#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 3.10 -0.13 0.00 1.01 -1.26 -4.97 121.20 118.95 3h88 s ILE 2 Ca 0.00 -0.62 0.19 0.00 0.00 0.00 0.00 60.65 60.22 3h88 s ILE 2 Cb 0.00 -2.34 -0.18 0.00 0.01 0.00 0.00 42.46 39.94 3h88 s ILE 2 CO 0.00 0.49 0.64 1.33 0.00 0.00 0.00 174.94 177.40 3h88 n VAL 3 N 4.03 0.91 -3.54 2.92 0.24 0.97 -4.95 118.33 118.91 3h88 n VAL 3 Ca -0.18 -0.66 -0.11 0.00 -2.04 0.00 0.00 64.34 61.34 3h88 n VAL 3 Cb 0.52 -0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 32.36 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 -4.81 -0.40 -0.00 7.63 0.00 -1.10 -4.95 107.32 103.68 3h88 s GLY 4 Ca -0.05 1.53 0.01 0.00 0.00 0.00 0.00 44.72 46.21 3h88 s GLY 4 CO 0.83 0.76 -0.04 -2.27 0.00 0.00 0.00 173.10 172.38 3h88 s LEU 5 N -1.63 1.97 -0.02 0.66 2.96 -1.25 -1.44 118.68 119.93 3h88 s LEU 5 Ca -0.01 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 3h88 s LEU 5 Cb -0.01 -0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.46 3h88 s LEU 5 CO -0.01 0.05 0.21 -0.83 -1.32 0.00 0.00 176.35 174.44 3h88 s GLY 6 N -0.06 -0.05 0.03 7.98 0.00 -0.36 -3.59 107.32 111.28 3h88 s GLY 6 Ca 0.01 0.13 -0.08 0.00 0.00 0.00 0.00 44.72 44.78 3h88 s GLY 6 CO -0.00 -0.02 0.17 -1.08 0.00 0.00 0.00 173.10 172.16 3h88 s THR 7 N -1.14 0.11 -0.22 0.90 -1.32 -1.26 -0.60 115.64 112.12 3h88 s THR 7 Ca -0.12 -0.92 -0.26 0.00 -1.21 0.00 0.00 61.69 59.18 3h88 s THR 7 Cb -0.06 -0.86 0.07 0.00 -1.51 0.00 0.00 72.50 70.15 3h88 s THR 7 CO 0.02 -0.51 0.74 -0.62 -2.21 0.00 0.00 174.62 172.05 3h88 s ASP 8 N -2.02 -0.70 -0.04 8.08 2.15 -0.37 -4.54 116.67 119.24 3h88 s ASP 8 Ca -0.06 1.22 0.06 0.00 0.43 0.00 0.00 52.55 54.21 3h88 s ASP 8 Cb -0.02 1.20 -0.01 0.00 -0.30 0.00 0.00 42.92 43.79 3h88 s ASP 8 CO -0.03 -0.32 -0.24 -0.51 -0.17 0.00 0.00 175.17 173.89 3h88 s ILE 9 N -0.01 1.92 -0.00 4.11 2.07 -1.26 -1.13 121.20 126.91 3h88 s ILE 9 Ca -0.02 -1.01 0.05 0.00 -1.41 0.00 0.00 60.65 58.26 3h88 s ILE 9 Cb -0.04 -1.62 -0.01 0.00 0.13 0.00 0.00 42.46 40.92 3h88 s ILE 9 CO 0.02 0.54 -0.16 0.00 -1.91 0.00 0.00 174.94 173.44 3h88 s ALA 10 N -0.29 1.32 -0.28 1.50 0.00 0.83 -4.99 121.76 119.83 3h88 s ALA 10 Ca 0.01 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.01 3h88 s ALA 10 Cb -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3h88 s ALA 10 CO 0.02 0.31 0.83 -2.00 0.00 0.00 0.00 175.76 174.92 3h88 s GLU 11 N -0.51 4.06 0.20 0.00 2.12 -1.26 -1.32 118.70 121.99 3h88 s GLU 11 Ca 0.06 0.77 -0.08 0.00 0.36 0.00 0.00 54.97 56.08 3h88 s GLU 11 Cb -0.06 -3.70 0.13 0.00 0.26 0.00 0.00 34.13 30.75 3h88 s GLU 11 CO -0.00 -0.64 1.68 0.82 -0.54 0.00 0.00 175.26 176.58 3h88 h ILE 12 N 5.55 1.26 -0.09 -3.70 2.04 -1.57 -2.38 117.51 118.62 3h88 h ILE 12 Ca -0.23 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 3h88 h ILE 12 Cb 1.09 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3h88 h ILE 12 CO 0.90 0.40 -0.09 -0.08 0.00 0.00 0.00 178.15 179.28 3h88 h GLU 13 N 0.97 0.14 -0.43 2.37 4.81 -1.92 -0.42 114.58 120.10 3h88 h GLU 13 Ca 0.18 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3h88 h GLU 13 Cb 0.50 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3h88 h GLU 13 CO 0.02 0.24 -0.01 0.00 -0.73 0.00 0.00 179.01 178.53 3h88 h ARG 14 N 0.14 0.71 -0.39 1.92 3.08 -1.82 -0.60 114.38 117.41 3h88 h ARG 14 Ca 0.03 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 3h88 h ARG 14 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3h88 h ARG 14 CO 0.01 0.73 -0.08 0.28 -1.07 0.00 0.00 179.97 179.84 3h88 h VAL 15 N 0.66 1.27 -0.61 2.04 2.07 -1.15 -1.91 116.25 118.62 3h88 h VAL 15 Ca 0.13 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 3h88 h VAL 15 Cb 0.42 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3h88 h VAL 15 CO 0.02 0.39 0.18 -0.33 0.02 0.00 0.00 177.57 177.84 3h88 h GLU 16 N 0.55 0.97 -0.73 1.57 5.08 -0.88 -1.58 114.58 119.56 3h88 h GLU 16 Ca 0.10 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3h88 h GLU 16 Cb 0.60 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 3h88 h GLU 16 CO 0.04 0.87 0.46 0.87 -1.00 0.00 0.00 179.01 180.24 3h88 h LYS 17 N 0.89 0.98 -0.41 2.33 1.57 -1.06 -1.03 