#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h88 h VAL 3 N 0.00 1.21 -1.83 1.39 2.07 -0.89 -3.48 116.25 114.73 3h88 h VAL 3 Ca 0.00 -2.98 0.14 0.00 0.82 0.00 0.00 66.70 64.68 3h88 h VAL 3 Cb 0.00 2.59 -0.19 0.00 -1.52 0.00 0.00 31.29 32.17 3h88 h VAL 3 CO 0.00 0.69 0.61 -0.83 0.02 0.00 0.00 177.57 178.06 3h88 s GLY 4 N -4.90 -0.34 -0.02 2.17 0.00 -1.15 -4.96 107.32 98.11 3h88 s GLY 4 Ca -0.02 1.52 0.01 0.00 0.00 0.00 0.00 44.72 46.22 3h88 s GLY 4 CO 0.82 0.61 -0.01 -2.27 0.00 0.00 0.00 173.10 172.25 3h88 s LEU 5 N -1.97 1.55 0.03 0.66 2.96 -1.26 -0.94 118.68 119.71 3h88 s LEU 5 Ca 0.04 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3h88 s LEU 5 Cb -0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 46.19 46.51 3h88 s LEU 5 CO -0.05 -0.04 0.02 -0.83 -1.32 0.00 0.00 176.35 174.13 3h88 s GLY 6 N 0.52 0.24 0.04 7.98 0.00 -0.37 -3.79 107.32 111.93 3h88 s GLY 6 Ca -0.05 -0.62 -0.11 0.00 0.00 0.00 0.00 44.72 43.93 3h88 s GLY 6 CO -0.01 -0.72 0.24 -1.08 0.00 0.00 0.00 173.10 171.53 3h88 s THR 7 N -2.12 0.10 -0.02 0.90 -1.32 -1.26 -1.12 115.64 110.79 3h88 s THR 7 Ca -0.10 -0.79 -0.25 0.00 -1.21 0.00 0.00 61.69 59.35 3h88 s THR 7 Cb -0.05 -0.91 0.05 0.00 -1.51 0.00 0.00 72.50 70.09 3h88 s THR 7 CO -0.03 -0.44 0.55 -0.62 -2.21 0.00 0.00 174.62 171.87 3h88 s ASP 8 N -2.05 -0.49 -0.03 8.08 2.15 -0.61 -4.53 116.67 119.20 3h88 s ASP 8 Ca -0.05 0.43 0.02 0.00 0.43 0.00 0.00 52.55 53.38 3h88 s ASP 8 Cb -0.01 0.47 0.01 0.00 -0.30 0.00 0.00 42.92 43.08 3h88 s ASP 8 CO -0.03 -0.60 -0.09 -0.51 -0.17 0.00 0.00 175.17 173.77 3h88 s ILE 9 N -1.53 0.76 -0.03 4.11 2.07 -1.26 -1.87 121.20 123.44 3h88 s ILE 9 Ca -0.10 -0.34 0.04 0.00 -1.41 0.00 0.00 60.65 58.84 3h88 s ILE 9 Cb -0.01 -0.69 -0.01 0.00 0.13 0.00 0.00 42.46 41.88 3h88 s ILE 9 CO 0.06 0.24 -0.16 0.00 -1.91 0.00 0.00 174.94 173.17 3h88 s ALA 10 N 0.27 1.39 -0.33 1.50 0.00 0.74 -4.99 121.76 120.35 3h88 s ALA 10 Ca -0.04 -0.66 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 3h88 s ALA 10 Cb -0.09 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.62 3h88 s ALA 10 CO 0.01 0.29 0.96 -2.00 0.00 0.00 0.00 175.76 175.01 3h88 s GLU 11 N -0.11 3.97 0.30 0.00 2.12 -1.26 -1.17 118.70 122.54 3h88 s GLU 11 Ca 0.00 0.80 -0.02 0.00 0.36 0.00 0.00 54.97 56.12 3h88 s GLU 11 Cb -0.09 -3.76 0.44 0.00 0.26 0.00 0.00 34.13 30.98 3h88 s GLU 11 CO 0.01 -0.86 1.93 0.82 -0.54 0.00 0.00 175.26 176.62 3h88 h ILE 12 N 5.73 1.21 -0.35 -3.70 2.04 -1.37 -2.34 117.51 118.73 3h88 h ILE 12 Ca -0.22 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3h88 h ILE 12 Cb 1.07 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3h88 h ILE 12 CO 0.98 0.23 0.20 -0.08 0.00 0.00 0.00 178.15 179.48 3h88 h GLU 13 N 1.03 0.47 -0.30 2.37 4.81 -1.92 -0.27 114.58 120.77 3h88 h GLU 13 Ca 0.27 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 3h88 h GLU 13 Cb -0.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3h88 h GLU 13 CO -0.05 0.34 -0.35 0.00 -0.73 0.00 0.00 179.01 178.23 3h88 h ARG 14 N 0.48 0.66 -0.49 1.92 3.08 -1.80 -0.82 114.38 117.42 3h88 h ARG 14 Ca 0.13 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 3h88 h ARG 14 Cb -0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3h88 h ARG 14 CO -0.02 0.92 -0.01 0.28 -1.07 0.00 0.00 179.97 180.06 3h88 h VAL 15 N 0.56 1.26 -0.78 2.04 2.07 -1.26 -2.00 116.25 118.14 3h88 h VAL 15 Ca 0.06 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 3h88 h VAL 15 Cb 0.86 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3h88 h VAL 15 CO 0.07 0.38 0.43 -0.33 0.02 0.00 0.00 177.57 178.14 3h88 h GLU 16 N 0.72 1.09 -0.53 1.57 5.08 -0.73 -1.48 114.58 120.30 3h88 h GLU 16 Ca 0.14 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3h88 h GLU 16 Cb 0.52 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3h88 h GLU 16 CO 0.03 0.81 0.14 0.87 -1.00 0.00 0.00 179.01 179.86 3h88 h LYS 17 N 1.08 0.84 -0.90 2.33 1.57 -1.07 -1.05 116.57 119.37 3h88 h LYS 17 Ca 0.28 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3h88 h LYS 17 Cb 0.03 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 3h88 h LYS 17 CO -0.04 0.79 0.57 0.00 -0.57 0.00 0.00 179.45 180.19 3h88 h