#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4o s SER 2 N 0.00 -0.43 0.30 1.61 1.04 -1.26 -5.18 113.70 109.77 1x4o s SER 2 Ca 0.00 -0.21 0.06 0.00 0.48 0.00 0.00 55.95 56.28 1x4o s SER 2 Cb 0.00 0.61 -0.06 0.00 0.10 0.00 0.00 66.02 66.67 1x4o s SER 2 CO 0.00 -1.05 -0.02 -0.44 0.98 0.00 0.00 173.24 172.71 1x4o s SER 3 N -2.79 2.73 0.00 7.02 0.01 -1.26 -5.13 113.70 114.29 1x4o s SER 3 Ca 0.05 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.06 1x4o s SER 3 Cb -0.03 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1x4o s SER 3 CO -0.06 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1x4o n GLY 4 N -0.63 -0.53 1.06 3.44 0.00 -1.26 -5.17 105.19 102.10 1x4o n GLY 4 Ca -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -5.75 -3.13 1.61 2.88 -1.26 -5.02 113.62 102.95 1x4o n SER 5 Ca 0.00 1.21 0.02 0.00 -1.33 0.00 0.00 58.87 58.78 1x4o n SER 5 Cb 0.00 -3.08 -0.00 0.00 -0.75 0.00 0.00 64.21 60.38 1x4o n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4o s SER 6 N -4.41 -1.31 0.00 -3.46 0.15 -1.26 -5.10 113.70 98.31 1x4o s SER 6 Ca 0.00 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1x4o s SER 6 Cb 0.00 1.72 0.00 0.00 -1.71 0.00 0.00 66.02 66.03 1x4o s SER 6 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1x4o n GLY 7 N 4.63 2.23 5.00 9.45 0.00 -1.26 -4.69 105.19 120.55 1x4o n GLY 7 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1x4o n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4o n LYS 8 N 13.97 0.00 -0.61 1.61 0.00 -1.26 -4.86 118.16 127.02 1x4o n LYS 8 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.01 1x4o n LYS 8 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 35.03 35.23 1x4o n LYS 8 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1x4o n VAL 9 N 0.00 0.00 -3.46 3.15 0.24 -1.26 -5.02 118.33 111.97 1x4o n VAL 9 Ca 0.00 -0.22 -0.19 0.00 -2.04 0.00 0.00 64.34 61.89 1x4o n VAL 9 Cb 0.00 -0.92 -0.01 0.00 -1.47 0.00 0.00 33.84 31.44 1x4o n VAL 9 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1x4o s SER 10 N -2.41 5.78 0.84 -1.34 1.04 -1.26 -5.06 113.70 111.29 1x4o s SER 10 Ca 0.66 -0.29 -0.12 0.00 0.48 0.00 0.00 55.95 56.67 1x4o s SER 10 Cb -0.23 -1.08 0.10 0.00 0.10 0.00 0.00 66.02 64.91 1x4o s SER 10 CO 0.63 -0.48 1.11 -2.16 0.98 0.00 0.00 173.24 173.32 1x4o s PRO 11 N -4.17 1.71 1.02 4.02 0.04 -1.26 -4.79 135.00 131.57 1x4o s PRO 11 Ca 0.46 0.50 -0.17 0.00 0.04 0.00 0.00 61.00 61.82 1x4o s PRO 11 Cb -0.09 -1.89 0.24 0.00 0.04 0.00 0.00 34.50 32.81 1x4o s PRO 11 CO 0.30 -1.85 1.12 -0.35 0.04 0.00 0.00 177.00 176.27 1x4o n PRO 12 N -3.56 -2.07 -0.13 0.56 -0.04 -1.26 -4.89 135.00 123.61 1x4o n PRO 12 Ca 0.07 -1.76 -0.22 0.00 -0.04 0.00 0.00 63.50 61.55 1x4o n PRO 12 Cb 0.57 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.54 1x4o n PRO 12 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x4o n GLU 13 N -4.08 0.63 -2.08 0.54 1.02 -1.26 -4.87 120.64 110.54 1x4o n GLU 