180.45 3h88 n SER 22 N -4.34 0.24 0.00 7.04 7.64 -0.02 -5.06 113.62 119.12 3h88 n SER 22 Ca -0.15 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.11 3h88 n SER 22 Cb 0.67 0.76 0.00 0.00 -1.01 0.00 0.00 64.21 64.63 3h88 n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h88 n GLY 23 N 0.76 3.08 0.31 0.23 0.00 0.21 -1.69 105.19 108.08 3h88 n GLY 23 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.16 3h88 n GLY 23 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h88 h GLU 24 N 0.00 0.31 -0.71 1.61 4.57 -1.95 -0.62 114.58 117.79 3h88 h GLU 24 Ca 0.00 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3h88 h GLU 24 Cb 0.00 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 3h88 h GLU 24 CO 0.00 0.20 0.46 -0.91 -1.18 0.00 0.00 179.01 177.58 3h88 h ASN 25 N 0.32 0.78 0.06 1.04 2.35 -1.75 0.25 115.58 118.64 3h88 h ASN 25 Ca 0.14 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3h88 h ASN 25 Cb 0.16 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3h88 h ASN 25 CO -0.03 0.56 -0.03 0.15 -1.65 0.00 0.00 177.43 176.43 3h88 h PHE 26 N 0.92 -0.08 -0.78 1.19 3.57 -1.36 -3.10 116.94 117.31 3h88 h PHE 26 Ca 0.27 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.82 3h88 h PHE 26 Cb -0.06 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3h88 h PHE 26 CO -0.03 0.25 0.48 0.00 -2.23 0.00 0.00 178.31 176.77 3h88 h ALA 27 N 0.50 1.04 0.00 2.41 0.00 -0.84 -1.70 119.26 120.67 3h88 h ALA 27 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 27 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h88 h ALA 27 CO 0.01 0.22 -0.19 -0.09 0.00 0.00 0.00 179.25 179.20 3h88 h ARG 28 N 0.89 0.00 -0.31 0.00 2.43 -0.58 -1.33 114.38 115.48 3h88 h ARG 28 Ca 0.33 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.38 3h88 h ARG 28 Cb 0.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3h88 h ARG 28 CO -0.15 0.19 -0.30 0.00 -1.51 0.00 0.00 179.97 178.20 3h88 h ARG 29 N 0.00 0.65 0.11 0.20 3.08 -1.23 -3.34 114.38 113.85 3h88 h ARG 29 Ca -0.00 -0.28 -0.34 0.00 0.07 0.00 0.00 59.98 59.43 3h88 h ARG 29 Cb 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3h88 h ARG 29 CO 0.03 0.87 -1.82 0.82 -1.07 0.00 0.00 179.97 178.80 3h88 h ILE 30 N 0.55 0.81 -2.96 2.04 1.08 -1.33 -3.41 117.51 114.30 3h88 h ILE 30 Ca 0.07 -2.52 -0.65 0.00 -0.39 0.00 0.00 64.86 61.36 3h88 h ILE 30 Cb 0.79 2.57 -0.08 0.00 -3.07 0.00 0.00 36.82 37.03 3h88 h ILE 30 CO 0.07 0.80 -0.54 -0.76 -0.69 0.00 0.00 178.15 177.02 3h88 s LEU 31 N -6.87 4.10 0.83 1.44 1.43 -0.55 -4.43 118.68 114.63 3h88 s LEU 31 Ca -0.15 0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 3h88 s LEU 31 Cb 0.07 -2.33 0.10 0.00 0.03 0.00 0.00 46.19 44.06 3h88 s LEU 31 CO 0.81 0.29 1.20 0.42 0.23 0.00 0.00 176.35 179.30 3h88 s THR 32 N -1.20 2.00 0.27 5.49 -4.23 -1.26 -4.74 115.64 111.98 3h88 s THR 32 Ca 0.23 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 3h88 s THR 32 Cb -0.12 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.97 3h88 s THR 32 CO 0.13 0.00 1.78 0.44 -0.54 0.00 0.00 174.62 176.43 3h88 h ASP 33 N -1.15 0.63 0.43 3.99 3.32 -1.97 -0.45 116.42 121.22 3h88 h ASP 33 Ca -0.46 0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 3h88 h ASP 33 Cb 1.32 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 3h88 h ASP 33 CO 0.62 0.28 -0.61 0.77 -1.72 0.00 0.00 179.24 178.57 3h88 h SER 34 N 0.71 0.20 0.45 6.45 4.64 -2.01 -2.61 113.55 121.37 3h88 h SER 34 Ca 0.48 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 61.51 3h88 h SER 34 Cb 0.65 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3h88 