116.57 119.84 3h88 h LYS 17 Ca 0.20 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3h88 h LYS 17 Cb 0.31 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3h88 h LYS 17 CO -0.00 0.68 -0.03 0.00 -0.57 0.00 0.00 179.45 179.53 3h88 h ALA 18 N 1.25 1.19 -0.35 3.86 0.00 -0.93 -2.10 119.26 122.18 3h88 h ALA 18 Ca 0.27 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3h88 h ALA 18 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3h88 h ALA 18 CO -0.05 0.53 -0.27 -0.07 0.00 0.00 0.00 179.25 179.39 3h88 h LEU 19 N 0.63 0.74 -1.79 0.00 3.38 -0.90 0.58 115.31 117.94 3h88 h LEU 19 Ca 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3h88 h LEU 19 Cb 0.43 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3h88 h LEU 19 CO 0.02 0.97 -0.14 0.00 0.09 0.00 0.00 178.44 179.38 3h88 h ALA 20 N 1.08 1.65 0.00 1.53 0.00 -0.62 -0.04 119.26 122.87 3h88 h ALA 20 Ca 0.08 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 3h88 h ALA 20 Cb 0.77 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3h88 h ALA 20 CO 0.06 0.17 -1.55 0.54 0.00 0.00 0.00 179.25 178.47 3h88 n ARG 21 N -4.19 0.57 -0.00 0.00 1.74 -0.84 -4.73 116.66 109.20 3h88 n ARG 21 Ca -0.02 0.50 0.04 0.00 -0.77 0.00 0.00 57.85 57.60 3h88 n ARG 21 Cb 0.21 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 3h88 n ARG 21 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3h88 n SER 22 N -4.37 1.26 0.00 0.55 7.64 0.18 -5.04 113.62 113.84 3h88 n SER 22 Ca -0.37 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.05 3h88 n SER 22 Cb 0.73 1.11 0.00 0.00 -1.01 0.00 0.00 64.21 65.04 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 1.45 3.31 0.25 0.23 0.00 -0.03 -2.36 105.19 108.05 3h88 n GLY 23 Ca 0.01 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 -0.84 1.61 4.57 -1.95 -0.84 114.58 117.12 3h88 h GLU 24 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3h88 h GLU 24 Cb 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 3h88 h GLU 24 CO 0.00 0.10 0.47 -0.91 -1.18 0.00 0.00 179.01 177.49 3h88 h ASN 25 N 0.00 1.04 0.02 1.04 2.35 -1.90 0.21 115.58 118.35 3h88 h ASN 25 Ca -0.00 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3h88 h ASN 25 Cb 0.19 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3h88 h ASN 25 CO 0.01 0.83 -0.01 0.15 -1.65 0.00 0.00 177.43 176.76 3h88 h PHE 26 N 1.18 -0.03 -0.92 1.19 3.57 -1.29 -3.16 116.94 117.48 3h88 h PHE 26 Ca 0.30 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3h88 h PHE 26 Cb 0.01 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3h88 h PHE 26 CO 0.01 0.63 0.53 0.00 -2.23 0.00 0.00 178.31 177.25 3h88 h ALA 27 N 0.18 1.21 0.00 2.41 0.00 -0.91 -2.09 119.26 120.06 3h88 h ALA 27 Ca -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3h88 h ALA 27 Cb 0.67 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3h88 h ALA 27 CO 0.01 0.66 -0.24 0.00 0.00 0.00 0.00 179.25 179.68 3h88 h ARG 28 N 1.28 0.00 -0.42 0.00 3.08 -0.70 0.13 114.38 117.74 3h88 h ARG 28 Ca 0.33 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.26 3h88 h ARG 28 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3h88 h ARG 28 CO -0.06 0.24 -0.21 -0.09 -1.07 0.00 0.00 179.97 178.79 3h88 h ARG 29 N 0.00 0.89 0.14 0.04 2.43 -1.34 -3.33 114.38 113.20 3h88 h ARG 29 Ca -0.00 -0.39 -0.28 0.00 -0.81 0.00 0.00 59.98 58.50 3h88 h ARG 29 Cb 0.52 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3h88 h ARG 29 CO 0.03 1.04 -1.26 0.82 -1.51 0.00 0.00 179.97 179.09 3h88 h ILE 30 N 0.71 1.44 -3.40 1.20 1.08 -1.25 -3.40 117.51 113.88 3h88 h ILE 30 Ca 0.09 -2.90 -0.67 0.00 -0.39 0.00 0.00 64.86 60.99 3h88 h ILE 30 Cb 0.77 2.90 -0.15 0.00 -3.07 0.00 0.00 36.82 37.27 3h88 h ILE 30 CO 0.06 0.86 -0.64 -0.76 -0.69 0.00 0.00 178.15 176.97 3h88 s LEU 31 N -7.33 3.48 0.75 1.44 1.43 -0.03 -4.45 118.68 113.98 3h88 s LEU 31 Ca -0.05 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 3h88 s LEU 31 Cb 0.07 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.43 3h88 s LEU 31 CO 0.90 0.32 1.08 0.42 0.23 0.00 0.00 176.35 179.30 3h88 s THR 32 N -0.98 3.54 0.31 5.49 -4.23 -1.26 -4.66 115.64 113.85 3h88 s THR 32 Ca 0.16 0.50 0.01 0.00 -1.18 