13 Ca 0.15 0.19 -0.43 0.00 -0.02 0.00 0.00 57.16 57.05 1x4o n GLU 13 Cb 0.54 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 1x4o n GLU 13 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x4o s ASP 14 N -6.83 6.15 0.09 1.62 1.01 -1.26 -4.89 116.67 112.56 1x4o s ASP 14 Ca -0.36 1.39 -0.30 0.00 0.71 0.00 0.00 52.55 53.99 1x4o s ASP 14 Cb 0.11 -2.53 -0.14 0.00 1.01 0.00 0.00 42.92 41.37 1x4o s ASP 14 CO 0.57 -1.48 1.63 -0.08 0.21 0.00 0.00 175.17 176.02 1x4o h GLU 15 N 11.71 -0.67 -1.45 8.23 4.81 -2.00 -0.87 114.58 134.34 1x4o h GLU 15 Ca -0.33 0.05 0.42 0.00 -0.13 0.00 0.00 59.36 59.36 1x4o h GLU 15 Cb 1.16 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.63 1x4o h GLU 15 CO 1.02 -0.45 1.16 0.93 -0.73 0.00 0.00 179.01 180.95 1x4o h GLU 16 N -0.70 0.00 0.16 1.92 5.08 -2.00 0.43 114.58 119.47 1x4o h GLU 16 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1x4o h GLU 16 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1x4o h GLU 16 CO -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 179.01 177.92 1x4o h ALA 17 N 1.04 -0.21 -1.80 3.43 0.00 -1.57 0.02 119.26 120.17 1x4o h ALA 17 Ca 0.69 -0.14 0.55 0.00 0.00 0.00 0.00 54.91 56.01 1x4o h ALA 17 Cb 3.00 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 20.77 1x4o h ALA 17 CO -0.01 -0.22 1.26 -0.22 0.00 0.00 0.00 179.25 180.07 1x4o h LYS 18 N -1.01 0.00 0.00 0.00 3.64 0.52 1.65 116.57 121.37 1x4o h LYS 18 Ca -0.02 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1x4o h LYS 18 Cb 0.34 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1x4o h LYS 18 CO 0.04 0.00 -0.54 -0.97 -2.27 0.00 0.00 179.45 175.70 1x4o h ASN 19 N 0.00 0.00 -0.18 4.20 -0.73 -1.36 -3.12 115.58 114.39 1x4o h ASN 19 Ca 0.93 -0.61 0.05 0.00 1.87 0.00 0.00 56.30 58.54 1x4o h ASN 19 Cb 3.51 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 42.04 1x4o h ASN 19 CO -0.16 1.12 -0.17 -0.07 -0.37 0.00 0.00 177.43 177.78 1x4o h LEU 20 N -1.00 -0.53 -0.02 0.34 3.38 0.27 0.41 115.31 118.17 1x4o h LEU 20 Ca -0.14 0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1x4o h LEU 20 Cb 0.97 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1x4o h LEU 20 CO -0.08 -0.21 -0.26 0.00 0.09 0.00 0.00 178.44 177.98 1x4o h ALA 21 N 0.90 -0.70 -0.10 1.53 0.00 0.18 0.44 119.26 121.51 1x4o h ALA 21 Ca 0.11 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1x4o h ALA 21 Cb 0.35 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1x4o h ALA 21 CO -0.29 -0.78 -0.37 1.49 0.00 0.00 0.00 179.25 179.30 1x4o h GLU 22 N -0.31 -0.38 -0.94 0.00 4.81 -1.42 -1.46 114.58 114.88 1x4o h GLU 22 Ca 0.01 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1x4o h GLU 22 Cb 0.34 0.09 -0.12 0.00 0.63 0.00 0.00 28.75 29.69 1x4o h GLU 22 CO -0.18 -0.25 -0.58 0.87 -0.73 0.00 0.00 179.01 178.13 1x4o h LYS 23 N -0.40 -0.03 -0.28 1.92 1.57 0.05 1.50 116.57 120.90 1x4o h LYS 23 Ca 0.02 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1x4o