#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4o h SER 2 N 0.00 -1.52 -5.00 1.61 0.87 -2.13 -3.45 113.55 103.93 1x4o h SER 2 Ca 0.00 0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 1x4o h SER 2 Cb 0.00 0.59 -0.19 0.00 -0.44 0.00 0.00 62.40 62.36 1x4o h SER 2 CO 0.00 -0.49 0.15 -0.55 -0.53 0.00 0.00 176.83 175.41 1x4o s SER 3 N -4.79 -0.61 0.00 6.23 0.15 -1.26 -5.16 113.70 108.26 1x4o s SER 3 Ca -0.16 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1x4o s SER 3 Cb 0.08 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1x4o s SER 3 CO 0.62 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1x4o n GLY 4 N 0.85 0.73 1.14 9.45 0.00 -1.26 -5.08 105.19 111.02 1x4o n GLY 4 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1x4o n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4o n SER 5 N 0.00 0.51 -1.45 1.61 2.88 -1.26 -5.15 113.62 110.76 1x4o n SER 5 Ca 0.00 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1x4o n SER 5 Cb 0.00 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1x4o n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4o n SER 6 N -3.24 -7.82 0.00 -3.46 7.64 -1.26 -5.06 113.62 100.43 1x4o n SER 6 Ca 0.00 1.67 0.00 0.00 1.01 0.00 0.00 58.87 61.55 1x4o n SER 6 Cb 0.21 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 58.83 1x4o n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4o n GLY 7 N -2.36 -0.29 3.53 0.23 0.00 -1.26 -5.13 105.19 99.91 1x4o n GLY 7 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1x4o n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4o s LYS 8 N 0.00 1.85 -0.26 1.61 2.20 -1.26 -5.14 119.74 118.73 1x4o s LYS 8 Ca 0.00 -1.73 -0.26 0.00 -0.36 0.00 0.00 55.97 53.63 1x4o s LYS 8 Cb 0.00 -1.85 0.12 0.00 -1.51 0.00 0.00 37.83 34.59 1x4o s LYS 8 CO 0.00 0.29 1.01 0.54 -0.36 0.00 0.00 175.35 176.83 1x4o s VAL 9 N -2.49 0.00 0.35 4.02 0.11 -1.26 -5.17 120.40 115.96 1x4o s VAL 9 Ca 0.31 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.44 1x4o s VAL 9 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1x4o s VAL 9 CO 0.17 0.00 0.18 -0.94 -3.33 0.00 0.00 175.10 171.17 1x4o s SER 10 N 0.07 4.78 0.59 3.54 1.04 -1.26 -5.08 113.70 117.38 1x4o s SER 10 Ca 0.02 -0.74 -0.15 0.00 0.48 0.00 0.00 55.95 55.56 1x4o s SER 10 Cb -0.04 -0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.29 1x4o s SER 10 CO -0.05 -0.33 1.05 -2.16 0.98 0.00 0.00 173.24 172.73 1x4o s PRO 11 N -3.88 3.36 0.95 4.02 0.04 -1.26 -4.78 135.00 133.44 1x4o s PRO 11 Ca 0.39 1.15 -0.13 0.00 0.04 0.00 0.00 61.00 62.44 1x4o s PRO 11 Cb -0.03 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 32.63 1x4o s PRO 11 CO 0.23 -0.78 1.16 -1.25 0.04 0.00 0.00 177.00 176.40 1x4o s PRO 12 N -4.18 0.84 -0.14 0.56 0.04 -1.26 -5.02 135.00 125.84 1x4o s PRO 12 Ca 0.62 0.17 -0.09 0.00 0.04 0.00 0.00 61.00 61.75 1x4o s PRO 12 Cb -0.15 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1x4o s PRO 12 CO 0.38 -2.38 -0.10 0.93 0.04 0.00 0.00 177.00 175.88 1x4o h GLU 13 N -1.62 0.00 -5.99 4.56 5.08 -1.99 -3.45 114.58 111.16 1x4o h GLU 13 Ca -0.49 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.20 1x4o h GLU 13 Cb 1.