#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 -0.20 0.08 1.61 0.01 -1.26 -5.17 113.70 108.77 1x4o s SER 2 Ca 0.00 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.58 1x4o s SER 2 Cb 0.00 0.64 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 1x4o s SER 2 CO 0.00 -1.20 0.16 -0.55 0.41 0.00 0.00 173.24 172.06 1x4o s SER 3 N -2.95 5.99 0.42 2.44 0.15 -1.26 -5.12 113.70 113.37 1x4o s SER 3 Ca 0.15 0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.94 1x4o s SER 3 Cb -0.03 -1.75 0.01 0.00 -1.71 0.00 0.00 66.02 62.54 1x4o s SER 3 CO 0.05 0.16 0.05 0.61 1.20 0.00 0.00 173.24 175.31 1x4o n GLY 4 N 0.30 3.56 3.33 9.45 0.00 -1.26 -5.17 105.19 115.41 1x4o n GLY 4 Ca -0.07 -2.33 -0.13 0.00 0.00 0.00 0.00 46.02 43.49 1x4o n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4o s SER 5 N -3.31 -0.32 -0.18 1.61 0.15 -1.26 -5.16 113.70 105.24 1x4o s SER 5 Ca 0.03 0.08 -0.07 0.00 0.70 0.00 0.00 55.95 56.70 1x4o s SER 5 Cb -0.00 0.43 0.08 0.00 -1.71 0.00 0.00 66.02 64.81 1x4o s SER 5 CO 0.02 -0.64 0.38 -0.94 1.20 0.00 0.00 173.24 173.27 1x4o s SER 6 N -1.86 -0.16 0.00 5.45 1.04 -1.26 -5.10 113.70 111.82 1x4o s SER 6 Ca -0.07 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1x4o s SER 6 Cb -0.01 1.13 0.00 0.00 0.10 0.00 0.00 66.02 67.24 1x4o s SER 6 CO -0.01 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1x4o n GLY 7 N 5.22 1.40 2.97 7.32 0.00 -1.26 -5.15 105.19 115.69 1x4o n GLY 7 Ca -0.10 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 1.74 1.03 0.00 1.61 2.47 -1.26 -4.99 119.74 120.34 1x4o s LYS 8 Ca 0.00 -0.25 0.00 0.00 -1.56 0.00 0.00 55.97 54.16 1x4o s LYS 8 Cb 0.00 -0.95 0.00 0.00 -1.46 0.00 0.00 37.83 35.42 1x4o s LYS 8 CO 0.00 0.03 0.00 1.33 0.16 0.00 0.00 175.35 176.87 1x4o n VAL 9 N 3.62 0.00 -0.79 4.02 0.24 -1.26 -5.17 118.33 119.00 1x4o n VAL 9 Ca -0.21 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.18 1x4o n VAL 9 Cb 0.53 -0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 32.40 1x4o n VAL 9 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1x4o n SER 10 N -2.27 -4.52 -4.81 -1.34 7.64 -1.26 -4.89 113.62 102.17 1x4o n SER 10 Ca 0.00 0.68 -0.30 0.00 1.01 0.00 0.00 58.87 60.26 1x4o n SER 10 Cb 0.06 -2.64 0.08 0.00 -1.01 0.00 0.00 64.21 60.71 1x4o n SER 10 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x4o s PRO 11 N -3.20 2.20 0.95 1.43 0.04 -1.26 -4.66 135.00 130.51 1x4o s PRO 11 Ca 0.00 0.68 -0.13 0.00 0.04 0.00 0.00 61.00 61.59 1x4o s PRO 11 Cb 0.00 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.77 1x4o s PRO 11 CO 0.00 -1.55 1.16 -1.25 0.04 0.00 0.00 177.00 175.40 1x4o s PRO 12 N -5.14 0.83 -0.26 0.56 0.04 -1.26 -4.92 135.00 124.84 1x4o s PRO 12 Ca 0.60 0.17 0.12 0.00 0.04 0.00 0.00 61.00 61.93 1x4o s PRO 12 Cb -0.14 -1.81 0.60 0.00 0.04 0.00 0.00 34.50 33.18 1x4o s PRO 12 CO 0.54 -2.39 1.57 -0.85 0.04 0.00 0.00 177.00 175.92 1x4o n GLU 13 N -3.87 2.87 -3.76 4.56 0.28 -1.26 -4.86 