#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h88 n VAL 3 N 0.00 0.23 -3.50 1.39 0.24 -0.14 -4.95 118.33 111.61 3h88 n VAL 3 Ca 0.00 -0.52 -0.12 0.00 -2.04 0.00 0.00 64.34 61.66 3h88 n VAL 3 Cb 0.00 -0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.21 3h88 n VAL 3 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h88 s GLY 4 N -4.49 -0.50 -0.02 7.63 0.00 -1.16 -4.98 107.32 103.81 3h88 s GLY 4 Ca -0.06 1.14 0.02 0.00 0.00 0.00 0.00 44.72 45.82 3h88 s GLY 4 CO 0.87 0.57 -0.05 -2.27 0.00 0.00 0.00 173.10 172.22 3h88 s LEU 5 N -1.97 1.69 0.00 0.66 2.96 -1.26 -1.52 118.68 119.24 3h88 s LEU 5 Ca -0.01 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 3h88 s LEU 5 Cb -0.01 -0.37 -0.00 0.00 0.50 0.00 0.00 46.19 46.31 3h88 s LEU 5 CO -0.03 0.02 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.17 3h88 s GLY 6 N 0.34 0.06 0.04 7.98 0.00 0.08 -3.87 107.32 111.95 3h88 s GLY 6 Ca -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.61 3h88 s GLY 6 CO -0.00 -0.08 -0.06 -1.08 0.00 0.00 0.00 173.10 171.88 3h88 s THR 7 N -0.14 0.36 -0.08 0.90 -1.32 -1.26 0.17 115.64 114.28 3h88 s THR 7 Ca -0.01 -1.09 -0.12 0.00 -1.21 0.00 0.00 61.69 59.26 3h88 s THR 7 Cb -0.01 -0.57 0.03 0.00 -1.51 0.00 0.00 72.50 70.43 3h88 s THR 7 CO -0.00 -0.48 0.30 -0.62 -2.21 0.00 0.00 174.62 171.61 3h88 s ASP 8 N -1.68 -0.26 -0.03 8.08 2.15 -0.62 -4.60 116.67 119.72 3h88 s ASP 8 Ca -0.10 0.41 0.08 0.00 0.43 0.00 0.00 52.55 53.36 3h88 s ASP 8 Cb -0.08 0.51 -0.02 0.00 -0.30 0.00 0.00 42.92 43.03 3h88 s ASP 8 CO -0.01 -0.23 -0.26 -0.51 -0.17 0.00 0.00 175.17 173.99 3h88 s ILE 9 N -0.41 2.03 -0.05 4.11 2.07 -1.26 -1.72 121.20 125.97 3h88 s ILE 9 Ca -0.05 -1.09 0.03 0.00 -1.41 0.00 0.00 60.65 58.12 3h88 s ILE 9 Cb -0.03 -1.69 0.01 0.00 0.13 0.00 0.00 42.46 40.87 3h88 s ILE 9 CO 0.02 0.57 -0.13 0.00 -1.91 0.00 0.00 174.94 173.49 3h88 s ALA 10 N -0.51 1.23 -0.35 1.50 0.00 0.69 -4.99 121.76 119.34 3h88 s ALA 10 Ca 0.07 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 3h88 s ALA 10 Cb -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.52 3h88 s ALA 10 CO -0.00 0.15 1.11 -2.00 0.00 0.00 0.00 175.76 175.02 3h88 s GLU 11 N 0.46 3.98 0.21 0.00 2.12 -1.26 -0.96 118.70 123.26 3h88 s GLU 11 Ca -0.10 0.99 -0.08 0.00 0.36 0.00 0.00 54.97 56.13 3h88 s GLU 11 Cb -0.14 -3.79 0.16 0.00 0.26 0.00 0.00 34.13 30.63 3h88 s GLU 11 CO 0.03 -1.02 1.80 0.82 -0.54 0.00 0.00 175.26 176.35 3h88 h ILE 12 N 5.86 1.25 -0.34 -3.70 2.04 -1.49 -2.47 117.51 118.65 3h88 h ILE 12 Ca -0.21 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 64.94 3h88 h ILE 12 Cb 1.06 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3h88 h ILE 12 CO 1.05 0.31 0.23 -0.08 0.00 0.00 0.00 178.15 179.66 3h88 h GLU 13 N 1.14 0.42 -0.55 2.37 4.81 -1.92 -0.60 114.58 120.24 3h88 h GLU 13 Ca 0.28 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 3h88 h GLU 13 Cb 0.13 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3h88 h GLU 13 CO -0.03 0.27 -0.06 0.00 -0.73 0.00 0.00 179.01 178.46 3h88 h ARG 14 N 0.43 1.01 -0.53 1.92 3.08 -1.83 0.19 114.38 118.65 3h88 h ARG 14 Ca 0.13 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 3h88 h ARG 14 Cb 0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3h88 h ARG 14 CO -0.03 1.02 0.13 0.28 -1.07 0.00 0.00 179.97 180.31 3h88 h VAL 15 N 0.91 1.24 -0.67 2.04 2.07 -1.29 -1.20 116.25 119.35 3h88 h VAL 15 Ca 0.15 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3h88 h VAL 15 Cb 0.61 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3h88 h VAL 15 CO 0.04 0.31 0.39 -0.33 0.02 0.00 0.00 177.57 178.01 3h88 h GLU 16 N 0.74 0.91 -0.73 1.57 5.08 -0.76 -1.32 114.58 120.08 3h88 h GLU 16 Ca 0.17 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3h88 h GLU 16 Cb 0.34 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3h88 h GLU 16 CO 0.00 0.66 0.27 0.87 -1.00 0.00 0.00 179.01 179.82 3h88 h LYS 17 N 0.91 1.09 -0.80 2.33 1.57 -0.83 -1.07 116.57 119.77 3h88 h LYS 17 Ca 0.24 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3h88 h LYS 17 Cb -0.01 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 3h88 h LYS 17 CO -0.04 0.90 0.35 0.00 -0.57 0.00 