h SER 34 CO -0.34 0.76 -0.74 -0.33 -0.87 0.00 0.00 176.83 175.31 3h88 h GLU 35 N 0.13 0.24 0.00 4.77 5.08 -1.76 -3.23 114.58 119.81 3h88 h GLU 35 Ca -0.01 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3h88 h GLU 35 Cb 1.11 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 3h88 h GLU 35 CO 0.09 0.87 -0.12 1.25 -1.00 0.00 0.00 179.01 180.10 3h88 h LEU 36 N 0.16 0.00 -0.24 1.33 5.85 -0.72 0.09 115.31 121.78 3h88 h LEU 36 Ca -0.03 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 3h88 h LEU 36 Cb 1.31 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 3h88 h LEU 36 CO 0.12 0.12 -0.41 -0.33 -0.34 0.00 0.00 178.44 177.60 3h88 h GLU 37 N 0.00 0.70 -0.34 1.25 4.39 -1.54 -1.95 114.58 117.07 3h88 h GLU 37 Ca -0.00 -0.43 -0.13 0.00 0.34 0.00 0.00 59.36 59.14 3h88 h GLU 37 Cb 0.39 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3h88 h GLU 37 CO 0.02 1.05 -0.32 1.96 -1.16 0.00 0.00 179.01 180.56 3h88 h GLN 38 N 0.41 0.75 0.11 2.33 4.20 -1.36 -2.79 115.11 118.76 3h88 h GLN 38 Ca 0.02 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 3h88 h GLN 38 Cb 1.01 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3h88 h GLN 38 CO 0.09 0.96 -0.05 0.35 -0.67 0.00 0.00 178.83 179.51 3h88 h PHE 39 N 0.63 -0.14 -0.45 2.96 3.57 -1.03 -1.96 116.94 120.52 3h88 h PHE 39 Ca 0.07 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.70 3h88 h PHE 39 Cb 0.85 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 3h88 h PHE 39 CO 0.04 -0.07 0.33 0.45 -2.23 0.00 0.00 178.31 176.84 3h88 h HIS 40 N -0.17 0.00 0.00 0.41 3.86 -1.28 -0.10 115.15 117.88 3h88 h HIS 40 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3h88 h HIS 40 Cb 0.13 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3h88 h HIS 40 CO -0.06 0.00 -0.20 0.00 0.86 0.00 0.00 177.93 178.52 3h88 n ALA 41 N -2.63 2.54 -1.79 2.45 0.00 -0.77 -4.86 120.51 115.44 3h88 n ALA 41 Ca 0.08 -0.11 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 3h88 n ALA 41 Cb 0.53 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 3h88 n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h88 s SER 42 N -4.18 6.34 0.00 0.00 0.15 -0.05 -4.96 113.70 111.00 3h88 s SER 42 Ca 0.10 1.97 0.14 0.00 0.70 0.00 0.00 55.95 58.86 3h88 s SER 42 Cb 0.14 -2.57 0.33 0.00 -1.71 0.00 0.00 66.02 62.21 3h88 s SER 42 CO 0.63 -0.78 1.24 1.17 1.20 0.00 0.00 173.24 176.70 3h88 n LYS 43 N -0.88 2.38 -3.18 5.44 3.00 -1.26 -4.47 118.16 119.19 3h88 n LYS 43 Ca 0.09 -2.00 -0.21 0.00 -0.00 0.00 0.00 58.31 56.18 3h88 n LYS 43 Cb 0.52 -1.33 -0.05 0.00 0.00 0.00 0.00 35.03 34.17 3h88 n LYS 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3h88 n GLN 44 N 0.82 1.22 -0.34 1.64 10.64 -1.26 -4.98 117.38 125.12 3h88 n GLN 44 Ca 0.13 -3.56 -0.03 0.00 -1.83 0.00 0.00 57.00 51.71 3h88 n GLN 44 Cb 0.45 -1.64 0.09 0.00 -0.86 0.00 0.00 30.24 28.28 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h88 h GLN 45 N 3.40 1.23 -0.67 2.61 4.20 -1.88 -1.09 115.11 122.90 3h88 h GLN 45 Ca 0.10 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.73 3h88 h GLN 45 Cb 0.87 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 3h88 h GLN 45 CO 0.54 0.86 0.42 0.78 -0.67 0.00 0.00 178.83 180.76 3h88 h GLY 46 N 1.25 0.97 0.98 3.46 0.00 -1.93 0.53 103.07 108.31 3h88 h GLY 46 Ca 0.33 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3h88 h GLY 46 CO -0.06 0.28 0.01 3.21 0.00 0.00 0.00 176.54 179.98 3h88 h ARG 47 N 0.84 0.80 0.02 4.80 3.08 -1.75 0.07 114.38 122.24 3h88 h ARG 47 Ca 0.27 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 60.09 3h88 h ARG 47 