#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdu h LYS 6 N 0.00 0.90 -0.09 1.43 3.11 -2.06 -2.95 116.57 116.91 3hdu h LYS 6 Ca 0.00 -0.25 -0.14 0.00 -2.81 0.00 0.00 60.65 57.45 3hdu h LYS 6 Cb 0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.12 3hdu h LYS 6 CO 0.00 0.88 -0.56 -0.91 -2.81 0.00 0.00 179.45 176.06 3hdu h ASN 7 N 0.78 0.30 -0.13 4.20 -0.26 -2.05 -3.02 115.58 115.40 3hdu h ASN 7 Ca 0.16 -0.16 -0.11 0.00 -0.56 0.00 0.00 56.30 55.62 3hdu h ASN 7 Cb 0.43 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.59 3hdu h ASN 7 CO 0.01 0.80 -0.29 -0.33 -1.06 0.00 0.00 177.43 176.56 3hdu h GLU 8 N 0.21 0.61 -0.17 0.81 5.08 -1.98 -2.05 114.58 117.10 3hdu h GLU 8 Ca 0.00 -0.26 -0.20 0.00 -1.00 0.00 0.00 59.36 57.90 3hdu h GLU 8 Cb 1.04 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.28 3hdu h GLU 8 CO 0.09 0.83 -0.67 0.93 -1.00 0.00 0.00 179.01 179.19 3hdu h GLU 9 N 0.52 0.75 -0.04 2.33 4.39 -1.55 -1.33 114.58 119.66 3hdu h GLU 9 Ca 0.07 -0.58 -0.08 0.00 0.34 0.00 0.00 59.36 59.10 3hdu h GLU 9 Cb 0.77 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 3hdu h GLU 9 CO 0.06 1.20 -0.34 -0.24 -1.16 0.00 0.00 179.01 178.53 3hdu h VAL 10 N 0.46 1.26 -0.01 3.13 3.04 -1.55 -0.62 116.25 121.96 3hdu h VAL 10 Ca -0.04 -1.23 -0.00 0.00 -1.01 0.00 0.00 66.70 64.42 3hdu h VAL 10 Cb 1.30 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.20 3hdu h VAL 10 CO 0.14 0.36 -0.01 0.25 -1.01 0.00 0.00 177.57 177.29 3hdu h LEU 11 N 0.06 0.02 -0.42 3.16 5.85 -1.34 -2.31 115.31 120.34 3hdu h LEU 11 Ca 0.01 -0.56 0.01 0.00 0.84 0.00 0.00 57.88 58.17 3hdu h LEU 11 Cb 0.64 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3hdu h LEU 11 CO 0.05 0.58 0.27 0.15 -0.34 0.00 0.00 178.44 179.15 3hdu h PHE 12 N -0.53 0.51 -0.57 1.25 3.57 -1.19 -1.70 116.94 118.28 3hdu h PHE 12 Ca 0.00 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 3hdu h PHE 12 Cb 0.58 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 3hdu h PHE 12 CO 0.12 0.32 0.14 0.77 -2.23 0.00 0.00 178.31 177.43 3hdu h SER 13 N 0.55 0.86 -0.38 0.41 0.02 -1.20 -0.42 113.55 113.40 3hdu h SER 13 Ca 0.16 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3hdu h SER 13 Cb -0.05 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 3hdu h SER 13 CO -0.04 0.87 0.15 0.00 -1.14 0.00 0.00 176.83 176.66 3hdu h ALA 14 N 1.03 0.49 -0.11 3.77 0.00 -1.33 -2.61 119.26 120.50 3hdu h ALA 14 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hdu h ALA 14 Cb 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hdu h ALA 14 CO 0.00 0.10 0.03 0.28 0.00 0.00 0.00 179.25 179.66 3hdu h VAL 15 N 0.47 1.18 -0.77 0.00 2.07 -1.22 -2.90 116.25 115.08 3hdu h VAL 15 Ca 0.13 -0.54 0.12 0.00 0.82 0.00 0.00 66.70 67.22 3hdu h VAL 15 Cb 0.19 1.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 3hdu h VAL 15 CO -0.01 0.16 0.38 0.78 0.02 0.00 0.00 177.57 178.90 3hdu h ASN 16 N -0.01 0.47 -0.02 0.57 4.21 -1.03 -1.59 115.58 118.18 3hdu h ASN 16 Ca 0.04 0.08 0.01 0.00 1.21 0.00 0.00 56.30 57.64 3hdu h ASN 16 Cb 0.22 -0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 3hdu h ASN 16 CO -0.00 0.24 -0.06 -0.33 -1.29 0.00 0.00 177.43 175.99 3hdu h GLU 17 N 0.60 -0.09 -0.35 0.81 4.39 -1.42 -0.06 114.58 118.46 3hdu h GLU 17 Ca 0.40 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 3hdu h GLU 17 Cb 0.49 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 3hdu h GLU 17 CO -0.32 -0.06 0.17 0.82 -1.16 0.00 0.00 179.01 178.46 3hdu h ILE 18 N -0.10 1.16 0.19 3.13 2.04 -1.22 -1.13 117.51 121.58 3hdu h ILE 18 Ca 0.03 -0.45 -0.34 0.00 1.00 0.00 0.00 64.86 65.10 3hdu h ILE 18 Cb 0.14 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3hdu h ILE 18 CO -0.08 0.17 -1.69 -0.26 0.00 0.00 0.00 178.15 176.29 3hdu h PHE 19 N 0.42 0.73 0.14 1.37 -1.00 -1.33 -3.22 116.94 114.05 3hdu h PHE 19 Ca 0.12 -0.53 -0.31 0.00 2.81 0.00 0.00 57.97 60.06 3hdu h PHE 19 Cb 0.11 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.64 3hdu h PHE 19 CO -0.02 1.66 -1.55 0.93 -1.61 0.00 0.00 178.31 177.72 3hdu h GLU 20 N 0.07 0.30 0.00 1.51 5.08 -1.12 -3.40 114.58 117.02 3hdu h GLU 20 Ca -0.33 -0.51 -0.44 0.00 -1.00 0.00 0.00 59.36 57.08 3hdu h GLU 20 Cb 2.08 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 31.45 3hdu h GLU 20 CO 0.18 1.24 -2.51 0.39 -1.00 0.00 0.00 179.01 177.31 3hdu n GLU 21 N -3.79 0.59 0.26 2.33 4.71 -1.08 -4.72 120.64 118.95 3hdu n GLU 21 Ca -0.25 0.23 0.16 0.00 -0.01 0.00 0.00 57.16 57.29 3hdu n GLU 21 Cb 0.97 -1.48 0.60 0.00 -1.01 0.00 0.00 31.44 30.52 3hdu n GLU 21 