120.64 114.60 1x4o n GLU 13 Ca 0.08 -3.02 -0.28 0.00 -0.16 0.00 0.00 57.16 53.78 1x4o n GLU 13 Cb 0.59 -1.97 -0.16 0.00 1.43 0.00 0.00 31.44 31.34 1x4o n GLU 13 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1x4o s ASP 14 N -1.80 3.14 0.10 -1.84 1.01 -1.26 -5.03 116.67 110.98 1x4o s ASP 14 Ca 0.47 -0.95 -0.33 0.00 0.71 0.00 0.00 52.55 52.45 1x4o s ASP 14 Cb 0.39 -0.69 -0.14 0.00 1.01 0.00 0.00 42.92 43.50 1x4o s ASP 14 CO 0.08 -0.31 1.52 -0.33 0.21 0.00 0.00 175.17 176.34 1x4o h GLU 15 N 8.20 -0.70 -1.69 8.23 5.08 -1.98 0.27 114.58 131.98 1x4o h GLU 15 Ca -0.16 0.05 0.52 0.00 -1.00 0.00 0.00 59.36 58.77 1x4o h GLU 15 Cb 1.10 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 30.41 1x4o h GLU 15 CO 0.36 -0.47 1.16 0.93 -1.00 0.00 0.00 179.01 179.99 1x4o h GLU 16 N -0.73 0.01 0.02 2.33 5.08 -1.99 0.66 114.58 119.94 1x4o h GLU 16 Ca -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1x4o h GLU 16 Cb 0.73 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1x4o h GLU 16 CO -0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 177.75 1x4o h ALA 17 N 1.30 -0.02 -1.69 3.43 0.00 -1.23 -0.45 119.26 120.59 1x4o h ALA 17 Ca 0.91 -0.25 0.49 0.00 0.00 0.00 0.00 54.91 56.06 1x4o h ALA 17 Cb 3.31 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 21.04 1x4o h ALA 17 CO -0.22 -0.03 1.31 -0.22 0.00 0.00 0.00 179.25 180.09 1x4o h LYS 18 N -0.99 0.00 0.00 0.00 3.64 0.35 1.20 116.57 120.77 1x4o h LYS 18 Ca -0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1x4o h LYS 18 Cb 0.50 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1x4o h LYS 18 CO 0.00 0.00 -0.94 -0.97 -2.27 0.00 0.00 179.45 175.28 1x4o h ASN 19 N 0.00 0.00 0.10 4.20 -0.73 -1.16 -3.25 115.58 114.74 1x4o h ASN 19 Ca 0.80 -0.31 0.02 0.00 1.87 0.00 0.00 56.30 58.68 1x4o h ASN 19 Cb 3.41 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 41.95 1x4o h ASN 19 CO -0.01 1.19 -0.48 -0.07 -0.37 0.00 0.00 177.43 177.69 1x4o h LEU 20 N -1.00 -1.43 -0.28 0.34 3.38 0.16 0.60 115.31 117.09 1x4o h LEU 20 Ca -0.21 0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1x4o h LEU 20 Cb 0.97 0.53 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 1x4o h LEU 20 CO -0.12 -0.52 -0.30 0.00 0.09 0.00 0.00 178.44 177.59 1x4o h ALA 21 N -0.33 -0.50 -0.05 1.53 0.00 0.98 1.03 119.26 121.91 1x4o h ALA 21 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1x4o h ALA 21 Cb 0.72 0.99 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1x4o h ALA 21 CO -0.28 -0.65 -0.28 1.49 0.00 0.00 0.00 179.25 179.52 1x4o h GLU 22 N -0.16 -0.30 -0.35 0.00 4.81 -1.51 0.22 114.58 117.28 1x4o h GLU 22 Ca 0.05 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1x4o h GLU 22 Cb 0.29 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 1x4o h GLU 22 CO -0.35 -0.20 -0.28 0.87 -0.73 0.00 0.00 179.01 178.31 1x4o h LYS 23 N -0.32 -0.09 -0.95 1.92 1.57 0.72 1.08 116.57 120.51 1x4o h LYS 23 Ca 0.01 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.94 