#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 3.28 -0.71 0.00 1.01 -1.26 -4.83 121.20 118.69 3h88 s ILE 2 Ca 0.00 -0.58 0.13 0.00 0.00 0.00 0.00 60.65 60.20 3h88 s ILE 2 Cb 0.00 -2.40 -0.12 0.00 0.01 0.00 0.00 42.46 39.95 3h88 s ILE 2 CO 0.00 0.51 0.58 1.33 0.00 0.00 0.00 174.94 177.37 3h88 n VAL 3 N 3.56 0.00 -3.57 2.92 0.24 0.84 -4.89 118.33 117.42 3h88 n VAL 3 Ca -0.18 -0.22 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 3h88 n VAL 3 Cb 0.53 1.03 -0.05 0.00 -1.47 0.00 0.00 33.84 33.88 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 -2.12 -0.27 -0.02 7.63 0.00 -1.12 -4.95 107.32 106.47 3h88 s GLY 4 Ca 0.06 1.95 0.01 0.00 0.00 0.00 0.00 44.72 46.74 3h88 s GLY 4 CO 0.50 0.94 -0.01 -2.27 0.00 0.00 0.00 173.10 172.26 3h88 s LEU 5 N -1.28 1.52 0.01 0.66 2.96 -1.26 -1.35 118.68 119.94 3h88 s LEU 5 Ca -0.00 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3h88 s LEU 5 Cb -0.01 -0.20 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 3h88 s LEU 5 CO -0.00 -0.04 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.11 3h88 s GLY 6 N 0.56 0.27 0.02 7.98 0.00 -0.06 -3.59 107.32 112.50 3h88 s GLY 6 Ca -0.06 -0.32 -0.05 0.00 0.00 0.00 0.00 44.72 44.29 3h88 s GLY 6 CO -0.01 -0.31 0.08 -1.08 0.00 0.00 0.00 173.10 171.78 3h88 s THR 7 N -0.43 0.11 -0.15 0.90 -1.32 -1.26 -0.97 115.64 112.53 3h88 s THR 7 Ca -0.02 -0.87 -0.24 0.00 -1.21 0.00 0.00 61.69 59.36 3h88 s THR 7 Cb -0.04 -0.53 0.06 0.00 -1.51 0.00 0.00 72.50 70.48 3h88 s THR 7 CO -0.00 -0.48 0.60 -0.62 -2.21 0.00 0.00 174.62 171.91 3h88 s ASP 8 N -1.63 -0.59 -0.02 8.08 2.15 -0.56 -4.58 116.67 119.52 3h88 s ASP 8 Ca -0.12 0.93 0.04 0.00 0.43 0.00 0.00 52.55 53.83 3h88 s ASP 8 Cb -0.06 0.91 -0.01 0.00 -0.30 0.00 0.00 42.92 43.46 3h88 s ASP 8 CO -0.01 -0.37 -0.15 -0.51 -0.17 0.00 0.00 175.17 173.95 3h88 s ILE 9 N -0.38 1.24 -0.03 4.11 2.07 -1.26 -1.52 121.20 125.43 3h88 s ILE 9 Ca -0.05 -0.65 0.02 0.00 -1.41 0.00 0.00 60.65 58.56 3h88 s ILE 9 Cb -0.03 -1.04 0.01 0.00 0.13 0.00 0.00 42.46 41.52 3h88 s ILE 9 CO 0.04 0.35 -0.09 0.00 -1.91 0.00 0.00 174.94 173.34 3h88 s ALA 10 N -0.22 0.88 -0.28 1.50 0.00 0.10 -4.99 121.76 118.75 3h88 s ALA 10 Ca 0.03 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 3h88 s ALA 10 Cb -0.08 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.69 3h88 s ALA 10 CO 0.00 0.11 1.06 -2.00 0.00 0.00 0.00 175.76 174.93 3h88 s GLU 11 N 0.38 4.15 0.20 0.00 2.12 -1.26 -1.22 118.70 123.07 3h88 s GLU 11 Ca -0.06 1.20 -0.09 0.00 0.36 0.00 0.00 54.97 56.38 3h88 s GLU 11 Cb -0.11 -3.69 0.14 0.00 0.26 0.00 0.00 34.13 30.73 3h88 s GLU 11 CO 0.01 -0.78 1.78 0.82 -0.54 0.00 0.00 175.26 176.55 3h88 h ILE 12 N 5.61 1.25 -0.18 -3.70 2.04 -0.68 -2.19 117.51 119.67 3h88 h ILE 12 Ca -0.20 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3h88 h ILE 12 Cb 1.06 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3h88 h ILE 12 CO 1.01 0.30 0.08 -0.08 0.00 0.00 0.00 178.15 179.46 3h88 h GLU 13 N 1.06 0.24 -0.06 2.37 4.81 -1.92 -0.21 114.58 120.86 3h88 h GLU 13 Ca 0.25 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.30 3h88 h GLU 13 Cb 0.17 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3h88 h GLU 13 CO -0.03 0.20 -0.66 0.00 -0.73 0.00 0.00 179.01 177.79 3h88 h ARG 14 N 0.24 0.26 -0.40 1.92 3.08 -1.77 -0.27 114.38 117.45 3h88 h ARG 14 Ca 0.06 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 3h88 h ARG 14 Cb 0.04 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3h88 h ARG 14 CO -0.01 0.83 -0.02 0.28 -1.07 0.00 0.00 179.97 179.98 3h88 h VAL 15 N 0.19 1.26 -0.43 2.04 2.07 -1.13 -2.18 116.25 118.07 3h88 h VAL 15 Ca -0.01 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.50 3h88 h VAL 15 Cb 1.20 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 3h88 h VAL 15 CO 0.10 0.35 0.18 -0.33 0.02 0.00 0.00 177.57 177.90 3h88 h GLU 16 N 0.54 0.36 -0.83 1.57 5.08 -0.78 -0.85 114.58 119.68 3h88 h GLU 16 Ca 0.11 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3h88 h GLU 16 Cb 0.51 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3h88 h GLU 16 CO 0.02 0.24 0.40 0.87 -1.00 0.00 0.00 179.01 179.55 3h88 h LYS 17 N 0.38 1.20 -0.84 2.33 1.57 -1.01 -0.59 116.57 119.60 3h88 h LYS 17 Ca 0.19 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3h88 h LYS 17 Cb 0.14 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3h88 h LYS 17 CO -0.17 0.92 0.41 0.00 -0.57 0.00 0.00 179.45 180.04 3h88 h ALA 18 N 1.22 1.08 -0.31 3.86 0.00 -1.04 -2.00 119.26 122.07 3h88 h ALA 18 Ca 0.29 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3h88 h ALA 18 Cb 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3h88 h ALA 18 CO -0.04 0.65 -0.20 -0.07 0.00 0.00 0.00 179.25 179.59 3h88 h LEU 19 N 1.19 0.58 -1.61 0.00 3.38 -0.72 0.11 115.31 118.25 3h88 h LEU 19 Ca 0.29 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3h88 h LEU 19 Cb 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3h88 h LEU 19 CO -0.04 0.78 -0.19 0.00 0.09 0.00 0.00 178.44 179.08 3h88 h ALA 20 N 1.27 1.24 0.00 1.53 0.00 -0.77 -0.56 119.26 121.96 3h88 h ALA 20 Ca 0.08 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 3h88 h ALA 20 Cb 0.63 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3h88 h ALA 20 CO 0.04 0.24 -0.88 0.00 0.00 0.00 0.00 179.25 178.65 3h88 h ARG 21 N 0.00 0.00 0.00 0.00 3.08 -0.98 -3.44 114.38 113.04 3h88 h ARG 21 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h88 h ARG 21 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3h88 h ARG 21 CO 0.02 0.86 0.00 0.43 -1.07 0.00 0.00 179.97 180.22 3h88 n SER 22 N -4.50 0.55 0.00 7.04 7.64 0.34 -5.06 113.62 119.63 3h88 n SER 22 Ca -0.24 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 58.86 3h88 n SER 22 Cb 0.57 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 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 0.38 3.06 0.26 0.23 0.00 -0.22 -1.79 105.19 107.11 3h88 n GLY 23 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.47 1.61 4.57 -1.95 -0.06 114.58 118.27 3h88 h GLU 24 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3h88 h GLU 24 Cb 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3h88 h GLU 24 CO 0.00 0.02 0.31 -0.91 -1.18 0.00 0.00 179.01 177.26 3h88 h ASN 25 N 0.00 0.52 0.06 1.04 2.35 -1.78 0.42 115.58 118.19 3h88 h ASN 25 Ca -0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3h88 h ASN 25 Cb 0.04 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3h88 h ASN 25 CO 0.00 0.37 -0.03 0.15 -1.65 0.00 0.00 177.43 176.28 3h88 h PHE 26 N 0.61 -0.07 -0.83 1.19 3.57 -1.08 -3.26 116.94 117.06 3h88 h PHE 26 Ca 0.18 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.71 3h88 h PHE 26 Cb -0.03 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 3h88 h PHE 26 CO -0.00 0.51 0.53 0.00 -2.23 0.00 0.00 178.31 177.12 3h88 h ALA 27 N -0.23 1.11 0.00 2.41 0.00 -1.00 -2.34 119.26 119.20 3h88 h ALA 27 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3h88 h ALA 27 Cb 0.62 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3h88 h ALA 27 CO 0.01 0.34 -0.22 0.00 0.00 0.00 0.00 179.25 179.39 3h88 h ARG 28 N 1.02 0.00 -0.32 0.00 3.08 -0.30 -0.32 114.38 117.54 3h88 h ARG 28 Ca 0.34 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.26 3h88 h ARG 28 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3h88 h ARG 28 CO -0.13 0.22 -0.32 -0.09 -1.07 0.00 0.00 179.97 178.58 3h88 h ARG 29 N 0.00 0.69 0.17 0.04 2.43 -1.46 -3.33 114.38 112.91 3h88 h ARG 29 Ca -0.00 -0.31 -0.33 0.00 -0.81 0.00 0.00 59.98 58.52 3h88 h ARG 29 Cb 0.48 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3h88 h ARG 29 CO 0.03 0.92 -1.60 0.82 -1.51 0.00 0.00 179.97 178.62 3h88 h ILE 30 N 0.58 1.10 -3.23 1.20 1.08 -1.28 -3.41 117.51 113.56 3h88 h ILE 30 Ca 0.07 -2.68 -0.67 0.00 -0.39 0.00 0.00 64.86 61.19 3h88 h ILE 30 Cb 0.83 2.81 -0.12 0.00 -3.07 0.00 0.00 36.82 37.27 3h88 h ILE 30 CO 0.07 0.84 -0.61 -0.76 -0.69 0.00 0.00 178.15 177.00 3h88 s LEU 31 N -7.21 3.70 0.85 1.44 1.43 -0.19 -4.47 118.68 114.24 3h88 s LEU 31 Ca -0.12 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 3h88 s LEU 31 Cb 0.06 -2.04 0.10 0.00 0.03 0.00 0.00 46.19 44.34 3h88 s LEU 31 CO 0.87 0.31 1.10 0.42 0.23 0.00 0.00 176.35 179.28 3h88 s THR 32 N -1.06 2.82 0.30 5.49 -4.23 -1.26 -4.66 115.64 113.04 3h88 s THR 32 Ca 0.19 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.97 