#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 3.03 -0.08 0.00 1.01 -1.26 -4.92 121.20 118.99 3h88 s ILE 2 Ca 0.00 -0.61 0.14 0.00 0.00 0.00 0.00 60.65 60.18 3h88 s ILE 2 Cb 0.00 -2.35 -0.14 0.00 0.01 0.00 0.00 42.46 39.98 3h88 s ILE 2 CO 0.00 0.46 0.91 0.58 0.00 0.00 0.00 174.94 176.89 3h88 h VAL 3 N 5.73 0.77 -1.33 2.92 2.07 -1.09 -3.48 116.25 121.85 3h88 h VAL 3 Ca -0.41 -2.38 0.15 0.00 0.82 0.00 0.00 66.70 64.89 3h88 h VAL 3 Cb 1.16 2.28 -0.26 0.00 -1.52 0.00 0.00 31.29 32.96 3h88 h VAL 3 CO 0.61 0.44 0.72 -0.83 0.02 0.00 0.00 177.57 178.53 3h88 s GLY 4 N -4.83 -0.08 -0.01 2.17 0.00 -1.16 -4.95 107.32 98.45 3h88 s GLY 4 Ca -0.02 2.47 0.02 0.00 0.00 0.00 0.00 44.72 47.19 3h88 s GLY 4 CO 0.81 1.16 -0.07 -2.27 0.00 0.00 0.00 173.10 172.72 3h88 s LEU 5 N -0.93 1.96 -0.03 0.66 2.96 -1.25 -1.15 118.68 120.89 3h88 s LEU 5 Ca 0.03 -0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 3h88 s LEU 5 Cb -0.01 -0.39 0.01 0.00 0.50 0.00 0.00 46.19 46.29 3h88 s LEU 5 CO -0.04 0.08 0.12 -0.83 -1.32 0.00 0.00 176.35 174.37 3h88 s GLY 6 N -0.08 -0.04 0.05 7.98 0.00 -0.40 -3.63 107.32 111.20 3h88 s GLY 6 Ca 0.02 0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.91 3h88 s GLY 6 CO -0.00 0.11 -0.03 -1.08 0.00 0.00 0.00 173.10 172.09 3h88 s THR 7 N -0.39 0.22 -0.25 0.90 -1.32 -1.26 -1.14 115.64 112.40 3h88 s THR 7 Ca -0.05 -1.67 -0.26 0.00 -1.21 0.00 0.00 61.69 58.50 3h88 s THR 7 Cb -0.03 -1.33 0.08 0.00 -1.51 0.00 0.00 72.50 69.71 3h88 s THR 7 CO 0.00 -0.92 0.76 -0.62 -2.21 0.00 0.00 174.62 171.64 3h88 s ASP 8 N -2.70 -0.70 -0.07 8.08 2.15 -0.23 -4.45 116.67 118.75 3h88 s ASP 8 Ca 0.04 1.29 0.05 0.00 0.43 0.00 0.00 52.55 54.35 3h88 s ASP 8 Cb 0.05 1.29 -0.00 0.00 -0.30 0.00 0.00 42.92 43.96 3h88 s ASP 8 CO -0.08 -0.27 -0.22 -0.51 -0.17 0.00 0.00 175.17 173.92 3h88 s ILE 9 N 0.20 1.82 -0.04 4.11 2.07 -1.26 -0.99 121.20 127.11 3h88 s ILE 9 Ca -0.01 -0.91 0.05 0.00 -1.41 0.00 0.00 60.65 58.37 3h88 s ILE 9 Cb -0.04 -1.57 -0.01 0.00 0.13 0.00 0.00 42.46 40.97 3h88 s ILE 9 CO 0.01 0.51 -0.18 0.00 -1.91 0.00 0.00 174.94 173.37 3h88 s ALA 10 N 0.15 1.59 -0.31 1.50 0.00 0.87 -4.99 121.76 120.57 3h88 s ALA 10 Ca -0.10 -0.75 -0.27 0.00 0.00 0.00 0.00 51.96 50.84 3h88 s ALA 10 Cb -0.15 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.48 3h88 s ALA 10 CO 0.05 0.31 0.96 -2.00 0.00 0.00 0.00 175.76 175.09 3h88 s GLU 11 N -0.07 4.03 0.20 0.00 2.12 -1.26 -1.02 118.70 122.70 3h88 s GLU 11 Ca -0.02 0.90 -0.10 0.00 0.36 0.00 0.00 54.97 56.11 3h88 s GLU 11 Cb -0.11 -3.73 0.12 0.00 0.26 0.00 0.00 34.13 30.68 3h88 s GLU 11 CO 0.02 -0.81 1.78 0.82 -0.54 0.00 0.00 175.26 176.53 3h88 h ILE 12 N 5.67 1.24 -0.91 -3.70 2.04 -1.49 -2.73 117.51 117.63 3h88 h ILE 12 Ca -0.22 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.04 3h88 h ILE 12 Cb 1.07 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 3h88 h ILE 12 CO 0.97 0.28 0.59 -0.08 0.00 0.00 0.00 178.15 179.91 3h88 h GLU 13 N 0.99 0.98 -0.13 2.37 4.81 -1.92 -0.58 114.58 121.10 3h88 h GLU 13 Ca 0.24 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 3h88 h GLU 13 Cb 0.13 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3h88 h GLU 13 CO -0.03 0.65 -0.31 0.00 -0.73 0.00 0.00 179.01 178.58 3h88 h ARG 14 N 1.01 0.25 -0.30 1.92 3.08 -1.87 -0.40 114.38 118.07 3h88 h ARG 14 Ca 0.40 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.30 3h88 h ARG 14 Cb 0.23 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3h88 h ARG 14 CO -0.15 0.55 -0.01 0.28 -1.07 0.00 0.00 179.97 179.56 3h88 h VAL 15 N 0.22 1.26 -0.53 2.04 2.07 -1.25 -2.03 116.25 118.04 3h88 h VAL 15 Ca 0.03 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.59 3h88 h VAL 15 Cb 0.67 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3h88 h VAL 15 CO 0.05 0.31 0.34 -0.33 0.02 0.00 0.00 177.57 177.96 3h88 h GLU 16 N 0.32 0.67 -0.83 1.57 5.08 -0.75 -1.27 114.58 119.37 3h88 h GLU 16 Ca 0.08 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3h88 h GLU 16 Cb 0.46 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3h88 h GLU 16 CO 0.02 0.44 0.40 0.87 -1.00 0.00 0.00 179.01 179.74 3h88 h LYS 17 N 0.69 1.19 -0.83 2.33 1.57 -1.05 -1.01 116.57 119.45 3h88 h LYS 17 Ca 0.20 