ALA 18 N 1.01 1.24 -0.30 3.86 0.00 -1.08 -2.16 119.26 121.83 3h88 h ALA 18 Ca 0.17 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3h88 h ALA 18 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h88 h ALA 18 CO -0.00 0.34 -0.34 -0.07 0.00 0.00 0.00 179.25 179.17 3h88 h LEU 19 N 1.04 0.70 -1.58 0.00 3.38 -0.86 0.11 115.31 118.11 3h88 h LEU 19 Ca 0.39 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3h88 h LEU 19 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3h88 h LEU 19 CO -0.17 0.98 -0.23 0.00 0.09 0.00 0.00 178.44 179.12 3h88 h ALA 20 N 1.06 1.45 0.04 1.53 0.00 -0.79 0.45 119.26 122.99 3h88 h ALA 20 Ca 0.06 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 3h88 h ALA 20 Cb 0.85 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3h88 h ALA 20 CO 0.07 0.28 -1.24 0.00 0.00 0.00 0.00 179.25 178.37 3h88 h ARG 21 N 0.00 0.08 -0.00 0.00 3.08 -1.08 -3.43 114.38 113.03 3h88 h ARG 21 Ca -0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3h88 h ARG 21 Cb 0.45 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3h88 h ARG 21 CO 0.03 1.07 -0.04 0.43 -1.07 0.00 0.00 179.97 180.38 3h88 n SER 22 N -4.24 0.06 0.00 7.04 7.64 0.37 -5.07 113.62 119.42 3h88 n SER 22 Ca -0.28 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.07 3h88 n SER 22 Cb 0.75 0.98 0.00 0.00 -1.01 0.00 0.00 64.21 64.93 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 1.01 2.96 0.36 0.23 0.00 0.14 -1.87 105.19 108.02 3h88 n GLY 23 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 0.93 -0.95 1.61 4.57 -1.95 -0.21 114.58 118.58 3h88 h GLU 24 Ca 0.00 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3h88 h GLU 24 Cb 0.00 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.33 3h88 h GLU 24 CO 0.00 0.62 0.62 -0.91 -1.18 0.00 0.00 179.01 178.16 3h88 h ASN 25 N 0.96 1.06 -0.14 1.04 2.35 -1.80 0.73 115.58 119.78 3h88 h ASN 25 Ca 0.37 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 56.05 3h88 h ASN 25 Cb 0.21 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 3h88 h ASN 25 CO -0.13 0.75 -0.10 0.15 -1.65 0.00 0.00 177.43 176.45 3h88 h PHE 26 N 1.25 0.36 -0.58 1.19 3.57 -1.23 -3.18 116.94 118.32 3h88 h PHE 26 Ca 0.36 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 3h88 h PHE 26 Cb -0.09 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3h88 h PHE 26 CO -0.01 0.67 0.15 0.00 -2.23 0.00 0.00 178.31 176.89 3h88 h ALA 27 N 0.63 1.17 0.00 2.41 0.00 -0.39 -2.40 119.26 120.68 3h88 h ALA 27 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3h88 h ALA 27 Cb 0.59 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3h88 h ALA 27 CO 0.03 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3h88 h ARG 28 N 0.86 0.00 -0.07 0.00 3.08 -0.96 -0.65 114.38 116.64 3h88 h ARG 28 Ca 0.19 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 3h88 h ARG 28 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3h88 h ARG 28 CO -0.00 0.00 -0.27 -0.09 -1.07 0.00 0.00 179.97 178.54 3h88 h ARG 29 N 0.00 0.12 0.02 0.04 9.65 -1.40 -3.35 114.38 119.47 3h88 h ARG 29 Ca 0.00 -0.04 -0.39 0.00 -1.10 0.00 0.00 59.98 58.45 3h88 h ARG 29 Cb 0.60 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.11 3h88 h ARG 29 CO 0.00 0.39 -2.38 -0.89 2.80 0.00 0.00 179.97 179.90 3h88 n ILE 30 N -4.18 1.55 -3.91 1.20 2.08 -0.70 -4.61 119.36 110.78 3h88 n ILE 30 Ca -0.01 -0.56 -0.35 0.00 0.56 0.00 0.00 62.75 62.39 3h88 n ILE 30 Cb 0.35 -1.53 -0.05 0.00 -0.75 0.00 0.00 39.64 37.66 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 -6.72 4.35 0.78 1.39 1.43 -0.34 -4.41 118.68 115.17 3h88 s LEU 31 Ca -0.33 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 3h88 s LEU 31 Cb 0.09 -2.39 0.06 0.00 0.03 0.00 0.00 46.19 43.99 3h88 s LEU 31 CO 0.62 0.32 1.11 0.42 0.23 0.00 0.00 176.35 179.05 3h88 s THR 32 N -1.20 2.95 0.33 5.49 -4.23 -1.26 -4.65 115.64 113.06 3h88 s THR 32 Ca 0.22 0.31 0.04 0.00 -1.18 0.00 0.00 61.69 61.08 3h88 s THR 32 Cb -0.12 -3.16 0.29 0.00 1.34 0.00 0.00 72.50 70.85 3h88 s THR 32 CO 0.13 -0.40 1.91 0.44 -0.54 0.00 0.00 174.62 176.16 3h88 h ASP 33 N -1.00 0.80 -0.54 3.99 3.32 -1.99 -1.08 116.42 119.91 3h88 h ASP 33 Ca -0.47 