h LYS 23 Cb 0.46 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1x4o h LYS 23 CO -0.30 -0.02 -0.17 1.25 -0.57 0.00 0.00 179.45 179.64 1x4o h LEU 24 N -0.03 -0.63 -0.27 2.94 7.12 0.56 0.90 115.31 125.90 1x4o h LEU 24 Ca 0.15 0.10 0.06 0.00 0.13 0.00 0.00 57.88 58.32 1x4o h LEU 24 Cb 0.42 0.28 -0.06 0.00 -0.53 0.00 0.00 40.66 40.76 1x4o h LEU 24 CO -0.90 -0.07 -0.15 0.00 -0.13 0.00 0.00 178.44 177.19 1x4o h ALA 25 N -0.58 0.06 -1.02 1.25 0.00 -0.04 0.94 119.26 119.88 1x4o h ALA 25 Ca 0.05 0.10 0.30 0.00 0.00 0.00 0.00 54.91 55.36 1x4o h ALA 25 Cb 0.12 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.12 1x4o h ALA 25 CO -0.27 -0.55 0.60 -0.09 0.00 0.00 0.00 179.25 178.94 1x4o h ARG 26 N -0.12 0.39 0.00 0.00 2.43 0.47 1.51 114.38 119.06 1x4o h ARG 26 Ca 0.14 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1x4o h ARG 26 Cb 0.33 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1x4o h ARG 26 CO -0.34 0.26 -0.10 0.35 -1.51 0.00 0.00 179.97 178.62 1x4o h PHE 27 N 0.40 0.00 -0.17 2.20 3.57 0.30 -3.04 116.94 120.20 1x4o h PHE 27 Ca 0.70 0.00 0.05 0.00 3.53 0.00 0.00 57.97 62.25 1x4o h PHE 27 Cb 1.57 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.30 1x4o h PHE 27 CO -0.01 0.17 0.43 0.82 -2.23 0.00 0.00 178.31 177.49 1x4o h ILE 28 N -1.00 0.13 0.04 1.41 2.04 0.14 1.46 117.51 121.73 1x4o h ILE 28 Ca -0.01 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.63 1x4o h ILE 28 Cb 0.23 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1x4o h ILE 28 CO -0.01 0.00 -1.04 0.00 0.00 0.00 0.00 178.15 177.11 1x4o h ALA 29 N 1.29 0.33 0.00 1.87 0.00 0.20 -2.99 119.26 119.97 1x4o h ALA 29 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1x4o h ALA 29 Cb 0.94 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1x4o h ALA 29 CO -0.00 1.11 0.00 -0.25 0.00 0.00 0.00 179.25 180.11 1x4o n ASP 30 N -3.46 0.49 0.00 0.00 9.92 0.49 -4.63 116.55 119.37 1x4o n ASP 30 Ca -0.03 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 1x4o n ASP 30 Cb 0.93 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 1x4o n ASP 30 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x4o n GLY 31 N 0.34 0.63 0.00 0.44 0.00 -0.90 -5.10 105.19 100.59 1x4o n GLY 31 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 1.11 0.00 -0.02 0.00 -1.22 -4.95 105.19 105.12 1x4o n GLY 32 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 0.63 -0.11 1.61 -0.04 -1.26 -2.45 135.00 133.38 1x4o n PRO 33 Ca 0.00 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.23 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 -1.08 0.59 -0.22 0.54 2.13 -1.26 -4.03 120.64 117.32 1x4o n GLU 34 Ca 0.16 0.39 -0.07 0.00 0.66 0.00 0.00 57.16 58.30 1x4o n GLU 34 Cb 0.11 -1.61 0.03 0.00 0.27 0.00 0.00 31.44 30.24 1x4o n GLU 34 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1x4o h VAL 35 N -0.86 1.21 0.00 6.31 3.04 -1.88 0.01 116.25 124.08 1x4o h VAL 35 Ca -0.53 