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3h88 h LYS 17 Cb -0.05 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.00 3h88 h LYS 17 CO -0.06 0.91 0.52 0.00 -0.57 0.00 0.00 179.45 180.26 3h88 h ALA 18 N 1.21 1.35 -0.24 3.86 0.00 -0.88 -1.97 119.26 122.59 3h88 h ALA 18 Ca 0.28 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3h88 h ALA 18 Cb 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3h88 h ALA 18 CO -0.04 0.58 -0.44 -0.07 0.00 0.00 0.00 179.25 179.28 3h88 h LEU 19 N 1.14 0.65 -1.33 0.00 3.38 -0.78 0.39 115.31 118.76 3h88 h LEU 19 Ca 0.30 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3h88 h LEU 19 Cb -0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3h88 h LEU 19 CO -0.06 1.00 -0.33 0.00 0.09 0.00 0.00 178.44 179.15 3h88 h ALA 20 N 1.03 1.31 0.02 1.53 0.00 -0.86 0.00 119.26 122.29 3h88 h ALA 20 Ca 0.03 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 3h88 h ALA 20 Cb 0.97 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3h88 h ALA 20 CO 0.09 0.41 -0.75 0.00 0.00 0.00 0.00 179.25 178.99 3h88 h ARG 21 N 0.00 0.04 0.00 0.00 3.08 -1.07 -3.44 114.38 113.00 3h88 h ARG 21 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3h88 h ARG 21 Cb 0.63 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3h88 h ARG 21 CO 0.04 1.03 0.00 0.43 -1.07 0.00 0.00 179.97 180.41 3h88 n SER 22 N -4.43 0.16 0.00 7.04 7.64 0.10 -5.06 113.62 119.08 3h88 n SER 22 Ca -0.22 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.11 3h88 n SER 22 Cb 0.63 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 64.60 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 0.77 3.33 0.21 0.23 0.00 -0.02 -1.57 105.19 108.14 3h88 n GLY 23 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 0.06 -0.84 1.61 4.57 -1.95 -0.64 114.58 117.39 3h88 h GLU 24 Ca 0.00 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3h88 h GLU 24 Cb 0.00 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 3h88 h GLU 24 CO 0.00 0.35 0.55 -0.91 -1.18 0.00 0.00 179.01 177.82 3h88 h ASN 25 N 0.06 0.91 0.01 1.04 2.35 -1.71 0.25 115.58 118.49 3h88 h ASN 25 Ca 0.01 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3h88 h ASN 25 Cb 0.54 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3h88 h ASN 25 CO 0.04 0.64 -0.00 0.15 -1.65 0.00 0.00 177.43 176.60 3h88 h PHE 26 N 1.07 -0.01 -1.00 1.19 3.57 -1.21 -3.16 116.94 117.39 3h88 h PHE 26 Ca 0.33 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.89 3h88 h PHE 26 Cb -0.01 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 3h88 h PHE 26 CO -0.00 0.76 0.64 0.00 -2.23 0.00 0.00 178.31 177.48 3h88 h ALA 27 N 0.17 1.39 0.00 2.41 0.00 -0.94 -2.03 119.26 120.26 3h88 h ALA 27 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 27 Cb 0.77 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3h88 h ALA 27 CO 0.00 0.42 -0.19 0.00 0.00 0.00 0.00 179.25 179.48 3h88 h ARG 28 N 1.16 0.00 -0.24 0.00 3.08 -1.05 0.11 114.38 117.44 3h88 h ARG 28 Ca 0.43 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.44 3h88 h ARG 28 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3h88 h ARG 28 CO -0.18 0.19 -0.06 0.00 -1.07 0.00 0.00 179.97 178.86 3h88 h ARG 29 N 0.00 0.37 0.07 0.04 3.08 -1.32 -3.31 114.38 113.30 3h88 h ARG 29 Ca -0.00 -0.08 -0.36 0.00 0.07 0.00 0.00 59.98 59.61 3h88 h ARG 29 Cb 0.66 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 3h88 h ARG 29 CO 0.03 0.44 -2.14 -0.89 -1.07 0.00 0.00 179.97 176.34 3h88 n ILE 30 N -4.29 1.65 -4.09 2.04 2.08 -0.73 -4.58 119.36 111.44 3h88 n ILE 30 Ca 0.00 -0.66 -0.36 0.00 0.56 0.00 0.00 62.75 62.30 3h88 n ILE 30 Cb 0.25 -1.47 -0.07 0.00 -0.75 0.00 0.00 39.64 37.59 3h88 n ILE 30 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3h88 s LEU 31 N -6.67 4.03 0.55 1.39 1.43 -0.05 -4.47 118.68 114.88 3h88 s LEU 31 Ca -0.23 0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.97 3h88 s LEU 31 Cb 0.07 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 3h88 s LEU 31 CO 0.73 0.37 1.15 0.42 0.23 0.00 0.00 176.35 179.26 3h88 s THR 32 N -1.01 3.02 0.40 5.49 -4.23 -1.26 -4.63 115.64 113.42 3h88 s THR 32 Ca 0.16 0.64 0.27 0.00 -1.18 0.00 0.00 61.69 61.59 3h88 s THR 32 Cb -0.12 -3.27 0.43 0.00 1.34 0.00 0.00 72.50 70.89 3h88 s THR 32 CO 