#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 -0.78 -0.14 1.61 1.04 -1.26 -5.17 113.70 109.01 1x4o s SER 2 Ca 0.00 0.65 -0.23 0.00 0.48 0.00 0.00 55.95 56.85 1x4o s SER 2 Cb 0.00 1.72 0.06 0.00 0.10 0.00 0.00 66.02 67.89 1x4o s SER 2 CO 0.00 -0.15 0.57 -0.94 0.98 0.00 0.00 173.24 173.71 1x4o s SER 3 N 2.80 -0.56 0.54 7.02 1.04 -1.26 -5.14 113.70 118.14 1x4o s SER 3 Ca 0.04 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.35 1x4o s SER 3 Cb -0.11 0.87 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1x4o s SER 3 CO -0.16 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1x4o n GLY 4 N 1.97 -0.52 0.13 7.32 0.00 -1.26 -4.72 105.19 108.12 1x4o n GLY 4 Ca -0.16 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 1x4o n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4o n SER 5 N -3.47 1.91 0.00 1.61 7.64 -1.26 -5.04 113.62 115.01 1x4o n SER 5 Ca 0.00 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1x4o n SER 5 Cb 0.01 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1x4o n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x4o n SER 6 N -4.39 0.00 0.00 6.43 3.41 -1.26 -5.13 113.62 112.67 1x4o n SER 6 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1x4o n SER 6 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1x4o n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4o n GLY 7 N -0.54 3.78 3.58 5.00 0.00 -1.26 -4.30 105.19 111.46 1x4o n GLY 7 Ca 0.00 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1x4o n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4o s LYS 8 N 0.00 3.86 -0.34 1.61 3.01 -1.26 -5.02 119.74 121.60 1x4o s LYS 8 Ca 0.00 -0.14 -0.01 0.00 -1.01 0.00 0.00 55.97 54.81 1x4o s LYS 8 Cb 0.00 -3.71 0.11 0.00 -1.01 0.00 0.00 37.83 33.23 1x4o s LYS 8 CO 0.00 -0.36 0.15 0.08 0.51 0.00 0.00 175.35 175.73 1x4o s VAL 9 N 2.04 0.67 0.35 3.17 1.01 -1.26 -5.12 120.40 121.26 1x4o s VAL 9 Ca 0.13 -1.52 0.07 0.00 0.00 0.00 0.00 61.98 60.66 1x4o s VAL 9 Cb -0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1x4o s VAL 9 CO 0.11 -0.77 0.47 -0.44 0.00 0.00 0.00 175.10 174.46 1x4o s SER 10 N 1.41 5.87 0.77 3.32 0.01 -1.26 -4.96 113.70 118.85 1x4o s SER 10 Ca 0.12 -0.25 -0.11 0.00 1.31 0.00 0.00 55.95 57.02 1x4o s SER 10 Cb -0.19 -1.12 0.05 0.00 0.21 0.00 0.00 66.02 64.97 1x4o s SER 10 CO -0.19 -0.48 1.09 -2.16 0.41 0.00 0.00 173.24 171.91 1x4o s PRO 11 N -4.19 2.32 1.03 12.44 0.04 -1.26 -4.53 135.00 140.86 1x4o s PRO 11 Ca 0.46 0.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.05 1x4o s PRO 11 Cb -0.09 -1.94 0.25 0.00 0.04 0.00 0.00 34.50 32.76 1x4o s PRO 11 CO 0.31 -1.48 1.14 -0.35 0.04 0.00 0.00 177.00 176.66 1x4o n PRO 12 N -3.35 -2.11 -2.42 0.56 -0.04 -1.26 -4.77 135.00 121.62 1x4o n PRO 12 Ca 0.07 -1.79 -0.33 0.00 -0.04 0.00 0.00 63.50 61.42 1x4o n PRO 12 Cb 0.56 -1.41 0.01 0.00 -0.04 0.00 0.00 33.50 32.61 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 -4.13 3.47 -3.27 0.54 1.02 -1.26 -4.90 120.64 112.10 1x4o n GLU 13 Ca 0.15 -4.30 0.03 0.00 -0.02 0.00 0.00 57.16 53.02 1x4o n GLU 13 Cb 0.55 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 1x4o n GLU 13 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1x4o s ASP 14 N -2.51 -0.39 0.12 1.62 2.15 -1.26 -5.05 116.67 111.35 1x4o s ASP 14 Ca 0.48 0.46 -0.25 0.00 0.43 0.00 0.00 52.55 53.67 1x4o s ASP 14 Cb 0.36 1.41 -0.07 0.00 -0.30 0.00 0.00 42.92 44.33 1x4o s ASP 14 CO -0.24 -0.07 1.65 -0.08 -0.17 0.00 0.00 175.17 176.26 1x4o h GLU 15 N 7.48 -0.34 -1.37 4.34 4.22 -1.99 0.21 114.58 127.14 1x4o h GLU 15 Ca -0.14 0.02 0.41 0.00 0.08 0.00 0.00 59.36 59.72 1x4o h GLU 15 Cb 1.13 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.37 1x4o h GLU 15 CO 0.03 -0.22 0.94 0.93 -2.18 0.00 0.00 179.01 178.51 1x4o h GLU 16 N -0.35 0.09 0.09 1.92 5.08 -1.99 0.87 114.58 120.29 1x4o h GLU 16 Ca 0.05 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1x4o h GLU 16 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1x4o h GLU 16 CO -0.16 0.06 -0.04 0.00 -1.00 0.00 0.00 179.01 177.86 1x4o h ALA 17 N 1.41 -0.12 -1.95 3.43 0.00 -1.47 0.03 119.26 120.59 1x4o h ALA 17 Ca 0.72 -0.06 0.57 0.00 0.00 0.00 0.00 54.91 56.14 1x4o h ALA 17 Cb 2.54 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 20.30 1x4o h ALA 17 CO -0.17 -0.11 1.41 -0.22 0.00 0.00 0.00 179.25 180.16 1x4o h LYS 18 N -1.02 0.00 0.00 0.00 3.64 0.95 1.27 116.57 121.41 1x4o h LYS 18 Ca -0.01 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1x4o h LYS 18 Cb 0.16 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1x4o h LYS 18 CO 0.02 0.00 -0.74 -0.97 -2.27 0.00 0.00 179.45 175.49 1x4o h ASN 19 N 0.00 0.00 -0.29 4.20 -0.73 -1.06 -3.18 115.58 114.52 1x4o h ASN 19 Ca 0.93 -0.52 0.07 0.00 1.87 0.00 0.00 56.30 58.65 1x4o h ASN 19 Cb 3.75 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 42.27 1x4o h ASN 19 CO -0.01 1.18 -0.17 -0.07 -0.37 0.00 0.00 177.43 178.00 1x4o h LEU 20 N -1.00 -0.56 0.01 0.34 3.38 0.27 0.44 115.31 118.20 1x4o h LEU 20 Ca -0.18 0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1x4o h LEU 20 Cb 1.01 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1x4o h LEU 20 CO -0.11 -0.20 -0.19 0.00 0.09 0.00 0.00 178.44 178.03 1x4o h ALA 21 N 1.06 -0.67 -0.42 1.53 0.00 0.99 1.05 119.26 122.81 1x4o h ALA 21 Ca 0.15 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1x4o h ALA 21 Cb 0.37 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1x4o h ALA 21 CO -0.37 -0.72 -0.46 1.49 0.00 0.00 0.00 179.25 179.19 1x4o h GLU 22 N -0.24 -0.32 0.00 0.00 4.81 -1.45 0.57 114.58 117.95 1x4o h GLU 22 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1x4o h GLU 22 Cb 0.25 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1x4o h GLU 22 CO -0.12 -0.22 0.00 1.17 -0.73 0.00 0.00 179.01 179.12 1x4o n LYS 23 N -5.41 0.00 -0.40 1.92 0.00 