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.57 1x4o h VAL 35 Cb 1.53 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1x4o h VAL 35 CO -0.28 0.24 0.01 -1.84 -1.01 0.00 0.00 177.57 174.69 1x4o n GLU 36 N -4.52 0.13 -0.07 4.17 0.28 -1.03 0.16 120.64 119.77 1x4o n GLU 36 Ca 0.04 0.63 -0.05 0.00 -0.16 0.00 0.00 57.16 57.62 1x4o n GLU 36 Cb 0.12 -1.94 -0.02 0.00 1.43 0.00 0.00 31.44 31.03 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 -2.21 1.36 -0.21 3.84 -1.04 -0.14 -3.17 114.28 112.71 1x4o n THR 37 Ca -0.01 0.22 -0.08 0.00 -2.04 0.00 0.00 64.05 62.14 1x4o n THR 37 Cb 0.04 -2.33 0.03 0.00 -1.82 0.00 0.00 70.33 66.24 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 -0.94 1.23 -0.65 12.58 5.03 -0.95 1.46 117.51 135.28 1x4o h ILE 38 Ca 0.00 -0.76 -0.01 0.00 -0.12 0.00 0.00 64.86 63.97 1x4o h ILE 38 Cb 0.59 0.62 -0.03 0.00 -3.03 0.00 0.00 36.82 34.97 1x4o h ILE 38 CO 0.00 0.29 0.38 0.00 -0.68 0.00 0.00 178.15 178.15 1x4o h ALA 39 N 1.07 0.82 0.09 1.87 0.00 0.14 0.67 119.26 123.92 1x4o h ALA 39 Ca 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1x4o h ALA 39 Cb 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1x4o h ALA 39 CO -0.01 0.31 -0.04 -0.07 0.00 0.00 0.00 179.25 179.44 1x4o h LEU 40 N 0.88 -0.10 -1.26 0.00 3.38 -1.41 0.38 115.31 117.19 1x4o h LEU 40 Ca 0.23 0.00 0.44 0.00 0.09 0.00 0.00 57.88 58.65 1x4o h LEU 40 Cb -0.01 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.63 1x4o h LEU 40 CO -0.04 0.03 0.79 1.67 0.09 0.00 0.00 178.44 180.98 1x4o n GLN 41 N -2.88 -0.04 -0.05 1.13 7.27 0.50 0.42 117.38 123.73 1x4o n GLN 41 Ca -0.01 1.20 -0.06 0.00 0.07 0.00 0.00 57.00 58.20 1x4o n GLN 41 Cb 0.05 -2.33 -0.05 0.00 2.41 0.00 0.00 30.24 30.31 1x4o n GLN 41 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 1x4o h ASN 42 N 0.00 -0.01 -1.42 1.69 -0.73 -0.90 -3.28 115.58 110.93 1x4o h ASN 42 Ca 0.83 -0.39 0.43 0.00 1.87 0.00 0.00 56.30 59.03 1x4o h ASN 42 Cb 2.61 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 41.10 1x4o h ASN 42 CO -0.48 0.69 0.97 0.78 -0.37 0.00 0.00 177.43 179.02 1x4o h ASN 43 N -1.00 0.16 -0.38 1.15 2.35 0.43 0.18 115.58 118.47 1x4o h ASN 43 Ca -0.00 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1x4o h ASN 43 Cb 0.40 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.75 1x4o h ASN 43 CO 0.00 -0.07 -0.54 0.03 -1.65 0.00 0.00 177.43 175.20 1x4o h ARG 44 N 0.09 -0.39 -0.94 0.81 3.08 -0.28 0.23 114.38 116.97 1x4o h ARG 44 Ca 0.77 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.98 1x4o h ARG 44 Cb 2.68 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 32.74 1x4o h ARG 44 CO -0.23 -0.26 0.60 0.93 -1.07 0.00 0.00 179.97 179.94 1x4o h GLU 45 N -0.40 0.82 -6.77 0.04 5.08 -0.81 -3.40 114.58 109.14 1x4o h GLU 45 Ca 0.08 -0.05 -0.51 0.00 -1.00 0.00 0.00 59.36 57.88 1x4o h GLU 45 Cb 0.60 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.69 1x4o h GLU 45 CO -0.58 0.54 0.50 1.21 -1.00 0.00 0.00 