0.05 -0.13 1.50 0.47 -0.54 0.00 0.00 174.62 175.97 3h88 n ASP 33 N -1.31 0.24 0.09 3.99 8.00 -1.26 -0.12 116.55 126.18 3h88 n ASP 33 Ca 0.12 1.41 -0.13 0.00 0.71 0.00 0.00 54.79 56.90 3h88 n ASP 33 Cb 0.50 -0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 40.83 3h88 n ASP 33 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3h88 h SER 34 N 0.00 0.37 0.98 -2.24 0.87 -2.03 -2.90 113.55 108.59 3h88 h SER 34 Ca 0.83 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 3h88 h SER 34 Cb 2.53 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 64.38 3h88 h SER 34 CO -0.54 1.20 0.00 -0.33 -0.53 0.00 0.00 176.83 176.63 3h88 h GLU 35 N 0.11 0.00 -0.96 2.24 5.08 -0.87 -3.22 114.58 116.97 3h88 h GLU 35 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3h88 h GLU 35 Cb 1.74 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.94 3h88 h GLU 35 CO 0.17 0.00 0.61 -0.07 -1.00 0.00 0.00 179.01 178.72 3h88 h LEU 36 N 0.00 1.12 -0.55 1.33 3.38 -1.16 -2.10 115.31 117.33 3h88 h LEU 36 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h88 h LEU 36 Cb 0.49 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3h88 h LEU 36 CO 0.00 0.83 0.36 -0.08 0.09 0.00 0.00 178.44 179.64 3h88 h GLU 37 N 1.31 0.73 -0.09 1.13 4.81 -1.69 0.33 114.58 121.10 3h88 h GLU 37 Ca 0.35 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 3h88 h GLU 37 Cb -0.11 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 3h88 h GLU 37 CO -0.07 0.49 -0.53 0.37 -0.73 0.00 0.00 179.01 178.54 3h88 h GLN 38 N 0.75 0.25 -0.35 1.92 4.15 -1.68 -2.79 115.11 117.36 3h88 h GLN 38 Ca 0.20 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3h88 h GLN 38 Cb -0.08 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3h88 h GLN 38 CO -0.04 0.72 0.09 0.35 -1.93 0.00 0.00 178.83 178.01 3h88 h PHE 39 N 0.20 0.58 0.00 3.99 3.57 -0.63 -2.68 116.94 121.97 3h88 h PHE 39 Ca 0.00 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3h88 h PHE 39 Cb 1.00 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 3h88 h PHE 39 CO 0.02 0.59 -0.03 0.45 -2.23 0.00 0.00 178.31 177.10 3h88 h HIS 40 N 0.41 0.00 0.00 0.41 3.86 -0.26 -1.56 115.15 118.01 3h88 h HIS 40 Ca 0.11 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3h88 h HIS 40 Cb 0.30 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 3h88 h HIS 40 CO 0.02 0.03 -0.16 0.00 0.86 0.00 0.00 177.93 178.67 3h88 h ALA 41 N 1.97 0.91 -2.98 2.45 0.00 -1.21 -3.46 119.26 116.94 3h88 h ALA 41 Ca -0.00 -0.07 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 3h88 h ALA 41 Cb 0.06 -0.01 0.13 0.00 0.00 0.00 0.00 17.79 17.98 3h88 h ALA 41 CO 0.00 0.10 0.53 0.45 0.00 0.00 0.00 179.25 180.33 3h88 s SER 42 N -6.17 5.04 0.00 0.00 0.15 -0.59 -4.92 113.70 107.21 3h88 s SER 42 Ca 0.06 2.58 0.19 0.00 0.70 0.00 0.00 55.95 59.48 3h88 s SER 42 Cb 0.06 -2.62 0.43 0.00 -1.71 0.00 0.00 66.02 62.18 3h88 s SER 42 CO 0.69 -1.71 1.35 0.29 1.20 0.00 0.00 173.24 175.07 3h88 n LYS 43 N -1.49 2.49 -3.18 5.44 5.02 -1.26 -4.47 118.16 120.71 3h88 n LYS 43 Ca 0.13 -2.24 -0.18 0.00 -2.02 0.00 0.00 58.31 54.00 3h88 n LYS 43 Cb 0.48 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 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 1.22 0.97 -0.11 1.97 6.02 -1.26 -5.00 117.38 121.20 3h88 n GLN 44 Ca 0.18 -3.33 -0.03 0.00 -0.01 0.00 0.00 57.00 53.80 3h88 n GLN 44 Cb 0.54 -1.69 0.19 0.00 1.02 0.00 0.00 30.24 30.30 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 3.00 0.78 -0.71 -1.09 4.20 -1.89 -1.18 115.11 118.23 3h88 h GLN 45 Ca 0.09 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.63 3h88 h GLN 45 Cb 0.97 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.61 3h88 h GLN 45 CO 0.49 0.75 0.46 0.78 -0.67 0.00 0.00 178.83 180.64 3h88 h GLY 46 N 0.96 1.00 1.07 3.46 0.00 -1.94 -0.08 103.07 107.53 3h88 h GLY 46 Ca 0.15 -0.36 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 3h88 h GLY 46 CO 0.01 0.34 -0.34 3.21 0.00 0.00 0.00 176.54 179.76 3h88 h ARG 47 N 0.93 0.86 -0.10 4.80 3.08 -1.81 -0.37 114.38 121.77 3h88 h ARG 47 Ca 0.27 -0.45 0.04 0.00 0.07 0.00 0.00 59.98 59.91 3h88 h ARG 47 Cb -0.08 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 3h88 h ARG 47 CO -0.07 1.09 -0.21 0.35 -1.07 0.00 0.00 179.97 180.06 