0.00 179.45 180.09 3h88 h ALA 18 N 1.23 1.11 -0.43 3.86 0.00 -0.83 -2.29 119.26 121.92 3h88 h ALA 18 Ca 0.24 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3h88 h ALA 18 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h88 h ALA 18 CO -0.02 0.65 -0.28 -0.07 0.00 0.00 0.00 179.25 179.53 3h88 h LEU 19 N 1.15 0.96 -1.63 0.00 3.38 -0.80 0.16 115.31 118.53 3h88 h LEU 19 Ca 0.27 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3h88 h LEU 19 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3h88 h LEU 19 CO -0.03 1.17 -0.20 0.00 0.09 0.00 0.00 178.44 179.47 3h88 h ALA 20 N 0.89 1.55 0.06 1.53 0.00 -0.93 0.70 119.26 123.06 3h88 h ALA 20 Ca 0.09 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 3h88 h ALA 20 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3h88 h ALA 20 CO 0.08 0.26 -1.17 0.00 0.00 0.00 0.00 179.25 178.42 3h88 h ARG 21 N 0.00 0.13 0.00 0.00 3.08 -1.21 -3.44 114.38 112.94 3h88 h ARG 21 Ca -0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3h88 h ARG 21 Cb 0.39 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3h88 h ARG 21 CO 0.03 1.11 -0.22 0.43 -1.07 0.00 0.00 179.97 180.24 3h88 n SER 22 N -4.17 1.09 0.00 7.04 7.64 0.03 -5.06 113.62 120.18 3h88 n SER 22 Ca -0.25 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.24 3h88 n SER 22 Cb 0.77 1.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.98 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 1.33 3.36 0.37 0.23 0.00 0.23 -1.44 105.19 109.28 3h88 n GLY 23 Ca 0.00 0.01 0.13 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 0.56 -0.69 1.61 4.57 -1.96 -0.28 114.58 118.40 3h88 h GLU 24 Ca 0.00 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 3h88 h GLU 24 Cb 0.00 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 3h88 h GLU 24 CO 0.00 0.37 0.25 -0.91 -1.18 0.00 0.00 179.01 177.54 3h88 h ASN 25 N 0.57 0.95 0.05 1.04 2.35 -1.67 0.25 115.58 119.12 3h88 h ASN 25 Ca 0.40 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3h88 h ASN 25 Cb 0.72 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3h88 h ASN 25 CO -0.15 0.86 -0.02 0.15 -1.65 0.00 0.00 177.43 176.61 3h88 h PHE 26 N 1.00 -0.06 -0.81 1.19 3.57 -1.12 -3.13 116.94 117.58 3h88 h PHE 26 Ca 0.23 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.78 3h88 h PHE 26 Cb 0.23 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 3h88 h PHE 26 CO 0.02 0.40 0.50 0.00 -2.23 0.00 0.00 178.31 177.00 3h88 h ALA 27 N 0.35 1.09 0.00 2.41 0.00 -0.85 -1.99 119.26 120.26 3h88 h ALA 27 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3h88 h ALA 27 Cb 0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3h88 h ALA 27 CO 0.01 0.26 -0.51 -0.09 0.00 0.00 0.00 179.25 178.92 3h88 h ARG 28 N 0.94 0.00 -0.53 0.00 9.65 -0.64 -1.13 114.38 122.67 3h88 h ARG 28 Ca 0.34 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 59.13 3h88 h ARG 28 Cb 0.11 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 3h88 h ARG 28 CO -0.15 0.51 -0.05 -0.09 2.80 0.00 0.00 179.97 182.99 3h88 h ARG 29 N 0.00 0.96 0.15 0.20 9.65 -1.30 -3.33 114.38 120.71 3h88 h ARG 29 Ca -0.01 -0.33 -0.33 0.00 -1.10 0.00 0.00 59.98 58.22 3h88 h ARG 29 Cb 0.97 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 3h88 h ARG 29 CO 0.07 1.00 -1.62 0.82 2.80 0.00 0.00 179.97 183.03 3h88 h ILE 30 N 0.83 1.06 -2.89 1.20 1.08 -1.28 -3.42 117.51 114.10 3h88 h ILE 30 Ca 0.14 -2.67 -0.67 0.00 -0.39 0.00 0.00 64.86 61.27 3h88 h ILE 30 Cb 0.60 2.77 -0.10 0.00 -3.07 0.00 0.00 36.82 37.02 3h88 h ILE 30 CO 0.04 0.83 -0.52 -0.76 -0.69 0.00 0.00 178.15 177.04 3h88 s LEU 31 N -7.12 4.14 0.94 1.44 1.43 -0.48 -4.50 118.68 114.53 3h88 s LEU 31 Ca -0.12 0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 3h88 s LEU 31 Cb 0.06 -2.00 0.16 0.00 0.03 0.00 0.00 46.19 44.44 3h88 s LEU 31 CO 0.86 0.38 1.09 0.42 0.23 0.00 0.00 176.35 179.32 3h88 s THR 32 N -0.84 2.46 0.45 5.49 -4.23 -1.26 -4.66 115.64 113.05 3h88 s THR 32 Ca 0.13 0.15 0.19 0.00 -1.18 0.00 0.00 61.69 60.98 3h88 s THR 32 Cb -0.12 -2.56 0.22 0.00 1.34 0.00 0.00 72.50 71.39 3h88 s THR 32 CO 0.03 -0.20 2.03 0.44 -0.54 0.00 0.00 174.62 176.38 3h88 h ASP 33 N -1.74 0.00 -0.15 3.99 