179.01 179.68 1x4o s ASN 46 N -5.75 7.20 -0.17 1.42 3.84 0.79 -4.96 114.94 117.33 1x4o s ASN 46 Ca -0.11 2.28 -0.13 0.00 0.21 0.00 0.00 52.86 55.10 1x4o s ASN 46 Cb 0.22 -2.62 -0.23 0.00 -0.55 0.00 0.00 41.25 38.07 1x4o s ASN 46 CO 0.80 -0.22 0.27 1.67 -2.79 0.00 0.00 177.10 176.83 1x4o n GLN 47 N 1.51 0.67 -0.31 0.43 -0.06 -1.26 -4.14 117.38 114.21 1x4o n GLN 47 Ca 0.00 0.40 0.18 0.00 -2.00 0.00 0.00 57.00 55.57 1x4o n GLN 47 Cb 0.45 -1.72 0.37 0.00 -4.06 0.00 0.00 30.24 25.28 1x4o n GLN 47 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1x4o h ALA 48 N -0.21 1.55 -0.00 1.69 0.00 -1.92 0.56 119.26 120.93 1x4o h ALA 48 Ca -0.40 0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 1x4o h ALA 48 Cb 1.71 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.71 1x4o h ALA 48 CO -0.06 -0.52 0.31 1.19 0.00 0.00 0.00 179.25 180.17 1x4o n PHE 49 N -5.17 0.40 0.04 0.00 3.72 -1.26 -4.08 117.46 111.10 1x4o n PHE 49 Ca 0.26 -1.76 0.05 0.00 -0.05 0.00 0.00 57.45 55.95 1x4o n PHE 49 Cb 0.81 -1.75 -0.08 0.00 -0.94 0.00 0.00 39.48 37.53 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 2.68 0.63 0.12 4.37 3.41 0.19 -3.91 113.62 121.10 1x4o n SER 50 Ca 0.49 0.26 0.08 0.00 -0.26 0.00 0.00 58.87 59.44 1x4o n SER 50 Cb 0.81 0.67 0.43 0.00 -0.26 0.00 0.00 64.21 65.85 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 -2.69 0.54 0.06 7.33 1.16 -1.26 0.44 117.46 123.04 1x4o n PHE 51 Ca -0.07 0.27 -0.14 0.00 -1.87 0.00 0.00 57.45 55.65 1x4o n PHE 51 Cb 0.72 -0.94 -0.04 0.00 -1.61 0.00 0.00 39.48 37.61 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 0.59 0.00 5.98 3.38 -1.92 -2.94 115.31 120.41 1x4o h LEU 52 Ca 0.00 -0.45 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 1x4o h LEU 52 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1x4o h LEU 52 CO 0.00 1.24 -1.41 -1.22 0.09 0.00 0.00 178.44 177.14 1x4o n TYR 53 N -3.78 0.05 -1.47 1.13 4.01 0.07 -4.89 117.16 112.27 1x4o n TYR 53 Ca -0.07 0.02 -0.44 0.00 -0.16 0.00 0.00 57.90 57.26 1x4o n TYR 53 Cb 0.81 -0.65 -0.14 0.00 -0.31 0.00 0.00 39.34 39.05 1x4o n TYR 53 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1x4o n ASP 54 N -4.41 0.48 -0.02 7.72 9.92 0.17 -4.75 116.55 125.66 1x4o n ASP 54 Ca -0.25 0.22 -0.15 0.00 -0.53 0.00 0.00 54.79 54.08 1x4o n ASP 54 Cb 0.61 -0.95 -0.11 0.00 -0.64 0.00 0.00 41.12 40.03 1x4o n ASP 54 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1x4o h PRO 55 N 11.93 0.24 -0.88 -0.24 0.13 -1.88 -3.27 132.00 138.04 1x4o h PRO 55 Ca -0.07 -0.24 0.22 0.00 -0.87 0.00 0.00 66.00 65.04 1x4o h PRO 55 Cb 1.32 0.06 -0.16 0.00 0.13 0.00 0.00 31.00 32.36 1x4o h PRO 55 CO 1.33 0.93 0.01 -0.91 -0.23 0.00 0.00 178.00 179.14 1x4o h ASN 56 N -0.36 -0.41 -3.71 1.44 2.35 -1.99 -3.40 115.58 109.49 1x4o h ASN 56 Ca -0.03 0.24 -0.56 0.00 -0.55 0.00 0.00 56.30 55.40 1x4o h ASN 56 Cb 1.03 0.42 0.18 0.00 0.05 0.00 0.00 38.32 39.99 1x4o h ASN 56 CO 0.06 -0.26 0.08 -1.20 -1.65 0.00 