3h88 s THR 32 Cb -0.12 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.12 3h88 s THR 32 CO 0.09 -0.35 1.90 0.44 -0.54 0.00 0.00 174.62 176.16 3h88 h ASP 33 N -1.33 0.92 0.04 3.99 3.32 -1.98 -0.39 116.42 120.99 3h88 h ASP 33 Ca -0.48 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 3h88 h ASP 33 Cb 1.28 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 3h88 h ASP 33 CO 0.57 0.58 -0.44 -1.28 -1.72 0.00 0.00 179.24 176.95 3h88 h SER 34 N 1.04 0.52 0.43 6.45 0.87 -2.03 -2.90 113.55 117.93 3h88 h SER 34 Ca 0.40 -0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 60.61 3h88 h SER 34 Cb 0.23 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3h88 h SER 34 CO -0.16 0.89 -0.53 -0.33 -0.53 0.00 0.00 176.83 176.17 3h88 h GLU 35 N 0.40 0.11 -0.44 2.24 5.08 -1.76 -3.23 114.58 116.97 3h88 h GLU 35 Ca 0.03 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3h88 h GLU 35 Cb 0.93 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3h88 h GLU 35 CO 0.08 0.61 0.30 -0.07 -1.00 0.00 0.00 179.01 178.92 3h88 h LEU 36 N 0.08 0.37 -0.67 1.33 3.38 -0.88 -1.55 115.31 117.37 3h88 h LEU 36 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3h88 h LEU 36 Cb 0.96 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3h88 h LEU 36 CO 0.07 0.25 0.34 -0.33 0.09 0.00 0.00 178.44 178.86 3h88 h GLU 37 N 0.42 0.96 0.02 1.13 5.08 -1.56 0.55 114.58 121.18 3h88 h GLU 37 Ca 0.19 -0.13 -0.22 0.00 -1.00 0.00 0.00 59.36 58.20 3h88 h GLU 37 Cb 0.21 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3h88 h GLU 37 CO -0.05 0.74 -0.96 1.96 -1.00 0.00 0.00 179.01 179.71 3h88 h GLN 38 N 0.93 0.25 -0.49 2.33 4.20 -1.56 -2.92 115.11 117.84 3h88 h GLN 38 Ca 0.23 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3h88 h GLN 38 Cb 0.09 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3h88 h GLN 38 CO -0.03 1.04 0.23 0.35 -0.67 0.00 0.00 178.83 179.74 3h88 h PHE 39 N 0.13 0.72 -0.08 2.96 3.57 -1.05 -2.43 116.94 120.76 3h88 h PHE 39 Ca -0.07 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.42 3h88 h PHE 39 Cb 1.61 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 3h88 h PHE 39 CO 0.04 0.58 0.06 0.45 -2.23 0.00 0.00 178.31 177.21 3h88 h HIS 40 N 0.65 0.00 0.00 0.41 3.86 -0.83 -1.30 115.15 117.94 3h88 h HIS 40 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3h88 h HIS 40 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3h88 h HIS 40 CO -0.00 0.00 -0.45 0.00 0.86 0.00 0.00 177.93 178.34 3h88 n ALA 41 N -2.53 3.08 -1.78 2.45 0.00 -0.94 -4.90 120.51 115.88 3h88 n ALA 41 Ca -0.01 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 3h88 n ALA 41 Cb 0.17 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 3h88 n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h88 s SER 42 N -3.51 5.99 -0.05 0.00 0.15 -0.49 -4.95 113.70 110.83 3h88 s SER 42 Ca 0.10 2.06 0.15 0.00 0.70 0.00 0.00 55.95 58.96 3h88 s SER 42 Cb 0.16 -2.57 0.47 0.00 -1.71 0.00 0.00 66.02 62.37 3h88 s SER 42 CO 0.68 -1.03 1.40 0.29 1.20 0.00 0.00 173.24 175.78 3h88 n LYS 43 N -1.16 3.03 -3.18 5.44 5.02 -1.26 -4.49 118.16 121.56 3h88 n LYS 43 Ca 0.11 -2.44 -0.21 0.00 -2.02 0.00 0.00 58.31 53.75 3h88 n LYS 43 Cb 0.52 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 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 0.63 1.05 -0.04 1.97 6.02 -1.26 -4.99 117.38 120.75 3h88 n GLN 44 Ca 0.18 -3.44 0.01 0.00 -0.01 0.00 0.00 57.00 53.73 3h88 n GLN 44 Cb 0.62 -1.59 0.32 0.00 1.02 0.00 0.00 30.24 30.61 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 3.37 0.63 -0.57 -1.09 4.20 -1.88 -1.03 115.11 118.74 3h88 h GLN 45 Ca 0.09 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 3h88 h GLN 45 Cb 0.91 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 3h88 h GLN 45 CO 0.51 0.53 -0.04 0.78 -0.67 0.00 0.00 178.83 179.94 3h88 h GLY 46 N 0.79 1.10 0.84 3.46 0.00 -1.94 0.43 103.07 107.75 3h88 h GLY 46 Ca 0.15 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 3h88 h GLY 46 CO -0.01 0.77 -0.06 3.21 0.00 0.00 0.00 176.54 180.44 3h88 h ARG 47 N 0.93 0.45 -0.48 4.80 3.08 -1.78 0.23 114.38 121.61 3h88 h ARG 47 Ca 0.16 -0.18 0.10 0.00 0.07 0.00 0.00 59.98 60.13 3h88 h ARG 47 Cb 0.60 