0.00 0.00 61.69 61.19 3h88 s THR 32 Cb -0.11 -3.11 0.28 0.00 1.34 0.00 0.00 72.50 70.90 3h88 s THR 32 CO 0.06 -0.66 1.92 0.44 -0.54 0.00 0.00 174.62 175.84 3h88 h ASP 33 N -0.99 0.89 -0.79 3.99 3.32 -1.99 0.11 116.42 120.96 3h88 h ASP 33 Ca -0.44 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 3h88 h ASP 33 Cb 1.23 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 3h88 h ASP 33 CO 0.54 0.57 0.42 -1.28 -1.72 0.00 0.00 179.24 177.77 3h88 h SER 34 N 1.01 1.01 0.71 6.45 0.87 -2.03 -2.56 113.55 119.02 3h88 h SER 34 Ca 0.38 -0.10 -0.13 0.00 -1.23 0.00 0.00 61.79 60.71 3h88 h SER 34 Cb 0.19 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3h88 h SER 34 CO -0.14 0.83 -0.63 -0.33 -0.53 0.00 0.00 176.83 176.03 3h88 h GLU 35 N 1.13 0.00 -0.56 2.24 5.08 -1.50 -3.10 114.58 117.86 3h88 h GLU 35 Ca 0.28 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.72 3h88 h GLU 35 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3h88 h GLU 35 CO -0.04 0.63 0.38 -0.07 -1.00 0.00 0.00 179.01 178.90 3h88 h LEU 36 N 0.00 0.40 -0.23 1.33 3.38 -0.44 -1.63 115.31 118.12 3h88 h LEU 36 Ca -0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3h88 h LEU 36 Cb 1.16 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 3h88 h LEU 36 CO 0.08 0.26 -0.04 -0.33 0.09 0.00 0.00 178.44 178.50 3h88 h GLU 37 N 0.45 0.02 -0.38 1.13 5.08 -1.44 0.18 114.58 119.63 3h88 h GLU 37 Ca 0.25 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.48 3h88 h GLU 37 Cb 0.40 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3h88 h GLU 37 CO -0.07 0.01 -0.30 1.96 -1.00 0.00 0.00 179.01 179.62 3h88 h GLN 38 N 0.02 0.81 -0.53 2.33 4.20 -1.53 -2.78 115.11 117.62 3h88 h GLN 38 Ca 0.11 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 3h88 h GLN 38 Cb 0.16 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3h88 h GLN 38 CO -0.22 1.00 0.26 0.35 -0.67 0.00 0.00 178.83 179.55 3h88 h PHE 39 N 0.69 0.76 -0.17 2.96 3.57 -0.91 -2.20 116.94 121.63 3h88 h PHE 39 Ca 0.08 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3h88 h PHE 39 Cb 0.84 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3h88 h PHE 39 CO 0.05 0.59 -0.09 0.45 -2.23 0.00 0.00 178.31 177.07 3h88 h HIS 40 N 0.71 0.27 0.00 0.41 3.86 -0.59 -1.25 115.15 118.57 3h88 h HIS 40 Ca 0.18 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 3h88 h HIS 40 Cb 0.11 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 3h88 h HIS 40 CO -0.01 0.36 -0.12 0.00 0.86 0.00 0.00 177.93 179.02 3h88 h ALA 41 N 1.66 0.99 -2.91 2.45 0.00 -1.16 -3.46 119.26 116.83 3h88 h ALA 41 Ca 0.05 -0.11 -0.54 0.00 0.00 0.00 0.00 54.91 54.32 3h88 h ALA 41 Cb 0.32 -0.02 0.12 0.00 0.00 0.00 0.00 17.79 18.22 3h88 h ALA 41 CO 0.02 0.15 0.50 0.45 0.00 0.00 0.00 179.25 180.36 3h88 s SER 42 N -6.02 5.09 0.00 0.00 0.15 -0.47 -4.93 113.70 107.52 3h88 s SER 42 Ca 0.02 2.48 0.22 0.00 0.70 0.00 0.00 55.95 59.37 3h88 s SER 42 Cb 0.09 -2.61 0.42 0.00 -1.71 0.00 0.00 66.02 62.21 3h88 s SER 42 CO 0.61 -1.66 1.38 0.29 1.20 0.00 0.00 173.24 175.06 3h88 n LYS 43 N -1.57 2.47 -3.16 5.44 5.02 -1.26 -4.48 118.16 120.62 3h88 n LYS 43 Ca 0.14 -2.27 -0.20 0.00 -2.02 0.00 0.00 58.31 53.95 3h88 n LYS 43 Cb 0.49 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.97 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 1.43 1.33 -0.31 1.97 6.02 -1.26 -5.00 117.38 121.57 3h88 n GLN 44 Ca 0.19 -3.62 -0.01 0.00 -0.01 0.00 0.00 57.00 53.55 3h88 n GLN 44 Cb 0.59 -1.75 0.12 0.00 1.02 0.00 0.00 30.24 30.22 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3h88 h GLN 45 N 3.13 0.99 -0.37 -1.09 4.20 -1.88 -0.04 115.11 120.05 3h88 h GLN 45 Ca 0.10 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.77 3h88 h GLN 45 Cb 0.88 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 3h88 h GLN 45 CO 0.55 0.65 0.21 0.78 -0.67 0.00 0.00 178.83 180.36 3h88 h GLY 46 N 1.02 0.51 0.92 3.46 0.00 -1.94 0.59 103.07 107.63 3h88 h GLY 46 Ca 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 3h88 h GLY 46 CO -0.14 0.13 0.12 3.21 0.00 0.00 0.00 176.54 179.86 3h88 h ARG 47 N 0.43 0.52 -0.04 4.80 3.08 -1.78 0.03 114.38 121.41 3h88 h ARG 47 Ca 0.15 