3h88 h PHE 48 N 0.66 -0.55 -0.47 3.04 3.57 -1.07 -2.47 116.94 119.65 3h88 h PHE 48 Ca 0.06 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 3h88 h PHE 48 Cb 0.93 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 3h88 h PHE 48 CO 0.07 -0.29 -0.13 1.25 -2.23 0.00 0.00 178.31 176.97 3h88 h LEU 49 N -0.28 0.88 -0.98 0.59 5.85 -0.91 -2.54 115.31 117.92 3h88 h LEU 49 Ca 0.09 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.53 3h88 h LEU 49 Cb 0.41 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3h88 h LEU 49 CO -0.26 1.01 0.65 0.00 -0.34 0.00 0.00 178.44 179.50 3h88 h ALA 50 N 1.06 1.24 -0.52 1.25 0.00 -0.88 0.11 119.26 121.52 3h88 h ALA 50 Ca 0.12 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 50 Cb 0.66 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3h88 h ALA 50 CO 0.05 0.63 -0.13 0.87 0.00 0.00 0.00 179.25 180.67 3h88 h LYS 51 N 1.33 0.99 -0.50 0.00 1.57 -1.30 -1.52 116.57 117.14 3h88 h LYS 51 Ca 0.36 -0.37 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3h88 h LYS 51 Cb -0.15 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3h88 h LYS 51 CO -0.08 1.05 -0.09 0.00 -0.57 0.00 0.00 179.45 179.76 3h88 h ARG 52 N 0.88 0.94 -0.15 3.15 2.47 -1.08 -1.24 114.38 119.35 3h88 h ARG 52 Ca 0.13 -0.35 0.03 0.00 -1.26 0.00 0.00 59.98 58.54 3h88 h ARG 52 Cb 0.69 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.92 3h88 h ARG 52 CO 0.05 1.01 -0.02 0.35 0.56 0.00 0.00 179.97 181.92 3h88 h PHE 53 N 0.80 -0.04 -0.37 3.04 3.57 -0.62 -0.37 116.94 122.94 3h88 h PHE 53 Ca 0.13 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3h88 h PHE 53 Cb 0.64 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3h88 h PHE 53 CO 0.05 -0.04 0.24 0.00 -2.23 0.00 0.00 178.31 176.33 3h88 h ALA 54 N 1.14 0.47 -0.26 2.41 0.00 -1.16 -1.04 119.26 120.82 3h88 h ALA 54 Ca 0.07 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3h88 h ALA 54 Cb 0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3h88 h ALA 54 CO -0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 179.25 178.98 3h88 h ALA 55 N 1.14 0.18 -0.35 0.00 0.00 -0.96 -0.52 119.26 118.75 3h88 h ALA 55 Ca 0.14 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 3h88 h ALA 55 Cb -0.05 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3h88 h ALA 55 CO -0.03 -0.46 -0.34 0.87 0.00 0.00 0.00 179.25 179.28 3h88 h LYS 56 N 0.01 0.78 -0.54 0.00 1.57 -0.87 -0.84 116.57 116.67 3h88 h LYS 56 Ca 0.12 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 3h88 h LYS 56 Cb 0.19 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3h88 h LYS 56 CO -0.26 1.00 -0.03 0.93 -0.57 0.00 0.00 179.45 180.52 3h88 h GLU 57 N 0.65 0.99 -0.65 3.15 5.08 -1.04 -0.78 114.58 121.99 3h88 h GLU 57 Ca 0.07 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3h88 h GLU 57 Cb 0.88 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 3h88 h GLU 57 CO 0.08 1.01 0.42 0.00 -1.00 0.00 0.00 179.01 179.51 3h88 h ALA 58 N 0.95 0.82 -0.84 3.43 0.00 -1.02 -1.33 119.26 121.27 3h88 h ALA 58 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3h88 h ALA 58 Cb 0.58 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3h88 h ALA 58 CO 0.03 0.27 0.44 0.00 0.00 0.00 0.00 179.25 179.99 3h88 h ALA 59 N 1.22 1.07 -0.09 0.00 0.00 -0.78 -0.21 119.26 120.47 3h88 h ALA 59 Ca 0.23 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3h88 h ALA 59 Cb -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3h88 h ALA 59 CO -0.05 0.61 -0.38 0.66 0.00 0.00 0.00 179.25 180.09 3h88 h SER 60 N 1.17 0.19 -0.22 0.00 4.64 -0.95 -1.54 113.55 116.84 3h88 h SER 60 Ca 0.29 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.39 3h88 h SER 60 Cb 0.07 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3h88 h SER 60 CO -0.04 0.56 -0.45 0.11 -0.87 0.00 0.00 176.83 176.14 3h88 h LYS 61 N 0.16 0.69 -0.32 4.77 1.57 -0.66 -0.27 116.57 122.51 3h88 h LYS 61 Ca 0.02 -0.45 0.09 0.00 -1.87 0.00 0.00 60.65 58.44 3h88 h LYS 61 Cb 0.75 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3h88 h LYS 61 CO 0.06 1.07 0.24 0.00 -0.57 0.00 0.00 179.45 180.24 3h88 h ALA 62 N 0.62 2.24 0.00 3.86 0.00 -0.31 -0.23 119.26 125.44 3h88 h ALA 62 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h88 h ALA 62 Cb 1.