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.53 3h88 h ARG 47 CO 0.04 0.69 -0.11 0.35 -1.07 0.00 0.00 179.97 179.87 3h88 h PHE 48 N 0.19 -0.23 -0.20 3.04 3.57 -1.06 -1.89 116.94 120.35 3h88 h PHE 48 Ca 0.06 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.42 3h88 h PHE 48 Cb 0.52 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 3h88 h PHE 48 CO 0.05 -0.20 -0.60 1.25 -2.23 0.00 0.00 178.31 176.58 3h88 h LEU 49 N 0.01 0.76 -0.61 0.59 5.85 -0.76 -2.30 115.31 118.85 3h88 h LEU 49 Ca 0.23 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.53 3h88 h LEU 49 Cb 0.35 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3h88 h LEU 49 CO -0.48 1.19 0.40 0.00 -0.34 0.00 0.00 178.44 179.20 3h88 h ALA 50 N 0.82 0.78 -0.91 1.25 0.00 -0.72 0.10 119.26 120.58 3h88 h ALA 50 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h88 h ALA 50 Cb 1.18 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3h88 h ALA 50 CO 0.12 0.19 0.60 0.87 0.00 0.00 0.00 179.25 181.03 3h88 h LYS 51 N 0.81 1.18 -0.18 0.00 1.57 -1.20 -0.74 116.57 118.01 3h88 h LYS 51 Ca 0.23 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.75 3h88 h LYS 51 Cb -0.08 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 31.97 3h88 h LYS 51 CO -0.06 0.78 -0.66 0.00 -0.57 0.00 0.00 179.45 178.95 3h88 h ARG 52 N 1.22 0.67 -0.26 3.15 2.47 -1.03 -1.44 114.38 119.16 3h88 h ARG 52 Ca 0.34 -0.48 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 3h88 h ARG 52 Cb -0.12 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 3h88 h ARG 52 CO -0.08 1.10 0.11 0.35 0.56 0.00 0.00 179.97 182.02 3h88 h PHE 53 N 0.48 0.38 -0.61 3.04 3.57 -0.63 -1.55 116.94 121.63 3h88 h PHE 53 Ca -0.02 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3h88 h PHE 53 Cb 1.25 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 3h88 h PHE 53 CO 0.06 0.38 0.34 0.00 -2.23 0.00 0.00 178.31 176.87 3h88 h ALA 54 N 0.96 0.78 -0.55 2.41 0.00 -1.07 -0.34 119.26 121.45 3h88 h ALA 54 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3h88 h ALA 54 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3h88 h ALA 54 CO -0.01 0.29 0.30 0.00 0.00 0.00 0.00 179.25 179.83 3h88 h ALA 55 N 1.16 0.71 -0.21 0.00 0.00 -1.10 -0.19 119.26 119.63 3h88 h ALA 55 Ca 0.22 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3h88 h ALA 55 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3h88 h ALA 55 CO -0.04 0.23 -0.47 0.87 0.00 0.00 0.00 179.25 179.85 3h88 h LYS 56 N 0.74 0.69 -0.50 0.00 1.57 -1.11 0.57 116.57 118.53 3h88 h LYS 56 Ca 0.19 -0.46 0.04 0.00 -1.87 0.00 0.00 60.65 58.55 3h88 h LYS 56 Cb 0.05 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3h88 h LYS 56 CO -0.03 1.08 0.26 0.93 -0.57 0.00 0.00 179.45 181.12 3h88 h GLU 57 N 0.39 0.50 -0.60 3.15 5.08 -1.00 0.34 114.58 122.44 3h88 h GLU 57 Ca 0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3h88 h GLU 57 Cb 1.08 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 3h88 h GLU 57 CO 0.10 0.33 0.23 0.00 -1.00 0.00 0.00 179.01 178.68 3h88 h ALA 58 N 1.26 0.79 -0.51 3.43 0.00 -0.82 -1.84 119.26 121.57 3h88 h ALA 58 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3h88 h ALA 58 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3h88 h ALA 58 CO -0.14 0.41 0.16 0.00 0.00 0.00 0.00 179.25 179.68 3h88 h ALA 59 N 1.09 1.32 -0.12 0.00 0.00 -0.59 -1.32 119.26 119.65 3h88 h ALA 59 Ca 0.20 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3h88 h ALA 59 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3h88 h ALA 59 CO -0.02 0.49 -0.47 0.66 0.00 0.00 0.00 179.25 179.91 3h88 h SER 60 N 0.74 0.32 -0.38 0.00 4.64 -0.44 -1.91 113.55 116.53 3h88 h SER 60 Ca 0.17 -0.15 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 3h88 h SER 60 Cb 0.22 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3h88 h SER 60 CO -0.01 0.75 -0.27 0.11 -0.87 0.00 0.00 176.83 176.55 3h88 h LYS 61 N 0.24 0.90 -0.57 4.77 1.57 -1.06 -0.71 116.57 121.71 3h88 h LYS 61 Ca 0.01 -0.40 0.01 0.00 -1.87 0.00 0.00 60.65 58.41 3h88 h LYS 61 Cb 0.93 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 3h88 h LYS 61 CO 0.08 1.05 0.38 0.00 -0.57 0.00 0.00 179.45 180.39 3h88 h ALA 62 N 0.92 