3.32 -1.99 0.36 116.42 120.21 3h88 h ASP 33 Ca -0.51 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.36 3h88 h ASP 33 Cb 1.29 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.85 3h88 h ASP 33 CO 0.54 0.15 -0.60 -1.28 -1.72 0.00 0.00 179.24 176.33 3h88 h SER 34 N 0.00 0.79 0.32 6.45 0.87 -2.03 -2.89 113.55 117.07 3h88 h SER 34 Ca -0.00 -0.62 -0.06 0.00 -1.23 0.00 0.00 61.79 59.88 3h88 h SER 34 Cb 0.30 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3h88 h SER 34 CO 0.02 1.28 -0.28 -0.33 -0.53 0.00 0.00 176.83 176.99 3h88 h GLU 35 N 0.36 0.00 -0.28 2.24 5.08 -1.59 -3.10 114.58 117.27 3h88 h GLU 35 Ca -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3h88 h GLU 35 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3h88 h GLU 35 CO 0.13 0.28 0.05 -0.07 -1.00 0.00 0.00 179.01 178.40 3h88 h LEU 36 N 0.00 0.38 -0.52 1.33 3.38 -0.76 -0.85 115.31 118.26 3h88 h LEU 36 Ca -0.00 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3h88 h LEU 36 Cb 0.51 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3h88 h LEU 36 CO 0.04 0.40 0.31 -0.33 0.09 0.00 0.00 178.44 178.95 3h88 h GLU 37 N 0.41 0.61 0.01 1.13 5.08 -1.49 0.30 114.58 120.63 3h88 h GLU 37 Ca 0.10 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.20 3h88 h GLU 37 Cb 0.19 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3h88 h GLU 37 CO -0.00 0.40 -0.95 1.96 -1.00 0.00 0.00 179.01 179.42 3h88 h GLN 38 N 0.63 0.37 -0.38 2.33 4.20 -1.51 -2.95 115.11 117.80 3h88 h GLN 38 Ca 0.21 -0.41 0.08 0.00 0.06 0.00 0.00 58.65 58.59 3h88 h GLN 38 Cb 0.01 0.12 -0.08 0.00 0.30 0.00 0.00 27.48 27.83 3h88 h GLN 38 CO -0.09 1.09 -0.15 0.35 -0.67 0.00 0.00 178.83 179.36 3h88 h PHE 39 N 0.20 -0.35 0.00 2.96 3.57 -0.88 -2.38 116.94 120.06 3h88 h PHE 39 Ca -0.08 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 3h88 h PHE 39 Cb 1.59 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.54 3h88 h PHE 39 CO 0.06 -0.23 -0.15 0.45 -2.23 0.00 0.00 178.31 176.21 3h88 h HIS 40 N -0.07 0.00 0.00 0.41 3.86 -0.94 -0.81 115.15 117.60 3h88 h HIS 40 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3h88 h HIS 40 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 3h88 h HIS 40 CO -0.39 0.15 0.00 0.00 0.86 0.00 0.00 177.93 178.55 3h88 h ALA 41 N 1.85 1.00 -2.84 2.45 0.00 -1.30 -3.46 119.26 116.96 3h88 h ALA 41 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3h88 h ALA 41 Cb 0.35 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.21 3h88 h ALA 41 CO 0.02 0.00 0.59 0.45 0.00 0.00 0.00 179.25 180.31 3h88 s SER 42 N -5.92 6.60 0.00 0.00 0.15 -0.31 -4.94 113.70 109.28 3h88 s SER 42 Ca 0.07 2.57 0.24 0.00 0.70 0.00 0.00 55.95 59.53 3h88 s SER 42 Cb 0.06 -2.64 0.62 0.00 -1.71 0.00 0.00 66.02 62.36 3h88 s SER 42 CO 0.64 -0.64 1.50 0.29 1.20 0.00 0.00 173.24 176.23 3h88 n LYS 43 N 0.45 2.03 -3.22 5.44 5.02 -1.26 -4.48 118.16 122.14 3h88 n LYS 43 Ca 0.02 -1.53 -0.24 0.00 -2.02 0.00 0.00 58.31 54.54 3h88 n LYS 43 Cb 0.44 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3h88 n LYS 43 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3h88 n GLN 44 N 0.79 1.18 0.05 1.97 1.13 -1.26 -4.99 117.38 116.24 3h88 n GLN 44 Ca 0.17 -3.57 -0.01 0.00 -1.94 0.00 0.00 57.00 51.65 3h88 n GLN 44 Cb 0.46 -1.51 0.29 0.00 0.11 0.00 0.00 30.24 29.58 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3h88 h GLN 45 N 3.84 0.40 -0.38 -1.09 4.20 -1.89 -1.15 115.11 119.04 3h88 h GLN 45 Ca 0.10 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3h88 h GLN 45 Cb 0.84 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 3h88 h GLN 45 CO 0.55 0.55 -0.24 0.78 -0.67 0.00 0.00 178.83 179.80 3h88 h GLY 46 N 0.90 0.84 0.97 3.46 0.00 -1.94 0.18 103.07 107.49 3h88 h GLY 46 Ca 0.07 -0.74 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 3h88 h GLY 46 CO 0.03 0.67 -0.29 3.21 0.00 0.00 0.00 176.54 180.16 3h88 h ARG 47 N 0.67 0.70 -0.13 4.80 3.08 -1.77 -0.44 114.38 121.29 3h88 h ARG 47 Ca 0.09 -0.37 0.04 0.00 0.07 0.00 0.00 59.98 59.81 3h88 h ARG 47 Cb 0.76 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.78 3h88 h ARG 47 CO 0.06 0.98 -0.17 0.35 -1.07 0.00 0.00 179.97 180.13 3h88 h PHE 48 N 0.44 -0.43 -0.23 3.04 3.57 -1.08 -2.22 116.94 120.03 3h88 h PHE 48 Ca 0.04 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 3h88 h PHE 48 Cb 0.86 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3h88 h PHE 48 CO 0.07 -0.24 -0.33 1.25 -2.23 0.00 0.00 178.31 176.83 3h88 h LEU 49 N -0.21 0.49 -0.77 0.59 5.85 -0.89 -2.80 115.31 117.58 3h88 h LEU 49 Ca 0.10 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 3h88 h LEU 49 Cb 0.35 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3h88 h LEU 49 CO -0.25 0.80 0.18 0.00 -0.34 0.00 0.00 178.44 178.82 3h88 h ALA 50 N 1.24 0.99 -0.69 1.25 0.00 -0.77 0.10 119.26 121.38 3h88 h ALA 50 Ca 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3h88 h ALA 50 Cb 0.78 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3h88 h ALA 50 CO 0.06 0.66 0.27 0.87 0.00 0.00 0.00 179.25 181.11 3h88 h LYS 51 N 1.06 1.03 -0.37 0.00 1.57 -1.24 -0.66 116.57 117.96 3h88 h LYS 51 Ca 0.22 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3h88 h LYS 51 Cb 0.35 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3h88 h LYS 51 CO 0.00 0.86 -0.41 0.00 -0.57 0.00 0.00 179.45 179.33 3h88 h ARG 52 N 0.98 0.92 -0.35 3.15 2.47 -1.21 -0.41 114.38 119.93 3h88 h ARG 52 Ca 0.23 -0.50 -0.02 0.00 -1.26 0.00 0.00 59.98 58.44 3h88 h ARG 52 Cb 0.21 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 3h88 h ARG 52 CO -0.02 1.15 0.15 0.35 0.56 0.00 0.00 179.97 182.16 3h88 h PHE 53 N 0.75 0.52 -0.79 3.04 3.57 -0.67 -0.44 116.94 122.91 3h88 h PHE 53 Ca 0.06 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3h88 h PHE 53 Cb 1.00 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 3h88 h PHE 53 CO 0.06 0.47 0.36 0.00 -2.23 0.00 0.00 178.31 176.97 3h88 h ALA 54 N 0.99 1.03 -0.51 2.41 0.00 -0.94 -0.82 119.26 121.42 3h88 h ALA 54 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3h88 h ALA 54 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3h88 h ALA 54 CO -0.01 0.62 0.21 0.00 0.00 0.00 0.00 179.25 180.07 3h88 h ALA 55 N 1.19 0.66 -0.26 0.00 0.00 -0.74 -0.73 119.26 119.37 3h88 h ALA 55 Ca 0.27 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3h88 h ALA 55 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3h88 h ALA 55 CO -0.03 0.25 -0.42 0.87 0.00 0.00 0.00 179.25 179.93 3h88 h LYS 56 N 0.68 0.63 -0.42 0.00 1.57 -0.96 0.66 116.57 118.72 3h88 h LYS 56 Ca 0.17 -0.33 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 3h88 h LYS 56 Cb 0.17 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3h88 h LYS 56 CO -0.02 0.93 -0.27 0.93 -0.57 0.00 0.00 179.45 180.45 3h88 h GLU 57 N 0.51 0.89 -0.63 3.15 5.08 -0.93 0.57 114.58 123.22 3h88 h GLU 57 Ca 0.04 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3h88 h GLU 57 Cb 0.94 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 3h88 h GLU 57 CO 0.08 1.05 0.26 0.00 -1.00 0.00 0.00 179.01 179.40 3h88 h ALA 58 N 0.93 0.81 -0.35 3.43 0.00 -0.88 -1.09 119.26 122.10 3h88 h ALA 58 Ca 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3h88 h ALA 58 Cb 0.83 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3h88 h ALA 58 CO 0.07 0.42 0.09 0.00 0.00 0.00 0.00 179.25 179.84 3h88 h ALA 59 N 1.10 0.47 -0.59 0.00 0.00 -0.50 -0.41 119.26 119.33 3h88 h ALA 59 Ca 0.21 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3h88 h ALA 59 Cb 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3h88 h ALA 59 CO -0.02 0.13 0.39 0.66 0.00 0.00 0.00 179.25 180.41 3h88 h SER 60 N 0.42 0.45 0.66 0.00 4.64 -0.69 -0.23 113.55 118.80 3h88 h SER 60 Ca 0.11 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.25 3h88 h SER 60 Cb 0.29 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3h88 h SER 60 CO -0.00 0.28 -0.85 0.11 -0.87 0.00 0.00 176.83 175.50 3h88 h LYS 61 N 0.50 0.13 -0.31 4.77 1.57 -0.64 -2.01 116.57 120.58 3h88 h LYS 61 Ca 0.26 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 3h88 h LYS 61 Cb 0.38 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3h88 h LYS 61 CO -0.08 0.90 -0.22 0.00 -0.57 0.00 0.00 179.45 179.48 3h88 h ALA 62 N 1.05 1.02 0.00 3.86 0.00 0.28 -1.95 119.26 123.52 3h88 h ALA 62 Ca -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3h88 h ALA 