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 3h88 h ASP 33 Cb 1.28 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 3h88 h ASP 33 CO 0.62 0.49 -0.09 -1.28 -1.72 0.00 0.00 179.24 177.26 3h88 h SER 34 N 0.89 1.03 0.33 6.45 0.87 -2.03 -2.57 113.55 118.52 3h88 h SER 34 Ca 0.38 -0.33 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 3h88 h SER 34 Cb 0.32 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3h88 h SER 34 CO -0.15 1.13 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.73 3h88 h GLU 35 N 0.92 0.00 0.00 2.24 5.08 -1.70 -3.14 114.58 117.98 3h88 h GLU 35 Ca 0.15 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3h88 h GLU 35 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3h88 h GLU 35 CO 0.05 0.22 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.97 3h88 h LEU 36 N 0.00 0.00 -0.20 1.33 3.38 -0.80 -1.90 115.31 117.13 3h88 h LEU 36 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3h88 h LEU 36 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3h88 h LEU 36 CO 0.03 0.24 0.10 -0.08 0.09 0.00 0.00 178.44 178.82 3h88 h GLU 37 N 0.00 0.28 -0.43 1.13 4.57 -1.57 0.18 114.58 118.73 3h88 h GLU 37 Ca -0.00 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 3h88 h GLU 37 Cb 0.49 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3h88 h GLU 37 CO 0.03 0.28 -0.30 1.96 -1.18 0.00 0.00 179.01 179.80 3h88 h GLN 38 N 0.21 0.97 0.09 1.92 4.20 -1.62 -2.63 115.11 118.25 3h88 h GLN 38 Ca 0.07 -0.46 0.02 0.00 0.06 0.00 0.00 58.65 58.33 3h88 h GLN 38 Cb 0.08 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3h88 h GLN 38 CO -0.01 1.13 -0.19 0.35 -0.67 0.00 0.00 178.83 179.44 3h88 h PHE 39 N 0.80 -0.50 -0.52 2.96 3.57 -1.15 -2.32 116.94 119.78 3h88 h PHE 39 Ca 0.09 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.66 3h88 h PHE 39 Cb 0.89 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 3h88 h PHE 39 CO 0.06 -0.28 0.35 0.45 -2.23 0.00 0.00 178.31 176.66 3h88 h HIS 40 N -0.36 0.45 0.00 0.41 3.86 -0.61 -0.60 115.15 118.30 3h88 h HIS 40 Ca 0.03 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3h88 h HIS 40 Cb 0.38 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3h88 h HIS 40 CO -0.19 0.24 0.00 0.00 0.86 0.00 0.00 177.93 178.84 3h88 h ALA 41 N 1.72 1.00 -2.40 2.45 0.00 -1.06 -3.46 119.26 117.51 3h88 h ALA 41 Ca 0.23 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.66 3h88 h ALA 41 Cb 0.33 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.16 3h88 h ALA 41 CO -0.06 0.00 0.40 0.45 0.00 0.00 0.00 179.25 180.04 3h88 s SER 42 N -5.14 6.20 0.00 0.00 0.15 -0.23 -4.95 113.70 109.73 3h88 s SER 42 Ca 0.05 2.00 0.20 0.00 0.70 0.00 0.00 55.95 58.89 3h88 s SER 42 Cb 0.09 -2.57 0.43 0.00 -1.71 0.00 0.00 66.02 62.26 3h88 s SER 42 CO 0.52 -0.88 1.36 0.29 1.20 0.00 0.00 173.24 175.73 3h88 n LYS 43 N -1.02 2.45 -3.15 5.44 5.02 -1.26 -4.47 118.16 121.17 3h88 n LYS 43 Ca 0.10 -2.24 -0.21 0.00 -2.02 0.00 0.00 58.31 53.93 3h88 n LYS 43 Cb 0.52 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 3h88 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h88 n GLN 44 N 1.29 1.49 -0.09 1.97 10.64 -1.26 -4.98 117.38 126.43 3h88 n GLN 44 Ca 0.18 -3.74 0.01 0.00 -1.83 0.00 0.00 57.00 51.63 3h88 n GLN 44 Cb 0.55 -1.77 0.32 0.00 -0.86 0.00 0.00 30.24 28.48 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h88 h GLN 45 N 3.22 0.72 -0.35 2.61 4.20 -1.88 -0.55 115.11 123.08 3h88 h GLN 45 Ca 0.11 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3h88 h GLN 45 Cb 0.84 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 3h88 h GLN 45 CO 0.58 0.53 0.15 0.78 -0.67 0.00 0.00 178.83 180.20 3h88 h GLY 46 N 0.80 0.55 0.97 3.46 0.00 -1.94 0.89 103.07 107.79 3h88 h GLY 46 Ca 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3h88 h GLY 46 CO -0.03 0.27 0.23 3.21 0.00 0.00 0.00 176.54 180.22 3h88 h ARG 47 N 0.42 0.67 -0.28 4.80 3.08 -1.75 0.14 114.38 121.46 3h88 h ARG 47 Ca 0.12 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.13 3h88 h ARG 47 Cb 0.15 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 3h88 h ARG 47 CO -0.01 0.56 -0.08 0.35 -1.07 0.00 0.00 179.97 179.72 3h88 h PHE 48 N 0.61 -0.16 -0.06 3.04 3.57 -0.96 -2.32 