1.62 0.00 3.86 0.00 -0.72 -0.27 119.26 124.67 3h88 h ALA 62 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h88 h ALA 62 Cb 0.83 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3h88 h ALA 62 CO 0.07 0.34 0.00 -0.07 0.00 0.00 0.00 179.25 179.59 3h88 h LEU 63 N 0.74 0.00 0.00 0.00 3.38 -1.32 -3.35 115.31 114.76 3h88 h LEU 63 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3h88 h LEU 63 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3h88 h LEU 63 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 3h88 n GLY 64 N 0.38 0.75 0.03 0.83 0.00 -0.11 -4.90 105.19 102.17 3h88 n GLY 64 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.26 0.40 -4.67 2.61 -2.24 -1.13 -5.03 114.28 101.96 3h88 n THR 65 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3h88 n THR 65 Cb 0.00 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 2.32 -0.50 3.47 3.38 0.00 -0.29 -4.07 105.19 109.49 3h88 n GLY 66 Ca -0.10 -1.05 -0.44 0.00 0.00 0.00 0.00 46.02 44.43 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 4.76 0.12 -0.61 -1.09 -1.26 -4.78 121.20 118.34 3h88 s ILE 67 Ca 0.00 -1.92 -0.25 0.00 -2.23 0.00 0.00 60.65 56.25 3h88 s ILE 67 Cb 0.00 -4.86 0.08 0.00 -1.58 0.00 0.00 42.46 36.10 3h88 s ILE 67 CO 0.00 -1.60 1.11 0.00 -1.23 0.00 0.00 174.94 173.22 3h88 s ALA 68 N 2.49 -1.86 -1.50 9.38 0.00 -1.13 -4.94 121.76 124.21 3h88 s ALA 68 Ca 0.38 -0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.09 3h88 s ALA 68 Cb -0.03 0.74 0.11 0.00 0.00 0.00 0.00 23.12 23.94 3h88 s ALA 68 CO -0.05 -1.08 0.73 1.04 0.00 0.00 0.00 175.76 176.40 3h88 n GLN 69 N -0.71 -3.93 0.00 0.00 1.13 -1.26 -0.97 117.38 111.64 3h88 n GLN 69 Ca -0.02 0.48 0.00 0.00 -1.94 0.00 0.00 57.00 55.52 3h88 n GLN 69 Cb 0.60 -5.25 0.00 0.00 0.11 0.00 0.00 30.24 25.69 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 -1.39 1.52 3.69 1.08 0.00 -1.26 -5.03 105.19 103.79 3h88 n GLY 70 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.42 4.97 0.38 1.61 1.01 -0.14 -4.57 120.40 121.24 3h88 s VAL 71 Ca 0.00 1.52 0.07 0.00 0.00 0.00 0.00 61.98 63.57 3h88 s VAL 71 Cb 0.00 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 3h88 s VAL 71 CO 0.00 0.13 -0.00 0.42 0.00 0.00 0.00 175.10 175.65 3h88 s THR 72 N 1.53 1.92 0.50 3.92 -4.23 -1.26 -2.83 115.64 115.19 3h88 s THR 72 Ca 0.37 -2.04 0.19 0.00 -1.18 0.00 0.00 61.69 59.03 3h88 s THR 72 Cb -0.17 -2.90 0.34 0.00 1.34 0.00 0.00 72.50 71.10 3h88 s THR 72 CO 0.15 -0.04 2.04 -0.26 -0.54 0.00 0.00 174.62 175.97 3h88 h PHE 73 N 1.87 0.14 0.00 3.99 0.04 -1.87 -1.00 116.94 120.10 3h88 h PHE 73 Ca -0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3h88 h PHE 73 Cb 1.24 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.35 3h88 h PHE 73 CO 0.72 0.07 0.00 0.72 -0.60 0.00 0.00 178.31 179.21 3h88 n HIS 74 N -4.45 0.00 0.92 -0.55 8.25 -1.26 -2.20 115.22 115.93 3h88 n HIS 74 Ca 0.06 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.64 3h88 n HIS 74 Cb 0.37 -0.36 0.56 0.00 1.12 0.00 0.00 29.99 31.68 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 -1.36 0.00 -4.23 0.41 8.00 -0.38 -4.72 116.55 114.27 3h88 n ASP 75 Ca 0.08 0.43 -0.31 0.00 0.71 0.00 0.00 54.79 55.70 3h88 n ASP 75 Cb 0.19 -0.47 -0.17 0.00 -0.02 0.00 0.00 41.12 40.65 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 -2.95 2.41 -0.13 1.24 0.08 -0.93 -0.69 117.98 117.00 3h88 s PHE 76 Ca 0.14 -0.85 0.01 0.00 0.12 0.00 0.00 56.93 56.34 3h88 s PHE 76 Cb 0.17 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 41.04 3h88 s PHE 76 CO 0.46 -0.31 -0.14 0.99 -0.10 0.00 0.00 175.22 176.12 3h88 s THR 77 N 0.11 1.49 -0.23 0.64 2.01 -0.31 -4.76 115.64 114.59 3h88 s THR 77 Ca -0.11 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 3h88 s THR 77 Cb -0.16 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.91 3h88 s THR 77 CO 0.06 0.44 0.15 -0.63 -0.69 0.00 0.00 174.62 173.95 3h88 s ILE 78 N 1.37 5.33 0.00 1.82 1.01 -1.26 -1.07 121.20 128.40 3h88 s ILE 78 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.84 3h88 s ILE 78 Cb -0.13 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3h88 s ILE 78 CO -0.08 0.36 0.00 -1.54 0.00 0.00 0.00 174.94 173.69 3h88 n SER 79 