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3hdu h LYS 22 N -0.72 0.00 -6.42 3.49 1.79 -1.31 -3.44 116.57 109.97 3hdu h LYS 22 Ca -0.66 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.27 3hdu h LYS 22 Cb 1.68 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.33 3hdu h LYS 22 CO -0.33 0.00 0.72 0.42 -1.08 0.00 0.00 179.45 179.18 3hdu s ILE 23 N -3.58 3.83 -0.40 1.86 1.01 -1.22 -4.94 121.20 117.76 3hdu s ILE 23 Ca 0.02 1.25 0.26 0.00 0.00 0.00 0.00 60.65 62.18 3hdu s ILE 23 Cb 0.08 -3.80 0.33 0.00 0.01 0.00 0.00 42.46 39.08 3hdu s ILE 23 CO 0.56 0.04 1.74 1.55 0.00 0.00 0.00 174.94 178.83 3hdu h PRO 24 N 7.35 0.00 0.00 2.79 0.13 -1.96 -3.09 132.00 137.21 3hdu h PRO 24 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3hdu h PRO 24 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hdu h PRO 24 CO 0.87 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.83 3hdu n PHE 25 N -2.79 0.00 -0.18 1.56 3.72 -1.26 -3.80 117.46 114.71 3hdu n PHE 25 Ca 0.03 0.00 0.27 0.00 -0.05 0.00 0.00 57.45 57.71 3hdu n PHE 25 Cb 0.42 -0.41 0.70 0.00 -0.94 0.00 0.00 39.48 39.25 3hdu n PHE 25 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 3hdu h ASN 26 N 0.00 0.05 0.94 4.37 -1.07 -1.67 -0.40 115.58 117.80 3hdu h ASN 26 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.38 3hdu h ASN 26 Cb 0.22 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.47 3hdu h ASN 26 CO 0.00 0.02 0.00 0.29 0.07 0.00 0.00 177.43 177.81 3hdu n LYS 27 N -4.30 0.11 -0.05 4.14 5.02 -1.25 -3.76 118.16 118.06 3hdu n LYS 27 Ca 0.18 0.20 -0.07 0.00 -2.02 0.00 0.00 58.31 56.60 3hdu n LYS 27 Cb 0.92 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 3hdu n LYS 27 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3hdu n ILE 28 N -1.84 0.58 -3.79 -0.18 0.13 -0.42 -4.93 119.36 108.90 3hdu n ILE 28 Ca 0.05 -0.22 -0.29 0.00 -1.10 0.00 0.00 62.75 61.19 3hdu n ILE 28 Cb 0.30 -0.90 -0.16 0.00 -0.84 0.00 0.00 39.64 38.04 3hdu n ILE 28 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 3hdu s ILE 29 N -2.20 0.86 0.50 9.51 1.01 -0.29 -2.64 121.20 127.95 3hdu s ILE 29 Ca -0.14 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.38 3hdu s ILE 29 Cb 0.04 -1.37 -0.06 0.00 0.01 0.00 0.00 42.46 41.07 3hdu s ILE 29 CO 0.23 -0.29 1.18 -0.83 0.00 0.00 0.00 174.94 175.24 3hdu s GLY 30 N 1.69 2.76 -0.03 6.18 0.00 0.10 -4.00 107.32 114.02 3hdu s GLY 30 Ca 0.00 0.97 -0.00 0.00 0.00 0.00 0.00 44.72 45.69 3hdu s GLY 30 CO -0.11 1.40 0.02 -2.27 0.00 0.00 0.00 173.10 172.14 3hdu s LEU 31 N -3.33 0.93 -0.01 0.66 0.20 -1.26 -1.50 118.68 114.37 3hdu s LEU 31 Ca 0.68 0.01 0.04 0.00 0.69 0.00 0.00 54.13 55.55 3hdu s LEU 31 Cb -0.29 -0.16 -0.01 0.00 -0.43 0.00 0.00 46.19 45.29 3hdu s LEU 31 CO 0.34 -0.14 -0.13 -0.54 -0.29 0.00 0.00 176.35 175.59 3hdu s LYS 32 N 1.28 1.07 -0.57 1.98 3.01 -0.42 -4.43 119.74 121.66 3hdu s LYS 32 Ca -0.06 -0.50 -0.21 0.00 -1.01 0.00 0.00 55.97 54.19 3hdu s LYS 32 Cb -0.13 -1.04 0.07 0.00 -1.01 0.00 0.00 37.83 35.72 3hdu s LYS 32 CO -0.03 0.28 0.78 0.08 0.51 0.00 0.00 175.35 176.98 3hdu s VAL 33 N -0.36 4.64 0.09 3.17 1.01 -1.26 -1.34 120.40 126.36 3hdu s VAL 33 Ca 0.05 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3hdu s VAL 33 Cb -0.05 -4.48 -0.22 0.00 0.00 0.00 0.00 36.38 31.63 3hdu s VAL 33 CO -0.00 -1.09 1.22 0.03 0.00 0.00 0.00 175.10 175.26 3hdu h ARG 34 N 9.23 0.57 -1.96 2.72 2.47 -1.40 -3.48 114.38 122.53 3hdu h ARG 34 Ca -0.28 -0.64 -0.04 0.00 -1.26 0.00 0.00 59.98 57.76 3hdu h ARG 34 Cb 1.08 0.19 -0.20 0.00 -1.65 0.00 0.00 29.97 29.39 3hdu h ARG 34 CO 1.07 1.25 0.19 0.12 0.56 0.00 0.00 179.97 183.16 3hdu s PHE 35 N -3.24 -0.69 0.01 3.04 5.36 -1.01 -4.98 117.98 116.47 3hdu s PHE 35 Ca -0.08 1.45 -0.01 0.00 -0.96 0.00 0.00 56.93 57.33 3hdu s PHE 35 Cb 0.07 0.35 -0.01 0.00 -0.34 0.00 0.00 43.02 43.09 3hdu s PHE 35 CO 0.90 -0.48 -0.00 0.96 -1.46 0.00 0.00 175.22 175.14 3hdu s ILE 36 N -0.46 0.08 0.05 3.12 -4.36 -1.26 -0.99 121.20 117.38 3hdu s ILE 36 Ca -0.05 -0.63 -0.27 0.00 -0.26 0.00 0.00 60.65 59.44 3hdu s ILE 36 Cb -0.02 -0.21 0.09 0.00 1.25 0.00 0.00 42.46 43.56 3hdu s ILE 36 CO 0.05 -0.34 0.90 -0.94 0.24 0.00 0.00 174.94 174.85 3hdu s SER 37 N -1.02 -0.31 0.59 4.36 1.04 -0.19 -4.97 113.70 113.20 3hdu s SER 37 Ca -0.11 -0.13 0.30 0.00 0.48 0.00 0.00 55.95 56.48 3hdu s SER 37 Cb -0.07 0.43 1.78 0.00 0.10 0.00 0.00 66.02 68.26 3hdu s SER 37 CO -0.00 -0.72 2.21 -0.65 0.98 0.00 0.00 173.24 175.05 3hdu h PRO 38 N 2.00 0.00 -0.01 4.02 0.11 -1.98 -3.10 132.00 133.04 3hdu h PRO 38 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3hdu