1x4o h LYS 23 Cb 0.36 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.54 1x4o h LYS 23 CO -0.22 -0.06 -0.41 1.25 -0.57 0.00 0.00 179.45 179.44 1x4o h LEU 24 N -0.09 -1.51 0.31 2.94 7.12 0.14 0.74 115.31 124.96 1x4o h LEU 24 Ca 0.06 0.30 -0.01 0.00 0.13 0.00 0.00 57.88 58.36 1x4o h LEU 24 Cb 0.25 0.77 -0.01 0.00 -0.53 0.00 0.00 40.66 41.13 1x4o h LEU 24 CO -0.38 -0.29 -0.25 0.00 -0.13 0.00 0.00 178.44 177.39 1x4o h ALA 25 N 1.21 -1.00 -1.23 1.25 0.00 0.21 1.11 119.26 120.81 1x4o h ALA 25 Ca 0.31 -0.11 0.43 0.00 0.00 0.00 0.00 54.91 55.54 1x4o h ALA 25 Cb 0.57 0.44 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 1x4o h ALA 25 CO -0.95 -1.01 0.76 -0.09 0.00 0.00 0.00 179.25 177.97 1x4o h ARG 26 N -0.55 0.07 0.20 0.00 2.43 0.28 1.71 114.38 118.52 1x4o h ARG 26 Ca -0.04 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1x4o h ARG 26 Cb 0.46 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1x4o h ARG 26 CO -0.00 0.05 -0.10 0.35 -1.51 0.00 0.00 179.97 178.76 1x4o h PHE 27 N 0.07 -0.25 -0.41 2.20 3.57 0.13 -2.58 116.94 119.67 1x4o h PHE 27 Ca 0.83 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.45 1x4o h PHE 27 Cb 2.47 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 41.28 1x4o h PHE 27 CO -0.01 -0.12 0.35 0.82 -2.23 0.00 0.00 178.31 177.13 1x4o h ILE 28 N -1.06 0.58 0.00 1.41 2.04 0.34 0.96 117.51 121.78 1x4o h ILE 28 Ca -0.03 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 1x4o h ILE 28 Cb 0.25 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1x4o h ILE 28 CO 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 178.15 177.67 1x4o h ALA 29 N 1.68 0.88 0.00 1.87 0.00 0.24 -2.28 119.26 121.65 1x4o h ALA 29 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1x4o h ALA 29 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1x4o h ALA 29 CO -0.00 0.66 0.00 -0.25 0.00 0.00 0.00 179.25 179.65 1x4o n ASP 30 N -3.55 0.00 0.00 0.00 8.00 0.33 -4.70 116.55 116.62 1x4o n ASP 30 Ca -0.00 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1x4o n ASP 30 Cb 0.61 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1x4o n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x4o n GLY 31 N 0.96 1.73 0.00 0.44 0.00 -0.86 -5.08 105.19 102.37 1x4o n GLY 31 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 1.37 0.00 -0.02 0.00 -1.20 -4.95 105.19 105.38 1x4o n GLY 32 Ca 0.00 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 0.64 -0.11 1.61 -0.04 -1.26 -2.42 135.00 133.42 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 -1.07 0.60 -0.18 0.54 2.13 -1.26 -4.02 120.64 117.38 1x4o n GLU 34 Ca 0.16 0.37 -0.08 0.00 0.66 0.00 0.00 57.16 58.27 1x4o n GLU 34 Cb 0.11 -1.61 0.01 0.00 0.27 0.00 0.00 31.44 30.22 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 -0.78 1.22 0.00 6.31 3.04 -1.88 -0.52 116.25 123.63 1x4o h VAL 35 Ca -0.53 -0.68 0.00 0.00 -1.01 0.00 0.00 66.70 64.48 1x4o h VAL 35 Cb 1.57 