N 4.14 1.39 -3.91 3.58 3.41 -0.03 -4.94 113.62 117.27 3h88 n SER 79 Ca -0.15 -0.70 -0.10 0.00 -0.26 0.00 0.00 58.87 57.65 3h88 n SER 79 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.80 0.13 0.84 7.33 3.76 -1.26 -0.29 115.29 125.00 3h88 s HIS 80 Ca 0.00 -0.32 -0.09 0.00 -0.15 0.00 0.00 55.06 54.50 3h88 s HIS 80 Cb 0.00 -0.10 0.16 0.00 1.11 0.00 0.00 32.58 33.74 3h88 s HIS 80 CO 0.00 -0.29 1.16 0.16 -0.85 0.00 0.00 174.74 174.91 3h88 s ASP 81 N -1.63 3.80 0.62 1.40 1.47 -0.46 -4.92 116.67 116.95 3h88 s ASP 81 Ca -0.12 0.01 0.37 0.00 1.18 0.00 0.00 52.55 53.99 3h88 s ASP 81 Cb -0.06 -0.25 2.10 0.00 -0.34 0.00 0.00 42.92 44.36 3h88 s ASP 81 CO -0.01 -2.26 2.31 0.11 0.68 0.00 0.00 175.17 176.00 3h88 h LYS 82 N -1.07 0.00 -0.02 2.11 1.57 -2.02 -1.24 116.57 115.90 3h88 h LYS 82 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3h88 h LYS 82 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3h88 h LYS 82 CO 0.41 0.00 -0.14 1.28 -0.57 0.00 0.00 179.45 180.44 3h88 n LEU 83 N -3.48 2.08 0.00 2.94 4.77 -1.26 -4.95 117.00 117.10 3h88 n LEU 83 Ca -0.03 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3h88 n LEU 83 Cb 0.08 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3h88 n LEU 83 CO 0.24 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3h88 n GLY 84 N 1.31 0.68 3.73 -0.72 0.00 -0.47 -5.07 105.19 104.65 3h88 n GLY 84 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.98 4.30 0.49 1.61 2.20 -1.26 -4.75 119.74 121.35 3h88 s LYS 85 Ca 0.00 2.20 -0.18 0.00 -0.36 0.00 0.00 55.97 57.62 3h88 s LYS 85 Cb 0.00 -3.17 -0.09 0.00 -1.51 0.00 0.00 37.83 33.07 3h88 s LYS 85 CO 0.00 -0.41 0.98 -1.25 -0.36 0.00 0.00 175.35 174.31 3h88 s PRO 86 N 0.22 4.01 0.02 4.03 0.04 -1.26 -1.36 135.00 140.70 3h88 s PRO 86 Ca 0.61 1.05 0.04 0.00 0.04 0.00 0.00 61.00 62.74 3h88 s PRO 86 Cb -0.40 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 3h88 s PRO 86 CO 0.37 -0.22 -0.12 -0.51 0.04 0.00 0.00 177.00 176.56 3h88 s LEU 87 N -3.73 2.13 -0.11 -3.56 1.43 0.60 -4.60 118.68 110.84 3h88 s LEU 87 Ca 0.61 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 3h88 s LEU 87 Cb -0.10 -0.54 -0.00 0.00 0.03 0.00 0.00 46.19 45.58 3h88 s LEU 87 CO 0.24 0.04 -0.22 -0.22 0.23 0.00 0.00 176.35 176.42 3h88 s LEU 88 N -0.90 2.22 -0.08 1.79 2.96 -1.26 -0.85 118.68 122.56 3h88 s LEU 88 Ca 0.01 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3h88 s LEU 88 Cb -0.07 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.18 3h88 s LEU 88 CO 0.01 0.16 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.42 3h88 s ILE 89 N 0.38 1.34 0.11 6.68 1.09 -0.23 -4.93 121.20 125.64 3h88 s ILE 89 Ca -0.17 -0.59 -0.02 0.00 -1.10 0.00 0.00 60.65 58.77 3h88 s ILE 89 Cb -0.17 -1.21 -0.05 0.00 -1.06 0.00 0.00 42.46 39.97 3h88 s ILE 89 CO 0.08 0.40 0.31 -0.76 -0.10 0.00 0.00 174.94 174.87 3h88 s LEU 90 N 0.66 4.30 0.35 2.97 1.43 -1.26 -1.16 118.68 125.96 3h88 s LEU 90 Ca -0.14 0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3h88 s LEU 90 Cb -0.16 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.90 3h88 s LEU 90 CO 0.04 0.09 0.46 -0.94 0.23 0.00 0.00 176.35 176.23 3h88 s SER 91 N -2.53 1.01 0.51 2.29 1.04 0.13 -4.70 113.70 111.45 3h88 s SER 91 Ca 0.38 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.29 3h88 s SER 91 Cb -0.12 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3h88 s SER 91 CO 0.26 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.80 3h88 n GLY 92 N -0.58 1.80 0.24 7.32 0.00 -1.26 -2.22 105.19 110.49 3h88 n GLY 92 Ca 0.01 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.69 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 0.09 -0.73 1.61 5.75 -1.95 -1.71 115.11 118.17 3h88 h GLN 93 Ca 0.00 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3h88 h GLN 93 Cb 0.00 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 3h88 h GLN 93 CO 0.00 0.20 0.45 0.00 -2.65 0.00 0.00 178.83 176.83 3h88 h ALA 94 N 1.81 0.93 -0.38 3.38 0.00 -1.83 -0.75 119.26 122.42 3h88 h ALA 94 Ca 0.02 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3h88 h ALA 94 Cb 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3h88 h ALA 94 CO 0.02 0.39 -0.31 0.00 