h PRO 38 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hdu h PRO 38 CO 0.29 0.00 -0.32 -0.85 -0.21 0.00 0.00 178.00 176.91 3hdu n GLU 39 N -3.81 2.57 -3.63 1.05 -0.00 -1.26 -3.86 120.64 111.69 3hdu n GLU 39 Ca -0.01 -0.41 -0.13 0.00 -0.00 0.00 0.00 57.16 56.60 3hdu n GLU 39 Cb 0.16 -1.07 -0.07 0.00 -0.00 0.00 0.00 31.44 30.46 3hdu n GLU 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 3hdu s GLN 40 N -1.63 0.78 0.17 3.44 0.74 -1.17 -2.14 119.66 119.86 3hdu s GLN 40 Ca 0.07 0.94 0.04 0.00 0.05 0.00 0.00 55.36 56.47 3hdu s GLN 40 Cb 0.08 0.37 -0.05 0.00 1.10 0.00 0.00 33.01 34.52 3hdu s GLN 40 CO 0.33 -0.09 -0.08 0.14 -0.55 0.00 0.00 175.29 175.04 3hdu s VAL 41 N 0.39 1.17 -0.16 1.34 -7.23 -0.34 -1.02 120.40 114.56 3hdu s VAL 41 Ca 0.00 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 58.06 3hdu s VAL 41 Cb -0.05 -2.00 0.08 0.00 0.56 0.00 0.00 36.38 34.96 3hdu s VAL 41 CO -0.01 -0.61 0.29 -0.75 -0.31 0.00 0.00 175.10 173.71 3hdu s LYS 42 N -3.77 0.19 -0.02 4.82 2.20 -0.16 -0.78 119.74 122.22 3hdu s LYS 42 Ca 0.20 0.72 0.05 0.00 -0.36 0.00 0.00 55.97 56.59 3hdu s LYS 42 Cb 0.03 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.20 3hdu s LYS 42 CO 0.03 -0.34 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.01 3hdu s LEU 43 N 2.45 2.63 -0.05 5.43 1.43 0.12 -0.95 118.68 129.74 3hdu s LEU 43 Ca 0.02 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3hdu s LEU 43 Cb -0.13 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3hdu s LEU 43 CO -0.10 0.31 -0.13 -0.94 0.23 0.00 0.00 176.35 175.72 3hdu s SER 44 N -0.95 4.10 0.19 2.29 1.04 -0.45 -0.27 113.70 119.65 3hdu s SER 44 Ca 0.12 -0.18 0.10 0.00 0.48 0.00 0.00 55.95 56.48 3hdu s SER 44 Cb -0.11 -0.90 -0.04 0.00 0.10 0.00 0.00 66.02 65.07 3hdu s SER 44 CO 0.02 0.34 -0.22 -0.36 0.98 0.00 0.00 173.24 174.01 3hdu s PHE 45 N -0.71 2.12 0.00 5.02 0.40 0.14 -1.30 117.98 123.64 3hdu s PHE 45 Ca 0.11 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 3hdu s PHE 45 Cb -0.11 -1.04 0.00 0.00 0.51 0.00 0.00 43.02 42.38 3hdu s PHE 45 CO 0.01 0.45 0.00 -1.91 0.70 0.00 0.00 175.22 174.47 3hdu n GLU 46 N 0.23 0.31 0.00 0.44 2.13 -0.57 -1.85 120.64 121.33 3hdu n GLU 46 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 3hdu n GLU 46 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 3hdu n GLU 46 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hdu n ARG 48 N 0.00 0.00 -3.86 5.31 1.74 -1.08 -0.72 116.66 118.05 3hdu n ARG 48 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 3hdu n ARG 48 Cb 0.00 -0.30 -0.13 0.00 -1.02 0.00 0.00 32.46 31.01 3hdu n ARG 48 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hdu s ASP 49 N -1.84 5.03 0.21 0.55 -1.08 -1.26 -4.99 116.67 113.29 3hdu s ASP 49 Ca 0.00 -1.49 0.21 0.00 -0.52 0.00 0.00 52.55 50.75 3hdu s ASP 49 Cb 0.00 -1.76 0.91 0.00 -1.46 0.00 0.00 42.92 40.62 3hdu s ASP 49 CO 0.00 -0.35 1.65 -0.62 0.52 0.00 0.00 175.17 176.37 3hdu n GLU 50 N 4.62 0.15 -3.18 4.34 1.02 -1.26 -4.93 120.64 121.41 3hdu n GLU 50 Ca -0.10 0.42 -0.15 0.00 -0.02 0.00 0.00 57.16 57.31 3hdu n GLU 50 Cb 0.43 -1.81 0.05 0.00 -0.02 0.00 0.00 31.44 30.09 3hdu n GLU 50 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hdu n LEU 51 N -2.10 -2.88 -4.73 -4.62 4.77 -1.26 -4.99 117.00 101.20 3hdu n LEU 51 Ca 0.02 -0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 55.25 3hdu n LEU 51 Cb 0.20 -2.07 -0.03 0.00 -2.33 0.00 0.00 43.42 39.18 3hdu n LEU 51 CO 0.17 0.41 0.95 -0.63 -1.33 0.00 0.00 177.39 176.96 3hdu s ILE 52 N -3.20 3.43 0.00 -0.08 1.09 -1.26 -2.78 121.20 118.40 3hdu s ILE 52 Ca 0.36 1.15 0.00 0.00 -1.10 0.00 0.00 60.65 61.06 3hdu s ILE 52 Cb -0.16 -3.73 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 3hdu s ILE 52 CO 0.45 0.15 0.00 0.61 -0.10 0.00 0.00 174.94 176.06 3hdu n GLY 53 N 2.56 0.86 3.72 6.18 0.00 -1.26 -5.03 105.19 112.22 3hdu n GLY 53 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3hdu n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hdu s ASN 54 N -2.74 7.30 0.53 1.61 3.84 -1.12 -4.95 114.94 119.41 3hdu s ASN 54 Ca 0.00 1.84 0.25 0.00 0.21 0.00 0.00 52.86 55.16 3hdu s ASN 54 Cb 0.00 -2.58 1.38 0.00 -0.55 0.00 0.00 41.25 39.50 3hdu s ASN 54 CO 0.00 -0.27 1.99 0.00 -2.79 0.00 0.00 177.10 176.03 3hdu h ALA 55 N 6.32 2.50 -1.16 1.71 0.00 -1.95 -2.61 119.26 124.06 3hdu h ALA 55 Ca -0.42 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 53.93 3hdu h ALA 55 Cb 1.22 0.04 -0.42 0.00 0.00 0.00 0.00 17.79 18.62 3hdu h ALA 55 CO 0.76 -0.65 -0.82 0.44 0.00 0.00 0.00 179.25 