116.94 120.66 3h88 h PHE 48 Ca 0.16 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.52 3h88 h PHE 48 Cb 0.11 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3h88 h PHE 48 CO -0.01 -0.13 -0.68 1.25 -2.23 0.00 0.00 178.31 176.51 3h88 h LEU 49 N -0.01 0.34 -0.81 0.59 5.85 -0.63 -2.78 115.31 117.86 3h88 h LEU 49 Ca 0.13 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3h88 h LEU 49 Cb 0.21 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3h88 h LEU 49 CO -0.29 0.92 0.42 0.00 -0.34 0.00 0.00 178.44 179.15 3h88 h ALA 50 N 1.08 1.04 -0.55 1.25 0.00 -0.47 0.41 119.26 122.01 3h88 h ALA 50 Ca -0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3h88 h ALA 50 Cb 1.23 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3h88 h ALA 50 CO 0.11 0.58 -0.05 0.87 0.00 0.00 0.00 179.25 180.76 3h88 h LYS 51 N 1.14 1.01 -0.52 0.00 1.57 -1.31 -1.14 116.57 117.32 3h88 h LYS 51 Ca 0.28 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3h88 h LYS 51 Cb 0.08 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3h88 h LYS 51 CO -0.04 1.03 0.05 0.00 -0.57 0.00 0.00 179.45 179.92 3h88 h ARG 52 N 0.89 0.88 -0.34 3.15 2.47 -1.20 0.61 114.38 120.84 3h88 h ARG 52 Ca 0.15 -0.26 0.02 0.00 -1.26 0.00 0.00 59.98 58.64 3h88 h ARG 52 Cb 0.61 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.80 3h88 h ARG 52 CO 0.04 0.88 0.17 0.35 0.56 0.00 0.00 179.97 181.97 3h88 h PHE 53 N 0.76 0.32 -0.71 3.04 3.57 -0.84 -0.12 116.94 122.96 3h88 h PHE 53 Ca 0.15 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 3h88 h PHE 53 Cb 0.45 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 3h88 h PHE 53 CO 0.03 0.17 0.21 0.00 -2.23 0.00 0.00 178.31 176.50 3h88 h ALA 54 N 1.17 0.93 -0.42 2.41 0.00 -0.98 -1.34 119.26 121.03 3h88 h ALA 54 Ca 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3h88 h ALA 54 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3h88 h ALA 54 CO -0.10 0.61 0.18 0.00 0.00 0.00 0.00 179.25 179.95 3h88 h ALA 55 N 1.10 0.54 -0.34 0.00 0.00 -0.42 -1.00 119.26 119.14 3h88 h ALA 55 Ca 0.23 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3h88 h ALA 55 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h88 h ALA 55 CO -0.01 0.12 -0.31 0.87 0.00 0.00 0.00 179.25 179.93 3h88 h LYS 56 N 0.53 0.75 -0.30 0.00 1.57 -0.87 -0.30 116.57 117.95 3h88 h LYS 56 Ca 0.14 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3h88 h LYS 56 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3h88 h LYS 56 CO -0.01 0.96 0.15 0.93 -0.57 0.00 0.00 179.45 180.91 3h88 h GLU 57 N 0.63 0.42 -0.72 3.15 5.08 -1.16 -0.36 114.58 121.62 3h88 h GLU 57 Ca 0.07 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3h88 h GLU 57 Cb 0.84 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 3h88 h GLU 57 CO 0.07 0.39 0.44 0.00 -1.00 0.00 0.00 179.01 178.91 3h88 h ALA 58 N 1.01 0.95 -0.71 3.43 0.00 -1.02 -1.84 119.26 121.09 3h88 h ALA 58 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3h88 h ALA 58 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3h88 h ALA 58 CO -0.01 0.20 0.24 0.00 0.00 0.00 0.00 179.25 179.68 3h88 h ALA 59 N 1.32 0.93 0.00 0.00 0.00 -0.74 -0.88 119.26 119.89 3h88 h ALA 59 Ca 0.30 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 59 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3h88 h ALA 59 CO -0.13 0.59 -0.45 0.66 0.00 0.00 0.00 179.25 179.92 3h88 h SER 60 N 1.03 0.00 0.50 0.00 4.64 -0.79 -1.14 113.55 117.80 3h88 h SER 60 Ca 0.23 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.37 3h88 h SER 60 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3h88 h SER 60 CO -0.01 0.45 -0.81 0.11 -0.87 0.00 0.00 176.83 175.70 3h88 h LYS 61 N 0.00 0.23 -0.29 4.77 1.57 -0.91 0.52 116.57 122.46 3h88 h LYS 61 Ca -0.00 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 3h88 h LYS 61 Cb 0.83 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3h88 h LYS 61 CO 0.06 0.92 -0.11 0.00 -0.57 0.00 0.00 179.45 179.75 3h88 h ALA 62 N 1.01 1.27 0.00 3.86 0.00 -0.47 -1.65 119.26 123.28 3h88 h ALA 62 Ca -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3h88 h ALA 62 Cb 1.40 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3h88 h ALA 62 