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1x4o h GLU 13 CO 0.56 0.09 1.42 -0.25 -1.00 0.00 0.00 179.01 179.83 1x4o n ASP 14 N -4.64 2.19 -0.06 1.42 9.92 -1.26 -4.81 116.55 119.31 1x4o n ASP 14 Ca -0.08 0.40 -0.09 0.00 -0.53 0.00 0.00 54.79 54.50 1x4o n ASP 14 Cb 0.24 -1.28 -0.02 0.00 -0.64 0.00 0.00 41.12 39.43 1x4o n ASP 14 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1x4o h GLU 15 N 12.52 0.24 -1.02 -1.24 4.81 -2.00 -0.79 114.58 127.09 1x4o h GLU 15 Ca -0.28 -0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.23 1x4o h GLU 15 Cb 1.32 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1x4o h GLU 15 CO 1.02 0.16 0.85 0.93 -0.73 0.00 0.00 179.01 181.23 1x4o h GLU 16 N 0.24 0.00 0.11 1.92 5.08 -2.00 0.10 114.58 120.04 1x4o h GLU 16 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1x4o h GLU 16 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1x4o h GLU 16 CO -0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 179.01 177.88 1x4o h ALA 17 N 1.26 -0.15 -1.95 3.43 0.00 -1.52 0.18 119.26 120.51 1x4o h ALA 17 Ca 0.48 -0.14 0.56 0.00 0.00 0.00 0.00 54.91 55.81 1x4o h ALA 17 Cb 2.18 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.95 1x4o h ALA 17 CO -0.01 -0.16 1.41 -0.22 0.00 0.00 0.00 179.25 180.27 1x4o h LYS 18 N -1.00 0.00 0.00 0.00 3.64 -0.38 1.47 116.57 120.30 1x4o h LYS 18 Ca -0.02 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1x4o h LYS 18 Cb 0.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1x4o h LYS 18 CO 0.03 0.00 -0.83 -0.97 -2.27 0.00 0.00 179.45 175.41 1x4o h ASN 19 N 0.00 0.00 -0.09 4.20 -0.73 -1.38 -3.19 115.58 114.39 1x4o h ASN 19 Ca 0.92 -0.46 0.04 0.00 1.87 0.00 0.00 56.30 58.67 1x4o h ASN 19 Cb 3.73 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 42.27 1x4o h ASN 19 CO -0.01 1.21 -0.25 -0.07 -0.37 0.00 0.00 177.43 177.94 1x4o h LEU 20 N -1.00 -0.76 -0.13 0.34 3.38 0.26 1.09 115.31 118.49 1x4o h LEU 20 Ca -0.20 0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1x4o h LEU 20 Cb 1.02 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 1x4o h LEU 20 CO -0.12 -0.30 -0.52 0.00 0.09 0.00 0.00 178.44 177.58 1x4o h ALA 21 N 0.57 -0.84 0.33 1.53 0.00 0.14 1.40 119.26 122.40 1x4o h ALA 21 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1x4o h ALA 21 Cb 0.47 0.97 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1x4o h ALA 21 CO -0.28 -1.06 -0.37 1.49 0.00 0.00 0.00 179.25 179.02 1x4o h GLU 22 N -0.57 -0.71 -0.03 0.00 4.22 -1.41 0.36 114.58 116.44 1x4o h GLU 22 Ca 0.04 0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.55 1x4o h GLU 22 Cb 0.68 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 1x4o h GLU 22 CO -0.43 -0.47 -0.38 0.87 -2.18 0.00 0.00 179.01 176.42 1x4o h LYS 23 N -0.74 -0.43 -1.04 1.92 1.57 0.18 1.53 116.57 119.57 1x4o h LYS 23 Ca -0.02 0.03 0.27 0.00 -1.87 0.00 0.00 60.65 59.06 1x4o h LYS 23 Cb 