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1x4o h VAL 35 CO -0.26 0.26 0.01 -1.84 -1.01 0.00 0.00 177.57 174.72 1x4o n GLU 36 N -4.54 0.10 -0.05 4.17 0.28 -1.01 0.14 120.64 119.73 1x4o n GLU 36 Ca 0.02 0.60 -0.04 0.00 -0.16 0.00 0.00 57.16 57.58 1x4o n GLU 36 Cb 0.16 -1.85 -0.01 0.00 1.43 0.00 0.00 31.44 31.17 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 -2.06 0.97 -0.21 3.84 -1.04 -0.31 -3.33 114.28 112.14 1x4o n THR 37 Ca -0.01 0.30 -0.07 0.00 -2.04 0.00 0.00 64.05 62.23 1x4o n THR 37 Cb 0.03 -2.10 0.03 0.00 -1.82 0.00 0.00 70.33 66.47 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 -0.68 1.21 -0.99 12.58 5.03 -1.07 1.49 117.51 135.09 1x4o h ILE 38 Ca 0.00 -0.61 0.05 0.00 -0.12 0.00 0.00 64.86 64.18 1x4o h ILE 38 Cb 0.41 0.51 -0.06 0.00 -3.03 0.00 0.00 36.82 34.65 1x4o h ILE 38 CO 0.00 0.25 0.65 0.00 -0.68 0.00 0.00 178.15 178.36 1x4o h ALA 39 N 1.12 1.34 0.05 1.87 0.00 0.10 0.96 119.26 124.69 1x4o h ALA 39 Ca 0.20 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 1x4o h ALA 39 Cb 0.13 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 17.60 1x4o h ALA 39 CO -0.02 0.51 -0.75 -0.07 0.00 0.00 0.00 179.25 178.91 1x4o h LEU 40 N 1.23 0.58 -0.91 0.00 3.38 -1.38 0.20 115.31 118.42 1x4o h LEU 40 Ca 0.41 -0.81 0.02 0.00 0.09 0.00 0.00 57.88 57.59 1x4o h LEU 40 Cb 0.05 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1x4o h LEU 40 CO -0.14 1.33 0.60 -0.61 0.09 0.00 0.00 178.44 179.70 1x4o h GLN 41 N -0.09 1.16 0.08 1.13 -0.00 0.27 -1.42 115.11 116.23 1x4o h GLN 41 Ca -0.11 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.47 1x4o h GLN 41 Cb 1.48 -0.26 0.00 0.00 0.00 0.00 0.00 27.48 28.70 1x4o h GLN 41 CO 0.15 0.76 -0.04 -0.97 0.00 0.00 0.00 178.83 178.73 1x4o h ASN 42 N 1.19 -0.10 -1.74 -0.69 -0.73 0.89 -3.19 115.58 111.22 1x4o h ASN 42 Ca 0.35 -0.45 0.50 0.00 1.87 0.00 0.00 56.30 58.58 1x4o h ASN 42 Cb -0.07 0.02 -0.07 0.00 0.27 0.00 0.00 38.32 38.48 1x4o h ASN 42 CO -0.10 0.56 1.27 0.78 -0.37 0.00 0.00 177.43 179.58 1x4o h ASN 43 N -0.93 0.00 -0.59 1.15 2.35 -0.47 0.30 115.58 117.40 1x4o h ASN 43 Ca -0.01 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.83 1x4o h ASN 43 Cb 0.54 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.80 1x4o h ASN 43 CO 0.02 0.00 -0.40 0.03 -1.65 0.00 0.00 177.43 175.43 1x4o h ARG 44 N 0.00 -0.20 0.38 0.81 3.08 -1.24 -1.33 114.38 115.89 1x4o h ARG 44 Ca 0.82 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.88 1x4o h ARG 44 Cb 3.35 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 33.44 1x4o h ARG 44 CO -0.01 -0.13 -0.26 0.93 -1.07 0.00 0.00 179.97 179.43 1x4o h GLU 45 N -0.20 -0.60 -6.56 0.04 5.08 -0.58 -3.42 114.58 108.34 1x4o h GLU 45 Ca 0.20 0.04 -0.59 0.00 -1.00 0.00 0.00 59.36 58.01 1x4o h GLU 45 Cb 0.56 0.14 0.08 0.00 0.50 0.00 0.00 28.75 30.03 1x4o h GLU 45 CO -0.69 -0.40 0.62 0.09 -1.00 0.00 0.00 179.01 177.63 1x4o n ASN 46 N -5.39 2.73 0.00 1.42 3.02 -0.50 -4.89 115.26 111.65 1x4o n ASN 46 Ca -0.10 1.13 -0.17 0.00 -0.03 0.00 0.00 54.58 55.41 1x4o n ASN 46 Cb 0.29 -1.41 -0.14 0.00 -0.61 0.00 0.00 39.78 37.91 1x4o n ASN 46 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1x4o h GLN 47 N 4.44 0.18 -0.56 3.52 4.15 -1.82 -3.38 115.11 121.65 1x4o h GLN 47 Ca -0.45 -0.31 0.09 0.00 0.77 0.00 0.00 58.65 58.74 1x4o h GLN 47 Cb 1.28 0.12 -0.10 0.00 0.21 0.00 0.00 27.48 28.98 1x4o h GLN 47 CO 0.77 0.98 -0.43 0.00 -1.93 0.00 0.00 178.83 178.22 1x4o h ALA 48 N 0.41 -0.33 0.00 3.38 0.00 -1.91 -2.25 119.26 118.56 1x4o h ALA 48 Ca -0.36 0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.33 1x4o h ALA 48 Cb 2.03 0.94 0.02 0.00 0.00 0.00 0.00 17.79 20.78 1x4o h ALA 48 CO 0.09 -0.83 2.24 1.19 0.00 0.00 0.00 179.25 181.94 1x4o n PHE 49 N -5.41 1.10 0.00 0.00 3.72 -1.26 -4.21 117.46 111.41 1x4o n PHE 49 Ca 0.01 -1.62 -0.06 0.00 -0.05 0.00 0.00 57.45 55.74 1x4o n PHE 49 Cb 0.35 -1.44 -0.12 0.00 -0.94 0.00 0.00 39.48 37.33 1x4o n PHE 49 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1x4o h SER 50 N 6.86 0.00 0.00 4.37 4.64 -1.69 -3.31 113.55 124.42 1x4o h SER 50 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1x4o h SER 50 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1x4o h SER 50 CO 1.41 0.86 0.00 2.22 -0.87 0.00 0.00 176.83 180.45 1x4o n PHE 51 N -3.02 0.62 0.33 4.77 -1.74 -1.26 0.20 117.46 117.37 1x4o n PHE 51 Ca -0.13 0.33 0.13 0.00 -0.56 0.00 0.00 57.45 57.21 1x4o n PHE 51 Cb 0.97 -1.02 0.31 0.00 1.52 0.00 0.00 39.48 41.26 1x4o n PHE 51 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 1x4o h LEU 52 N 0.00 0.00 -4.31 5.98 3.38 -1.92 -3.23 115.31 115.21 1x4o h LEU 52 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1x4o h LEU 52 Cb 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.35 1x4o h LEU 52 CO 0.00 0.00 -0.52 -1.22 0.09 0.00 0.00 178.44 176.79 1x4o n TYR 53 N -2.86 3.17 -3.15 1.13 4.01 0.13 -4.90 117.16 114.69 1x4o n TYR 53 Ca 0.04 -2.78 0.05 0.00 -0.16 0.00 0.00 57.90 55.06 1x4o n TYR 53 Cb 0.46 -0.32 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 1x4o n TYR 53 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1x4o s ASP 54 N -3.26 -0.47 -0.08 7.72 -1.08 -1.22 -5.06 116.67 113.22 1x4o s ASP 54 Ca 0.50 0.15 -0.25 0.00 -0.52 0.00 0.00 52.55 52.43 1x4o s ASP 54 Cb 0.41 1.34 -0.21 0.00 -1.46 0.00 0.00 42.92 43.00 1x4o s ASP 54 CO -0.13 -0.09 0.93 1.55 0.52 0.00 0.00 175.17 177.95 1x4o h PRO 55 N 7.62 -0.05 -1.66 4.34 0.13 -1.90 -3.18 132.00 137.29 1x4o h PRO 55 Ca -0.11 0.00 0.48 0.00 -0.87 0.00 0.00 66.00 65.51 1x4o h PRO 55 Cb 1.18 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 1x4o h PRO 55 CO -0.09 0.61 1.19 -0.91 -0.23 0.00 0.00 178.00 178.57 1x4o h ASN 56 N -0.79 0.02 -3.07 1.44 4.21 -1.97 -3.37 115.58 112.05 1x4o h ASN 56 Ca -0.00 0.01 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 1x4o h ASN 56 Cb 0.68 0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.85 