CO 0.13 0.48 -0.11 1.25 0.00 0.00 0.00 179.25 181.00 3h88 h LEU 63 N 0.45 0.00 0.00 0.00 5.85 -1.15 -3.35 115.31 117.12 3h88 h LEU 63 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3h88 h LEU 63 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3h88 h LEU 63 CO 0.03 0.11 0.00 0.61 -0.34 0.00 0.00 178.44 178.84 3h88 n GLY 64 N 0.11 0.71 0.05 3.75 0.00 -0.62 -4.95 105.19 104.23 3h88 n GLY 64 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.07 0.66 -4.05 2.61 -2.24 -0.99 -5.01 114.28 103.18 3h88 n THR 65 Ca 0.00 -0.45 0.01 0.00 -2.27 0.00 0.00 64.05 61.34 3h88 n THR 65 Cb 0.00 -0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 2.25 -1.68 3.47 3.38 0.00 0.14 -4.03 105.19 108.73 3h88 n GLY 66 Ca -0.16 -1.27 -0.44 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.14 4.89 0.10 -0.61 -1.09 -1.26 -4.72 121.20 118.38 3h88 s ILE 67 Ca 0.00 -2.27 -0.26 0.00 -2.23 0.00 0.00 60.65 55.88 3h88 s ILE 67 Cb 0.00 -4.89 0.08 0.00 -1.58 0.00 0.00 42.46 36.08 3h88 s ILE 67 CO 0.00 -1.61 1.09 0.00 -1.23 0.00 0.00 174.94 173.19 3h88 s ALA 68 N 2.05 -1.86 -1.22 9.38 0.00 -1.06 -4.93 121.76 124.12 3h88 s ALA 68 Ca 0.40 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 3h88 s ALA 68 Cb -0.03 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.68 3h88 s ALA 68 CO -0.03 -1.06 0.07 1.04 0.00 0.00 0.00 175.76 175.79 3h88 n GLN 69 N -0.54 -2.37 -0.55 0.00 1.13 -1.26 -0.75 117.38 113.05 3h88 n GLN 69 Ca -0.06 0.67 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 3h88 n GLN 69 Cb 0.61 -5.31 0.00 0.00 0.11 0.00 0.00 30.24 25.65 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 -0.91 1.02 3.55 1.08 0.00 -1.26 -4.99 105.19 103.68 3h88 n GLY 70 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3h88 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h88 s VAL 71 N -3.21 4.55 0.33 1.61 1.01 0.07 -4.71 120.40 120.06 3h88 s VAL 71 Ca 0.00 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.60 3h88 s VAL 71 Cb 0.00 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 3h88 s VAL 71 CO 0.00 -0.81 0.35 0.42 0.00 0.00 0.00 175.10 175.05 3h88 s THR 72 N 3.56 3.75 0.41 3.92 -4.23 -1.26 -2.58 115.64 119.21 3h88 s THR 72 Ca 0.33 -1.25 0.10 0.00 -1.18 0.00 0.00 61.69 59.69 3h88 s THR 72 Cb -0.11 -3.27 0.30 0.00 1.34 0.00 0.00 72.50 70.76 3h88 s THR 72 CO 0.24 -0.17 2.01 -0.26 -0.54 0.00 0.00 174.62 175.89 3h88 h PHE 73 N 1.14 0.52 0.00 3.99 0.04 -1.87 -1.47 116.94 119.29 3h88 h PHE 73 Ca -0.45 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3h88 h PHE 73 Cb 1.25 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.23 3h88 h PHE 73 CO 0.50 0.28 0.00 0.72 -0.60 0.00 0.00 178.31 179.21 3h88 n HIS 74 N -4.47 0.00 1.59 -0.55 8.25 -1.26 -2.54 115.22 116.24 3h88 n HIS 74 Ca 0.07 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.67 3h88 n HIS 74 Cb 0.23 -0.42 0.78 0.00 1.12 0.00 0.00 29.99 31.70 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 -1.42 0.00 -4.15 0.41 8.00 -0.55 -4.73 116.55 114.11 3h88 n ASP 75 Ca 0.06 -0.61 -0.29 0.00 0.71 0.00 0.00 54.79 54.66 3h88 n ASP 75 Cb 0.19 -0.10 -0.17 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.19 2.05 -0.07 1.24 0.08 -1.05 -0.56 117.98 117.48 3h88 s PHE 76 Ca 0.37 -0.75 0.04 0.00 0.12 0.00 0.00 56.93 56.70 3h88 s PHE 76 Cb 0.19 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.24 3h88 s PHE 76 CO 0.35 -0.31 -0.19 0.99 -0.10 0.00 0.00 175.22 175.96 3h88 s THR 77 N 0.33 1.68 -0.19 0.64 2.01 -0.06 -4.78 115.64 115.27 3h88 s THR 77 Ca -0.13 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 60.99 3h88 s THR 77 Cb -0.16 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 3h88 s THR 77 CO 0.06 0.48 0.05 -0.63 -0.69 0.00 0.00 174.62 173.88 3h88 s ILE 78 N 0.31 4.57 0.01 1.82 -1.09 -1.26 -1.27 121.20 124.29 3h88 s ILE 78 Ca -0.13 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 3h88 s ILE 78 Cb -0.16 -3.06 -0.00 0.00 -1.58 0.00 0.00 42.46 37.66 3h88 s ILE 78 CO 0.06 0.44 0.00 -1.54 -1.23 0.00 0.00 174.94 172.67 3h88 n SER 79 N 3.77 0.90 -4.07 3.58 3.41 -0.01 -4.96 113.62 116.24 3h88 n SER 79 Ca -0.17 -1.05 -0.10 0.00 -0.26 0.00 0.00 58.87 57.29 3h88 n SER 79 Cb 0.52 