0.15 0.12 118.16 114.54 1x4o n LYS 23 Ca -0.01 0.69 0.36 0.00 0.00 0.00 0.00 58.31 59.36 1x4o n LYS 23 Cb 0.35 -1.46 0.64 0.00 0.00 0.00 0.00 35.03 34.55 1x4o n LYS 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1x4o h LEU 24 N 0.00 0.26 0.00 3.14 7.12 0.15 1.32 115.31 127.30 1x4o h LEU 24 Ca 0.00 0.20 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1x4o h LEU 24 Cb 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.34 1x4o h LEU 24 CO 0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 178.44 177.98 1x4o n ALA 25 N -2.40 -0.31 -0.33 1.25 0.00 0.20 -0.13 120.51 118.79 1x4o n ALA 25 Ca 0.39 0.00 0.35 0.00 0.00 0.00 0.00 53.44 54.18 1x4o n ALA 25 Cb 1.43 0.00 0.75 0.00 0.00 0.00 0.00 19.45 21.62 1x4o n ALA 25 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1x4o h ARG 26 N 0.00 0.01 0.40 0.00 -0.00 0.30 0.69 114.38 115.77 1x4o h ARG 26 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.96 1x4o h ARG 26 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1x4o h ARG 26 CO 0.00 0.01 -0.19 0.35 -0.00 0.00 0.00 179.97 180.14 1x4o h PHE 27 N 0.01 -0.49 -0.72 4.08 3.57 0.17 -2.21 116.94 121.36 1x4o h PHE 27 Ca 0.57 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.12 1x4o h PHE 27 Cb 2.27 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 41.12 1x4o h PHE 27 CO -0.00 -0.31 0.42 0.82 -2.23 0.00 0.00 178.31 177.01 1x4o h ILE 28 N -1.06 0.99 -0.02 1.41 2.04 0.89 0.32 117.51 122.07 1x4o h ILE 28 Ca -0.05 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1x4o h ILE 28 Cb 0.41 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1x4o h ILE 28 CO 0.09 0.14 0.03 0.00 0.00 0.00 0.00 178.15 178.41 1x4o h ALA 29 N 1.36 1.47 0.00 1.87 0.00 0.23 0.66 119.26 124.85 1x4o h ALA 29 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1x4o h ALA 29 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x4o h ALA 29 CO -0.17 -0.04 0.00 0.22 0.00 0.00 0.00 179.25 179.25 1x4o h ASP 30 N 0.00 0.00 0.00 0.00 3.58 0.28 -3.44 116.42 116.84 1x4o h ASP 30 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1x4o h ASP 30 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1x4o h ASP 30 CO -0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1x4o n GLY 31 N 1.17 0.86 0.00 -0.78 0.00 0.23 -5.08 105.19 101.58 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 1.03 0.00 -0.02 0.00 -1.15 -4.95 105.19 105.10 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 0.58 -0.10 1.61 -0.04 -1.26 -2.25 135.00 133.54 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 -0.21 0.54 2.13 -1.26 -4.09 120.64 117.26 1x4o n GLU 34 Ca 0.15 0.34 -0.09 0.00 0.66 0.00 0.00 57.16 58.22 1x4o n GLU 34 Cb 0.12 -1.61 0.02 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 -0.65 1.26 0.00 6.31 3.04 -1.88 -1.28 116.25 123.04 1x4o h VAL 35 Ca -0.53 -1.04 0.00 0.00 -1.01 0.00 0.00 66.70 64.12 1x4o h VAL 35 Cb 1.64 