Cb -0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 3h88 h ARG 47 CO -0.10 0.86 -0.27 0.35 -1.07 0.00 0.00 179.97 179.74 3h88 h PHE 48 N 0.65 -0.73 -0.79 3.04 3.57 -1.00 -2.49 116.94 119.19 3h88 h PHE 48 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3h88 h PHE 48 Cb 0.49 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 3h88 h PHE 48 CO 0.04 -0.37 0.34 1.25 -2.23 0.00 0.00 178.31 177.34 3h88 h LEU 49 N -0.43 1.07 -0.91 0.59 5.85 -0.83 -2.54 115.31 118.12 3h88 h LEU 49 Ca 0.06 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3h88 h LEU 49 Cb 0.50 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3h88 h LEU 49 CO -0.22 0.93 0.59 0.00 -0.34 0.00 0.00 178.44 179.40 3h88 h ALA 50 N 1.18 1.19 -0.32 1.25 0.00 -0.79 0.17 119.26 121.93 3h88 h ALA 50 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3h88 h ALA 50 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3h88 h ALA 50 CO -0.03 0.47 0.15 0.87 0.00 0.00 0.00 179.25 180.72 3h88 h LYS 51 N 1.16 0.47 -0.80 0.00 1.57 -1.25 -0.95 116.57 116.77 3h88 h LYS 51 Ca 0.36 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3h88 h LYS 51 Cb -0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3h88 h LYS 51 CO -0.11 0.44 0.49 0.00 -0.57 0.00 0.00 179.45 179.69 3h88 h ARG 52 N 0.38 1.09 -0.38 3.15 2.47 -1.13 -0.87 114.38 119.09 3h88 h ARG 52 Ca 0.11 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3h88 h ARG 52 Cb 0.13 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 3h88 h ARG 52 CO -0.01 0.76 0.22 0.35 0.56 0.00 0.00 179.97 181.85 3h88 h PHE 53 N 1.10 0.50 -0.46 3.04 3.57 -0.49 -0.27 116.94 123.93 3h88 h PHE 53 Ca 0.29 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 3h88 h PHE 53 Cb -0.04 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3h88 h PHE 53 CO -0.01 0.37 0.10 0.00 -2.23 0.00 0.00 178.31 176.55 3h88 h ALA 54 N 1.09 0.61 -0.44 2.41 0.00 -0.90 -0.51 119.26 121.52 3h88 h ALA 54 Ca 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h88 h ALA 54 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3h88 h ALA 54 CO -0.02 0.31 0.26 0.00 0.00 0.00 0.00 179.25 179.79 3h88 h ALA 55 N 0.97 0.56 -0.42 0.00 0.00 -0.95 0.12 119.26 119.54 3h88 h ALA 55 Ca 0.14 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3h88 h ALA 55 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h88 h ALA 55 CO 0.00 0.05 -0.26 0.87 0.00 0.00 0.00 179.25 179.92 3h88 h LYS 56 N 0.58 0.89 -0.29 0.00 1.57 -0.95 0.17 116.57 118.54 3h88 h LYS 56 Ca 0.16 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3h88 h LYS 56 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3h88 h LYS 56 CO -0.03 1.04 0.12 0.93 -0.57 0.00 0.00 179.45 180.94 3h88 h GLU 57 N 0.76 0.43 -0.79 3.15 5.08 -0.81 -0.86 114.58 121.54 3h88 h GLU 57 Ca 0.09 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3h88 h GLU 57 Cb 0.81 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 3h88 h GLU 57 CO 0.07 0.44 0.44 0.00 -1.00 0.00 0.00 179.01 178.96 3h88 h ALA 58 N 0.97 1.10 -0.56 3.43 0.00 -0.65 -1.53 119.26 122.02 3h88 h ALA 58 Ca 0.10 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3h88 h ALA 58 Cb 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3h88 h ALA 58 CO -0.01 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.32 3h88 h ALA 59 N 1.43 0.95 0.00 0.00 0.00 -0.63 -1.14 119.26 119.88 3h88 h ALA 59 Ca 0.38 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 59 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3h88 h ALA 59 CO -0.24 0.63 -0.42 0.66 0.00 0.00 0.00 179.25 179.88 3h88 h SER 60 N 0.88 0.00 -0.02 0.00 4.64 -0.66 -1.95 113.55 116.45 3h88 h SER 60 Ca 0.16 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.24 3h88 h SER 60 Cb 0.51 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3h88 h SER 60 CO 0.03 0.42 -0.93 0.11 -0.87 0.00 0.00 176.83 175.59 3h88 h LYS 61 N 0.00 0.70 0.00 4.77 1.57 -0.94 -0.57 116.57 122.11 3h88 h LYS 61 Ca -0.00 -0.68 -0.00 0.00 -1.87 0.00 0.00 60.65 58.09 3h88 h LYS 61 Cb 0.86 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 3h88 h LYS 61 CO 0.05 1.27 -0.01 0.00 -0.57 0.00 0.00 179.45 180.20 3h88 h ALA 62 N 0.51 1.51 0.00 3.86 0.00 -0.50 -1.55 119.26 123.09 3h88 h ALA 62 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3h88 h ALA 62 Cb 1.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3h88 h ALA 62 CO 0.18 0.01 -0.01 -0.07 0.00 0.00 0.00 179.25 179.37 3h88 h LEU 63 N 0.00 0.00 0.00 0.00 3.38 -1.33 -3.34 115.31 114.02 3h88 h LEU 63 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h88 h LEU 63 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3h88 h LEU 63 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3h88 n GLY 64 N 1.22 0.76 0.07 0.83 0.00 -0.58 -4.91 105.19 102.57 3h88 n GLY 64 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 3h88 n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h88 n THR 65 N -2.19 0.96 -4.61 2.61 -2.24 -1.13 -5.04 114.28 102.65 3h88 n THR 65 Ca 0.00 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3h88 n THR 65 Cb 0.00 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 3h88 n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h88 n GLY 66 N 2.11 -0.96 3.40 3.38 0.00 -0.23 -4.25 105.19 108.65 3h88 n GLY 66 Ca -0.23 -1.12 -0.45 0.00 0.00 0.00 0.00 46.02 44.23 3h88 n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h88 s ILE 67 N 0.00 4.86 0.00 -0.61 -1.09 -1.26 -4.75 121.20 118.34 3h88 s ILE 67 Ca 0.00 -1.37 0.00 0.00 -2.23 0.00 0.00 60.65 57.05 3h88 s ILE 67 Cb 0.00 -4.61 0.00 0.00 -1.58 0.00 0.00 42.46 36.27 3h88 s ILE 67 CO 0.00 -1.29 0.00 0.00 -1.23 0.00 0.00 174.94 172.42 3h88 n ALA 68 N 6.18 0.00 -2.67 9.38 0.00 -1.02 -4.96 120.51 127.41 3h88 n ALA 68 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 3h88 n ALA 68 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3h88 n ALA 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h88 n GLN 69 N -0.20 -2.88 -0.83 0.00 1.13 -1.26 -0.88 117.38 112.46 3h88 n GLN 69 Ca 0.00 0.85 0.00 0.00 -1.94 0.00 0.00 57.00 55.91 3h88 n GLN 69 Cb 0.00 -5.56 0.00 0.00 0.11 0.00 0.00 30.24 24.79 3h88 n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h88 n GLY 70 N -1.13 1.05 3.68 1.08 0.00 -1.26 -5.01 105.19 103.60 3h88 n GLY 70 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3h88 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h88 s VAL 71 N -3.72 4.87 0.36 1.61 1.01 -0.06 -4.60 120.40 119.87 3h88 s VAL 71 Ca 0.00 1.74 0.09 0.00 0.00 0.00 0.00 61.98 63.80 3h88 s VAL 71 Cb 0.00 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 3h88 s VAL 71 CO 0.00 0.05 -0.03 0.42 0.00 0.00 0.00 175.10 175.54 3h88 s THR 72 N 1.94 2.28 0.47 3.92 -4.23 -1.26 -2.44 115.64 116.32 3h88 s THR 72 Ca 0.41 -2.07 0.15 0.00 -1.18 0.00 0.00 61.69 59.00 3h88 s THR 72 Cb -0.17 -2.79 0.30 0.00 1.34 0.00 0.00 72.50 71.18 3h88 s THR 72 CO 0.15 -0.14 2.06 -0.26 -0.54 0.00 0.00 174.62 175.89 3h88 h PHE 73 N 1.87 0.23 0.00 3.99 -1.00 -1.87 -0.55 116.94 119.61 3h88 h PHE 73 Ca -0.43 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.36 3h88 h PHE 73 Cb 1.25 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.73 3h88 h