62 Cb 1.48 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3h88 h ALA 62 CO 0.12 0.58 -0.07 -0.07 0.00 0.00 0.00 179.25 179.82 3h88 h LEU 63 N 0.53 0.00 0.00 0.00 3.38 -1.02 -3.35 115.31 114.84 3h88 h LEU 63 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3h88 h LEU 63 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3h88 h LEU 63 CO 0.05 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3h88 n GLY 64 N -1.07 0.75 0.07 0.83 0.00 -0.73 -4.96 105.19 100.08 3h88 n GLY 64 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.13 0.93 -3.31 2.61 -2.24 -0.99 -5.01 114.28 104.13 3h88 n THR 65 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3h88 n THR 65 Cb 0.00 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 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 2.46 -2.13 3.46 3.38 0.00 -0.79 -4.25 105.19 107.32 3h88 n GLY 66 Ca -0.26 -1.46 -0.44 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.15 5.00 0.24 -0.61 -1.09 -1.26 -4.84 121.20 118.48 3h88 s ILE 67 Ca 0.00 -2.54 -0.16 0.00 -2.23 0.00 0.00 60.65 55.73 3h88 s ILE 67 Cb 0.00 -4.90 0.01 0.00 -1.58 0.00 0.00 42.46 35.99 3h88 s ILE 67 CO 0.00 -1.61 0.55 0.00 -1.23 0.00 0.00 174.94 172.64 3h88 s ALA 68 N 1.70 -0.64 -1.35 9.38 0.00 -1.19 -4.93 121.76 124.72 3h88 s ALA 68 Ca 0.42 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.72 3h88 s ALA 68 Cb -0.03 0.96 0.04 0.00 0.00 0.00 0.00 23.12 24.09 3h88 s ALA 68 CO -0.01 -0.89 0.46 1.04 0.00 0.00 0.00 175.76 176.36 3h88 n GLN 69 N -0.39 -3.70 -0.09 0.00 1.13 -1.26 -0.26 117.38 112.81 3h88 n GLN 69 Ca -0.04 0.63 0.00 0.00 -1.94 0.00 0.00 57.00 55.65 3h88 n GLN 69 Cb 0.61 -5.38 0.00 0.00 0.11 0.00 0.00 30.24 25.59 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 -1.24 0.81 3.70 1.08 0.00 -1.26 -5.03 105.19 103.25 3h88 n GLY 70 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.38 4.63 0.32 1.61 1.01 0.64 -4.48 120.40 121.75 3h88 s VAL 71 Ca 0.00 1.89 0.08 0.00 0.00 0.00 0.00 61.98 63.95 3h88 s VAL 71 Cb 0.00 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3h88 s VAL 71 CO 0.00 0.09 -0.06 0.42 0.00 0.00 0.00 175.10 175.55 3h88 s THR 72 N 1.45 1.90 0.52 3.92 -4.23 -1.26 -3.20 115.64 114.73 3h88 s THR 72 Ca 0.53 -2.14 0.29 0.00 -1.18 0.00 0.00 61.69 59.19 3h88 s THR 72 Cb -0.22 -2.61 0.33 0.00 1.34 0.00 0.00 72.50 71.33 3h88 s THR 72 CO 0.25 -0.21 2.18 -0.26 -0.54 0.00 0.00 174.62 176.04 3h88 h PHE 73 N 2.11 0.00 0.00 3.99 -1.00 -1.88 0.20 116.94 120.35 3h88 h PHE 73 Ca -0.41 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.37 3h88 h PHE 73 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 3h88 h PHE 73 CO 0.71 0.05 0.00 0.72 -1.61 0.00 0.00 178.31 178.19 3h88 n HIS 74 N -3.77 0.00 0.43 -0.55 8.25 -1.26 -2.67 115.22 115.65 3h88 n HIS 74 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 3h88 n HIS 74 Cb 0.15 -0.35 0.40 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.35 0.36 -4.18 0.41 8.00 0.69 -4.73 116.55 115.75 3h88 n ASP 75 Ca 0.11 0.59 -0.32 0.00 0.71 0.00 0.00 54.79 55.88 3h88 n ASP 75 Cb 0.24 -0.67 -0.17 0.00 -0.02 0.00 0.00 41.12 40.51 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 -3.18 2.63 -0.09 1.24 0.40 -1.09 -0.32 117.98 117.57 3h88 s PHE 76 Ca 0.05 -1.26 0.03 0.00 -0.60 0.00 0.00 56.93 55.15 3h88 s PHE 76 Cb 0.09 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.84 3h88 s PHE 76 CO 0.32 -0.56 -0.20 0.99 0.70 0.00 0.00 175.22 176.47 3h88 s THR 77 N 0.68 1.78 -0.17 0.64 2.01 -0.34 -4.77 115.64 115.47 3h88 s THR 77 Ca -0.10 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 60.96 3h88 s THR 77 Cb -0.16 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 3h88 s THR 77 CO 0.01 0.50 0.10 -0.63 -0.69 0.00 0.00 174.62 173.91 3h88 s ILE 78 N 0.44 5.14 0.35 1.82 1.09 -1.26 -0.94 121.20 127.84 3h88 s ILE 78 Ca -0.18 0.09 0.03 0.00 -1.10 0.00 0.00 60.65 59.50 3h88 s ILE 78 Cb -0.17 -3.31 -0.04 0.00 -1.06 0.00 0.00 42.46 37.88 3h88 s ILE 78 CO 0.07 0.49 0.13 -0.55 -0.10 0.00 0.00 174.94 174.98 3h88 s SER 79 N 0.05 2.15 0.07 3.58 0.15 -0.11 -4.95 113.70 114.65 3h88 s SER 79 Ca 0.08 -1.56 0.04 0.00 0.70 0.00 0.00 55.95 55.20 3h88 s SER 79 Cb -0.12 