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 1x4o h VAL 35 CO -0.22 0.38 0.04 -1.84 -1.01 0.00 0.00 177.57 174.92 1x4o n GLU 36 N -4.28 0.13 -0.06 4.17 0.28 -0.95 0.17 120.64 120.09 1x4o n GLU 36 Ca 0.03 0.62 -0.05 0.00 -0.16 0.00 0.00 57.16 57.60 1x4o n GLU 36 Cb 0.30 -1.96 -0.02 0.00 1.43 0.00 0.00 31.44 31.20 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 -2.19 1.17 -0.25 3.84 -1.04 -0.56 -3.15 114.28 112.09 1x4o n THR 37 Ca -0.01 0.26 -0.06 0.00 -2.04 0.00 0.00 64.05 62.19 1x4o n THR 37 Cb 0.07 -2.22 0.05 0.00 -1.82 0.00 0.00 70.33 66.41 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 -0.81 1.23 -0.38 12.58 5.03 -1.09 1.46 117.51 135.53 1x4o h ILE 38 Ca 0.00 -0.67 -0.01 0.00 -0.12 0.00 0.00 64.86 64.06 1x4o h ILE 38 Cb 0.52 0.38 -0.02 0.00 -3.03 0.00 0.00 36.82 34.67 1x4o h ILE 38 CO 0.00 0.28 0.22 0.00 -0.68 0.00 0.00 178.15 177.97 1x4o h ALA 39 N 1.16 0.49 0.32 1.87 0.00 0.15 0.10 119.26 123.34 1x4o h ALA 39 Ca 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1x4o h ALA 39 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1x4o h ALA 39 CO -0.03 0.00 -0.15 -0.07 0.00 0.00 0.00 179.25 179.00 1x4o h LEU 40 N 0.50 -0.36 -1.56 0.00 3.38 -1.40 0.25 115.31 116.11 1x4o h LEU 40 Ca 0.14 0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.48 1x4o h LEU 40 Cb 0.04 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1x4o h LEU 40 CO -0.02 -0.07 1.13 -0.61 0.09 0.00 0.00 178.44 178.96 1x4o h GLN 41 N -0.79 0.00 0.00 1.13 4.15 0.20 0.32 115.11 120.11 1x4o h GLN 41 Ca -0.04 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1x4o h GLN 41 Cb 0.33 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 1x4o h GLN 41 CO 0.07 0.00 -0.09 -0.91 -1.93 0.00 0.00 178.83 175.97 1x4o h ASN 42 N 0.00 0.00 -1.52 -0.69 4.21 -0.88 -3.31 115.58 113.39 1x4o h ASN 42 Ca 0.59 -0.02 0.45 0.00 1.21 0.00 0.00 56.30 58.53 1x4o h ASN 42 Cb 2.85 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 39.98 1x4o h ASN 42 CO -0.01 0.56 1.07 0.78 -1.29 0.00 0.00 177.43 178.54 1x4o h ASN 43 N -1.00 0.07 -0.80 5.81 2.35 0.17 0.53 115.58 122.71 1x4o h ASN 43 Ca -0.00 0.03 0.19 0.00 -0.55 0.00 0.00 56.30 55.97 1x4o h ASN 43 Cb 0.11 0.02 -0.14 0.00 0.05 0.00 0.00 38.32 38.36 1x4o h ASN 43 CO -0.00 -0.03 0.03 0.03 -1.65 0.00 0.00 177.43 175.81 1x4o h ARG 44 N 0.04 0.11 -0.24 0.81 3.08 -0.90 0.19 114.38 117.46 1x4o h ARG 44 Ca 0.76 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.68 1x4o h ARG 44 Cb 2.89 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.91 1x4o h ARG 44 CO -0.10 0.07 -0.37 0.93 -1.07 0.00 0.00 179.97 179.43 1x4o h GLU 45 N 0.11 0.67 -6.91 0.04 5.08 -0.11 -3.44 114.58 110.02 1x4o h GLU 45 Ca 0.45 -0.40 -0.52 0.00 -1.00 0.00 0.00 59.36 57.88 1x4o h GLU 45 Cb 0.82 0.04 0.07 0.00 0.50 0.00 0.00 28.75 30.18 1x4o h GLU 45 CO -0.69 1.02 0.61 -0.80 -1.00 0.00 0.00 179.01 178.14 1x4o s ASN 46 N -6.61 6.55 -0.23 