0.00 0.00 0.00 179.25 179.34 3h88 h ALA 95 N 1.24 0.74 -0.76 0.00 0.00 -0.86 0.06 119.26 119.68 3h88 h ALA 95 Ca 0.26 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3h88 h ALA 95 Cb -0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3h88 h ALA 95 CO -0.05 0.66 0.48 0.93 0.00 0.00 0.00 179.25 181.27 3h88 h GLU 96 N 0.70 1.01 -0.03 0.00 5.08 -1.10 -0.49 114.58 119.76 3h88 h GLU 96 Ca 0.08 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3h88 h GLU 96 Cb 0.86 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 3h88 h GLU 96 CO 0.08 0.69 -0.83 -0.07 -1.00 0.00 0.00 179.01 177.88 3h88 h LEU 97 N 1.03 0.45 -0.76 1.33 3.38 -0.86 -2.18 115.31 117.71 3h88 h LEU 97 Ca 0.28 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3h88 h LEU 97 Cb -0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3h88 h LEU 97 CO -0.06 1.09 -0.29 0.00 0.09 0.00 0.00 178.44 179.28 3h88 h ALA 98 N 0.89 0.93 -0.35 1.53 0.00 -0.72 -1.38 119.26 120.16 3h88 h ALA 98 Ca -0.05 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.51 3h88 h ALA 98 Cb 1.43 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3h88 h ALA 98 CO 0.14 0.61 0.15 1.03 0.00 0.00 0.00 179.25 181.18 3h88 h SER 99 N 0.53 0.20 0.08 0.00 0.87 -0.92 -0.36 113.55 113.97 3h88 h SER 99 Ca 0.07 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3h88 h SER 99 Cb 0.77 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 3h88 h SER 99 CO 0.06 0.16 -0.04 1.56 -0.53 0.00 0.00 176.83 178.04 3h88 h GLN 100 N 0.32 0.00 -0.01 2.24 4.20 -1.07 -0.86 115.11 119.94 3h88 h GLN 100 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3h88 h GLN 100 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3h88 h GLN 100 CO -0.13 0.04 -0.23 1.28 -0.67 0.00 0.00 178.83 179.12 3h88 n LEU 101 N -4.00 0.82 -2.82 1.46 4.32 -0.55 -4.94 117.00 111.29 3h88 n LEU 101 Ca -0.03 -0.15 -0.19 0.00 -0.02 0.00 0.00 56.01 55.62 3h88 n LEU 101 Cb 0.13 -0.16 0.05 0.00 -1.62 0.00 0.00 43.42 41.82 3h88 n LEU 101 CO 0.30 0.16 0.14 0.00 -1.22 0.00 0.00 177.39 176.76 3h88 n GLN 102 N -0.82 -5.63 -2.20 3.23 6.02 -0.33 -4.82 117.38 112.84 3h88 n GLN 102 Ca 0.12 0.69 -0.42 0.00 -0.01 0.00 0.00 57.00 57.38 3h88 n GLN 102 Cb 0.33 -5.22 -0.03 0.00 1.02 0.00 0.00 30.24 26.34 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 -3.19 3.32 0.00 5.09 1.01 -0.27 -4.24 120.40 122.12 3h88 s VAL 103 Ca 0.40 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.37 3h88 s VAL 103 Cb -0.18 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3h88 s VAL 103 CO 0.49 0.10 0.00 1.21 0.00 0.00 0.00 175.10 176.91 3h88 n GLU 104 N 3.47 0.90 -4.14 2.72 2.13 0.41 -4.82 120.64 121.32 3h88 n GLU 104 Ca 0.09 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.76 3h88 n GLU 104 Cb 0.43 -0.92 -0.14 0.00 0.27 0.00 0.00 31.44 31.07 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3h88 s ASN 105 N -1.73 0.58 -0.05 4.31 0.01 -1.03 -5.04 114.94 112.00 3h88 s ASN 105 Ca 0.00 -0.09 0.03 0.00 -0.71 0.00 0.00 52.86 52.09 3h88 s ASN 105 Cb 0.00 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.59 3h88 s ASN 105 CO 0.00 0.06 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.87 3h88 s ILE 106 N -0.09 1.24 -0.00 0.60 1.01 -1.26 -1.10 121.20 121.60 3h88 s ILE 106 Ca 0.02 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.13 3h88 s ILE 106 Cb -0.02 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 3h88 s ILE 106 CO -0.00 0.37 -0.16 -1.00 0.00 0.00 0.00 174.94 174.15 3h88 s HIS 107 N 0.27 1.44 -0.01 3.97 3.76 -0.27 -4.84 115.29 119.61 3h88 s HIS 107 Ca -0.07 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 3h88 s HIS 107 Cb -0.12 -0.91 0.01 0.00 1.11 0.00 0.00 32.58 32.66 3h88 s HIS 107 CO 0.03 -0.01 0.01 -1.17 -0.85 0.00 0.00 174.74 172.74 3h88 s LEU 108 N -0.51 1.65 0.04 0.89 2.96 -1.26 -1.14 118.68 121.31 3h88 s LEU 108 Ca 0.06 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 3h88 s LEU 108 Cb -0.06 -0.06 -0.02 0.00 0.50 0.00 0.00 46.19 46.54 3h88 s LEU 108 CO -0.00 -0.04 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.35 3h88 s SER 109 N 0.41 0.99 0.02 3.68 0.15 -0.55 -4.66 113.70 113.73 3h88 s SER 109 Ca -0.03 