178.97 3hdu n ILE 56 N -4.38 2.26 0.28 0.00 -5.35 -1.26 -4.90 119.36 106.01 3hdu n ILE 56 Ca 0.10 -4.44 -0.16 0.00 -0.27 0.00 0.00 62.75 57.98 3hdu n ILE 56 Cb 0.62 -0.94 -0.08 0.00 -1.74 0.00 0.00 39.64 37.49 3hdu n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3hdu h ARG 57 N 2.48 -0.70 -0.54 6.28 2.43 -1.77 -1.93 114.38 120.63 3hdu h ARG 57 Ca 0.27 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3hdu h ARG 57 Cb 1.17 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3hdu h ARG 57 CO 0.76 -0.47 0.00 0.54 -1.51 0.00 0.00 179.97 179.29 3hdu n ARG 58 N -5.42 0.00 0.00 0.20 1.74 -1.26 -2.14 116.66 109.78 3hdu n ARG 58 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3hdu n ARG 58 Cb 0.32 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 3hdu n ARG 58 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hdu n LEU 60 N 0.55 0.00 0.24 0.55 4.77 -0.73 -2.77 117.00 119.61 3hdu n LEU 60 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3hdu n LEU 60 Cb 0.00 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 41.65 3hdu n LEU 60 CO 0.00 0.00 0.94 1.88 -1.33 0.00 0.00 177.39 178.88 3hdu h TYR 61 N 0.00 0.00 -0.28 -1.77 -1.99 -1.71 -2.38 116.97 108.83 3hdu h TYR 61 Ca 0.00 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 3hdu h TYR 61 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 3hdu h TYR 61 CO 0.00 0.15 0.17 0.78 -0.00 0.00 0.00 178.16 179.26 3hdu h GLY 62 N 0.49 0.39 1.05 3.88 0.00 -1.81 0.21 103.07 107.28 3hdu h GLY 62 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 3hdu h GLY 62 CO 0.02 0.12 0.13 -1.33 0.00 0.00 0.00 176.54 175.48 3hdu h GLY 63 N 0.35 1.15 0.92 4.60 0.00 -1.84 -1.75 103.07 106.51 3hdu h GLY 63 Ca 0.11 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 3hdu h GLY 63 CO -0.04 0.69 0.08 -2.08 0.00 0.00 0.00 176.54 175.19 3hdu h VAL 64 N 0.99 1.12 -0.73 4.60 2.07 -1.25 -1.63 116.25 121.42 3hdu h VAL 64 Ca 0.20 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3hdu h VAL 64 Cb 0.40 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3hdu h VAL 64 CO 0.01 0.11 0.47 0.40 0.02 0.00 0.00 177.57 178.57 3hdu h ILE 65 N 0.14 1.20 -0.60 4.57 2.04 -0.89 -1.14 117.51 122.83 3hdu h ILE 65 Ca 0.06 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 3hdu h ILE 65 Cb 0.10 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 3hdu h ILE 65 CO -0.01 0.20 0.08 0.77 0.00 0.00 0.00 178.15 179.19 3hdu h SER 66 N 1.00 0.95 -0.22 1.72 4.64 -1.23 -1.89 113.55 118.52 3hdu h SER 66 Ca 0.27 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3hdu h SER 66 Cb -0.08 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.75 3hdu h SER 66 CO -0.05 0.96 0.00 0.28 -0.87 0.00 0.00 176.83 177.15 3hdu h SER 67 N 0.93 0.38 -0.63 4.97 0.02 -1.01 -1.95 113.55 116.25 3hdu h SER 67 Ca 0.18 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3hdu h SER 67 Cb 0.44 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 3hdu h SER 67 CO 0.01 0.59 0.38 0.00 -1.14 0.00 0.00 176.83 176.67 3hdu h ALA 68 N 0.80 0.83 -0.44 3.77 0.00 -1.12 -2.61 119.26 120.49 3hdu h ALA 68 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3hdu h ALA 68 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hdu h ALA 68 CO 0.01 0.11 0.17 0.82 0.00 0.00 0.00 179.25 180.35 3hdu h ILE 69 N 0.73 1.21 0.00 0.00 2.04 -1.35 -0.92 117.51 119.22 3hdu h ILE 69 Ca 0.26 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3hdu h ILE 69 Cb 0.07 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3hdu h ILE 69 CO -0.12 0.24 0.00 -0.67 0.00 0.00 0.00 178.15 177.59 3hdu n ASP 70 N -4.60 0.19 0.00 1.72 2.03 -0.74 -0.87 116.55 114.27 3hdu n ASP 70 Ca 0.00 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.03 3hdu n ASP 70 Cb 0.16 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 3hdu n ASP 70 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3hdu n THR 72 N 0.50 0.00 -0.32 5.18 -1.04 -0.35 -1.25 114.28 117.00 3hdu n THR 72 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3hdu n THR 72 Cb 0.04 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.63 3hdu n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hdu h ALA 73 N 0.00 1.10 -0.82 2.41 0.00 -1.26 -1.58 119.26 119.11 3hdu h ALA 73 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hdu h ALA 73 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 3hdu h ALA 73 CO 0.00 0.61 0.48 0.78 0.00 0.00 0.00 179.25 181.12 3hdu h GLY 74 N 1.20 1.20 1.00 0.00 0.00 -1.42 0.11 103.07 105.16 3hdu h GLY 74 Ca 0.30 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 