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3h88 h ALA 62 CO 0.10 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.23 3h88 n LEU 63 N -4.33 0.83 0.00 0.00 4.77 -0.65 -3.92 117.00 113.70 3h88 n LEU 63 Ca 0.05 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 3h88 n LEU 63 Cb 0.41 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3h88 n LEU 63 CO 0.34 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 3h88 n GLY 64 N 1.25 0.74 0.01 -0.72 0.00 -0.10 -4.92 105.19 101.45 3h88 n GLY 64 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.15 0.14 -4.45 2.61 -2.24 -1.10 -5.03 114.28 102.06 3h88 n THR 65 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3h88 n THR 65 Cb 0.00 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 2.53 -1.00 3.44 3.38 0.00 -0.13 -4.15 105.19 109.25 3h88 n GLY 66 Ca -0.04 -1.17 -0.44 0.00 0.00 0.00 0.00 46.02 44.38 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 4.93 -0.03 -0.61 -1.09 -1.26 -4.76 121.20 118.38 3h88 s ILE 67 Ca 0.00 -1.96 -0.30 0.00 -2.23 0.00 0.00 60.65 56.16 3h88 s ILE 67 Cb 0.00 -4.77 0.11 0.00 -1.58 0.00 0.00 42.46 36.22 3h88 s ILE 67 CO 0.00 -1.47 1.31 0.00 -1.23 0.00 0.00 174.94 173.55 3h88 s ALA 68 N 2.05 -2.42 -1.49 9.38 0.00 -1.01 -4.94 121.76 123.33 3h88 s ALA 68 Ca 0.33 0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 3h88 s ALA 68 Cb -0.05 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.71 3h88 s ALA 68 CO -0.07 -1.11 0.24 1.04 0.00 0.00 0.00 175.76 175.85 3h88 n GLN 69 N -0.72 -2.96 -0.10 0.00 1.13 -1.26 -0.91 117.38 112.56 3h88 n GLN 69 Ca -0.02 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 55.86 3h88 n GLN 69 Cb 0.61 -5.53 0.00 0.00 0.11 0.00 0.00 30.24 25.42 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 1.58 3.72 1.08 0.00 -1.26 -5.03 105.19 104.15 3h88 n GLY 70 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.68 4.83 0.27 1.61 1.01 -0.09 -4.55 120.40 120.80 3h88 s VAL 71 Ca 0.00 1.93 0.07 0.00 0.00 0.00 0.00 61.98 63.98 3h88 s VAL 71 Cb 0.00 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 3h88 s VAL 71 CO 0.00 0.21 -0.08 0.42 0.00 0.00 0.00 175.10 175.66 3h88 s THR 72 N 0.74 1.70 0.45 3.92 -4.23 -1.26 -2.42 115.64 114.55 3h88 s THR 72 Ca 0.48 -2.15 0.17 0.00 -1.18 0.00 0.00 61.69 59.01 3h88 s THR 72 Cb -0.21 -2.40 0.35 0.00 1.34 0.00 0.00 72.50 71.59 3h88 s THR 72 CO 0.26 -0.34 1.96 -0.26 -0.54 0.00 0.00 174.62 175.70 3h88 h PHE 73 N 2.31 0.35 0.00 3.99 0.04 -1.88 0.54 116.94 122.30 3h88 h PHE 73 Ca -0.40 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.38 3h88 h PHE 73 Cb 1.23 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.27 3h88 h PHE 73 CO 0.69 0.15 0.00 0.72 -0.60 0.00 0.00 178.31 179.27 3h88 n HIS 74 N -4.45 0.00 1.12 -0.55 8.25 -1.26 -2.38 115.22 115.94 3h88 n HIS 74 Ca 0.12 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.70 3h88 n HIS 74 Cb 0.49 -0.28 0.63 0.00 1.12 0.00 0.00 29.99 31.94 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 -1.28 0.00 -4.22 0.41 9.92 0.18 -4.73 116.55 116.83 3h88 n ASP 75 Ca 0.07 0.14 -0.30 0.00 -0.53 0.00 0.00 54.79 54.16 3h88 n ASP 75 Cb 0.11 -0.37 -0.17 0.00 -0.64 0.00 0.00 41.12 40.06 3h88 n ASP 75 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3h88 s PHE 76 N -2.74 2.26 -0.10 1.24 0.08 -1.00 -0.86 117.98 116.86 3h88 s PHE 76 Ca 0.20 -0.74 0.03 0.00 0.12 0.00 0.00 56.93 56.53 3h88 s PHE 76 Cb 0.18 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 41.13 3h88 s PHE 76 CO 0.43 -0.26 -0.18 0.99 -0.10 0.00 0.00 175.22 176.11 3h88 s THR 77 N 0.04 1.62 -0.14 0.64 2.01 -0.10 -4.76 115.64 114.96 3h88 s THR 77 Ca -0.08 -0.74 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 3h88 s THR 77 Cb -0.14 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 3h88 s THR 77 CO 0.05 0.46 0.19 -0.63 -0.69 0.00 0.00 174.62 174.00 3h88 s ILE 78 N 0.73 5.39 0.26 1.82 1.09 -1.26 -0.99 121.20 128.25 3h88 s ILE 78 Ca -0.12 0.33 0.03 0.00 -1.10 0.00 0.00 60.65 59.79 3h88 s ILE 78 Cb -0.16 -3.50 -0.01 0.00 -1.06 0.00 0.00 42.46 37.73 3h88 s ILE 78 CO 0.02 0.51 0.10 -1.20 -0.10 0.00 0.00 174.94 174.28 3h88 n SER 79 N 2.79 1.03 -4.00 3.58 7.64 0.52 -4.95 113.62 120.22 3h88 n SER 79 Ca -0.17 -2.41 -0.11 0.00 1.01 