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.13 3h88 h ARG 47 Cb 0.02 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3h88 h ARG 47 CO -0.08 0.53 -0.16 0.35 -1.07 0.00 0.00 179.97 179.54 3h88 h PHE 48 N 0.40 -0.43 -0.60 3.04 3.57 -0.79 -2.32 116.94 119.81 3h88 h PHE 48 Ca 0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3h88 h PHE 48 Cb 0.22 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3h88 h PHE 48 CO 0.00 -0.24 0.10 1.25 -2.23 0.00 0.00 178.31 177.19 3h88 h LEU 49 N -0.25 0.93 -0.79 0.59 5.85 -0.80 -2.54 115.31 118.30 3h88 h LEU 49 Ca 0.07 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.60 3h88 h LEU 49 Cb 0.34 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3h88 h LEU 49 CO -0.18 0.93 0.51 0.00 -0.34 0.00 0.00 178.44 179.36 3h88 h ALA 50 N 1.18 1.01 -0.52 1.25 0.00 -0.79 0.22 119.26 121.60 3h88 h ALA 50 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h88 h ALA 50 Cb 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3h88 h ALA 50 CO 0.01 0.37 0.30 0.87 0.00 0.00 0.00 179.25 180.79 3h88 h LYS 51 N 1.03 0.73 -0.57 0.00 1.57 -1.23 -1.41 116.57 116.68 3h88 h LYS 51 Ca 0.30 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3h88 h LYS 51 Cb -0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3h88 h LYS 51 CO -0.08 0.55 0.13 0.00 -0.57 0.00 0.00 179.45 179.48 3h88 h ARG 52 N 0.70 0.91 -0.47 3.15 2.47 -1.13 -1.34 114.38 118.68 3h88 h ARG 52 Ca 0.19 -0.22 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3h88 h ARG 52 Cb 0.03 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 3h88 h ARG 52 CO -0.03 0.85 0.22 0.35 0.56 0.00 0.00 179.97 181.92 3h88 h PHE 53 N 0.81 0.68 -0.36 3.04 3.57 -0.88 -0.02 116.94 123.80 3h88 h PHE 53 Ca 0.18 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3h88 h PHE 53 Cb 0.36 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3h88 h PHE 53 CO 0.03 0.56 0.14 0.00 -2.23 0.00 0.00 178.31 176.80 3h88 h ALA 54 N 1.06 0.46 -0.43 2.41 0.00 -1.13 0.47 119.26 122.10 3h88 h ALA 54 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h88 h ALA 54 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3h88 h ALA 54 CO -0.02 0.06 0.23 0.00 0.00 0.00 0.00 179.25 179.53 3h88 h ALA 55 N 0.99 0.56 -0.39 0.00 0.00 -0.95 0.03 119.26 119.49 3h88 h ALA 55 Ca 0.12 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3h88 h ALA 55 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3h88 h ALA 55 CO -0.01 0.09 -0.29 0.87 0.00 0.00 0.00 179.25 179.91 3h88 h LYS 56 N 0.56 0.88 -0.56 0.00 1.57 -0.83 0.35 116.57 118.55 3h88 h LYS 56 Ca 0.15 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 3h88 h LYS 56 Cb 0.07 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3h88 h LYS 56 CO -0.02 1.07 0.28 0.93 -0.57 0.00 0.00 179.45 181.14 3h88 h GLU 57 N 0.69 0.79 -0.74 3.15 5.08 -0.76 -0.96 114.58 121.84 3h88 h GLU 57 Ca 0.07 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3h88 h GLU 57 Cb 0.87 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 3h88 h GLU 57 CO 0.08 0.63 0.47 0.00 -1.00 0.00 0.00 179.01 179.19 3h88 h ALA 58 N 1.12 0.96 -0.69 3.43 0.00 -0.83 -1.50 119.26 121.74 3h88 h ALA 58 Ca 0.19 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3h88 h ALA 58 Cb 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3h88 h ALA 58 CO -0.03 0.28 0.14 0.00 0.00 0.00 0.00 179.25 179.64 3h88 h ALA 59 N 1.30 0.94 -0.39 0.00 0.00 -0.65 -1.06 119.26 119.39 3h88 h ALA 59 Ca 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3h88 h ALA 59 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3h88 h ALA 59 CO -0.10 0.67 0.17 0.66 0.00 0.00 0.00 179.25 180.65 3h88 h SER 60 N 1.06 0.49 -0.05 0.00 4.64 -0.83 -1.96 113.55 116.89 3h88 h SER 60 Ca 0.21 -0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 61.29 3h88 h SER 60 Cb 0.41 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3h88 h SER 60 CO 0.01 0.43 -0.70 0.11 -0.87 0.00 0.00 176.83 175.81 3h88 h LYS 61 N 0.55 0.69 -0.25 4.77 1.57 -0.78 -0.98 116.57 122.13 3h88 h LYS 61 Ca 0.14 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 3h88 h LYS 61 Cb 0.09 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3h88 h LYS 