PHE 73 CO 0.73 0.13 0.00 0.72 -1.61 0.00 0.00 178.31 178.29 3h88 n HIS 74 N -4.48 0.00 1.03 -0.55 8.25 -1.26 -2.55 115.22 115.65 3h88 n HIS 74 Ca 0.04 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 3h88 n HIS 74 Cb 0.23 -0.49 0.58 0.00 1.12 0.00 0.00 29.99 31.43 3h88 n HIS 74 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3h88 n ASP 75 N -1.49 0.00 -4.22 0.41 8.00 -0.21 -4.72 116.55 114.32 3h88 n ASP 75 Ca 0.04 0.15 -0.32 0.00 0.71 0.00 0.00 54.79 55.37 3h88 n ASP 75 Cb 0.18 -0.37 -0.17 0.00 -0.02 0.00 0.00 41.12 40.74 3h88 n ASP 75 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3h88 s PHE 76 N -2.74 2.53 -0.10 1.24 0.40 -1.06 -0.74 117.98 117.52 3h88 s PHE 76 Ca 0.19 -1.03 0.03 0.00 -0.60 0.00 0.00 56.93 55.52 3h88 s PHE 76 Cb 0.16 -1.69 0.01 0.00 0.51 0.00 0.00 43.02 42.01 3h88 s PHE 76 CO 0.40 -0.41 -0.18 0.99 0.70 0.00 0.00 175.22 176.72 3h88 s THR 77 N 0.32 1.67 -0.20 0.64 2.01 -0.09 -4.71 115.64 115.29 3h88 s THR 77 Ca -0.18 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 3h88 s THR 77 Cb -0.18 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 3h88 s THR 77 CO 0.09 0.47 0.09 -0.63 -0.69 0.00 0.00 174.62 173.95 3h88 s ILE 78 N 0.72 5.03 0.14 1.82 1.09 -1.26 -0.54 121.20 128.19 3h88 s ILE 78 Ca -0.12 0.06 0.01 0.00 -1.10 0.00 0.00 60.65 59.50 3h88 s ILE 78 Cb -0.16 -3.29 -0.00 0.00 -1.06 0.00 0.00 42.46 37.95 3h88 s ILE 78 CO 0.02 0.44 0.04 -1.54 -0.10 0.00 0.00 174.94 173.81 3h88 n SER 79 N 3.65 1.15 -4.03 3.58 3.41 -0.32 -4.90 113.62 116.17 3h88 n SER 79 Ca -0.16 -1.71 -0.11 0.00 -0.26 0.00 0.00 58.87 56.63 3h88 n SER 79 Cb 0.52 0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 64.68 3h88 n SER 79 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3h88 s HIS 80 N -2.00 0.47 0.74 7.33 3.76 -1.26 -0.10 115.29 124.23 3h88 s HIS 80 Ca 0.06 -0.54 -0.08 0.00 -0.15 0.00 0.00 55.06 54.35 3h88 s HIS 80 Cb 0.00 -0.30 0.16 0.00 1.11 0.00 0.00 32.58 33.55 3h88 s HIS 80 CO 0.04 -0.15 1.01 -0.40 -0.85 0.00 0.00 174.74 174.40 3h88 n ASP 81 N 1.45 0.55 0.22 1.40 5.68 -0.68 -4.92 116.55 120.26 3h88 n ASP 81 Ca -0.23 -1.66 0.15 0.00 -0.50 0.00 0.00 54.79 52.56 3h88 n ASP 81 Cb 0.55 -0.73 0.58 0.00 -1.14 0.00 0.00 41.12 40.38 3h88 n ASP 81 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3h88 h LYS 82 N 0.00 0.00 -0.01 0.11 2.10 -2.02 -1.87 116.57 114.88 3h88 h LYS 82 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 3h88 h LYS 82 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 3h88 h LYS 82 CO 0.28 0.00 -0.34 1.28 -2.00 0.00 0.00 179.45 178.67 3h88 n LEU 83 N -2.79 1.44 0.00 7.07 4.77 -1.26 -4.96 117.00 121.27 3h88 n LEU 83 Ca 0.02 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3h88 n LEU 83 Cb 0.30 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3h88 n LEU 83 CO 0.25 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3h88 n GLY 84 N 1.37 0.46 3.71 -0.72 0.00 -0.70 -5.08 105.19 104.23 3h88 n GLY 84 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3h88 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h88 s LYS 85 N -0.99 4.24 0.44 1.61 2.20 -1.26 -4.75 119.74 121.23 3h88 s LYS 85 Ca 0.00 2.27 -0.22 0.00 -0.36 0.00 0.00 55.97 57.67 3h88 s LYS 85 Cb 0.00 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 3h88 s LYS 85 CO 0.00 -0.59 1.01 -1.25 -0.36 0.00 0.00 175.35 174.16 3h88 s PRO 86 N 1.44 4.04 -0.01 4.03 0.04 -1.26 -1.68 135.00 141.59 3h88 s PRO 86 Ca 0.69 1.33 0.05 0.00 0.04 0.00 0.00 61.00 63.11 3h88 s PRO 86 Cb -0.41 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 3h88 s PRO 86 