3hdu h GLY 74 CO -0.05 0.50 -0.18 -2.00 0.00 0.00 0.00 176.54 174.82 3hdu h LEU 75 N 1.13 0.80 -0.87 3.11 5.85 -1.79 -2.11 115.31 121.43 3hdu h LEU 75 Ca 0.29 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3hdu h LEU 75 Cb -0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3hdu h LEU 75 CO -0.05 1.03 0.25 0.00 -0.34 0.00 0.00 178.44 179.33 3hdu h ALA 76 N 0.80 1.09 -0.14 1.25 0.00 -1.02 -2.91 119.26 118.33 3hdu h ALA 76 Ca 0.08 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hdu h ALA 76 Cb 0.72 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hdu h ALA 76 CO 0.05 0.63 0.07 0.00 0.00 0.00 0.00 179.25 180.00 3hdu h ALA 77 N 1.22 0.17 0.00 0.00 0.00 -0.72 -2.41 119.26 117.52 3hdu h ALA 77 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hdu h ALA 77 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hdu h ALA 77 CO -0.01 -0.37 0.00 0.34 0.00 0.00 0.00 179.25 179.21 3hdu n PHE 78 N -5.03 0.00 0.00 0.00 7.35 -0.80 -1.57 117.46 117.41 3hdu n PHE 78 Ca -0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 3hdu n PHE 78 Cb 0.05 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.86 3hdu n PHE 78 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hdu n GLY 80 N 0.48 0.00 0.30 7.13 0.00 -0.91 -1.26 105.19 110.92 3hdu n GLY 80 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3hdu n GLY 80 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hdu h PHE 81 N 0.00 1.09 -0.03 1.61 0.04 -1.58 -3.04 116.94 115.03 3hdu h PHE 81 Ca 0.00 -0.12 -0.06 0.00 2.80 0.00 0.00 57.97 60.60 3hdu h PHE 81 Cb 0.00 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 3hdu h PHE 81 CO 0.00 0.89 -0.25 -0.56 -0.60 0.00 0.00 178.31 177.79 3hdu h GLN 82 N 0.97 0.05 -0.89 1.51 -0.00 -1.45 -2.50 115.11 112.79 3hdu h GLN 82 Ca 0.21 -0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.86 3hdu h GLN 82 Cb 0.33 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.48 27.76 3hdu h GLN 82 CO -0.00 0.29 0.58 1.49 -0.00 0.00 0.00 178.83 181.19 3hdu h GLU 83 N 0.04 1.19 -3.58 0.06 4.57 -1.78 -3.38 114.58 111.70 3hdu h GLU 83 Ca 0.01 -0.08 -0.31 0.00 -1.18 0.00 0.00 59.36 57.80 3hdu h GLU 83 Cb 0.46 -0.26 0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3hdu h GLU 83 CO 0.03 0.79 2.29 1.63 -1.18 0.00 0.00 179.01 182.57 3hdu n LYS 84 N -4.45 1.66 0.01 1.92 5.02 -0.95 -4.99 118.16 116.39 3hdu n LYS 84 Ca 0.10 -1.28 0.00 0.00 -2.02 0.00 0.00 58.31 55.11 3hdu n LYS 84 Cb 0.02 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.66 3hdu n LYS 84 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hdu n SER 86 N 4.45 -0.15 -0.06 4.39 3.41 -1.26 -5.04 113.62 119.36 3hdu n SER 86 Ca 0.36 0.35 0.15 0.00 -0.26 0.00 0.00 58.87 59.47 3hdu n SER 86 Cb 0.11 0.46 0.84 0.00 -0.26 0.00 0.00 64.21 65.36 3hdu n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hdu n GLY 87 N -1.19 -0.94 3.85 5.00 0.00 -1.26 -4.92 105.19 105.73 3hdu n GLY 87 Ca 0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 3hdu n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hdu s LYS 88 N -2.14 3.80 0.00 1.61 -0.14 -1.26 -5.22 119.74 116.40 3hdu s LYS 88 Ca 0.42 0.93 0.00 0.00 -1.36 0.00 0.00 55.97 55.96 3hdu s LYS 88 Cb 0.21 -2.11 0.00 0.00 -1.68 0.00 0.00 37.83 34.25 3hdu s LYS 88 CO 0.39 -0.40 0.00 -0.35 -0.76 0.00 0.00 175.35 174.23 3hdu n PRO 89 N -1.91 0.00 0.00 -1.68 -0.05 -1.26 -4.93 135.00 125.16 3hdu n PRO 89 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.52 3hdu n PRO 89 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.99 3hdu n PRO 89 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 3hdu n GLU 91 N 0.00 0.00 0.06 0.54 -0.00 -1.26 -2.87 120.64 117.11 3hdu n GLU 91 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 57.13 3hdu n GLU 91 Cb 0.00 -0.01 0.20 0.00 -0.00 0.00 0.00 31.44 31.63 3hdu n GLU 91 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3hdu h GLU 92 N 0.00 0.34 -0.10 3.44 5.08 -1.98 -1.41 114.58 119.95 3hdu h GLU 92 Ca 0.00 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3hdu h GLU 92 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3hdu h GLU 92 CO 0.00 0.68 0.00 0.87 -1.00 0.00 0.00 179.01 179.56 3hdu h LYS 93 N 0.29 0.17 -0.64 2.33 1.57 -1.89 -3.16 116.57 115.24 3hdu h LYS 93 Ca 0.03 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3hdu h LYS 93 Cb 0.81 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 3hdu h LYS 93 CO 0.06 0.42 0.22 -0.07 -0.57 0.00 0.00 179.45 179.51 3hdu h LEU 94 N -0.10 0.89 -3.31 2.94 4.07 -1.85 -3.27 115.31 114.68 3hdu h LEU 94 Ca 0.03 