61 CO -0.02 1.14 0.12 0.00 -0.57 0.00 0.00 179.45 180.12 3h88 h ALA 62 N 0.73 1.75 0.00 3.86 0.00 -0.75 -1.81 119.26 123.05 3h88 h ALA 62 Ca -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3h88 h ALA 62 Cb 1.30 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h88 h ALA 62 CO 0.14 0.21 -0.12 -0.07 0.00 0.00 0.00 179.25 179.40 3h88 h LEU 63 N 0.34 0.00 0.00 0.00 3.38 -1.29 -3.34 115.31 114.40 3h88 h LEU 63 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 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 -0.01 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3h88 n GLY 64 N 0.43 0.68 0.04 0.83 0.00 -0.68 -4.94 105.19 101.55 3h88 n GLY 64 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.03 0.56 -4.50 2.61 -2.24 -1.10 -5.02 114.28 102.56 3h88 n THR 65 Ca 0.00 -0.44 0.01 0.00 -2.27 0.00 0.00 64.05 61.35 3h88 n THR 65 Cb 0.00 -0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 -1.35 3.46 3.38 0.00 -0.39 -4.22 105.19 108.18 3h88 n GLY 66 Ca -0.14 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.08 4.69 -0.06 -0.61 -1.09 -1.26 -4.76 121.20 118.02 3h88 s ILE 67 Ca 0.00 -1.67 -0.31 0.00 -2.23 0.00 0.00 60.65 56.44 3h88 s ILE 67 Cb 0.00 -4.83 0.13 0.00 -1.58 0.00 0.00 42.46 36.17 3h88 s ILE 67 CO 0.00 -1.57 1.36 0.00 -1.23 0.00 0.00 174.94 173.50 3h88 s ALA 68 N 2.75 -2.46 -1.46 9.38 0.00 -1.04 -4.97 121.76 123.96 3h88 s ALA 68 Ca 0.36 0.63 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 3h88 s ALA 68 Cb -0.04 0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.59 3h88 s ALA 68 CO -0.08 -1.09 0.78 1.04 0.00 0.00 0.00 175.76 176.41 3h88 n GLN 69 N -0.62 -5.39 -0.04 0.00 1.13 -1.26 -0.97 117.38 110.22 3h88 n GLN 69 Ca -0.05 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 55.76 3h88 n GLN 69 Cb 0.62 -5.64 0.00 0.00 0.11 0.00 0.00 30.24 25.33 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 -1.59 2.40 3.72 1.08 0.00 -1.26 -5.02 105.19 104.52 3h88 n GLY 70 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.87 4.97 0.34 1.61 1.01 -0.14 -4.54 120.40 120.79 3h88 s VAL 71 Ca 0.00 1.52 0.05 0.00 0.00 0.00 0.00 61.98 63.54 3h88 s VAL 71 Cb 0.00 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 3h88 s VAL 71 CO 0.00 0.27 0.05 0.42 0.00 0.00 0.00 175.10 175.84 3h88 s THR 72 N 0.61 1.38 0.48 3.92 -4.23 -1.26 -2.49 115.64 114.04 3h88 s THR 72 Ca 0.39 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.03 3h88 s THR 72 Cb -0.18 -2.84 0.28 0.00 1.34 0.00 0.00 72.50 71.09 3h88 s THR 72 CO 0.20 -0.00 2.09 -0.26 -0.54 0.00 0.00 174.62 176.11 3h88 h PHE 73 N 2.03 0.21 0.00 3.99 0.04 -1.87 -1.63 116.94 119.71 3h88 h PHE 73 Ca -0.42 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.36 3h88 h PHE 73 Cb 1.24 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.32 3h88 h PHE 73 CO 0.61 0.13 0.00 0.72 -0.60 0.00 0.00 178.31 179.17 3h88 n HIS 74 N -4.50 0.00 1.29 -0.55 8.25 -1.26 -2.35 115.22 116.10 3h88 n HIS 74 Ca 0.01 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.61 3h88 n HIS 74 Cb 0.15 -0.31 0.70 0.00 1.12 0.00 0.00 29.99 31.65 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 -1.31 0.00 -4.30 0.41 8.00 -0.61 -4.74 116.55 114.00 3h88 n ASP 75 Ca 0.09 0.01 -0.32 0.00 0.71 0.00 0.00 54.79 55.28 3h88 n ASP 75 Cb 0.17 -0.33 -0.16 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.67 2.60 -0.08 1.24 0.08 -0.99 -0.42 117.98 117.74 3h88 s PHE 76 Ca 0.24 -0.77 0.02 0.00 0.12 0.00 0.00 56.93 56.55 3h88 s PHE 76 Cb 0.19 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 3h88 s PHE 76 CO 0.46 -0.25 -0.15 0.99 -0.10 0.00 0.00 175.22 176.17 3h88 s THR 77 N 0.09 1.39 -0.21 0.64 2.01 -0.17 -4.78 115.64 114.61 3h88 s THR 77 Ca -0.10 -0.62 -0.08 0.00 0.31 0.00 0.00 61.69 61.20 3h88 s THR 77 Cb -0.16 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 3h88 s THR 77 CO 0.06 0.41 0.09 -0.63 -0.69 0.00 0.00 174.62 173.86 3h88 s ILE 78 N 0.66 4.84 0.01 1.82 1.09 -1.26 -1.23 121.20 127.13 3h88 s ILE 78 Ca -0.14 -0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.40 3h88 s ILE 78 Cb -0.16 -3.22 -0.00 0.00 -1.06 0.00 0.00 42.46 38.02 3h88 s ILE 78 CO 0.04 0.40 0.00 -1.54 -0.10 0.00 0.00 174.94 173.74 3h88 n SER 79 N 4.02 1.34 -3.89 3.58 3.41 -0.26 -4.95 113.62 116.87 3h88 n SER 79 Ca -0.16 -1.04 -0.11 0.00 -0.26 0.00 0.00 58.87 57.30 3h88 n SER 79 Cb 0.52 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.37 0.08 0.39 7.33 3.76 -1.26 -0.25 115.29 123.97 3h88 s HIS 80 Ca 0.00 -0.18 -0.04 0.00 -0.15 0.00 0.00 55.06 54.69 3h88 s HIS 80 Cb 0.00 -0.07 0.09 0.00 1.11 0.00 0.00 32.58 33.70 3h88 s HIS 80 CO 0.00 -0.24 0.54 -0.40 -0.85 0.00 0.00 174.74 173.79 3h88 n ASP 81 N 1.66 0.27 0.21 1.40 5.68 -0.00 -4.92 116.55 120.85 3h88 n ASP 81 Ca -0.22 -1.34 0.08 0.00 -0.50 0.00 0.00 54.79 52.82 3h88 n ASP 81 Cb 0.56 -0.39 0.39 0.00 -1.14 0.00 0.00 41.12 40.54 3h88 n ASP 81 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3h88 h LYS 82 N 0.00 0.00 -0.00 0.11 1.57 -2.02 -2.14 116.57 114.09 3h88 h LYS 82 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3h88 h LYS 82 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3h88 h LYS 82 CO 0.15 0.28 -0.12 1.28 -0.57 0.00 0.00 179.45 180.46 3h88 n LEU 83 N -3.41 0.18 0.00 2.94 4.32 -1.26 -4.92 117.00 114.84 3h88 n LEU 83 Ca 0.00 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 3h88 n LEU 83 Cb 0.47 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 3h88 n LEU 83 CO 0.35 0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 3h88 n GLY 84 N 1.44 0.65 3.74 -0.72 0.00 -0.80 -5.07 105.19 104.43 3h88 n GLY 84 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.90 4.32 0.33 1.61 2.20 -1.26 -4.73 119.74 121.31 3h88 s LYS 85 Ca 0.00 2.21 -0.25 0.00 -0.36 0.00 0.00 55.97 57.57 3h88 s LYS 85 Cb 0.00 -3.14 -0.10 0.00 -1.51 0.00 0.00 37.83 33.08 3h88 s LYS 85 CO 0.00 -0.35 0.92 -1.25 -0.36 0.00 0.00 175.35 174.32 3h88 s PRO 86 N -0.33 4.51 0.03 4.03 0.04 -1.26 -0.82 135.00 141.20 3h88 s PRO 86 Ca 0.58 1.26 0.06 0.00 0.04 0.00 0.00 61.00 62.94 3h88 s PRO 86 Cb -0.40 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 3h88 s PRO 86 CO 0.42 0.26 -0.17 -0.51 0.04 0.00 0.00 177.00 177.03 3h88 s LEU 87 N -2.18 2.13 -0.16 -3.56 1.43 0.65 -4.57 118.68 112.43 3h88 s LEU 87 Ca 0.51 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3h88 s LEU 87 Cb -0.17 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.25 3h88 s LEU 87 CO 0.22 0.12 -0.19 -0.22 0.23 0.00 0.00 176.35 176.52 3h88 s LEU 88 N -0.96 2.23 -0.06 1.79 2.96 -1.26 -1.10 118.68 122.28 3h88 s LEU 88 Ca 0.05 -0.58 0.06 0.00 -0.22 0.00 0.00 54.13 53.44 3h88 s LEU 88 Cb -0.08 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 3h88 s LEU 88 CO 0.01 0.05 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.22 3h88 s ILE 89 N 0.99 2.04 0.07 6.68 1.09 -0.36 -4.92 121.20 126.78 3h88 s ILE 89 Ca -0.03 -1.05 -0.04 0.00 -1.10 0.00 0.00 60.65 58.43 3h88 s ILE 89 Cb -0.15 -1.73 -0.05 0.00 -1.06 0.00 0.00 42.46 39.48 3h88 s ILE 89 CO -0.05 0.56 0.30 -0.76 -0.10 0.00 0.00 174.94 174.90 3h88 s LEU 90 N -0.10 4.33 0.00 2.97 1.02 -1.26 -1.00 118.68 124.64 3h88 s LEU 90 Ca -0.05 0.51 0.04 0.00 0.02 0.00 0.00 54.13 54.64 3h88 s LEU 90 Cb -0.14 -3.00 -0.01 0.00 0.02 0.00 0.00 46.19 43.06 3h88 s LEU 90 CO 0.04 0.15 0.34 -1.54 0.02 0.00 0.00 176.35 175.37 3h88 n SER 91 N 0.51 -0.92 0.00 2.29 3.41 0.44 -4.66 113.62 114.70 3h88 n SER 91 Ca -0.06 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 3h88 n SER 91 Cb 0.52 1.91 0.00 0.00 -0.26 0.00 0.00 64.21 66.38 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 -0.57 1.14 0.31 5.00 0.00 -1.26 -1.83 105.19 107.97 3h88 n GLY 92 Ca 0.05 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 0.40 -0.69 1.61 5.75 -1.95 -2.17 115.11 118.06 3h88 h GLN 93 Ca 0.00 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 3h88 h GLN 93 Cb 0.00 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 3h88 h GLN 93 CO 0.00 0.26 0.29 0.00 -2.65 0.00 0.00 178.83 176.74 3h88 h ALA 94 N 1.79 0.89 -0.28 3.38 0.00 -1.81 -0.49 119.26 122.74 3h88 h ALA 94 Ca 0.14 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3h88 h ALA 94 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3h88 h ALA 94 CO -0.03 0.50 -0.36 0.00 0.00 0.00 0.00 179.25 179.35 3h88 h ALA 95 N 1.13 0.84 0.10 