1x4o h ASN 56 CO 0.01 -0.01 0.75 -0.55 -1.29 0.00 0.00 177.43 176.34 1x4o s SER 57 N -4.37 7.07 0.39 5.81 0.15 -1.20 -4.90 113.70 116.65 1x4o s SER 57 Ca -0.05 1.65 0.19 0.00 0.70 0.00 0.00 55.95 58.44 1x4o s SER 57 Cb 0.26 -2.55 1.13 0.00 -1.71 0.00 0.00 66.02 63.15 1x4o s SER 57 CO 0.86 -0.62 1.74 1.56 1.20 0.00 0.00 173.24 177.98 1x4o h GLN 58 N 7.59 0.35 -0.91 5.44 7.50 -1.86 -1.32 115.11 131.89 1x4o h GLN 58 Ca -0.29 -0.02 0.11 0.00 0.50 0.00 0.00 58.65 58.95 1x4o h GLN 58 Cb 1.12 -0.08 -0.13 0.00 0.05 0.00 0.00 27.48 28.45 1x4o h GLN 58 CO 0.92 0.23 -0.46 0.41 -1.50 0.00 0.00 178.83 178.43 1x4o n GLY 59 N -1.46 -2.15 0.39 3.46 0.00 -1.26 -0.00 105.19 104.17 1x4o n GLY 59 Ca 0.28 1.05 -0.15 0.00 0.00 0.00 0.00 46.02 47.20 1x4o n GLY 59 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1x4o h TYR 60 N 0.00 -0.95 -0.76 1.61 3.20 -1.26 0.42 116.97 119.23 1x4o h TYR 60 Ca 0.22 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.14 1x4o h TYR 60 Cb 0.45 0.33 -0.09 0.00 1.54 0.00 0.00 36.73 38.96 1x4o h TYR 60 CO -0.88 -0.55 -0.45 0.54 -1.64 0.00 0.00 178.16 175.18 1x4o n ARG 61 N -4.67 -0.33 -0.28 1.82 1.74 -0.46 0.17 116.66 114.65 1x4o n ARG 61 Ca -0.11 1.38 0.06 0.00 -0.77 0.00 0.00 57.85 58.40 1x4o n ARG 61 Cb 0.38 -2.03 0.20 0.00 -1.02 0.00 0.00 32.46 29.99 1x4o n ARG 61 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1x4o h TYR 62 N 0.00 0.67 -0.23 -1.55 5.03 -0.40 0.15 116.97 120.64 1x4o h TYR 62 Ca 0.12 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.39 1x4o h TYR 62 Cb 0.31 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 1x4o h TYR 62 CO -1.00 0.15 -0.18 -0.92 -1.32 0.00 0.00 178.16 174.90 1x4o h TYR 63 N 0.57 0.44 -0.41 -3.82 5.03 0.24 -2.66 116.97 116.35 1x4o h TYR 63 Ca 0.43 -0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.61 1x4o h TYR 63 Cb 0.60 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.75 1x4o h TYR 63 CO -0.12 0.57 0.02 0.00 -1.32 0.00 0.00 178.16 177.32 1x4o h ARG 64 N 0.37 0.70 0.18 1.82 2.47 0.45 -2.44 114.38 117.94 1x4o h ARG 64 Ca 0.07 -0.21 0.01 0.00 -1.26 0.00 0.00 59.98 58.58 1x4o h ARG 64 Cb 0.53 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 1x4o h ARG 64 CO 0.03 0.77 -0.23 0.37 0.56 0.00 0.00 179.97 181.48 1x4o h GLN 65 N 0.54 -0.45 -0.68 0.04 5.75 -0.87 -0.16 115.11 119.29 1x4o h GLN 65 Ca 0.12 0.03 0.19 0.00 -0.15 0.00 0.00 58.65 58.84 1x4o h GLN 65 Cb 0.44 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 1x4o h GLN 65 CO 0.02 -0.30 0.48 0.87 -2.65 0.00 0.00 178.83 177.25 1x4o h LYS 66 N -0.46 0.03 0.16 1.69 1.79 -1.43 1.18 116.57 119.53 1x4o h LYS 66 Ca 0.01 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1x4o h LYS 66 Cb 0.45 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1x4o h LYS 66 CO -0.08 0.02 -0.08 1.25 -1.08 0.00 0.00 179.45 179.48 1x4o h LEU 67 N 0.04 -0.18 -0.18 2.94 5.85 -0.56 -1.17 115.31 122.04 1x4o h LEU 67 Ca 0.32 