0.67 0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.97 1x4o h LYS 23 CO -0.09 -0.29 0.64 1.25 -0.57 0.00 0.00 179.45 180.39 1x4o h LEU 24 N -0.45 0.55 0.02 2.94 7.12 0.20 1.45 115.31 127.15 1x4o h LEU 24 Ca 0.01 0.12 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 1x4o h LEU 24 Cb 0.50 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1x4o h LEU 24 CO -0.27 0.06 -0.01 0.00 -0.13 0.00 0.00 178.44 178.09 1x4o h ALA 25 N 1.69 -0.60 -1.12 1.25 0.00 0.26 0.93 119.26 121.67 1x4o h ALA 25 Ca 0.64 -0.01 0.32 0.00 0.00 0.00 0.00 54.91 55.87 1x4o h ALA 25 Cb 1.45 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1x4o h ALA 25 CO -0.41 -0.60 0.83 0.07 0.00 0.00 0.00 179.25 179.14 1x4o h ARG 26 N -0.05 0.00 0.25 0.00 -0.00 0.27 0.55 114.38 115.40 1x4o h ARG 26 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 1x4o h ARG 26 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.00 1x4o h ARG 26 CO 0.01 0.00 -0.12 0.35 -0.00 0.00 0.00 179.97 180.20 1x4o h PHE 27 N 0.00 -0.31 -0.72 4.08 3.57 0.20 -2.33 116.94 121.43 1x4o h PHE 27 Ca 0.53 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.12 1x4o h PHE 27 Cb 2.19 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 40.96 1x4o h PHE 27 CO 0.00 -0.20 0.36 0.82 -2.23 0.00 0.00 178.31 177.06 1x4o h ILE 28 N -0.65 0.83 -0.00 1.41 2.04 0.20 0.73 117.51 122.07 1x4o h ILE 28 Ca -0.03 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1x4o h ILE 28 Cb 0.26 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1x4o h ILE 28 CO 0.06 0.11 0.02 0.00 0.00 0.00 0.00 178.15 178.34 1x4o h ALA 29 N 1.45 1.11 0.00 1.87 0.00 -0.02 0.81 119.26 124.46 1x4o h ALA 29 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1x4o h ALA 29 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1x4o h ALA 29 CO -0.28 -0.02 -0.21 -3.47 0.00 0.00 0.00 179.25 175.27 1x4o n ASP 30 N -3.19 0.57 0.00 0.00 2.03 0.25 -4.78 116.55 111.43 1x4o n ASP 30 Ca -0.03 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1x4o n ASP 30 Cb 0.09 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1x4o n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4o n GLY 31 N 1.38 1.09 0.00 0.27 0.00 0.28 -5.08 105.19 103.13 1x4o n GLY 31 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1x4o n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4o n GLY 32 N 5.00 1.12 0.00 -0.02 0.00 -1.17 -4.95 105.19 105.17 1x4o n GLY 32 Ca 0.00 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1x4o n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4o n PRO 33 N 0.00 0.59 -0.10 1.61 -0.04 -1.26 -2.26 135.00 133.53 1x4o n PRO 33 Ca 0.00 0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.25 1x4o n PRO 33 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1x4o n PRO 33 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x4o n GLU 34 N -1.11 0.62 -0.20 0.54 4.07 -1.26 -4.10 120.64 119.19 1x4o n GLU 34 Ca 0.15 0.34 -0.09 0.00 -0.06 0.00 0.00 57.16 57.50 1x4o n GLU 34 Cb 0.12 -1.61 0.02 0.00 -0.06 0.00 0.00 31.44 