0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 3h88 s SER 79 CO -0.00 -0.85 -0.11 -1.00 1.20 0.00 0.00 173.24 172.49 3h88 s HIS 80 N -3.40 0.97 0.77 3.44 3.76 -1.26 -0.07 115.29 119.50 3h88 s HIS 80 Ca 0.31 -0.53 -0.04 0.00 -0.15 0.00 0.00 55.06 54.65 3h88 s HIS 80 Cb 0.05 -0.55 0.16 0.00 1.11 0.00 0.00 32.58 33.35 3h88 s HIS 80 CO 0.16 -0.01 1.05 -0.40 -0.85 0.00 0.00 174.74 174.69 3h88 n ASP 81 N 1.13 1.00 0.26 1.40 5.68 -0.68 -4.91 116.55 120.43 3h88 n ASP 81 Ca -0.20 -1.94 0.17 0.00 -0.50 0.00 0.00 54.79 52.32 3h88 n ASP 81 Cb 0.55 -0.72 0.81 0.00 -1.14 0.00 0.00 41.12 40.62 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 -0.02 0.11 2.10 -2.02 -0.78 116.57 115.96 3h88 h LYS 82 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 3h88 h LYS 82 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3h88 h LYS 82 CO 0.33 0.00 -0.36 1.28 -2.00 0.00 0.00 179.45 178.71 3h88 n LEU 83 N -2.83 2.15 0.00 7.07 4.77 -1.26 -4.96 117.00 121.94 3h88 n LEU 83 Ca -0.01 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 3h88 n LEU 83 Cb 0.18 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3h88 n LEU 83 CO 0.21 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3h88 n GLY 84 N 1.40 0.60 3.75 -0.72 0.00 -0.30 -5.06 105.19 104.85 3h88 n GLY 84 Ca 0.11 0.00 -0.41 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 -0.91 4.25 0.34 1.61 2.20 -1.26 -4.74 119.74 121.22 3h88 s LYS 85 Ca 0.00 2.35 -0.24 0.00 -0.36 0.00 0.00 55.97 57.72 3h88 s LYS 85 Cb 0.00 -3.09 -0.10 0.00 -1.51 0.00 0.00 37.83 33.13 3h88 s LYS 85 CO 0.00 -0.44 0.91 -1.25 -0.36 0.00 0.00 175.35 174.21 3h88 s PRO 86 N -0.53 4.43 -0.05 4.03 0.04 -1.26 -1.68 135.00 139.98 3h88 s PRO 86 Ca 0.59 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.87 3h88 s PRO 86 Cb -0.43 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 3h88 s PRO 86 CO 0.45 0.21 -0.20 -0.51 0.04 0.00 0.00 177.00 176.99 3h88 s LEU 87 N -2.37 1.98 -0.19 -3.56 1.43 0.90 -4.62 118.68 112.26 3h88 s LEU 87 Ca 0.53 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 3h88 s LEU 87 Cb -0.16 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 3h88 s LEU 87 CO 0.20 0.20 0.02 -0.22 0.23 0.00 0.00 176.35 176.78 3h88 s LEU 88 N -0.09 3.49 -0.08 1.79 2.96 -1.26 -0.93 118.68 124.56 3h88 s LEU 88 Ca -0.02 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3h88 s LEU 88 Cb -0.12 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.69 3h88 s LEU 88 CO 0.02 0.12 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.35 3h88 s ILE 89 N 0.66 1.71 0.12 6.68 1.09 -0.12 -4.92 121.20 126.42 3h88 s ILE 89 Ca 0.01 -0.83 -0.09 0.00 -1.10 0.00 0.00 60.65 58.64 3h88 s ILE 89 Cb -0.14 -1.49 -0.06 0.00 -1.06 0.00 0.00 42.46 39.72 3h88 s ILE 89 CO 0.02 0.48 0.42 -0.76 -0.10 0.00 0.00 174.94 175.00 3h88 s LEU 90 N 0.33 4.31 0.00 2.97 1.02 -1.26 -1.20 118.68 124.84 3h88 s LEU 90 Ca -0.14 0.77 0.02 0.00 0.02 0.00 0.00 54.13 54.81 3h88 s LEU 90 Cb -0.16 -3.16 -0.01 0.00 0.02 0.00 0.00 46.19 42.88 3h88 s LEU 90 CO 0.06 0.11 0.22 -1.54 0.02 0.00 0.00 176.35 175.22 3h88 n SER 91 N 0.58 -0.60 0.00 2.29 3.41 0.56 -4.70 113.62 115.16 3h88 n SER 91 Ca -0.05 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 3h88 n SER 91 Cb 0.52 1.23 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 3h88 n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h88 n GLY 92 N -0.37 1.60 0.29 5.00 0.00 -1.26 -1.69 105.19 108.75 3h88 n GLY 92 Ca 0.03 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 0.45 -0.46 1.61 5.75 -1.95 -2.35 115.11 118.16 3h88 h GLN 93 Ca 0.00 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3h88 h GLN 93 Cb 0.00 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3h88 h GLN 93 CO 0.00 0.35 0.21 0.00 -2.65 0.00 0.00 178.83 176.74 3h88 h ALA 94 N 1.72 0.60 -0.69 3.38 0.00 -1.77 0.35 119.26 122.84 3h88 h ALA 94 Ca 0.12 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3h88 h ALA 94 Cb 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3h88 h ALA 94 CO -0.02 0.18 0.44 0.00 0.00 0.00 0.00 179.25 179.86 3h88 h ALA 95 N 1.05 0.89 0.28 0.00 0.00 -0.92 0.51 119.26 121.07 3h88 h ALA 95 