0.00 177.43 174.46 1x4o n SER 57 N -5.41 0.42 0.02 5.81 7.64 -1.23 -4.92 113.62 115.94 1x4o n SER 57 Ca 0.18 0.68 -0.09 0.00 1.01 0.00 0.00 58.87 60.65 1x4o n SER 57 Cb 0.61 -1.39 -0.13 0.00 -1.01 0.00 0.00 64.21 62.28 1x4o n SER 57 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1x4o h GLN 58 N -0.15 0.04 -0.49 1.43 4.20 -1.87 -3.35 115.11 114.92 1x4o h GLN 58 Ca -0.47 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.27 1x4o h GLN 58 Cb 1.34 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 29.05 1x4o h GLN 58 CO 0.47 0.80 -0.16 0.78 -0.67 0.00 0.00 178.83 180.05 1x4o h GLY 59 N 3.03 0.26 -0.84 3.46 0.00 -1.89 -0.64 103.07 106.45 1x4o h GLY 59 Ca -0.16 0.21 0.21 0.00 0.00 0.00 0.00 47.33 47.59 1x4o h GLY 59 CO 0.11 -0.20 -0.12 -1.82 0.00 0.00 0.00 176.54 174.51 1x4o h TYR 60 N -0.05 -0.31 0.50 5.60 3.20 -1.65 0.88 116.97 125.14 1x4o h TYR 60 Ca 0.23 0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 1x4o h TYR 60 Cb 0.41 0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1x4o h TYR 60 CO -0.45 -0.39 -0.24 0.00 -1.64 0.00 0.00 178.16 175.44 1x4o h ARG 61 N 0.01 -0.65 -0.79 1.82 3.08 -1.35 -1.33 114.38 115.18 1x4o h ARG 61 Ca 0.49 0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.76 1x4o h ARG 61 Cb 0.86 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 1x4o h ARG 61 CO -0.91 -0.36 0.53 -0.92 -1.07 0.00 0.00 179.97 177.23 1x4o h TYR 62 N -0.83 0.41 0.00 3.04 5.03 -0.16 -0.96 116.97 123.50 1x4o h TYR 62 Ca -0.07 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.25 1x4o h TYR 62 Cb 0.58 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1x4o h TYR 62 CO -0.01 0.14 -0.00 -0.92 -1.32 0.00 0.00 178.16 176.05 1x4o h TYR 63 N 0.34 -0.00 -0.32 -3.82 3.20 0.96 -2.91 116.97 114.42 1x4o h TYR 63 Ca 0.39 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.31 1x4o h TYR 63 Cb 1.03 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.26 1x4o h TYR 63 CO -0.00 0.37 0.03 0.00 -1.64 0.00 0.00 178.16 176.92 1x4o h ARG 64 N -0.37 0.13 -0.33 1.82 2.47 -0.06 -2.11 114.38 115.93 1x4o h ARG 64 Ca -0.00 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1x4o h ARG 64 Cb 0.37 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.59 1x4o h ARG 64 CO 0.00 0.08 -0.54 0.37 0.56 0.00 0.00 179.97 180.45 1x4o h GLN 65 N 0.13 -0.41 -1.03 0.04 4.15 -1.24 0.60 115.11 117.35 1x4o h GLN 65 Ca 0.15 0.03 0.27 0.00 0.77 0.00 0.00 58.65 59.87 1x4o h GLN 65 Cb 0.19 0.09 -0.08 0.00 0.21 0.00 0.00 27.48 27.89 1x4o h GLN 65 CO -0.23 -0.28 0.68 0.87 -1.93 0.00 0.00 178.83 177.95 1x4o h LYS 66 N -0.43 0.29 -0.58 1.69 1.79 -1.28 0.83 116.57 118.88 1x4o h LYS 66 Ca 0.06 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1x4o h LYS 66 Cb 0.59 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 1x4o h LYS 66 CO -0.54 0.19 0.34 1.25 -1.08 0.00 0.00 179.45 179.61 1x4o h LEU 67 N 0.30 0.71 -0.13 2.94 5.85 0.81 0.11 115.31 125.90 1x4o h LEU 67 Ca 0.55 