0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.59 0.58 0.77 7.33 3.76 -1.26 -0.15 115.29 124.73 3h88 s HIS 80 Ca 0.01 -0.73 -0.08 0.00 -0.15 0.00 0.00 55.06 54.11 3h88 s HIS 80 Cb 0.00 -0.37 0.17 0.00 1.11 0.00 0.00 32.58 33.49 3h88 s HIS 80 CO 0.00 -0.19 1.05 -0.40 -0.85 0.00 0.00 174.74 174.35 3h88 n ASP 81 N 0.86 0.63 0.28 1.40 5.68 0.30 -4.90 116.55 120.80 3h88 n ASP 81 Ca -0.19 -1.71 0.15 0.00 -0.50 0.00 0.00 54.79 52.54 3h88 n ASP 81 Cb 0.58 -0.75 0.83 0.00 -1.14 0.00 0.00 41.12 40.63 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 -0.01 0.11 1.57 -2.02 -0.95 116.57 115.27 3h88 h LYS 82 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3h88 h LYS 82 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3h88 h LYS 82 CO 0.29 0.07 -0.20 1.28 -0.57 0.00 0.00 179.45 180.32 3h88 n LEU 83 N -3.53 1.22 0.00 2.94 4.77 -1.26 -4.94 117.00 116.20 3h88 n LEU 83 Ca -0.02 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3h88 n LEU 83 Cb 0.20 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3h88 n LEU 83 CO 0.28 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3h88 n GLY 84 N 1.31 0.50 3.72 -0.72 0.00 -0.36 -5.06 105.19 104.57 3h88 n GLY 84 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3h88 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h88 s LYS 85 N -0.99 4.26 0.38 1.61 2.20 -1.26 -4.71 119.74 121.23 3h88 s LYS 85 Ca 0.00 2.23 -0.25 0.00 -0.36 0.00 0.00 55.97 57.59 3h88 s LYS 85 Cb 0.00 -3.20 -0.09 0.00 -1.51 0.00 0.00 37.83 33.03 3h88 s LYS 85 CO 0.00 -0.53 1.10 -1.25 -0.36 0.00 0.00 175.35 174.31 3h88 s PRO 86 N 1.15 4.19 0.02 4.03 0.04 -1.26 -0.54 135.00 142.63 3h88 s PRO 86 Ca 0.68 1.66 0.06 0.00 0.04 0.00 0.00 61.00 63.44 3h88 s PRO 86 Cb -0.40 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 3h88 s PRO 86 CO 0.31 -0.15 -0.18 -0.51 0.04 0.00 0.00 177.00 176.50 3h88 s LEU 87 N -2.42 2.12 -0.14 -3.56 1.43 0.79 -4.58 118.68 112.32 3h88 s LEU 87 Ca 0.56 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3h88 s LEU 87 Cb -0.26 -0.87 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 3h88 s LEU 87 CO 0.33 0.16 -0.16 -0.22 0.23 0.00 0.00 176.35 176.69 3h88 s LEU 88 N -0.87 2.48 -0.08 1.79 2.96 -1.26 -0.83 118.68 122.86 3h88 s LEU 88 Ca 0.06 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 3h88 s LEU 88 Cb -0.08 -1.55 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 3h88 s LEU 88 CO 0.01 0.12 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.29 3h88 s ILE 89 N 0.60 2.04 0.09 6.68 -1.09 -0.40 -4.93 121.20 124.18 3h88 s ILE 89 Ca -0.09 -1.03 -0.00 0.00 -2.23 0.00 0.00 60.65 57.29 3h88 s ILE 89 Cb -0.16 -1.75 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 3h88 s ILE 89 CO 0.03 0.56 0.24 -0.76 -1.23 0.00 0.00 174.94 173.79 3h88 s LEU 90 N 0.12 4.34 0.32 2.97 1.43 -1.26 -0.88 118.68 125.72 3h88 s LEU 90 Ca -0.12 0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3h88 s LEU 90 Cb -0.16 -2.99 -0.01 0.00 0.03 0.00 0.00 46.19 43.06 3h88 s LEU 90 CO 0.07 0.13 0.40 -0.94 0.23 0.00 0.00 176.35 176.24 3h88 s SER 91 N -2.64 0.91 0.70 2.29 1.04 0.28 -4.67 113.70 111.62 3h88 s SER 91 Ca 0.36 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.30 3h88 s SER 91 Cb -0.13 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3h88 s SER 91 CO 0.28 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3h88 n GLY 92 N -0.53 2.17 0.24 7.32 0.00 -1.26 -1.56 105.19 111.56 3h88 n GLY 92 Ca 0.02 -0.39 0.03 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 0.18 -0.54 1.61 5.75 -1.94 -2.26 115.11 117.91 3h88 h GLN 93 Ca 0.00 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 3h88 h GLN 93 Cb 0.00 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 3h88 h GLN 93 CO 0.00 0.32 0.11 0.00 -2.65 0.00 0.00 178.83 176.62 3h88 h ALA 94 N 1.70 0.72 -0.24 3.38 0.00 -1.71 -1.95 119.26 121.15 3h88 h ALA 94 Ca 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3h88 h ALA 94 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3h88 h ALA 94 CO 0.02 0.43 -0.14 0.00 0.00 0.00 0.00 179.25 179.57 3h88 h ALA 95 N 1.00 1.33 -0.11 0.00 0.00 -0.73 -0.60 119.26 120.15 3h88 h ALA 95 Ca 0.17 