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h88 h ALA 95 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3h88 h ALA 95 CO -0.02 0.25 -0.30 1.49 0.00 0.00 0.00 179.25 180.67 3h88 h GLU 96 N 0.89 -0.60 -0.86 0.00 4.57 -0.91 -1.07 114.58 116.60 3h88 h GLU 96 Ca 0.27 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 3h88 h GLU 96 Cb -0.04 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 3h88 h GLU 96 CO -0.08 -0.40 0.51 -0.07 -1.18 0.00 0.00 179.01 177.78 3h88 h LEU 97 N -0.62 1.04 -0.98 1.64 3.38 -0.83 -1.49 115.31 117.43 3h88 h LEU 97 Ca -0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3h88 h LEU 97 Cb 0.58 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3h88 h LEU 97 CO -0.07 0.80 0.35 0.00 0.09 0.00 0.00 178.44 179.61 3h88 h ALA 98 N 1.37 1.20 -0.46 1.53 0.00 -0.70 -1.77 119.26 120.43 3h88 h ALA 98 Ca 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h88 h ALA 98 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3h88 h ALA 98 CO -0.06 0.60 0.28 1.03 0.00 0.00 0.00 179.25 181.11 3h88 h SER 99 N 1.07 0.55 -0.63 0.00 0.87 -0.51 -0.49 113.55 114.41 3h88 h SER 99 Ca 0.26 -0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.83 3h88 h SER 99 Cb 0.12 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 3h88 h SER 99 CO -0.03 0.44 0.42 1.56 -0.53 0.00 0.00 176.83 178.69 3h88 h GLN 100 N 0.62 0.60 -0.00 2.24 4.20 -0.83 -1.40 115.11 120.54 3h88 h GLN 100 Ca 0.17 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3h88 h GLN 100 Cb -0.01 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3h88 h GLN 100 CO -0.03 0.40 -0.15 1.28 -0.67 0.00 0.00 178.83 179.66 3h88 n LEU 101 N -4.48 0.22 -1.23 1.46 4.77 -0.67 -4.94 117.00 112.14 3h88 n LEU 101 Ca 0.09 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.23 3h88 n LEU 101 Cb 0.23 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3h88 n LEU 101 CO 0.34 0.05 -0.07 0.00 -1.33 0.00 0.00 177.39 176.38 3h88 n GLN 102 N -1.37 -1.31 -2.02 3.23 6.02 -0.30 -4.88 117.38 116.75 3h88 n GLN 102 Ca 0.09 0.43 -0.42 0.00 -0.01 0.00 0.00 57.00 57.09 3h88 n GLN 102 Cb 0.32 -4.38 -0.03 0.00 1.02 0.00 0.00 30.24 27.17 3h88 n GLN 102 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3h88 s VAL 103 N -2.60 2.94 0.00 5.09 1.01 -0.54 -4.38 120.40 121.92 3h88 s VAL 103 Ca 0.05 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.66 3h88 s VAL 103 Cb -0.02 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.96 3h88 s VAL 103 CO 0.07 0.04 0.00 -0.62 0.00 0.00 0.00 175.10 174.58 3h88 n GLU 104 N 4.32 2.05 -4.06 2.72 1.02 -0.03 -4.84 120.64 121.82 3h88 n GLU 104 Ca 0.13 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.10 3h88 n GLU 104 Cb 0.40 -0.83 -0.16 0.00 -0.02 0.00 0.00 31.44 30.83 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3h88 s ASN 105 N -1.62 0.62 -0.08 1.62 -0.87 -0.70 -5.03 114.94 108.88 3h88 s ASN 105 Ca 0.00 -0.08 0.03 0.00 -1.57 0.00 0.00 52.86 51.25 3h88 s ASN 105 Cb 0.00 -0.27 0.01 0.00 -0.02 0.00 0.00 41.25 40.96 3h88 s ASN 105 CO 0.00 -0.05 -0.18 -0.63 -2.57 0.00 0.00 177.10 173.67 3h88 s ILE 106 N 0.74 1.58 -0.06 0.60 1.01 -1.26 -0.62 121.20 123.20 3h88 s ILE 106 Ca -0.08 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3h88 s ILE 106 Cb -0.12 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 3h88 s ILE 106 CO -0.01 0.45 -0.22 -1.00 0.00 0.00 0.00 174.94 174.16 3h88 s HIS 107 N 0.46 2.22 -0.01 3.97 3.76 -0.15 -4.81 115.29 120.74 3h88 s HIS 107 Ca -0.16 -0.69 0.01 0.00 -0.15 0.00 0.00 55.06 54.07 3h88 s HIS 107 Cb -0.16 -1.47 0.01 0.00 1.11 0.00 0.00 32.58 32.06 3h88 s HIS 107 CO 0.06 -0.23 -0.02 -1.17 -0.85 0.00 0.00 174.74 172.53 3h88 s LEU 108 N -0.03 1.79 0.04 0.89 2.96 -1.26 -0.56 118.68 122.51 3h88 s LEU 108 Ca -0.06 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3h88 s LEU 108 Cb -0.14 -0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.37 3h88 s LEU 108 CO 0.04 0.00 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.43 3h88 s SER 109 N 0.21 1.07 0.04 3.68 0.15 -0.43 -4.65 113.70 113.76 3h88 s SER 109 Ca -0.02 -0.46 0.05 0.00 0.70 0.00 0.00 55.95 56.23 3h88 s SER 109 Cb -0.04 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 