1.42 0.01 0.66 -4.96 114.94 111.78 1x4o s ASN 46 Ca -0.12 2.62 -0.18 0.00 -0.71 0.00 0.00 52.86 54.47 1x4o s ASN 46 Cb 0.08 -2.64 -0.17 0.00 0.41 0.00 0.00 41.25 38.93 1x4o s ASN 46 CO 0.83 -0.68 0.00 1.67 -1.51 0.00 0.00 177.10 177.42 1x4o n GLN 47 N 0.43 0.58 -0.33 -0.60 7.27 -1.26 -4.24 117.38 119.24 1x4o n GLN 47 Ca 0.02 0.45 0.28 0.00 0.07 0.00 0.00 57.00 57.82 1x4o n GLN 47 Cb 0.43 -1.65 0.54 0.00 2.41 0.00 0.00 30.24 31.97 1x4o n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x4o h ALA 48 N -0.65 2.08 0.00 1.69 0.00 -1.92 -0.59 119.26 119.86 1x4o h ALA 48 Ca -0.49 0.23 -0.35 0.00 0.00 0.00 0.00 54.91 54.31 1x4o h ALA 48 Cb 1.45 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1x4o h ALA 48 CO -0.28 -0.79 1.56 1.19 0.00 0.00 0.00 179.25 180.93 1x4o n PHE 49 N -5.17 0.98 0.32 0.00 3.72 -1.26 -4.05 117.46 112.00 1x4o n PHE 49 Ca 0.35 -1.90 0.11 0.00 -0.05 0.00 0.00 57.45 55.96 1x4o n PHE 49 Cb 1.16 -1.75 -0.08 0.00 -0.94 0.00 0.00 39.48 37.87 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 3.23 0.45 0.00 4.37 3.41 -0.23 -4.00 113.62 120.85 1x4o n SER 50 Ca 0.49 -0.15 0.07 0.00 -0.26 0.00 0.00 58.87 59.02 1x4o n SER 50 Cb 0.46 1.25 0.35 0.00 -0.26 0.00 0.00 64.21 66.01 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 -2.13 0.00 0.01 7.33 1.16 -1.26 -0.89 117.46 121.69 1x4o n PHE 51 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.44 1x4o n PHE 51 Cb 0.49 -0.31 -0.14 0.00 -1.61 0.00 0.00 39.48 37.92 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 0.18 0.00 5.98 3.38 -1.91 -2.24 115.31 120.70 1x4o h LEU 52 Ca 0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1x4o h LEU 52 Cb 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1x4o h LEU 52 CO 0.00 1.30 -0.50 -1.22 0.09 0.00 0.00 178.44 178.11 1x4o n TYR 53 N -3.26 0.83 -1.65 1.13 4.01 -0.76 -4.83 117.16 112.62 1x4o n TYR 53 Ca -0.19 0.36 -0.43 0.00 -0.16 0.00 0.00 57.90 57.48 1x4o n TYR 53 Cb 1.04 -0.72 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 1x4o n TYR 53 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1x4o s ASP 54 N -5.58 5.61 0.02 7.72 1.01 -0.07 -4.84 116.67 120.53 1x4o s ASP 54 Ca -0.14 1.93 -0.19 0.00 0.71 0.00 0.00 52.55 54.85 1x4o s ASP 54 Cb 0.02 -2.51 -0.22 0.00 1.01 0.00 0.00 42.92 41.22 1x4o s ASP 54 CO 0.21 -1.84 1.14 1.55 0.21 0.00 0.00 175.17 176.45 1x4o h PRO 55 N 14.36 0.44 -1.16 8.23 0.13 -1.88 -3.13 132.00 148.99 1x4o h PRO 55 Ca -0.41 -0.43 0.34 0.00 -0.87 0.00 0.00 66.00 64.63 1x4o h PRO 55 Cb 1.23 0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 1x4o h PRO 55 CO 0.96 1.08 0.83 -0.91 -0.23 0.00 0.00 178.00 179.74 1x4o h ASN 56 N -0.04 0.01 -2.74 1.44 4.21 -1.97 -3.37 115.58 113.12 1x4o h ASN 56 Ca -0.06 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.89 1x4o h ASN 56 Cb 1.25 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.41 1x4o h ASN 56 CO 0.11 0.00 1.21 -0.55 -1.29 0.00 0.00 177.43 176.92 1x4o s SER 57 N -5.20 5.93 0.52 5.81 0.15 -1.18 -4.83 113.70 114.90 1x4o s SER 57 Ca -0.05 0.89 0.43 0.00 0.70 0.00 0.00 55.95 57.92 1x4o s SER 57 Cb 0.23 -2.53 1.64 0.00 -1.71 0.00 0.00 66.02 63.64 1x4o s SER 57 CO 0.80 -1.75 1.61 1.56 1.20 0.00 0.00 173.24 176.66 1x4o h GLN 58 N 12.42 0.02 -0.98 5.44 7.50 -1.87 1.01 115.11 138.64 1x4o h GLN 58 Ca -0.30 -0.00 0.22 0.00 0.50 0.00 0.00 58.65 59.07 1x4o h GLN 58 Cb 1.14 -0.00 -0.12 0.00 0.05 0.00 0.00 27.48 28.55 1x4o h GLN 58 CO 1.10 0.01 0.57 0.78 -1.50 0.00 0.00 178.83 179.79 1x4o h GLY 59 N 0.02 1.80 0.97 3.46 0.00 -1.86 0.61 103.07 108.06 1x4o h GLY 59 Ca 0.88 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.89 1x4o h GLY 59 CO -0.15 -0.17 0.05 -1.82 0.00 0.00 0.00 176.54 174.46 1x4o h TYR 60 N 0.63 0.11 0.92 5.60 3.20 0.17 0.27 116.97 127.89 1x4o h TYR 60 Ca 0.60 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.43 1x4o h TYR 60 Cb 1.05 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 39.30 1x4o h TYR 60 CO -0.02 0.11 -0.44 0.00 -1.64 0.00 0.00 178.16 176.16 1x4o h ARG 61 N 0.09 -1.20 -1.03 1.82 3.08 -1.09 0.99 114.38 117.03 1x4o h ARG 61 Ca 0.03 0.08 0.27 0.00 0.07 0.00 0.00 59.98 60.44 1x4o h ARG 61 Cb 0.03 0.27 -0.07 0.00 0.08 0.00 0.00 29.97 30.28 1x4o h ARG 61 CO -0.01 -0.80 0.69 -0.92 -1.07 0.00 0.00 179.97 177.87 1x4o h TYR 62 N -1.27 0.42 0.05 3.04 5.03 -0.97 0.18 116.97 123.45 1x4o h TYR 62 Ca -0.13 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.20 1x4o h TYR 62 Cb 0.95 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.11 1x4o h TYR 62 CO 0.01 0.05 -0.02 -0.92 -1.32 0.00 0.00 178.16 175.96 1x4o h TYR 63 N 0.26 -0.06 -0.38 -3.82 3.20 -0.53 -2.78 116.97 112.86 1x4o h TYR 63 Ca 0.55 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.45 1x4o h TYR 63 Cb 1.64 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.89 1x4o h TYR 63 CO -0.00 0.44 0.17 0.00 -1.64 0.00 0.00 178.16 177.12 1x4o h ARG 64 N -0.59 0.34 -0.05 1.82 2.47 0.11 -1.57 114.38 116.91 1x4o h ARG 64 Ca -0.01 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.72 1x4o h ARG 64 Cb 0.52 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.71 1x4o h ARG 64 CO 0.01 0.22 -0.50 0.37 0.56 0.00 0.00 179.97 180.64 1x4o h GLN 65 N 0.35 -0.59 -0.90 0.04 4.15 -0.79 0.70 115.11 118.08 1x4o h GLN 65 Ca 0.17 0.04 0.20 0.00 0.77 0.00 0.00 58.65 59.83 1x4o h GLN 65 Cb 0.10 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 27.86 1x4o h GLN 65 CO -0.14 -0.39 0.59 0.87 -1.93 0.00 0.00 178.83 177.84 1x4o h LYS 66 N -0.61 0.39 0.50 1.69 1.79 -1.23 1.24 116.57 120.34 1x4o h LYS 66 Ca 0.04 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1x4o h LYS 66 Cb 0.69 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1x4o h LYS 66 CO -0.38 0.26 -0.24 1.25 -1.08 0.00 0.00 179.45 179.26 1x4o h LEU 67 N 0.40 -0.57 -2.37 2.94 5.85 0.43 0.43 115.31 122.41 1x4o h LEU 67 Ca 0.47 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.11 1x4o h LEU 67 Cb 1.17 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 1x4o h LEU 67 CO -0.17 -0.19 -0.03 -0.78 -0.34 0.00 0.00 178.44 176.93 1x4o h ASP 68 N -1.03 0.00 0.00 1.25 1.82 0.16 -1.08 116.42 117.54 1x4o h ASP 68 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1x4o h ASP 68 Cb 0.