0.00 0.00 -0.90 -0.96 119.26 119.47 3h88 h ALA 95 Ca 0.23 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h88 h ALA 95 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3h88 h ALA 95 CO -0.02 0.64 -0.05 1.49 0.00 0.00 0.00 179.25 181.31 3h88 h GLU 96 N 0.54 -0.13 -0.42 0.00 4.57 -1.12 -1.36 114.58 116.65 3h88 h GLU 96 Ca 0.05 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3h88 h GLU 96 Cb 0.87 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 3h88 h GLU 96 CO 0.08 -0.04 0.19 -0.07 -1.18 0.00 0.00 179.01 177.98 3h88 h LEU 97 N -0.17 0.57 -1.17 1.64 3.38 -1.06 -1.88 115.31 116.61 3h88 h LEU 97 Ca -0.01 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.92 3h88 h LEU 97 Cb 0.14 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3h88 h LEU 97 CO 0.02 0.55 0.59 0.00 0.09 0.00 0.00 178.44 179.70 3h88 h ALA 98 N 1.03 1.64 -0.16 1.53 0.00 -1.11 0.44 119.26 122.63 3h88 h ALA 98 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 98 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3h88 h ALA 98 CO -0.02 0.16 -0.72 0.66 0.00 0.00 0.00 179.25 179.33 3h88 h SER 99 N 0.88 0.85 -0.78 0.00 4.64 -0.92 0.56 113.55 118.79 3h88 h SER 99 Ca 0.44 -0.53 0.03 0.00 -0.47 0.00 0.00 61.79 61.25 3h88 h SER 99 Cb 0.47 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 3h88 h SER 99 CO -0.20 1.32 0.50 1.56 -0.87 0.00 0.00 176.83 179.14 3h88 h GLN 100 N 0.51 0.94 0.00 4.77 4.20 -0.61 -1.42 115.11 123.50 3h88 h GLN 100 Ca -0.03 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3h88 h GLN 100 Cb 1.33 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3h88 h GLN 100 CO 0.14 0.63 0.00 1.28 -0.67 0.00 0.00 178.83 180.21 3h88 n LEU 101 N -4.60 0.00 -2.17 1.46 4.77 0.08 -4.90 117.00 111.64 3h88 n LEU 101 Ca 0.09 0.12 -0.18 0.00 -0.03 0.00 0.00 56.01 56.01 3h88 n LEU 101 Cb 0.08 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3h88 n LEU 101 CO 0.34 -0.04 -0.14 0.00 -1.33 0.00 0.00 177.39 176.22 3h88 n GLN 102 N -1.12 -2.38 -1.86 3.23 6.02 -0.54 -4.87 117.38 115.86 3h88 n GLN 102 Ca 0.13 0.80 -0.42 0.00 -0.01 0.00 0.00 57.00 57.50 3h88 n GLN 102 Cb 0.11 -5.28 -0.03 0.00 1.02 0.00 0.00 30.24 26.05 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 -2.94 2.65 -0.01 5.09 1.01 0.11 -4.40 120.40 121.91 3h88 s VAL 103 Ca 0.09 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.44 3h88 s VAL 103 Cb -0.04 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3h88 s VAL 103 CO 0.12 0.01 0.07 -0.62 0.00 0.00 0.00 175.10 174.68 3h88 n GLU 104 N 4.77 0.67 -3.85 2.72 1.02 0.63 -4.83 120.64 121.77 3h88 n GLU 104 Ca 0.15 -0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 57.13 3h88 n GLU 104 Cb 0.39 -1.09 -0.15 0.00 -0.02 0.00 0.00 31.44 30.57 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 -2.58 0.11 -0.07 1.62 -0.87 -0.94 -5.04 114.94 107.17 3h88 s ASN 105 Ca -0.01 0.01 0.05 0.00 -1.57 0.00 0.00 52.86 51.33 3h88 s ASN 105 Cb 0.02 -0.06 -0.00 0.00 -0.02 0.00 0.00 41.25 41.19 3h88 s ASN 105 CO 0.15 -0.06 -0.21 -0.63 -2.57 0.00 0.00 177.10 173.78 3h88 s ILE 106 N 0.56 1.78 -0.03 0.60 1.01 -1.26 -1.03 121.20 122.82 3h88 s ILE 106 Ca -0.05 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.76 3h88 s ILE 106 Cb -0.07 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 3h88 s ILE 106 CO -0.01 0.50 -0.18 -1.00 0.00 0.00 0.00 174.94 174.24 3h88 s HIS 107 N 0.13 1.75 -0.01 3.97 3.76 0.26 -4.82 115.29 120.33 3h88 s HIS 107 Ca -0.09 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 3h88 s HIS 107 Cb -0.15 -1.16 0.00 0.00 1.11 0.00 0.00 32.58 32.39 3h88 s HIS 107 CO 0.05 -0.11 -0.02 -1.17 -0.85 0.00 0.00 174.74 172.63 3h88 s LEU 108 N -0.17 1.82 0.04 0.89 2.96 -1.26 -0.72 118.68 122.24 3h88 s LEU 108 Ca 0.01 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 3h88 s LEU 108 Cb -0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 46.19 46.41 3h88 s LEU 108 CO 0.01 0.00 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.40 3h88 s SER 109 N 0.17 1.10 0.06 3.68 0.15 -0.64 -4.67 113.70 113.55 3h88 s SER 109 Ca -0.01 -0.50 0.04 0.00 0.70 0.00 0.00 55.95 56.18 3h88 s SER 109 Cb -0.04 