29.91 1x4o n GLU 34 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 1x4o h VAL 35 N -0.65 1.26 0.00 6.31 3.04 -1.89 -1.29 116.25 123.04 1x4o h VAL 35 Ca -0.53 -1.02 0.00 0.00 -1.01 0.00 0.00 66.70 64.14 1x4o h VAL 35 Cb 1.64 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 1x4o h VAL 35 CO -0.22 0.37 0.04 -1.84 -1.01 0.00 0.00 177.57 174.92 1x4o n GLU 36 N -4.30 0.12 -0.04 4.17 0.28 -0.96 0.14 120.64 120.05 1x4o n GLU 36 Ca 0.03 0.61 -0.03 0.00 -0.16 0.00 0.00 57.16 57.60 1x4o n GLU 36 Cb 0.29 -1.93 -0.01 0.00 1.43 0.00 0.00 31.44 31.22 1x4o n GLU 36 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1x4o n THR 37 N -2.14 0.84 -0.34 3.84 -1.04 -0.55 -3.09 114.28 111.80 1x4o n THR 37 Ca -0.01 0.32 -0.03 0.00 -2.04 0.00 0.00 64.05 62.29 1x4o n THR 37 Cb 0.07 -2.02 0.09 0.00 -1.82 0.00 0.00 70.33 66.66 1x4o n THR 37 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1x4o h ILE 38 N -0.58 1.24 -0.05 12.58 5.03 -1.16 1.48 117.51 136.05 1x4o h ILE 38 Ca 0.00 -0.46 -0.00 0.00 -0.12 0.00 0.00 64.86 64.28 1x4o h ILE 38 Cb 0.37 -0.08 -0.00 0.00 -3.03 0.00 0.00 36.82 34.07 1x4o h ILE 38 CO 0.00 0.24 0.02 0.00 -0.68 0.00 0.00 178.15 177.73 1x4o h ALA 39 N 1.32 0.06 0.67 1.87 0.00 0.11 0.49 119.26 123.78 1x4o h ALA 39 Ca 0.33 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1x4o h ALA 39 Cb -0.11 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1x4o h ALA 39 CO -0.07 -0.39 -0.32 -0.07 0.00 0.00 0.00 179.25 178.40 1x4o h LEU 40 N -0.03 -0.76 -1.46 0.00 3.38 -1.36 0.29 115.31 115.36 1x4o h LEU 40 Ca 0.02 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.16 1x4o h LEU 40 Cb 0.10 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1x4o h LEU 40 CO -0.00 -0.38 0.74 -0.61 0.09 0.00 0.00 178.44 178.28 1x4o h GLN 41 N -1.24 0.00 0.00 1.13 4.15 0.20 0.35 115.11 119.70 1x4o h GLN 41 Ca -0.09 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.22 1x4o h GLN 41 Cb 0.69 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1x4o h GLN 41 CO 0.15 0.00 -0.65 -0.91 -1.93 0.00 0.00 178.83 175.49 1x4o h ASN 42 N 0.00 0.00 -0.96 -0.69 2.35 -0.56 -3.33 115.58 112.38 1x4o h ASN 42 Ca 0.24 -0.59 0.26 0.00 -0.55 0.00 0.00 56.30 55.66 1x4o h ASN 42 Cb 1.72 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 40.04 1x4o h ASN 42 CO -0.00 1.17 0.67 0.78 -1.65 0.00 0.00 177.43 178.40 1x4o h ASN 43 N -1.00 0.14 -0.66 5.81 -0.26 0.33 0.11 115.58 120.04 1x4o h ASN 43 Ca -0.17 0.02 0.14 0.00 -0.56 0.00 0.00 56.30 55.73 1x4o h ASN 43 Cb 1.02 -0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.16 1x4o h ASN 43 CO -0.10 0.04 -0.04 0.03 -1.06 0.00 0.00 177.43 176.30 1x4o h ARG 44 N 0.13 0.08 0.34 0.81 3.08 -0.93 -1.62 114.38 116.26 1x4o h ARG 44 Ca 0.48 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.51 1x4o h ARG 44 Cb 1.67 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.71 1x4o h ARG 44 CO -0.08 0.05 -0.16 0.93 -1.07 0.00 0.00 179.97 179.64 1x4o h GLU 45 N 0.08 -0.44 -6.92 0.04 5.08 -0.97 -3.43 114.58 108.03 1x4o h GLU 