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1x4o h ASP 68 CO 0.11 0.03 0.00 1.21 -1.61 0.00 0.00 179.24 178.98 1x4o n GLU 69 N -3.74 0.00 -0.30 0.28 4.07 0.41 -2.87 120.64 118.50 1x4o n GLU 69 Ca -0.03 0.43 0.02 0.00 -0.06 0.00 0.00 57.16 57.52 1x4o n GLU 69 Cb 0.12 -1.03 0.09 0.00 -0.06 0.00 0.00 31.44 30.55 1x4o n GLU 69 CO 0.00 0.00 0.00 0.74 -0.06 0.00 0.00 177.13 177.81 1x4o h PHE 70 N 0.00 -0.60 -0.47 4.31 0.04 -0.10 0.28 116.94 120.40 1x4o h PHE 70 Ca 0.00 0.08 0.09 0.00 2.80 0.00 0.00 57.97 60.95 1x4o h PHE 70 Cb 0.00 0.39 -0.10 0.00 2.20 0.00 0.00 35.95 38.44 1x4o h PHE 70 CO 0.04 -0.37 -0.24 0.00 -0.60 0.00 0.00 178.31 177.13 1x4o h ARG 71 N -0.02 -0.14 0.19 1.51 3.08 -1.35 -2.69 114.38 114.96 1x4o h ARG 71 Ca 0.38 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 1x4o h ARG 71 Cb 0.61 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1x4o h ARG 71 CO -0.87 -0.09 -0.12 0.87 -1.07 0.00 0.00 179.97 178.69 1x4o h LYS 72 N -0.14 -0.28 0.00 0.04 1.57 -0.39 -3.47 116.57 113.91 1x4o h LYS 72 Ca 0.22 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1x4o h LYS 72 Cb 0.49 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1x4o h LYS 72 CO -0.56 -0.19 0.00 0.45 -0.57 0.00 0.00 179.45 178.59 1x4o n SER 73 N -2.97 -2.24 -3.14 0.86 2.88 -0.19 -5.11 113.62 103.71 1x4o n SER 73 Ca -0.04 0.70 -0.02 0.00 -1.33 0.00 0.00 58.87 58.18 1x4o n SER 73 Cb 0.12 2.20 0.00 0.00 -0.75 0.00 0.00 64.21 65.78 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 -0.03 -0.56 3.25 0.46 0.00 -1.13 -4.69 105.19 102.51 1x4o n GLY 74 Ca 0.00 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 1.13 2.28 0.25 1.61 -0.04 -1.26 -4.76 135.00 134.21 1x4o n PRO 75 Ca -0.00 -2.55 -0.12 0.00 -0.04 0.00 0.00 63.50 60.79 1x4o n PRO 75 Cb 0.45 -3.36 -0.06 0.00 -0.04 0.00 0.00 33.50 30.49 1x4o n PRO 75 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x4o h SER 76 N 7.81 -0.82 0.47 3.54 0.87 -2.00 -3.29 113.55 120.13 1x4o h SER 76 Ca 0.41 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 61.00 1x4o h SER 76 Cb 0.78 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1x4o h SER 76 CO 1.63 -0.46 -0.23 0.77 -0.53 0.00 0.00 176.83 178.01 1x4o h SER 77 N -0.73 -0.53 0.00 6.23 4.64 -1.99 -3.56 113.55 117.60 1x4o h SER 77 Ca -0.06 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1x4o h SER 77 Cb 0.60 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1x4o h SER 77 CO 0.04 -0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.47