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3h88 h ALA 95 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h88 h ALA 95 CO 0.01 0.45 -0.30 1.49 0.00 0.00 0.00 179.25 180.90 3h88 h GLU 96 N 0.37 0.39 -0.67 0.00 4.57 -1.30 0.82 114.58 118.75 3h88 h GLU 96 Ca 0.07 -0.28 -0.04 0.00 -1.18 0.00 0.00 59.36 57.93 3h88 h GLU 96 Cb 0.46 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 3h88 h GLU 96 CO 0.03 0.89 0.27 -0.07 -1.18 0.00 0.00 179.01 178.95 3h88 h LEU 97 N -0.05 0.93 -0.76 1.64 3.38 -1.23 -1.35 115.31 117.87 3h88 h LEU 97 Ca -0.01 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3h88 h LEU 97 Cb 0.91 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3h88 h LEU 97 CO 0.06 0.84 0.20 0.00 0.09 0.00 0.00 178.44 179.64 3h88 h ALA 98 N 1.12 0.99 -0.53 1.53 0.00 -0.97 -0.91 119.26 120.50 3h88 h ALA 98 Ca 0.23 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3h88 h ALA 98 Cb 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3h88 h ALA 98 CO -0.02 0.67 0.32 1.03 0.00 0.00 0.00 179.25 181.25 3h88 h SER 99 N 1.09 0.53 -0.88 0.00 0.87 -0.57 0.07 113.55 114.66 3h88 h SER 99 Ca 0.23 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.90 3h88 h SER 99 Cb 0.34 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 62.10 3h88 h SER 99 CO -0.00 0.37 0.52 1.56 -0.53 0.00 0.00 176.83 178.75 3h88 h GLN 100 N 0.64 0.81 -0.00 2.24 7.50 -0.69 -1.68 115.11 123.94 3h88 h GLN 100 Ca 0.21 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.31 3h88 h GLN 100 Cb 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.35 3h88 h GLN 100 CO -0.08 0.54 -0.06 1.28 -1.50 0.00 0.00 178.83 179.00 3h88 n LEU 101 N -4.72 0.11 -2.09 1.46 4.77 -0.40 -4.91 117.00 111.23 3h88 n LEU 101 Ca 0.16 0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 56.29 3h88 n LEU 101 Cb 0.32 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3h88 n LEU 101 CO 0.26 0.02 -0.02 0.00 -1.33 0.00 0.00 177.39 176.33 3h88 n GLN 102 N -1.33 -3.17 -1.80 3.23 6.02 -0.39 -4.88 117.38 115.06 3h88 n GLN 102 Ca 0.11 0.63 -0.42 0.00 -0.01 0.00 0.00 57.00 57.31 3h88 n GLN 102 Cb 0.29 -4.89 -0.03 0.00 1.02 0.00 0.00 30.24 26.63 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 -2.95 2.21 -0.00 5.09 1.01 -0.13 -4.41 120.40 121.23 3h88 s VAL 103 Ca 0.19 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3h88 s VAL 103 Cb -0.08 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 3h88 s VAL 103 CO 0.23 0.01 0.00 1.21 0.00 0.00 0.00 175.10 176.56 3h88 n GLU 104 N 3.65 1.20 -4.00 2.72 4.07 0.06 -4.82 120.64 123.52 3h88 n GLU 104 Ca 0.14 -0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 57.08 3h88 n GLU 104 Cb 0.37 -1.00 -0.15 0.00 -0.06 0.00 0.00 31.44 30.59 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 3h88 s ASN 105 N -2.32 0.42 -0.06 4.31 -0.87 -0.83 -5.02 114.94 110.56 3h88 s ASN 105 Ca -0.00 -0.05 0.04 0.00 -1.57 0.00 0.00 52.86 51.28 3h88 s ASN 105 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.25 41.09 3h88 s ASN 105 CO 0.01 -0.03 -0.18 -0.63 -2.57 0.00 0.00 177.10 173.70 3h88 s ILE 106 N 0.48 1.52 -0.06 0.60 1.01 -1.26 -0.73 121.20 122.75 3h88 s ILE 106 Ca -0.05 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.88 3h88 s ILE 106 Cb -0.08 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.09 3h88 s ILE 106 CO -0.01 0.44 -0.11 -1.00 0.00 0.00 0.00 174.94 174.26 3h88 s HIS 107 N 0.23 1.35 -0.03 3.97 3.76 -0.52 -4.83 115.29 119.22 3h88 s HIS 107 Ca -0.09 -0.50 0.03 0.00 -0.15 0.00 0.00 55.06 54.35 3h88 s HIS 107 Cb -0.14 -1.02 0.00 0.00 1.11 0.00 0.00 32.58 32.54 3h88 s HIS 107 CO 0.04 -0.28 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.38 3h88 s LEU 108 N 0.75 1.84 0.03 0.89 2.96 -1.26 -0.91 118.68 122.99 3h88 s LEU 108 Ca -0.13 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3h88 s LEU 108 Cb -0.15 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.89 3h88 s LEU 108 CO 0.03 0.09 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.50 3h88 s SER 109 N 0.10 1.09 0.02 3.68 0.15 -0.35 -4.65 113.70 113.75 3h88 s SER 109 Ca -0.02 -0.40 0.05 0.00 0.70 0.00 0.00 55.95 56.28 3h88 s SER 109 Cb -0.09 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.16 