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.23 3h88 s SER 109 CO -0.00 -0.11 -0.12 -0.63 1.20 0.00 0.00 173.24 173.57 3h88 s ILE 110 N -1.14 0.92 -0.04 6.45 1.01 -1.26 -1.60 121.20 125.54 3h88 s ILE 110 Ca -0.05 -1.22 -0.14 0.00 0.00 0.00 0.00 60.65 59.23 3h88 s ILE 110 Cb -0.09 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.49 3h88 s ILE 110 CO 0.01 -0.27 0.32 -0.55 0.00 0.00 0.00 174.94 174.45 3h88 s SER 111 N -1.67 -0.24 0.03 3.58 0.15 -1.26 -5.00 113.70 109.29 3h88 s SER 111 Ca -0.05 0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.85 3h88 s SER 111 Cb -0.10 0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 64.60 3h88 s SER 111 CO 0.02 -0.37 -0.05 1.51 1.20 0.00 0.00 173.24 175.55 3h88 s ASP 112 N -0.97 0.49 0.00 5.45 -4.77 -1.26 -4.44 116.67 111.17 3h88 s ASP 112 Ca -0.10 -0.57 0.00 0.00 -3.30 0.00 0.00 52.55 48.58 3h88 s ASP 112 Cb -0.05 0.09 0.00 0.00 -1.09 0.00 0.00 42.92 41.87 3h88 s ASP 112 CO 0.03 -0.29 0.00 -0.62 0.70 0.00 0.00 175.17 174.99 3h88 n GLU 113 N 1.40 3.90 -0.23 2.11 -0.58 0.22 -4.99 120.64 122.47 3h88 n GLU 113 Ca -0.23 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.47 3h88 n GLU 113 Cb 0.55 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 31.53 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 1.07 0.00 3.49 2.43 -2.03 -3.33 114.38 116.01 3h88 h ARG 114 Ca 0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3h88 h ARG 114 Cb 0.00 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3h88 h ARG 114 CO 0.00 0.89 -1.33 0.72 -1.51 0.00 0.00 179.97 178.74 3h88 n HIS 115 N -4.27 0.00 -4.49 2.20 8.25 -1.26 -4.91 115.22 110.74 3h88 n HIS 115 Ca 0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.32 3h88 n HIS 115 Cb 0.20 -0.18 -0.15 0.00 1.12 0.00 0.00 29.99 30.99 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 -2.54 1.09 0.48 4.41 2.02 -1.25 -1.35 117.35 120.21 3h88 s TYR 116 Ca -0.03 -0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.49 3h88 s TYR 116 Cb 0.05 -0.69 -0.01 0.00 -0.40 0.00 0.00 41.96 40.92 3h88 s TYR 116 CO 0.35 -0.01 0.25 0.00 -1.57 0.00 0.00 175.55 174.57 3h88 s ALA 117 N -0.41 4.03 -0.25 3.71 0.00 -0.43 -0.61 121.76 127.79 3h88 s ALA 117 Ca 0.04 -1.48 -0.34 0.00 0.00 0.00 0.00 51.96 50.18 3h88 s ALA 117 Cb -0.05 -0.49 0.16 0.00 0.00 0.00 0.00 23.12 22.75 3h88 s ALA 117 CO -0.00 -0.25 1.31 0.00 0.00 0.00 0.00 175.76 176.81 3h88 s ALA 119 N -2.70 -2.13 0.01 0.00 0.00 -0.28 -0.12 121.76 116.54 3h88 s ALA 119 Ca 0.33 1.81 0.02 0.00 0.00 0.00 0.00 51.96 54.12 3h88 s ALA 119 Cb 0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 3h88 s ALA 119 CO 0.19 -0.44 -0.07 0.99 0.00 0.00 0.00 175.76 176.43 3h88 s THR 120 N -1.73 0.53 -0.01 0.00 2.01 -0.63 -1.23 115.64 114.59 3h88 s THR 120 Ca 0.09 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.66 3h88 s THR 120 Cb -0.01 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 3h88 s THR 120 CO -0.05 0.02 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.09 3h88 s VAL 121 N -0.44 0.97 -0.05 3.82 1.01 0.23 -1.62 120.40 124.32 3h88 s VAL 121 Ca -0.00 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3h88 s VAL 121 Cb -0.04 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.53 3h88 s VAL 121 CO -0.00 0.25 -0.13 -0.63 0.00 0.00 0.00 175.10 174.59 3h88 s ILE 122 N -0.33 1.18 -0.14 2.22 1.01 0.10 -1.22 121.20 124.03 3h88 s ILE 122 Ca 0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 3h88 s ILE 122 Cb -0.05 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 3h88 s ILE 122 CO -0.00 0.36 -0.08 -0.76 0.00 0.00 0.00 174.94 174.46 3h88 s LEU 123 N 0.34 3.04 0.11 2.97 1.43 -0.52 -0.57 118.68 125.49 3h88 s LEU 123 Ca -0.09 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 3h88 s LEU 123 Cb -0.13 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3h88 s LEU 123 CO 0.03 0.19 -0.17 -1.83 0.23 0.00 0.00 176.35 174.79 3h88 s GLU 124 N 0.24 1.06 0.00 1.70 -1.05 -0.20 -0.02 118.70 120.43 3h88 s GLU 124 Ca -0.05 -1.19 0.06 0.00 -0.15 0.00 0.00 54.97 53.63 3h88 s GLU 124 Cb -0.14 -1.11 0.04 0.00 -0.44 0.00 0.00 34.13 32.48 3h88 s GLU 124 CO 0.04 0.24 0.68 2.89 0.95 0.00 0.00 175.26 180.05