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3hdu h LEU 94 Cb 0.34 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3hdu h LEU 94 CO 0.00 0.83 0.00 0.00 -1.08 0.00 0.00 178.44 178.19 3hdu n ALA 95 N -2.45 1.94 0.00 1.53 0.00 -0.54 -4.34 120.51 116.65 3hdu n ALA 95 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3hdu n ALA 95 Cb 0.20 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3hdu n ALA 95 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3hdu n ILE 97 N 1.63 0.00 0.36 0.00 3.06 -1.24 -4.29 119.36 118.88 3hdu n ILE 97 Ca 0.00 0.00 0.14 0.00 -2.50 0.00 0.00 62.75 60.39 3hdu n ILE 97 Cb 0.10 0.00 0.55 0.00 0.54 0.00 0.00 39.64 40.84 3hdu n ILE 97 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 3hdu h GLY 98 N 0.00 0.00 0.92 4.50 0.00 -1.93 -3.07 103.07 103.49 3hdu h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hdu h GLY 98 CO 0.00 0.00 -0.56 0.54 0.00 0.00 0.00 176.54 176.52 3hdu n ARG 99 N -2.63 0.02 -2.12 4.80 1.74 -1.26 -4.92 116.66 112.29 3hdu n ARG 99 Ca 0.02 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 3hdu n ARG 99 Cb 0.29 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 3hdu n ARG 99 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hdu s LEU 100 N -3.07 4.34 -0.00 0.55 1.43 -1.16 -0.77 118.68 119.99 3hdu s LEU 100 Ca 0.10 2.26 0.01 0.00 -1.03 0.00 0.00 54.13 55.47 3hdu s LEU 100 Cb 0.17 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.83 3hdu s LEU 100 CO 0.72 -0.77 -0.03 -0.55 0.23 0.00 0.00 176.35 175.94 3hdu s SER 101 N 2.01 0.38 0.98 2.29 0.15 -0.38 -4.96 113.70 114.17 3hdu s SER 101 Ca 0.67 -0.07 -0.13 0.00 0.70 0.00 0.00 55.95 57.12 3hdu s SER 101 Cb -0.35 -0.04 0.18 0.00 -1.71 0.00 0.00 66.02 64.10 3hdu s SER 101 CO 0.29 0.03 1.11 -0.89 1.20 0.00 0.00 173.24 174.98 3hdu s THR 102 N -0.12 1.98 0.20 6.45 2.01 -1.26 -1.16 115.64 123.74 3hdu s THR 102 Ca 0.01 0.00 -0.33 0.00 0.31 0.00 0.00 61.69 61.68 3hdu s THR 102 Cb -0.02 -2.60 -0.13 0.00 0.01 0.00 0.00 72.50 69.77 3hdu s THR 102 CO -0.00 0.00 1.65 -0.24 -0.69 0.00 0.00 174.62 175.34 3hdu n SER 104 N -4.06 3.60 -3.94 3.53 2.88 -1.16 -4.92 113.62 109.55 3hdu n SER 104 Ca 0.06 1.08 -0.30 0.00 -1.33 0.00 0.00 58.87 58.38 3hdu n SER 104 Cb 0.58 -1.52 -0.16 0.00 -0.75 0.00 0.00 64.21 62.37 3hdu n SER 104 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3hdu s LEU 105 N 0.89 2.48 -0.21 2.46 2.96 -1.26 -0.97 118.68 125.03 3hdu s LEU 105 Ca 0.75 -1.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3hdu s LEU 105 Cb -0.57 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3hdu s LEU 105 CO 0.36 -0.23 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.06 3hdu s HIS 106 N 1.41 2.90 -0.09 5.38 3.76 -0.14 -5.02 115.29 123.49 3hdu s HIS 106 Ca -0.05 -1.34 0.01 0.00 -0.15 0.00 0.00 55.06 53.53 3hdu s HIS 106 Cb -0.18 -2.02 0.02 0.00 1.11 0.00 0.00 32.58 31.51 3hdu s HIS 106 CO -0.06 -0.69 -0.10 0.08 -0.85 0.00 0.00 174.74 173.11 3hdu s VAL 107 N 1.37 1.11 -0.19 -0.90 1.01 -1.26 -0.58 120.40 120.97 3hdu s VAL 107 Ca 0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 3hdu s VAL 107 Cb -0.14 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3hdu s VAL 107 CO -0.08 0.37 -0.04 -1.61 0.00 0.00 0.00 175.10 173.74 3hdu s GLU 108 N 1.15 3.53 -0.24 2.72 0.41 -0.13 -5.00 118.70 121.14 3hdu s GLU 108 Ca -0.05 -0.57 -0.09 0.00 -0.41 0.00 0.00 54.97 53.85 3hdu s GLU 108 Cb -0.14 -2.97 -0.04 0.00 -1.78 0.00 0.00 34.13 29.20 3hdu s GLU 108 CO -0.02 0.03 0.11 0.71 -0.49 0.00 0.00 175.26 175.60 3hdu s TYR 109 N 0.92 3.20 0.04 1.61 1.51 -1.26 -1.19 117.35 122.18 3hdu s TYR 109 Ca -0.00 -0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.03 3hdu s TYR 109 Cb -0.15 -2.23 -0.25 0.00 -0.11 0.00 0.00 41.96 39.22 3hdu s TYR 109 CO 0.01 -0.11 0.98 -0.07 -1.11 0.00 0.00 175.55 175.26 3hdu h LEU 110 N 7.74 0.19 -7.46 -1.29 3.38 -1.16 -3.49 115.31 113.23 3hdu h LEU 110 Ca -0.37 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.36 3hdu h LEU 110 Cb 1.18 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 3hdu h LEU 110 CO 0.62 1.21 0.19 0.00 0.09 0.00 0.00 178.44 180.55 3hdu s ARG 111 N -2.65 1.48 0.08 1.13 1.70 -1.17 -5.06 118.95 114.47 3hdu s ARG 111 Ca -0.04 -0.71 -0.30 0.00 -0.47 0.00 0.00 55.73 54.20 3hdu s ARG 111 Cb 0.08 0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 34.99 3hdu s ARG 111 CO 0.84 -0.66 1.09 -1.25 -1.08 0.00 0.00 175.30 174.25 3hdu s PRO 112 N -3.83 4.53 0.13 3.89 0.04 -1.26 -4.78 135.00 133.72 3hdu s PRO 112 Ca 0.06 1.64 -0.32 0.00 0.04 0.00 0.00 61.00 62.42 3hdu s PRO 112 Cb -0.03 -3.