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1x4o h LEU 67 Cb 1.24 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1x4o h LEU 67 CO -0.02 0.11 -0.11 -0.78 -0.34 0.00 0.00 178.44 177.30 1x4o h ASP 68 N -0.48 0.40 -0.44 1.25 1.82 0.13 0.11 116.42 119.20 1x4o h ASP 68 Ca -0.02 -0.43 0.07 0.00 -0.39 0.00 0.00 57.03 56.26 1x4o h ASP 68 Cb 0.38 -0.11 -0.09 0.00 0.68 0.00 0.00 39.33 40.18 1x4o h ASP 68 CO 0.04 0.75 -0.42 -0.08 -1.61 0.00 0.00 179.24 177.91 1x4o h GLU 69 N 0.06 -0.29 -0.22 0.28 4.57 0.13 -1.74 114.58 117.36 1x4o h GLU 69 Ca 0.04 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 1x4o h GLU 69 Cb 0.61 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1x4o h GLU 69 CO 0.03 -0.19 -0.06 0.74 -1.18 0.00 0.00 179.01 178.35 1x4o h PHE 70 N -0.30 0.49 0.00 0.92 0.04 -1.21 -3.29 116.94 113.58 1x4o h PHE 70 Ca 0.15 -0.11 -0.49 0.00 2.80 0.00 0.00 57.97 60.32 1x4o h PHE 70 Cb 0.58 -0.12 0.02 0.00 2.20 0.00 0.00 35.95 38.63 1x4o h PHE 70 CO -0.63 0.67 2.82 0.54 -0.60 0.00 0.00 178.31 181.10 1x4o n ARG 71 N -4.59 2.33 0.00 1.51 1.74 0.36 -4.68 116.66 113.33 1x4o n ARG 71 Ca -0.04 -1.72 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 1x4o n ARG 71 Cb 0.29 -2.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 1x4o n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x4o n LYS 72 N 4.66 0.00 -1.57 5.56 5.02 -1.21 -4.62 118.16 126.00 1x4o n LYS 72 Ca 0.52 0.56 -0.39 0.00 -2.02 0.00 0.00 58.31 56.97 1x4o n LYS 72 Cb 0.21 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 33.89 1x4o n LYS 72 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x4o n SER 73 N -1.93 0.44 0.00 4.39 2.88 -1.26 -4.96 113.62 113.17 1x4o n SER 73 Ca 0.00 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1x4o n SER 73 Cb 0.00 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.14 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 1.39 -0.86 0.10 0.46 0.00 -1.26 -5.04 105.19 99.98 1x4o n GLY 74 Ca 0.12 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 1x4o n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4o h PRO 75 N 0.00 0.17 -4.58 1.61 0.13 -1.98 -3.41 132.00 123.94 1x4o h PRO 75 Ca 0.00 -0.17 -0.70 0.00 -0.87 0.00 0.00 66.00 64.26 1x4o h PRO 75 Cb 0.00 0.04 -0.30 0.00 0.13 0.00 0.00 31.00 30.87 1x4o h PRO 75 CO 0.00 0.88 -0.56 0.45 -0.23 0.00 0.00 178.00 178.54 1x4o s SER 76 N -6.26 5.34 -0.18 1.44 0.15 -1.26 -5.07 113.70 107.85 1x4o s SER 76 Ca -0.16 -1.48 -0.05 0.00 0.70 0.00 0.00 55.95 54.96 1x4o s SER 76 Cb 0.01 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.42 1x4o s SER 76 CO 0.74 -0.43 0.01 -0.94 1.20 0.00 0.00 173.24 173.82 1x4o s SER 77 N 1.70 5.08 0.00 5.45 1.04 -1.26 -5.13 113.70 120.58 1x4o s SER 77 Ca 0.01 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1x4o s SER 77 Cb -0.21 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.05 1x4o s SER 77 CO 0.00 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.96