3h88 s SER 109 CO -0.01 -0.09 -0.14 -0.63 1.20 0.00 0.00 173.24 173.57 3h88 s ILE 110 N -1.03 1.13 -0.04 6.45 1.01 -1.26 -1.40 121.20 126.06 3h88 s ILE 110 Ca -0.05 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.52 3h88 s ILE 110 Cb -0.08 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.38 3h88 s ILE 110 CO 0.01 0.03 0.23 -0.55 0.00 0.00 0.00 174.94 174.65 3h88 s SER 111 N -1.09 -0.15 0.03 3.58 0.15 -1.26 -5.01 113.70 109.96 3h88 s SER 111 Ca 0.02 0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.85 3h88 s SER 111 Cb -0.08 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 3h88 s SER 111 CO 0.01 -0.27 -0.07 1.51 1.20 0.00 0.00 173.24 175.62 3h88 s ASP 112 N -0.74 0.70 0.00 5.45 1.47 -1.26 -4.43 116.67 117.86 3h88 s ASP 112 Ca -0.08 -0.50 0.00 0.00 1.18 0.00 0.00 52.55 53.15 3h88 s ASP 112 Cb -0.05 0.04 0.00 0.00 -0.34 0.00 0.00 42.92 42.57 3h88 s ASP 112 CO 0.02 -0.20 0.00 -0.62 0.68 0.00 0.00 175.17 175.05 3h88 n GLU 113 N 1.62 3.86 -0.04 2.11 -0.58 -0.31 -5.00 120.64 122.30 3h88 n GLU 113 Ca -0.22 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.42 3h88 n GLU 113 Cb 0.55 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.39 3h88 n GLU 113 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h88 h ARG 114 N 0.00 0.22 0.00 3.49 -0.00 -2.03 -3.33 114.38 112.72 3h88 h ARG 114 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 3h88 h ARG 114 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 29.92 3h88 h ARG 114 CO 0.00 0.14 -1.71 0.72 0.00 0.00 0.00 179.97 179.12 3h88 n HIS 115 N -5.00 0.00 -4.30 3.04 8.25 -1.26 -4.91 115.22 111.04 3h88 n HIS 115 Ca -0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 3h88 n HIS 115 Cb 0.05 -0.37 -0.14 0.00 1.12 0.00 0.00 29.99 30.66 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 -3.16 0.87 0.47 4.41 1.51 -1.25 -1.16 117.35 119.04 3h88 s TYR 116 Ca -0.05 -0.25 0.05 0.00 -1.01 0.00 0.00 57.07 55.80 3h88 s TYR 116 Cb 0.11 -0.54 -0.03 0.00 -0.11 0.00 0.00 41.96 41.39 3h88 s TYR 116 CO 0.72 -0.01 0.11 0.00 -1.11 0.00 0.00 175.55 175.27 3h88 s ALA 117 N -0.55 3.82 0.00 3.71 0.00 -0.13 -1.16 121.76 127.45 3h88 s ALA 117 Ca 0.01 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.57 3h88 s ALA 117 Cb -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3h88 s ALA 117 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 175.76 175.61 3h88 n ALA 119 N -1.27 0.00 -2.63 0.00 0.00 -0.70 -0.22 120.51 115.69 3h88 n ALA 119 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 3h88 n ALA 119 Cb 0.66 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.96 3h88 n ALA 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3h88 s THR 120 N -1.94 0.87 -0.01 0.00 2.01 -0.49 -1.59 115.64 114.49 3h88 s THR 120 Ca 0.00 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.57 3h88 s THR 120 Cb 0.00 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 3h88 s THR 120 CO 0.00 0.24 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.32 3h88 s VAL 121 N -0.27 1.28 -0.03 3.82 1.01 0.13 -1.32 120.40 125.01 3h88 s VAL 121 Ca 0.04 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.33 3h88 s VAL 121 Cb -0.04 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 3h88 s VAL 121 CO -0.00 0.33 -0.14 -0.63 0.00 0.00 0.00 175.10 174.66 3h88 s ILE 122 N -0.43 1.14 -0.09 2.22 1.01 0.28 -0.74 121.20 124.60 3h88 s ILE 122 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3h88 s ILE 122 Cb -0.06 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 3h88 s ILE 122 CO -0.00 0.33 -0.08 -0.76 0.00 0.00 0.00 174.94 174.43 3h88 s LEU 123 N 0.03 3.05 0.04 2.97 1.43 -0.57 -0.97 118.68 124.66 3h88 s LEU 123 Ca -0.02 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3h88 s LEU 123 Cb -0.09 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 3h88 s LEU 123 CO 0.01 0.31 -0.09 -1.83 0.23 0.00 0.00 176.35 174.98 3h88 s GLU 124 N -0.48 0.59 0.00 1.70 -1.05 0.21 -0.97 118.70 118.71 3h88 s GLU 124 Ca 0.07 -0.76 0.20 0.00 -0.15 0.00 0.00 54.97 54.33 3h88 s GLU 124 Cb -0.12 -0.43 0.15 0.00 -0.44 0.00 0.00 34.13 33.30 3h88 s GLU 124 CO 0.02 0.09 1.12 2.89 0.95 0.00 0.00 175.26 180.33