3h88 s SER 109 CO 0.01 -0.05 -0.16 -0.63 1.20 0.00 0.00 173.24 173.61 3h88 s ILE 110 N -0.87 1.27 -0.00 6.45 1.01 -1.26 -0.85 121.20 126.94 3h88 s ILE 110 Ca -0.03 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 3h88 s ILE 110 Cb -0.07 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.30 3h88 s ILE 110 CO 0.01 0.16 0.18 -0.55 0.00 0.00 0.00 174.94 174.73 3h88 s SER 111 N -0.89 -0.03 0.03 3.58 0.15 -1.26 -5.01 113.70 110.28 3h88 s SER 111 Ca 0.04 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 3h88 s SER 111 Cb -0.07 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 3h88 s SER 111 CO 0.01 -0.38 0.01 1.51 1.20 0.00 0.00 173.24 175.59 3h88 s ASP 112 N -1.31 0.28 0.00 5.45 -4.77 -1.26 -4.41 116.67 110.65 3h88 s ASP 112 Ca -0.14 -0.62 0.00 0.00 -3.30 0.00 0.00 52.55 48.49 3h88 s ASP 112 Cb -0.07 0.16 0.00 0.00 -1.09 0.00 0.00 42.92 41.92 3h88 s ASP 112 CO 0.02 -0.43 0.00 -0.62 0.70 0.00 0.00 175.17 174.84 3h88 n GLU 113 N 1.00 3.00 -0.20 2.11 -0.58 -0.24 -5.00 120.64 120.74 3h88 n GLU 113 Ca -0.20 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.55 3h88 n GLU 113 Cb 0.57 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 31.55 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 0.19 0.00 3.49 3.08 -2.04 -3.31 114.38 115.80 3h88 h ARG 114 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3h88 h ARG 114 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3h88 h ARG 114 CO 0.00 0.13 -1.41 0.72 -1.07 0.00 0.00 179.97 178.34 3h88 n HIS 115 N -5.19 0.00 -4.31 3.04 8.25 -1.26 -4.91 115.22 110.85 3h88 n HIS 115 Ca 0.09 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.37 3h88 n HIS 115 Cb 0.34 -0.24 -0.14 0.00 1.12 0.00 0.00 29.99 31.07 3h88 n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3h88 s TYR 116 N -2.75 0.78 0.48 4.41 2.02 -1.25 -0.90 117.35 120.16 3h88 s TYR 116 Ca -0.03 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.53 3h88 s TYR 116 Cb 0.08 -0.50 -0.01 0.00 -0.40 0.00 0.00 41.96 41.14 3h88 s TYR 116 CO 0.51 -0.01 0.24 0.00 -1.57 0.00 0.00 175.55 174.72 3h88 s ALA 117 N -0.37 4.04 0.00 3.71 0.00 -0.32 -1.08 121.76 127.74 3h88 s ALA 117 Ca 0.02 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3h88 s ALA 117 Cb -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3h88 s ALA 117 CO -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 175.76 175.51 3h88 n ALA 119 N -1.46 0.00 -2.74 0.00 0.00 -0.78 -0.18 120.51 115.35 3h88 n ALA 119 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 3h88 n ALA 119 Cb 0.65 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.96 3h88 n ALA 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3h88 s THR 120 N -2.00 0.59 -0.04 0.00 2.01 -0.03 -1.57 115.64 114.61 3h88 s THR 120 Ca 0.00 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.54 3h88 s THR 120 Cb 0.00 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.98 3h88 s THR 120 CO 0.00 0.05 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.15 3h88 s VAL 121 N -0.43 1.18 -0.08 3.82 1.01 -0.28 -1.21 120.40 124.41 3h88 s VAL 121 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3h88 s VAL 121 Cb -0.04 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3h88 s VAL 121 CO -0.00 0.35 -0.19 -0.63 0.00 0.00 0.00 175.10 174.64 3h88 s ILE 122 N 0.20 1.62 -0.12 2.22 1.01 -0.08 -1.23 121.20 124.82 3h88 s ILE 122 Ca -0.06 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 3h88 s ILE 122 Cb -0.11 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3h88 s ILE 122 CO 0.02 0.46 -0.02 -0.76 0.00 0.00 0.00 174.94 174.64 3h88 s LEU 123 N 0.43 3.38 0.08 2.97 1.43 -0.12 -1.44 118.68 125.41 3h88 s LEU 123 Ca -0.15 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 3h88 s LEU 123 Cb -0.16 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3h88 s LEU 123 CO 0.06 0.27 -0.12 -1.83 0.23 0.00 0.00 176.35 174.97 3h88 s GLU 124 N -0.26 0.78 0.00 1.70 -1.05 0.09 -0.16 118.70 119.80 3h88 s GLU 124 Ca 0.05 -1.00 0.09 0.00 -0.15 0.00 0.00 54.97 53.96 3h88 s GLU 124 Cb -0.13 -0.63 0.07 0.00 -0.44 0.00 0.00 34.13 33.01 3h88 s GLU 124 CO 0.02 0.12 0.79 2.89 0.95 0.00 0.00 175.26 180.04