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.14 3h88 s SER 109 Cb -0.05 0.00 -0.01 0.00 -1.71 0.00 0.00 66.02 64.25 3h88 s SER 109 CO -0.01 -0.14 -0.07 -0.63 1.20 0.00 0.00 173.24 173.59 3h88 s ILE 110 N -1.18 0.54 -0.06 6.45 1.01 -1.26 -1.32 121.20 125.39 3h88 s ILE 110 Ca -0.07 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 3h88 s ILE 110 Cb -0.09 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.89 3h88 s ILE 110 CO 0.01 -0.05 0.29 -0.55 0.00 0.00 0.00 174.94 174.63 3h88 s SER 111 N -0.71 -0.23 0.06 3.58 0.15 -1.26 -5.00 113.70 110.29 3h88 s SER 111 Ca -0.02 0.29 0.02 0.00 0.70 0.00 0.00 55.95 56.95 3h88 s SER 111 Cb -0.05 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 3h88 s SER 111 CO 0.00 -0.29 -0.08 1.51 1.20 0.00 0.00 173.24 175.58 3h88 s ASP 112 N -0.67 0.96 0.00 5.45 -4.77 -1.26 -4.39 116.67 111.98 3h88 s ASP 112 Ca -0.08 -0.66 0.00 0.00 -3.30 0.00 0.00 52.55 48.52 3h88 s ASP 112 Cb -0.04 0.04 0.00 0.00 -1.09 0.00 0.00 42.92 41.83 3h88 s ASP 112 CO 0.02 -0.26 0.00 -0.62 0.70 0.00 0.00 175.17 175.02 3h88 n GLU 113 N 1.11 3.99 -0.16 2.11 -0.58 0.37 -4.98 120.64 122.51 3h88 n GLU 113 Ca -0.20 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.52 3h88 n GLU 113 Cb 0.56 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.50 3h88 n GLU 113 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3h88 h ARG 114 N 0.00 0.13 0.00 3.49 9.65 -2.04 -3.33 114.38 122.28 3h88 h ARG 114 Ca 0.00 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 3h88 h ARG 114 Cb 0.00 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 3h88 h ARG 114 CO 0.00 0.08 -1.49 0.72 2.80 0.00 0.00 179.97 182.09 3h88 n HIS 115 N -5.22 0.00 -4.75 2.20 8.25 -1.26 -4.89 115.22 109.54 3h88 n HIS 115 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 3h88 n HIS 115 Cb 0.28 -0.27 -0.15 0.00 1.12 0.00 0.00 29.99 30.97 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 -2.61 1.48 0.42 4.41 2.02 -1.25 0.11 117.35 121.93 3h88 s TYR 116 Ca -0.04 -0.29 0.07 0.00 -0.37 0.00 0.00 57.07 56.45 3h88 s TYR 116 Cb 0.06 -0.95 -0.05 0.00 -0.40 0.00 0.00 41.96 40.62 3h88 s TYR 116 CO 0.41 -0.02 0.21 0.00 -1.57 0.00 0.00 175.55 174.58 3h88 s ALA 117 N -0.44 3.68 0.00 3.71 0.00 -0.36 -0.47 121.76 127.88 3h88 s ALA 117 Ca 0.06 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 49.98 3h88 s ALA 117 Cb -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.59 3h88 s ALA 117 CO -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 175.76 175.57 3h88 n ALA 119 N -1.29 0.00 -2.69 0.00 0.00 -0.58 0.02 120.51 115.97 3h88 n ALA 119 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 3h88 n ALA 119 Cb 0.64 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.00 0.79 -0.03 0.00 2.01 -0.43 -1.50 115.64 114.47 3h88 s THR 120 Ca 0.00 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.45 3h88 s THR 120 Cb 0.00 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.82 3h88 s THR 120 CO 0.00 0.11 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.23 3h88 s VAL 121 N -0.46 1.03 -0.04 3.82 1.01 -0.14 -1.48 120.40 124.14 3h88 s VAL 121 Ca 0.02 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3h88 s VAL 121 Cb -0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 3h88 s VAL 121 CO 0.00 0.31 -0.18 -0.63 0.00 0.00 0.00 175.10 174.60 3h88 s ILE 122 N 0.17 1.51 -0.11 2.22 1.01 -0.29 -0.88 121.20 124.82 3h88 s ILE 122 Ca -0.04 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3h88 s ILE 122 Cb -0.10 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 3h88 s ILE 122 CO 0.01 0.43 -0.11 -0.76 0.00 0.00 0.00 174.94 174.51 3h88 s LEU 123 N -0.11 2.88 0.03 2.97 1.43 -0.45 -1.12 118.68 124.31 3h88 s LEU 123 Ca -0.01 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 3h88 s LEU 123 Cb -0.11 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 3h88 s LEU 123 CO 0.02 0.23 -0.19 -0.70 0.23 0.00 0.00 176.35 175.93 3h88 s GLU 124 N -0.03 1.36 0.00 1.70 2.12 -0.26 -0.11 118.70 123.48 3h88 s GLU 124 Ca -0.02 -0.84 0.32 0.00 0.36 0.00 0.00 54.97 54.79 3h88 s GLU 124 Cb -0.14 -1.42 1.89 0.00 0.26 0.00 0.00 34.13 34.73 3h88 s GLU 124 CO 0.04 0.37 2.21 0.54 -0.54 0.00 0.00 175.26 177.88