CO 0.31 -0.22 -0.15 -0.51 0.04 0.00 0.00 177.00 176.47 3h88 s LEU 87 N -3.13 2.02 -0.16 -3.56 1.43 0.85 -4.59 118.68 111.54 3h88 s LEU 87 Ca 0.63 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3h88 s LEU 87 Cb -0.16 -0.78 -0.00 0.00 0.03 0.00 0.00 46.19 45.27 3h88 s LEU 87 CO 0.20 0.18 -0.14 -0.22 0.23 0.00 0.00 176.35 176.61 3h88 s LEU 88 N -0.34 2.56 -0.11 1.79 2.96 -1.26 -1.17 118.68 123.10 3h88 s LEU 88 Ca 0.06 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3h88 s LEU 88 Cb -0.06 -1.59 -0.00 0.00 0.50 0.00 0.00 46.19 45.04 3h88 s LEU 88 CO -0.01 0.09 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.28 3h88 s ILE 89 N 0.78 2.33 0.19 6.68 -1.09 0.30 -4.94 121.20 125.45 3h88 s ILE 89 Ca -0.05 -0.92 -0.06 0.00 -2.23 0.00 0.00 60.65 57.39 3h88 s ILE 89 Cb -0.15 -1.92 -0.06 0.00 -1.58 0.00 0.00 42.46 38.75 3h88 s ILE 89 CO 0.01 0.55 0.46 -0.76 -1.23 0.00 0.00 174.94 173.96 3h88 s LEU 90 N 0.40 4.21 0.36 2.97 1.43 -1.26 -0.91 118.68 125.88 3h88 s LEU 90 Ca -0.16 0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3h88 s LEU 90 Cb -0.17 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 42.60 3h88 s LEU 90 CO 0.07 -0.02 0.50 -0.94 0.23 0.00 0.00 176.35 176.18 3h88 s SER 91 N -2.52 1.02 0.71 2.29 1.04 0.09 -4.71 113.70 111.61 3h88 s SER 91 Ca 0.43 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.33 3h88 s SER 91 Cb -0.12 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3h88 s SER 91 CO 0.24 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3h88 n GLY 92 N -0.59 1.40 0.29 7.32 0.00 -1.26 -2.31 105.19 110.04 3h88 n GLY 92 Ca 0.01 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.53 3h88 n GLY 92 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3h88 h GLN 93 N 0.00 0.65 -0.88 1.61 5.75 -1.95 -1.92 115.11 118.38 3h88 h GLN 93 Ca 0.00 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.55 3h88 h GLN 93 Cb 0.00 -0.15 -0.06 0.00 1.07 0.00 0.00 27.48 28.34 3h88 h GLN 93 CO 0.00 0.43 0.57 0.00 -2.65 0.00 0.00 178.83 177.18 3h88 h ALA 94 N 1.45 1.62 -0.21 3.38 0.00 -1.84 0.05 119.26 123.71 3h88 h ALA 94 Ca 0.38 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 3h88 h ALA 94 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3h88 h ALA 94 CO -0.27 0.22 -0.47 0.00 0.00 0.00 0.00 179.25 178.72 3h88 h ALA 95 N 1.55 0.78 0.06 0.00 0.00 -0.94 -0.57 119.26 120.15 3h88 h ALA 95 Ca 0.40 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h88 h ALA 95 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h88 h ALA 95 CO -0.16 0.67 -0.03 1.49 0.00 0.00 0.00 179.25 181.21 3h88 h GLU 96 N 0.44 -0.08 -0.88 0.00 4.57 -0.90 0.73 114.58 118.46 3h88 h GLU 96 Ca 0.02 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3h88 h GLU 96 Cb 1.00 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.56 3h88 h GLU 96 CO 0.09 0.09 0.46 -0.07 -1.18 0.00 0.00 179.01 178.40 3h88 h LEU 97 N -0.24 1.12 -0.74 1.64 4.07 -0.88 -1.18 115.31 119.09 3h88 h LEU 97 Ca -0.01 -0.11 -0.03 0.00 0.08 0.00 0.00 57.88 57.81 3h88 h LEU 97 Cb 0.21 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 3h88 h LEU 97 CO 0.01 0.91 0.34 0.00 -1.08 0.00 0.00 178.44 178.62 3h88 h ALA 98 N 1.27 0.96 -0.52 1.53 0.00 -0.97 -0.22 119.26 121.30 3h88 h ALA 98 Ca 0.31 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3h88 h ALA 98 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3h88 h ALA 98 CO -0.05 0.54 -0.10 0.77 0.00 0.00 0.00 179.25 180.42 3h88 h SER 99 N 1.05 0.96 -0.60 0.00 0.02 -0.38 -0.99 113.55 113.61 3h88 h SER 99 Ca 0.25 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3h88 