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 59.04 1x4o h LEU 67 Cb 1.59 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.44 1x4o h LEU 67 CO -0.20 0.58 -0.56 -0.78 -0.34 0.00 0.00 178.44 177.13 1x4o h ASP 68 N 0.78 0.72 -0.89 1.25 1.82 0.19 0.43 116.42 120.72 1x4o h ASP 68 Ca 0.21 -0.62 0.11 0.00 -0.39 0.00 0.00 57.03 56.33 1x4o h ASP 68 Cb 0.01 -0.21 -0.08 0.00 0.68 0.00 0.00 39.33 39.73 1x4o h ASP 68 CO -0.04 1.22 0.52 -0.08 -1.61 0.00 0.00 179.24 179.26 1x4o h GLU 69 N 0.26 0.80 0.00 0.28 4.57 0.35 0.04 114.58 120.89 1x4o h GLU 69 Ca -0.03 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1x4o h GLU 69 Cb 1.19 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1x4o h GLU 69 CO 0.12 0.53 -0.15 0.74 -1.18 0.00 0.00 179.01 179.07 1x4o h PHE 70 N 0.83 0.00 -0.79 0.92 0.04 -0.76 -3.37 116.94 113.80 1x4o h PHE 70 Ca 0.44 0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.28 1x4o h PHE 70 Cb 0.46 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.51 1x4o h PHE 70 CO -0.05 0.32 -0.52 0.00 -0.60 0.00 0.00 178.31 177.46 1x4o h ARG 71 N -1.00 -0.06 -5.63 1.51 3.08 -0.05 -3.47 114.38 108.77 1x4o h ARG 71 Ca -0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1x4o h ARG 71 Cb 0.38 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1x4o h ARG 71 CO -0.01 -0.04 -0.86 1.63 -1.07 0.00 0.00 179.97 179.62 1x4o n LYS 72 N -5.00 -2.34 -2.76 0.04 4.76 -0.01 -5.01 118.16 107.84 1x4o n LYS 72 Ca 0.01 2.01 -0.04 0.00 -2.87 0.00 0.00 58.31 57.42 1x4o n LYS 72 Cb 0.24 -4.24 0.01 0.00 -1.84 0.00 0.00 35.03 29.20 1x4o n LYS 72 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x4o n SER 73 N 0.27 -3.44 0.00 4.39 2.88 -1.26 -5.08 113.62 111.38 1x4o n SER 73 Ca 0.03 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1x4o n SER 73 Cb 0.36 1.76 0.00 0.00 -0.75 0.00 0.00 64.21 65.58 1x4o n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4o n GLY 74 N 2.90 0.45 2.76 0.46 0.00 -1.26 -5.04 105.19 105.46 1x4o n GLY 74 Ca 0.18 0.50 -0.38 0.00 0.00 0.00 0.00 46.02 46.32 1x4o n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4o n PRO 75 N 0.00 2.38 -4.17 1.61 -0.04 -1.26 -4.84 135.00 128.69 1x4o n PRO 75 Ca 0.00 -2.05 -0.17 0.00 -0.04 0.00 0.00 63.50 61.24 1x4o n PRO 75 Cb 0.00 -2.91 -0.12 0.00 -0.04 0.00 0.00 33.50 30.42 1x4o n PRO 75 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x4o s SER 76 N 3.68 1.46 0.29 3.54 1.04 -1.26 -5.04 113.70 117.40 1x4o s SER 76 Ca 0.53 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1x4o s SER 76 Cb 0.14 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1x4o s SER 76 CO -0.00 -0.09 0.00 -0.24 0.98 0.00 0.00 173.24 173.89 1x4o n SER 77 N 1.43 -0.95 0.00 7.02 2.88 -1.26 -5.12 113.62 117.62 1x4o n SER 77 Ca -0.21 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1x4o n SER 77 Cb 0.54 1.06 0.00 0.00 -0.75 0.00 0.00 64.21 65.06 1x4o n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42