45 Ca 0.35 0.03 -0.54 0.00 -1.00 0.00 0.00 59.36 58.20 1x4o h GLU 45 Cb 0.57 0.10 0.10 0.00 0.50 0.00 0.00 28.75 30.02 1x4o h GLU 45 CO -0.60 -0.15 0.77 -0.80 -1.00 0.00 0.00 179.01 177.22 1x4o s ASN 46 N -4.98 6.42 -0.17 1.42 0.01 -0.61 -4.93 114.94 112.09 1x4o s ASN 46 Ca -0.15 2.98 -0.08 0.00 -0.71 0.00 0.00 52.86 54.90 1x4o s ASN 46 Cb 0.03 -2.66 -0.23 0.00 0.41 0.00 0.00 41.25 38.80 1x4o s ASN 46 CO 0.57 -0.82 0.20 0.00 -1.51 0.00 0.00 177.10 175.54 1x4o n GLN 47 N 0.68 0.70 -0.31 -0.60 6.02 -1.26 -4.20 117.38 118.41 1x4o n GLN 47 Ca 0.01 0.30 0.16 0.00 -0.01 0.00 0.00 57.00 57.47 1x4o n GLN 47 Cb 0.39 -1.67 0.34 0.00 1.02 0.00 0.00 30.24 30.32 1x4o n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x4o h ALA 48 N -0.10 1.42 0.00 -1.58 0.00 -1.91 -1.95 119.26 115.13 1x4o h ALA 48 Ca -0.45 0.25 -0.36 0.00 0.00 0.00 0.00 54.91 54.34 1x4o h ALA 48 Cb 1.86 0.35 0.01 0.00 0.00 0.00 0.00 17.79 20.02 1x4o h ALA 48 CO -0.02 -0.55 2.34 1.19 0.00 0.00 0.00 179.25 182.22 1x4o n PHE 49 N -5.26 1.25 0.03 0.00 3.72 -1.26 -4.09 117.46 111.84 1x4o n PHE 49 Ca 0.24 -1.89 0.09 0.00 -0.05 0.00 0.00 57.45 55.84 1x4o n PHE 49 Cb 0.79 -1.64 -0.10 0.00 -0.94 0.00 0.00 39.48 37.58 1x4o n PHE 49 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1x4o n SER 50 N 3.97 0.38 0.09 4.37 3.41 -0.73 -3.99 113.62 121.12 1x4o n SER 50 Ca 0.44 0.15 0.09 0.00 -0.26 0.00 0.00 58.87 59.29 1x4o n SER 50 Cb 0.19 1.22 0.40 0.00 -0.26 0.00 0.00 64.21 65.75 1x4o n SER 50 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1x4o n PHE 51 N -2.50 0.49 0.04 7.33 1.16 -1.26 -0.57 117.46 122.15 1x4o n PHE 51 Ca -0.05 0.21 -0.20 0.00 -1.87 0.00 0.00 57.45 55.54 1x4o n PHE 51 Cb 0.63 -0.84 -0.11 0.00 -1.61 0.00 0.00 39.48 37.55 1x4o n PHE 51 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1x4o h LEU 52 N 0.00 0.81 0.00 5.98 3.38 -1.88 -2.97 115.31 120.63 1x4o h LEU 52 Ca 0.00 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1x4o h LEU 52 Cb 0.21 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1x4o h LEU 52 CO 0.00 1.48 -0.31 1.88 0.09 0.00 0.00 178.44 181.57 1x4o h TYR 53 N 0.24 0.00 -1.11 1.13 0.05 -1.61 -3.45 116.97 112.22 1x4o h TYR 53 Ca -0.13 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.99 1x4o h TYR 53 Cb 1.65 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.37 1x4o h TYR 53 CO 0.12 0.00 1.43 -0.25 -1.05 0.00 0.00 178.16 178.40 1x4o n ASP 54 N -4.07 2.15 -0.04 3.88 8.00 0.26 -4.82 116.55 121.91 1x4o n ASP 54 Ca -0.04 0.39 -0.14 0.00 0.71 0.00 0.00 54.79 55.71 1x4o n ASP 54 Cb 0.16 -1.27 -0.11 0.00 -0.02 0.00 0.00 41.12 39.88 1x4o n ASP 54 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1x4o h PRO 55 N 12.54 0.06 -0.33 -0.24 0.13 -1.88 -3.12 132.00 139.16 1x4o h PRO 55 Ca -0.27 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 64.90 1x4o h PRO 55 Cb 1.32 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1x4o h PRO 55 CO 1.02 0.79 0.44 -0.91 -0.23 0.00 0.00 178.00 179.12 1x4o h ASN 56 N -0.66 0.00 -2.88 1.44 2.35 -1.97 -3.39 115.58 110.47 1x4o h ASN 56 Ca -0.01 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.17 1x4o h ASN 56 Cb 0.81 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.15 1x4o h ASN 56 CO 0.01 0.00 1.20 -0.55 -1.65 0.00 0.00 177.43 176.44 1x4o s SER 57 N -5.04 6.09 0.57 5.81 0.15 -1.18 -4.83 113.70 115.27 1x4o s SER 57 Ca -0.04 1.18 0.37 0.00 0.70 0.00 0.00 55.95 58.16 1x4o s SER 57 Cb 0.14 -2.53 1.45 0.00 -1.71 0.00 0.00 66.02 63.37 1x4o s SER 57 CO 0.48 -1.57 1.65 1.56 1.20 0.00 0.00 173.24 176.56 1x4o h GLN 58 N 11.95 0.00 -0.29 5.44 4.20 -1.87 1.16 115.11 135.71 1x4o h GLN 58 Ca -0.32 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.48 1x4o h GLN 58 Cb 1.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1x4o h GLN 58 CO 1.04 0.00 0.32 0.78 -0.67 0.00 0.00 178.83 180.30 1x4o h GLY 59 N 0.00 0.00 0.01 3.46 0.00 -1.88 -0.40 103.07 104.26 1x4o h GLY 59 Ca 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.92 1x4o h GLY 59 CO -0.01 0.00 -0.00 -1.82 0.00 0.00 0.00 176.54 174.71 1x4o h TYR 60 N 0.00 -0.01 -0.53 5.60 3.20 0.16 -2.72 116.97 122.67 1x4o h TYR 60 Ca 0.14 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.11 1x4o h TYR 60 Cb 0.78 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.94 1x4o h TYR 60 CO 0.00 -0.01 -0.27 0.00 -1.64 0.00 0.00 178.16 176.24 1x4o h ARG 61 N -0.81 -0.14 -0.92 1.82 3.08 -1.55 1.03 114.38 116.89 1x4o h ARG 61 Ca -0.00 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.11 1x4o h ARG 61 Cb 0.01 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1x4o h ARG 61 CO 0.00 -0.09 0.60 -0.92 -1.07 0.00 0.00 179.97 178.49 1x4o h TYR 62 N -0.14 1.09 -0.31 3.04 5.03 -1.25 -0.74 116.97 123.70 1x4o h TYR 62 Ca 0.23 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.44 1x4o h TYR 62 Cb 0.52 -0.36 -0.00 0.00 1.55 0.00 0.00 36.73 38.43 1x4o h TYR 62 CO -0.56 0.59 -0.31 -0.92 -1.32 0.00 0.00 178.16 175.64 1x4o h TYR 63 N 1.10 0.91 -0.91 -3.82 5.03 -0.20 -2.91 116.97 116.17 1x4o h TYR 63 Ca 0.39 -0.27 0.01 0.00 2.58 0.00 0.00 58.73 61.43 1x4o h TYR 63 Cb 0.13 -0.19 -0.05 0.00 1.55 0.00 0.00 36.73 38.17 1x4o h TYR 63 CO -0.00 1.04 0.60 0.00 -1.32 0.00 0.00 178.16 178.48 1x4o h ARG 64 N 0.52 1.18 0.54 1.82 2.47 0.16 -1.60 114.38 119.47 1x4o h ARG 64 Ca 0.05 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1x4o h ARG 64 Cb 0.89 -0.27 -0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1x4o h ARG 64 CO 0.08 0.78 -0.31 0.37 0.56 0.00 0.00 179.97 181.45 1x4o h GLN 65 N 1.22 -0.76 -0.83 0.04 4.15 -1.06 -0.54 115.11 117.33 1x4o h GLN 65 Ca 0.34 0.05 0.21 0.00 0.77 0.00 0.00 58.65 60.02 1x4o h GLN 65 Cb -0.12 0.17 -0.13 0.00 0.21 0.00 0.00 27.48 27.61 1x4o h GLN 65 CO -0.08 -0.51 0.17 0.87 -1.93 0.00 0.00 178.83 177.36 1x4o h LYS 66 N -0.79 0.19 0.00 1.69 1.79 -1.39 0.98 116.57 119.04 1x4o h LYS 66 Ca -0.07 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1x4o h LYS 66 Cb 0.62 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1x4o h LYS 66 CO 0.08 0.12 0.00 -0.11 -1.08 0.00 0.00 179.45 178.47 1x4o n LEU 67 N -5.25 0.00 -0.29 2.94 7.94 -0.61 -0.73 117.00 121.00 1x4o n LEU 67 Ca 0.18 0.93 0.10 0.00 -1.11 0.00 0.00 56.01 56.12 1x4o n LEU 67 Cb 0.60 -0.43 0.26 0.00 0.53 0.00 0.00 43.42 44.37 1x4o n LEU 67 CO 0.07 -0.43 1.03 -0.78 -1.11 0.00 0.00 177.39 176.16 1x4o h ASP 68 N 0.00 0.28 -0.30 1.96 1.82 -0.27 0.10 116.42 120.02 1x4o h ASP 68 Ca 0.00 0.14 0.04 0.00 -0.39 0.00 0.00 57.03 56.82 1x4o h ASP 68 Cb 0.00 0.13 -0.06 0.00 0.68 0.00 0.00 39.33 40.08 1x4o h ASP 68 CO 0.00 0.03 -0.42 -0.08 -1.61 0.00 0.00 179.24 177.16 1x4o h GLU 69 N 0.40 -0.29 0.83 0.28 4.22 0.15 0.79 114.58 120.96 1x4o h GLU 69 Ca 0.51 0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.93 1x4o h GLU 69 Cb 0.91 0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.24 1x4o h GLU 69 CO -0.50 -0.20 -0.40 0.74 -2.18 0.00 0.00 179.01 176.48 1x4o h PHE 70 N -0.31 -1.03 -0.92 0.92 0.04 0.23 -3.02 116.94 112.85 1x4o h PHE 70 Ca 0.05 -0.02 0.19 0.00 2.80 0.00 0.00 57.97 60.99 1x4o h PHE 70 Cb 0.45 0.34 -0.17 0.00 2.20 0.00 0.00 35.95 38.77 1x4o h PHE 70 CO -0.69 -0.63 -0.19 0.00 -0.60 0.00 0.00 178.31 176.20 1x4o h ARG 71 N -1.19 0.01 -3.45 1.51 3.08 -0.58 -1.09 114.38 112.67 1x4o h ARG 71 Ca -0.11 -0.00 -0.76 0.00 0.07 0.00 0.00 59.98 59.18 1x4o h ARG 71 Cb 0.86 -0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.75 1x4o h ARG 71 CO 0.19 0.00 1.99 1.63 -1.07 0.00 0.00 179.97 182.71 1x4o n LYS 72 N -5.57 3.68 -2.14 0.04 4.76 0.27 -4.78 118.16 114.42 1x4o n LYS 72 Ca 0.15 -3.56 0.00 0.00 -2.87 0.00 0.00 58.31 52.03 1x4o n LYS 72 Cb 0.50 -2.90 0.00 0.00 -1.84 0.00 0.00 35.03 30.79 1x4o n LYS 72 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x4o n SER 73 N 3.71 -8.53 -4.33 4.39 7.64 -0.46 -4.82 113.62 111.21 1x4o n SER 73 Ca 0.40 1.59 -0.17 0.00 1.01 0.00 0.00 58.87 61.69 1x4o n SER 73 Cb 0.36 -4.64 -0.10 0.00 -1.01 0.00 0.00 64.21 58.82 1x4o n SER 73 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4o s GLY 74 N -0.51 1.41 0.13 0.23 0.00 -0.89 -4.43 107.32 103.26 1x4o s GLY 74 Ca 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 44.72 42.99 1x4o s GLY 74 CO 0.00 -1.71 1.32 -0.56 0.00 0.00 0.00 173.10 172.16 1x4o h PRO 75 N 2.56 0.49 0.00 2.90 0.13 -1.91 -3.50 132.00 132.67 1x4o h PRO 75 Ca -0.38 -0.47 0.21 0.00 -0.87 0.00 0.00 66.00 64.49 1x4o h PRO 75 Cb 1.21 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1x4o h PRO 75 CO 0.64 1.11 -0.28 -1.13 -0.23 0.00 0.00 178.00 178.11 1x4o n SER 76 N -3.80 -4.73 -2.95 1.44 3.41 -1.26 -4.93 113.62 100.80 1x4o n SER 76 Ca -0.07 0.83 -0.10 0.00 -0.26 0.00 0.00 58.87 59.28 1x4o n SER 76 Cb 0.80 -2.55 0.01 0.00 -0.26 0.00 0.00 64.21 62.20 1x4o n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x4o n SER 77 N -4.35 -7.48 -0.63 4.04 7.64 -1.26 -5.27 113.62 106.31 1x4o n SER 77 Ca 0.01 0.69 0.13 0.00 1.01 0.00 0.00 58.87 60.71 1x4o n SER 77 Cb 0.35 -4.43 0.40 0.00 -1.01 0.00 0.00 64.21 59.52 1x4o n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64