0.00 0.00 58.87 57.19 3h88 n SER 79 Cb 0.53 0.70 -0.12 0.00 -1.01 0.00 0.00 64.21 64.31 3h88 n SER 79 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3h88 s HIS 80 N -2.56 0.37 0.85 1.43 3.76 -1.26 0.13 115.29 118.01 3h88 s HIS 80 Ca 0.14 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.49 3h88 s HIS 80 Cb 0.01 -0.24 0.15 0.00 1.11 0.00 0.00 32.58 33.60 3h88 s HIS 80 CO 0.10 -0.13 1.18 0.16 -0.85 0.00 0.00 174.74 175.20 3h88 s ASP 81 N -1.32 3.82 0.49 1.40 1.47 -0.15 -4.92 116.67 117.46 3h88 s ASP 81 Ca -0.12 0.22 0.26 0.00 1.18 0.00 0.00 52.55 54.09 3h88 s ASP 81 Cb -0.09 -0.48 1.34 0.00 -0.34 0.00 0.00 42.92 43.34 3h88 s ASP 81 CO -0.00 -2.26 1.88 0.50 0.68 0.00 0.00 175.17 175.96 3h88 h LYS 82 N -1.16 0.14 -0.01 2.11 3.64 -2.02 -1.16 116.57 118.11 3h88 h LYS 82 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3h88 h LYS 82 Cb 1.27 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3h88 h LYS 82 CO 0.45 0.09 -0.30 1.28 -2.27 0.00 0.00 179.45 178.71 3h88 n LEU 83 N -4.37 1.12 0.00 5.20 4.77 -1.26 -4.95 117.00 117.51 3h88 n LEU 83 Ca 0.19 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3h88 n LEU 83 Cb 0.86 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3h88 n LEU 83 CO 0.35 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3h88 n GLY 84 N 1.36 0.55 3.73 -0.72 0.00 -0.44 -5.08 105.19 104.60 3h88 n GLY 84 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.74 4.27 0.32 1.61 2.20 -1.26 -4.74 119.74 121.40 3h88 s LYS 85 Ca 0.00 2.28 -0.24 0.00 -0.36 0.00 0.00 55.97 57.64 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 -0.46 0.91 -1.25 -0.36 0.00 0.00 175.35 174.19 3h88 s PRO 86 N 0.17 4.47 -0.04 4.03 0.04 -1.26 -0.98 135.00 141.44 3h88 s PRO 86 Ca 0.62 1.22 0.05 0.00 0.04 0.00 0.00 61.00 62.93 3h88 s PRO 86 Cb -0.41 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 3h88 s PRO 86 CO 0.39 0.25 -0.19 -0.51 0.04 0.00 0.00 177.00 176.98 3h88 s LEU 87 N -2.21 1.98 -0.17 -3.56 1.43 0.12 -4.62 118.68 111.65 3h88 s LEU 87 Ca 0.51 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 3h88 s LEU 87 Cb -0.17 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 3h88 s LEU 87 CO 0.22 0.20 -0.03 -0.22 0.23 0.00 0.00 176.35 176.75 3h88 s LEU 88 N -0.17 3.24 -0.06 1.79 2.96 -1.26 -0.36 118.68 124.82 3h88 s LEU 88 Ca 0.00 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3h88 s LEU 88 Cb -0.11 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 3h88 s LEU 88 CO 0.01 0.14 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.33 3h88 s ILE 89 N 0.55 1.86 0.09 6.68 1.01 -0.16 -4.94 121.20 126.29 3h88 s ILE 89 Ca -0.02 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.68 3h88 s ILE 89 Cb -0.14 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3h88 s ILE 89 CO 0.02 0.52 0.24 -0.76 0.00 0.00 0.00 174.94 174.96 3h88 s LEU 90 N -0.02 4.35 0.00 2.97 1.43 -1.26 -0.92 118.68 125.23 3h88 s LEU 90 Ca -0.06 0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 53.29 3h88 s LEU 90 Cb -0.14 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.13 3h88 s LEU 90 CO 0.04 0.13 0.22 -1.54 0.23 0.00 0.00 176.35 175.43 3h88 n SER 91 N 0.05 -0.60 0.00 2.29 3.41 -0.04 -4.68 113.62 114.05 3h88 n SER 91 Ca -0.05 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 3h88 n SER 91 Cb 0.52 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 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 -0.28 1.73 0.26 5.00 0.00 -1.26 -1.69 105.19 108.95 3h88 n GLY 92 Ca 0.01 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -0.27 1.61 5.75 -1.95 -2.49 115.11 117.77 3h88 h GLN 93 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3h88 h GLN 93 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3h88 h GLN 93 CO 0.00 0.11 0.09 0.00 -2.65 0.00 0.00 178.83 176.38 3h88 h ALA 94 N 1.89 0.35 -0.66 3.38 0.00 -1.75 -1.24 119.26 121.23 3h88 h ALA 94 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3h88 h ALA 94 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3h88 h ALA 94 CO 0.01 -0.03 0.10 0.00 0.00 0.00 0.00 179.25 179.34 3h88 h ALA 95 N 0.92 0.93 0.16 0.00 0.00 -0.90 -0.01 119.26 120.37 3h88 h ALA 95 Ca 0.09 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h88 h ALA 95 