h SER 99 Cb 0.15 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3h88 h SER 99 CO -0.03 1.07 0.29 1.56 -1.14 0.00 0.00 176.83 178.58 3h88 h GLN 100 N 0.86 0.87 0.00 3.45 4.20 -1.01 -1.99 115.11 121.49 3h88 h GLN 100 Ca 0.14 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3h88 h GLN 100 Cb 0.64 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3h88 h GLN 100 CO 0.04 0.70 0.00 1.28 -0.67 0.00 0.00 178.83 180.18 3h88 n LEU 101 N -4.52 0.00 -2.37 1.46 4.32 -0.11 -4.90 117.00 110.87 3h88 n LEU 101 Ca 0.04 0.28 -0.19 0.00 -0.02 0.00 0.00 56.01 56.12 3h88 n LEU 101 Cb 0.12 -0.28 0.01 0.00 -1.62 0.00 0.00 43.42 41.65 3h88 n LEU 101 CO 0.38 -0.10 -0.11 0.00 -1.22 0.00 0.00 177.39 176.34 3h88 n GLN 102 N -1.28 -2.94 -1.68 3.23 6.02 -0.72 -4.87 117.38 115.15 3h88 n GLN 102 Ca 0.09 0.83 -0.44 0.00 -0.01 0.00 0.00 57.00 57.48 3h88 n GLN 102 Cb 0.16 -5.40 -0.03 0.00 1.02 0.00 0.00 30.24 25.99 3h88 n GLN 102 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h88 n VAL 103 N -4.20 0.50 0.03 5.09 0.31 -0.46 -4.37 118.33 115.24 3h88 n VAL 103 Ca -0.15 -0.09 0.01 0.00 -0.01 0.00 0.00 64.34 64.09 3h88 n VAL 103 Cb 0.63 -2.09 -0.01 0.00 -0.91 0.00 0.00 33.84 31.46 3h88 n VAL 103 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3h88 n GLU 104 N 6.24 2.99 -4.50 5.55 0.28 0.37 -4.84 120.64 126.71 3h88 n GLU 104 Ca 0.19 -0.01 -0.23 0.00 -0.16 0.00 0.00 57.16 56.95 3h88 n GLU 104 Cb 0.36 -0.83 -0.16 0.00 1.43 0.00 0.00 31.44 32.24 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3h88 s ASN 105 N -1.71 1.57 -0.13 -1.84 -0.87 -0.35 -5.02 114.94 106.59 3h88 s ASN 105 Ca -0.00 -0.26 0.01 0.00 -1.57 0.00 0.00 52.86 51.05 3h88 s ASN 105 Cb 0.01 -0.67 0.02 0.00 -0.02 0.00 0.00 41.25 40.59 3h88 s ASN 105 CO 0.07 0.03 -0.16 -0.63 -2.57 0.00 0.00 177.10 173.83 3h88 s ILE 106 N 0.59 1.67 -0.04 0.60 1.01 -1.26 -0.49 121.20 123.29 3h88 s ILE 106 Ca -0.12 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 59.88 3h88 s ILE 106 Cb -0.14 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 3h88 s ILE 106 CO 0.03 0.48 -0.25 -1.00 0.00 0.00 0.00 174.94 174.19 3h88 s HIS 107 N 1.15 2.33 -0.01 3.97 3.76 0.08 -4.81 115.29 121.76 3h88 s HIS 107 Ca -0.02 -0.55 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 3h88 s HIS 107 Cb -0.14 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 32.04 3h88 s HIS 107 CO -0.06 -0.12 -0.02 -1.17 -0.85 0.00 0.00 174.74 172.53 3h88 s LEU 108 N -0.40 1.87 0.03 0.89 2.96 -1.26 -1.45 118.68 121.32 3h88 s LEU 108 Ca 0.04 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3h88 s LEU 108 Cb -0.11 -0.13 -0.02 0.00 0.50 0.00 0.00 46.19 46.43 3h88 s LEU 108 CO 0.01 0.01 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.43 3h88 s SER 109 N 0.12 0.77 0.03 3.68 0.15 -0.52 -4.67 113.70 113.26 3h88 s SER 109 Ca -0.01 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.27 3h88 s SER 109 Cb -0.03 0.00 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 3h88 s SER 109 CO -0.00 -0.12 -0.12 -0.63 1.20 0.00 0.00 173.24 173.57 3h88 s ILE 110 N -0.99 0.93 -0.00 6.45 1.01 -1.26 -1.69 121.20 125.64 3h88 s ILE 110 Ca -0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 3h88 s ILE 110 Cb -0.07 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.55 3h88 s ILE 110 CO 0.00 0.01 0.10 -0.55 0.00 0.00 0.00 174.94 174.49 3h88 s SER 111 N -0.95 0.04 0.03 3.58 0.15 -1.26 -5.02 113.70 110.28 3h88 s SER 111 Ca 0.01 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.48 3h88 s SER 111 Cb -0.07 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.40 