Cb 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3h88 h ALA 95 CO -0.00 0.66 -0.27 1.49 0.00 0.00 0.00 179.25 181.12 3h88 h GLU 96 N 1.02 -0.49 -0.75 0.00 4.57 -1.31 0.38 114.58 118.00 3h88 h GLU 96 Ca 0.20 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.47 3h88 h GLU 96 Cb 0.44 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 3h88 h GLU 96 CO 0.01 -0.33 0.45 -0.07 -1.18 0.00 0.00 179.01 177.89 3h88 h LEU 97 N -0.51 0.70 -1.06 1.64 3.38 -1.07 -0.93 115.31 117.47 3h88 h LEU 97 Ca 0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3h88 h LEU 97 Cb 0.52 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3h88 h LEU 97 CO -0.13 0.46 0.23 0.00 0.09 0.00 0.00 178.44 179.09 3h88 h ALA 98 N 1.35 1.25 -0.21 1.53 0.00 -0.69 -1.56 119.26 120.93 3h88 h ALA 98 Ca 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h88 h ALA 98 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h88 h ALA 98 CO -0.16 0.54 0.09 1.03 0.00 0.00 0.00 179.25 180.76 3h88 h SER 99 N 0.88 0.28 -1.01 0.00 0.87 0.36 -0.75 113.55 114.19 3h88 h SER 99 Ca 0.21 -0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3h88 h SER 99 Cb 0.20 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 3h88 h SER 99 CO -0.02 0.36 0.66 1.56 -0.53 0.00 0.00 176.83 178.86 3h88 h GLN 100 N 0.19 1.22 0.00 2.24 4.20 -0.83 0.15 115.11 122.28 3h88 h GLN 100 Ca 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h88 h GLN 100 Cb 0.16 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3h88 h GLN 100 CO -0.01 0.80 0.00 1.28 -0.67 0.00 0.00 178.83 180.24 3h88 n LEU 101 N -4.45 0.00 -1.74 1.46 4.77 -0.63 -4.91 117.00 111.49 3h88 n LEU 101 Ca 0.14 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 3h88 n LEU 101 Cb 0.11 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3h88 n LEU 101 CO 0.34 -0.01 -0.12 0.00 -1.33 0.00 0.00 177.39 176.27 3h88 n GLN 102 N -1.20 -1.83 -1.84 3.23 6.02 0.53 -4.84 117.38 117.46 3h88 n GLN 102 Ca 0.16 0.65 -0.42 0.00 -0.01 0.00 0.00 57.00 57.38 3h88 n GLN 102 Cb 0.19 -4.90 -0.03 0.00 1.02 0.00 0.00 30.24 26.52 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 -2.78 2.70 -0.02 5.09 1.01 -0.37 -3.02 120.40 123.01 3h88 s VAL 103 Ca 0.07 0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.39 3h88 s VAL 103 Cb -0.03 -3.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 3h88 s VAL 103 CO 0.08 0.01 0.09 -0.62 0.00 0.00 0.00 175.10 174.66 3h88 n GLU 104 N 5.20 1.17 -4.14 2.72 1.02 -0.41 -4.85 120.64 121.35 3h88 n GLU 104 Ca 0.16 -0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 57.10 3h88 n GLU 104 Cb 0.39 -1.14 -0.15 0.00 -0.02 0.00 0.00 31.44 30.52 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 -3.01 0.61 -0.05 1.62 0.01 -0.95 -5.04 114.94 108.14 3h88 s ASN 105 Ca -0.02 -0.09 0.04 0.00 -0.71 0.00 0.00 52.86 52.08 3h88 s ASN 105 Cb 0.03 -0.11 -0.00 0.00 0.41 0.00 0.00 41.25 41.58 3h88 s ASN 105 CO 0.24 0.04 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.06 3h88 s ILE 106 N 0.04 1.54 -0.02 0.60 1.01 -1.26 -1.30 121.20 121.81 3h88 s ILE 106 Ca -0.00 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.92 3h88 s ILE 106 Cb -0.04 -1.32 -0.00 0.00 0.01 0.00 0.00 42.46 41.11 3h88 s ILE 106 CO -0.00 0.44 -0.11 -1.00 0.00 0.00 0.00 174.94 174.27 3h88 s HIS 107 N 0.10 1.06 -0.05 3.97 3.76 -0.10 -4.85 115.29 119.18 3h88 s HIS 107 Ca -0.06 -0.24 -0.02 0.00 -0.15 0.00 0.00 55.06 54.58 3h88 s HIS 107 Cb -0.13 -0.72 0.03 0.00 1.11 0.00 0.00 32.58 32.87 3h88 s HIS 107 CO 0.03 -0.07 0.10 -1.17 -0.85 0.00 0.00 174.74 172.78 3h88 s LEU 108 N -0.01 1.07 0.04 0.89 2.96 -1.26 -0.66 118.68 121.71 3h88 s LEU 108 Ca -0.00 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 3h88 s LEU 108 Cb -0.07 0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.85 3h88 s LEU 108 CO 0.00 -0.11 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.25 3h88 s SER 109 N 0.82 1.47 0.04 3.68 0.15 -0.50 -4.68 113.70 114.69 3h88 s SER 109 Ca -0.06 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.19 3h88 s SER 109 Cb -0.09 -0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.12 3h88 s SER 109 CO -0.04 0.01 -0.12 -0.63 1.20 0.00 0.00 173.24 173.66 3h88 s ILE 110 N -0.85 0.92 -0.02 6.45 1.01 -1.26 -1.75 121.20 125.70 3h88 s ILE 110 Ca 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 3h88 s ILE 110 Cb -0.08 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.54 3h88 s ILE 110 CO 0.01 -0.12 0.25 -0.55 0.00 0.00 0.00 174.94 174.53 3h88 s SER 111 N -1.27 -0.14 0.03 3.58 0.15 -1.26 -5.01 113.70 109.79 3h88 s SER 111 Ca -0.02 0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 3h88 s SER 111 Cb -0.08 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.52 3h88 s SER 111 CO 0.01 -0.36 -0.02 1.51 1.20 0.00 0.00 173.24 175.58 3h88 s ASP 112 N -1.08 0.34 0.00 5.45 -4.77 -1.26 -4.47 116.67 110.87 3h88 s ASP 112 Ca -0.11 -0.70 0.00 0.00 -3.30 0.00 0.00 52.55 48.44 3h88 s ASP 112 Cb -0.05 0.15 0.00 0.00 -1.09 0.00 0.00 42.92 41.92 3h88 s ASP 112 CO 0.03 -0.43 0.00 -0.62 0.70 0.00 0.00 175.17 174.85 3h88 n GLU 113 N 0.97 3.87 -0.13 2.11 -0.58 -0.13 -5.00 120.64 121.75 3h88 n GLU 113 Ca -0.20 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.47 3h88 n GLU 113 Cb 0.58 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.46 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 0.47 0.00 3.49 3.08 -2.04 -3.35 114.38 116.03 3h88 h ARG 114 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3h88 h ARG 114 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3h88 h ARG 114 CO 0.00 0.31 -1.61 0.72 -1.07 0.00 0.00 179.97 178.33 3h88 n HIS 115 N -4.86 0.00 -4.62 3.04 8.25 -1.26 -4.90 115.22 110.88 3h88 n HIS 115 Ca 0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.22 3h88 n HIS 115 Cb 0.06 -0.33 -0.14 0.00 1.12 0.00 0.00 29.99 30.70 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 -2.79 1.80 0.53 4.41 2.02 -1.26 -1.17 117.35 120.89 3h88 s TYR 116 Ca -0.05 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 3h88 s TYR 116 Cb 0.07 -1.07 0.02 0.00 -0.40 0.00 0.00 41.96 40.59 3h88 s TYR 116 CO 0.52 0.10 0.31 0.00 -1.57 0.00 0.00 175.55 174.91 3h88 s ALA 117 N -0.82 4.34 -0.25 3.71 0.00 -0.18 -0.95 121.76 127.60 3h88 s ALA 117 Ca 0.07 -1.11 -0.31 0.00 0.00 0.00 0.00 51.96 50.60 3h88 s ALA 117 Cb -0.09 -0.57 0.17 0.00 0.00 0.00 0.00 23.12 22.63 3h88 s ALA 117 CO 0.02 -0.35 1.29 0.00 0.00 0.00 0.00 175.76 176.72 3h88 s ALA 119 N -2.78 -2.10 0.01 0.00 0.00 -0.16 -0.09 121.76 116.64 3h88 s ALA 119 Ca 0.29 1.81 0.04 0.00 0.00 0.00 0.00 51.96 54.09 3h88 s ALA 119 Cb -0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 3h88 s ALA 119 CO 0.18 -0.34 -0.11 0.99 0.00 0.00 0.00 175.76 176.47 3h88 s THR 120 N -1.38 0.89 -0.04 0.00 2.01 -0.71 -1.06 115.64 115.34 3h88 s THR 120 Ca 0.08 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.50 3h88 s THR 120 Cb -0.01 -0.77 -0.00 0.00 0.01 0.00 0.00 72.50 71.73 3h88 s THR 120 CO -0.05 0.15 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.19 3h88 s VAL 121 N -0.45 1.24 -0.09 3.82 1.01 -0.29 -1.41 120.40 124.22 3h88 s VAL 121 Ca 0.03 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3h88 s VAL 121 Cb -0.05 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 3h88 s VAL 121 CO 0.00 0.36 -0.24 -0.63 0.00 0.00 0.00 175.10 174.60 3h88 s ILE 122 N 0.08 2.02 -0.16 2.22 1.01 0.16 -1.27 121.20 125.25 3h88 s ILE 122 Ca -0.03 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.55 3h88 s ILE 122 Cb -0.11 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3h88 s ILE 122 CO 0.02 0.55 0.06 -0.76 0.00 0.00 0.00 174.94 174.81 3h88 s LEU 123 N 0.27 3.81 0.00 2.97 1.43 -0.30 -0.92 118.68 125.94 3h88 s LEU 123 Ca -0.16 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 3h88 s LEU 123 Cb -0.17 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 3h88 s LEU 123 CO 0.08 0.22 -0.16 -1.83 0.23 0.00 0.00 176.35 174.88 3h88 s GLU 124 N 0.10 1.25 0.33 1.70 -1.05 -0.42 -0.42 118.70 120.18 3h88 s GLU 124 Ca 0.05 -0.65 0.07 0.00 -0.15 0.00 0.00 54.97 54.29 3h88 s GLU 124 Cb -0.12 -1.23 -0.02 0.00 -0.44 0.00 0.00 34.13 32.32 3h88 s GLU 124 CO 0.01 0.33 0.40 -0.98 0.95 0.00 0.00 175.26 175.97 3h88 s ARG 125 N -0.60 3.02 0.00 -4.83 1.70 -1.26 -1.29 118.95 115.69 3h88 s ARG 125 Ca 0.06 -1.08 0.00 0.00 -0.47 0.00 0.00 55.73 54.23 3h88 s ARG 125 Cb -0.07 -2.71 0.00 0.00 -0.57 0.00 0.00 34.95 31.60 3h88 s ARG 125 CO -0.00 0.11 0.00 2.89 -1.08 0.00 0.00 175.30 177.22