3h88 s SER 111 CO 0.01 -0.28 -0.04 1.51 1.20 0.00 0.00 173.24 175.63 3h88 s ASP 112 N -1.09 0.44 0.00 5.45 -4.77 -1.26 -4.44 116.67 111.00 3h88 s ASP 112 Ca -0.12 -0.62 0.00 0.00 -3.30 0.00 0.00 52.55 48.51 3h88 s ASP 112 Cb -0.07 0.10 0.00 0.00 -1.09 0.00 0.00 42.92 41.87 3h88 s ASP 112 CO 0.01 -0.34 0.00 -0.62 0.70 0.00 0.00 175.17 174.92 3h88 n GLU 113 N 1.24 3.70 -0.15 2.11 -0.58 0.28 -5.01 120.64 122.23 3h88 n GLU 113 Ca -0.21 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.45 3h88 n GLU 113 Cb 0.56 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.44 3h88 n GLU 113 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3h88 h ARG 114 N 0.00 0.62 0.00 3.49 2.43 -2.03 -3.32 114.38 115.56 3h88 h ARG 114 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3h88 h ARG 114 Cb 0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3h88 h ARG 114 CO 0.00 0.45 -1.38 0.72 -1.51 0.00 0.00 179.97 178.25 3h88 n HIS 115 N -4.73 0.00 -4.30 2.20 8.25 -1.26 -4.92 115.22 110.47 3h88 n HIS 115 Ca 0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.29 3h88 n HIS 115 Cb 0.05 -0.23 -0.13 0.00 1.12 0.00 0.00 29.99 30.79 3h88 n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3h88 s TYR 116 N -2.75 1.06 0.50 4.41 1.51 -1.25 -1.33 117.35 119.51 3h88 s TYR 116 Ca -0.03 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3h88 s TYR 116 Cb 0.09 -0.63 -0.01 0.00 -0.11 0.00 0.00 41.96 41.29 3h88 s TYR 116 CO 0.53 0.01 0.14 0.00 -1.11 0.00 0.00 175.55 175.12 3h88 s ALA 117 N -0.83 4.08 -0.28 3.71 0.00 -0.35 -0.56 121.76 127.53 3h88 s ALA 117 Ca 0.00 -0.96 -0.32 0.00 0.00 0.00 0.00 51.96 50.68 3h88 s ALA 117 Cb -0.07 -0.23 0.18 0.00 0.00 0.00 0.00 23.12 23.00 3h88 s ALA 117 CO 0.01 -0.17 1.35 0.00 0.00 0.00 0.00 175.76 176.96 3h88 s ALA 119 N -2.80 -2.14 0.03 0.00 0.00 -0.37 -0.72 121.76 115.76 3h88 s ALA 119 Ca 0.20 1.88 0.03 0.00 0.00 0.00 0.00 51.96 54.07 3h88 s ALA 119 Cb 0.01 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 3h88 s ALA 119 CO 0.11 -0.34 -0.10 0.99 0.00 0.00 0.00 175.76 176.43 3h88 s THR 120 N -1.35 0.77 -0.01 0.00 2.01 -0.68 -1.28 115.64 115.10 3h88 s THR 120 Ca 0.10 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.25 3h88 s THR 120 Cb -0.01 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.77 3h88 s THR 120 CO -0.06 -0.10 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.01 3h88 s VAL 121 N -0.87 0.56 -0.06 3.82 1.01 -0.32 -1.44 120.40 123.10 3h88 s VAL 121 Ca -0.02 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.74 3h88 s VAL 121 Cb -0.07 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.81 3h88 s VAL 121 CO 0.01 0.17 -0.20 -0.63 0.00 0.00 0.00 175.10 174.45 3h88 s ILE 122 N 0.07 1.64 -0.15 2.22 1.01 -0.53 -1.18 121.20 124.29 3h88 s ILE 122 Ca -0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 3h88 s ILE 122 Cb -0.05 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 3h88 s ILE 122 CO -0.00 0.47 0.00 -0.76 0.00 0.00 0.00 174.94 174.65 3h88 s LEU 123 N 0.07 3.50 0.01 2.97 1.43 -0.77 -0.74 118.68 125.15 3h88 s LEU 123 Ca -0.06 0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 3h88 s LEU 123 Cb -0.13 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 3h88 s LEU 123 CO 0.03 0.22 -0.15 -0.70 0.23 0.00 0.00 176.35 175.99 3h88 s GLU 124 N 0.05 1.13 0.00 1.70 2.12 0.36 -0.37 118.70 123.69 3h88 s GLU 124 Ca 0.02 -0.64 0.06 0.00 0.36 0.00 0.00 54.97 54.77 3h88 s GLU 124 Cb -0.13 -1.12 0.05 0.00 0.26 0.00 0.00 34.13 33.19 3h88 s GLU 124 CO 0.02 0.30 0.70 2.89 -0.54 0.00 0.00 175.26 178.63