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 3hdu s PRO 112 CO -0.04 -0.07 1.55 0.78 0.04 0.00 0.00 177.00 179.26 3hdu h GLY 113 N 6.22 -0.93 -5.75 0.56 0.00 -1.91 -3.46 103.07 97.80 3hdu h GLY 113 Ca -0.42 0.69 -0.32 0.00 0.00 0.00 0.00 47.33 47.28 3hdu h GLY 113 CO 0.76 -0.14 -0.46 1.04 0.00 0.00 0.00 176.54 177.75 3hdu n LEU 114 N -5.39 -0.42 -4.28 3.11 4.32 -1.26 -4.93 117.00 108.16 3hdu n LEU 114 Ca -0.03 -0.44 -0.17 0.00 -0.02 0.00 0.00 56.01 55.35 3hdu n LEU 114 Cb 0.35 -1.17 -0.11 0.00 -1.62 0.00 0.00 43.42 40.87 3hdu n LEU 114 CO 0.02 0.05 -0.44 -0.83 -1.22 0.00 0.00 177.39 174.97 3hdu s GLY 115 N -2.45 1.19 -0.07 -0.72 0.00 -1.26 -5.09 107.32 98.91 3hdu s GLY 115 Ca 0.42 -1.45 -0.15 0.00 0.00 0.00 0.00 44.72 43.54 3hdu s GLY 115 CO 0.52 -1.53 0.54 -0.09 0.00 0.00 0.00 173.10 172.54 3hdu h ARG 116 N 3.05 -0.18 -5.31 2.90 2.43 -1.96 -3.45 114.38 111.86 3hdu h ARG 116 Ca -0.39 0.01 -0.62 0.00 -0.81 0.00 0.00 59.98 58.17 3hdu h ARG 116 Cb 1.20 0.04 -0.17 0.00 -0.42 0.00 0.00 29.97 30.62 3hdu h ARG 116 CO 0.57 0.14 -0.59 -1.21 -1.51 0.00 0.00 179.97 177.37 3hdu s GLU 117 N -2.67 3.86 0.03 0.20 2.02 -1.26 -4.32 118.70 116.56 3hdu s GLU 117 Ca -0.09 -0.39 0.02 0.00 0.02 0.00 0.00 54.97 54.52 3hdu s GLU 117 Cb -0.00 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.10 3hdu s GLU 117 CO 0.31 0.28 -0.06 -0.59 0.02 0.00 0.00 175.26 175.22 3hdu s PHE 118 N 0.31 0.53 -0.01 1.61 -0.12 -0.77 -1.74 117.98 117.79 3hdu s PHE 118 Ca 0.01 -0.43 0.07 0.00 -0.05 0.00 0.00 56.93 56.54 3hdu s PHE 118 Cb -0.13 -0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 41.91 3hdu s PHE 118 CO 0.01 -0.09 -0.23 0.54 -0.05 0.00 0.00 175.22 175.39 3hdu s VAL 119 N -1.17 2.30 -0.08 -2.49 0.11 -1.26 0.23 120.40 118.04 3hdu s VAL 119 Ca -0.09 -1.08 0.01 0.00 -2.93 0.00 0.00 61.98 57.89 3hdu s VAL 119 Cb -0.09 -1.84 0.02 0.00 -1.53 0.00 0.00 36.38 32.95 3hdu s VAL 119 CO 0.00 0.54 -0.10 0.00 -3.33 0.00 0.00 175.10 172.22 3hdu s THR 121 N 1.08 3.82 -0.19 0.00 2.01 -0.48 -0.70 115.64 121.18 3hdu s THR 121 Ca -0.07 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 3hdu s THR 121 Cb -0.14 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 3hdu s THR 121 CO -0.01 0.47 -0.01 -0.83 -0.69 0.00 0.00 174.62 173.54 3hdu s GLY 122 N 0.64 1.71 -0.23 4.40 0.00 0.04 -1.58 107.32 112.30 3hdu s GLY 122 Ca -0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 44.72 43.71 3hdu s GLY 122 CO 0.02 0.14 0.00 -0.19 0.00 0.00 0.00 173.10 173.07 3hdu s TYR 123 N 0.79 3.01 -0.65 1.90 2.02 0.13 -1.20 117.35 123.35 3hdu s TYR 123 Ca -0.00 -0.71 -0.28 0.00 -0.37 0.00 0.00 57.07 55.71 3hdu s TYR 123 Cb -0.14 -2.15 0.03 0.00 -0.40 0.00 0.00 41.96 39.29 3hdu s TYR 123 CO 0.02 -0.46 1.29 1.21 -1.57 0.00 0.00 175.55 176.04 3hdu s ASN 124 N 1.49 6.23 0.01 2.29 3.84 -0.91 -1.04 114.94 126.85 3hdu s ASN 124 Ca 0.06 -0.12 -0.25 0.00 0.21 0.00 0.00 52.86 52.76 3hdu s ASN 124 Cb -0.15 -2.55 -0.15 0.00 -0.55 0.00 0.00 41.25 37.85 3hdu s ASN 124 CO -0.00 -1.71 1.10 0.58 -2.79 0.00 0.00 177.10 174.27 3hdu h VAL 125 N 6.15 0.21 -3.21 -5.21 2.07 -1.59 -3.47 116.25 111.21 3hdu h VAL 125 Ca -0.27 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 66.68 3hdu h VAL 125 Cb 1.06 0.30 -0.23 0.00 -1.52 0.00 0.00 31.29 30.90 3hdu h VAL 125 CO 1.23 0.03 -0.42 0.00 0.02 0.00 0.00 177.57 178.44 3hdu s ARG 126 N -4.53 0.40 -0.27 1.57 1.70 -1.21 -5.05 118.95 111.56 3hdu s ARG 126 Ca -0.13 0.07 0.03 0.00 -0.47 0.00 0.00 55.73 55.22 3hdu s ARG 126 Cb 0.02 0.18 0.07 0.00 -0.57 0.00 0.00 34.95 34.65 3hdu s ARG 126 CO 0.44 -0.08 -0.06 0.99 -1.08 0.00 0.00 175.30 175.51 3hdu s THR 127 N -0.49 2.07 0.00 4.99 2.01 -1.26 -1.66 115.64 121.30 3hdu s THR 127 Ca -0.06 -1.72 0.00 0.00 0.31 0.00 0.00 61.69 60.22 3hdu s THR 127 Cb -0.04 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.19 3hdu s THR 127 CO 0.01 -0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 3hdu n GLY 128 N 4.44 0.48 0.14 4.40 0.00 0.36 -5.01 105.19 110.00 3hdu n GLY 128 Ca -0.10 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 3hdu n GLY 128 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3hdu h ASN 129 N 0.00 -0.19 0.00 1.61 -1.24 -2.03 -3.40 115.58 110.33 3hdu h ASN 129 Ca 0.00 -0.34 0.00 0.00 0.71 0.00 0.00 56.30 56.67 3hdu h ASN 129 Cb 0.00 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.10 3hdu h ASN 129 CO 0.00 0.35 -0.43 0.29 -1.29 0.00 0.00 177.43 176.35 3hdu n LYS 130 N -4.93 4.17 -5.11 6.67 4.76 -1.26 -5.00 118.16 117.46 3hdu n LYS 130 Ca -0.08 -0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.06 3hdu n LYS 130 Cb 0.26 -0.89 -0.16 0.00 -1.84 0.00 0.00 35.03 32.40 3hdu n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hdu s VAL 131 N -1.78 1.83 -0.21 -0.18 1.01 -1.26 -3.05 120.40 116.76 3hdu s VAL 131 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3hdu s VAL 131 Cb 0.06 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.92 3hdu s VAL 131 CO 0.32 0.51 -0.16 0.00 0.00 0.00 0.00 175.10 175.77 3hdu s ALA 132 N -0.10 2.38 -0.26 5.51 0.00 -0.02 -0.49 121.76 128.79 3hdu s ALA 132 Ca -0.04 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.42 3hdu s ALA 132 Cb -0.13 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 3hdu s ALA 132 CO 0.03 -0.67 0.18 0.08 0.00 0.00 0.00 175.76 175.38 3hdu s VAL 133 N 1.24 5.34 -0.05 0.00 1.01 -0.67 -1.01 120.40 126.25 3hdu s VAL 133 Ca -0.00 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.22 3hdu s VAL 133 Cb -0.16 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3hdu s VAL 133 CO -0.10 0.30 -0.23 -0.63 0.00 0.00 0.00 175.10 174.44 3hdu s ILE 134 N 1.39 2.23 -0.15 2.22 1.09 0.53 -1.49 121.20 127.00 3hdu s ILE 134 Ca 0.07 -1.02 -0.05 0.00 -1.10 0.00 0.00 60.65 58.56 3hdu s ILE 134 Cb -0.15 -1.81 -0.03 0.00 -1.06 0.00 0.00 42.46 39.41 3hdu s ILE 134 CO 0.08 0.57 -0.00 0.00 -0.10 0.00 0.00 174.94 175.49 3hdu s ARG 135 N -0.31 3.69 0.16 2.79 3.03 -0.20 -0.77 118.95 127.32 3hdu s ARG 135 Ca 0.01 -0.45 0.09 0.00 2.03 0.00 0.00 55.73 57.41 3hdu s ARG 135 Cb -0.13 -2.99 -0.04 0.00 -1.03 0.00 0.00 34.95 30.76 3hdu s ARG 135 CO 0.02 0.31 -0.21 0.95 -1.13 0.00 0.00 175.30 175.24 3hdu s THR 136 N 0.21 1.96 -0.08 4.99 -4.23 0.86 0.20 115.64 119.54 3hdu s THR 136 Ca 0.00 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 3hdu s THR 136 Cb -0.13 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.87 3hdu s THR 136 CO 0.02 -0.19 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.24 3hdu s GLU 137 N -2.53 1.26 0.25 3.99 2.02 -0.61 -1.50 118.70 121.58 3hdu s GLU 137 Ca 0.15 -0.19 0.09 0.00 0.02 0.00 0.00 54.97 55.04 3hdu s GLU 137 Cb -0.07 -1.31 -0.04 0.00 0.10 0.00 0.00 34.13 32.80 3hdu s GLU 137 CO 0.07 -0.19 0.01 -1.17 0.02 0.00 0.00 175.26 174.00 3hdu s LEU 138 N 1.44 3.26 0.00 1.80 0.20 0.12 -1.39 118.68 124.12 3hdu s LEU 138 Ca -0.01 -0.56 0.01 0.00 0.69 0.00 0.00 54.13 54.25 3hdu s LEU 138 Cb -0.13 -1.81 -0.00 0.00 -0.43 0.00 0.00 46.19 43.81 3hdu s LEU 138 CO -0.04 0.02 0.04 -0.46 -0.29 0.00 0.00 176.35 175.61 3hdu n ASN 140 N -0.76 1.26 -0.30 3.68 0.23 -1.06 -1.56 115.26 116.75 3hdu n ASN 140 Ca -0.07 -1.64 0.14 0.00 -0.53 0.00 0.00 54.58 52.48 3hdu n ASN 140 Cb 0.58 0.27 0.31 0.00 -2.08 0.00 0.00 39.78 38.86 3hdu n ASN 140 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3hdu h ASP 141 N 0.46 0.07 -0.21 0.53 3.32 -1.71 -2.54 116.42 116.33 3hdu h ASP 141 Ca -0.10 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3hdu h ASP 141 Cb 0.36 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3hdu h ASP 141 CO 0.16 -0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3hdu n GLN 142 N -5.20 1.68 -2.77 3.56 6.02 -1.26 -4.91 117.38 114.50 3hdu n GLN 142 Ca 0.23 -0.84 -0.20 0.00 -0.01 0.00 0.00 57.00 56.17 3hdu n GLN 142 Cb 0.71 -1.31 0.02 0.00 1.02 0.00 0.00 30.24 30.68 3hdu n GLN 142 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3hdu n ASP 143 N 0.17 -5.73 -4.72 1.08 2.03 -0.96 -5.01 116.55 103.41 3hdu n ASP 143 Ca 0.08 -0.19 -0.35 0.00 0.52 0.00 0.00 54.79 54.85 3hdu n ASP 143 Cb 0.28 -4.62 -0.08 0.00 -0.72 0.00 0.00 41.12 35.97 3hdu n ASP 143 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3hdu s GLU 144 N -5.40 4.00 -0.29 -0.67 2.02 -1.26 -4.90 118.70 112.19 3hdu s GLU 144 Ca 0.19 -0.25 -0.29 0.00 0.02 0.00 0.00 54.97 54.64 3hdu s GLU 144 Cb -0.08 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 3hdu s GLU 144 CO 0.24 0.36 1.61 -1.17 0.02 0.00 0.00 175.26 176.32 3hdu s LEU 145 N 0.15 3.73 -0.11 1.80 2.96 -1.26 -2.56 118.68 123.39 3hdu s LEU 145 Ca 0.07 1.37 0.16 0.00 -0.22 0.00 0.00 54.13 55.52 3hdu s LEU 145 Cb -0.12 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.81 3hdu s LEU 145 CO -0.01 -1.40 0.19 2.30 -1.32 0.00 0.00 176.35 176.11 3hdu n ILE 146 N 6.80 0.71 -3.58 6.68 -5.35 -0.60 -4.74 119.36 119.28 3hdu n ILE 146 Ca 0.19 -0.60 -0.16 0.00 -0.27 0.00 0.00 62.75 61.92 3hdu n ILE 146 Cb 0.46 -0.31 -0.06 0.00 -1.74 0.00 0.00 39.64 37.99 3hdu n ILE 146 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hdu s ALA 147 N -2.73 -1.45 0.05 -1.28 0.00 -1.02 -0.59 121.76 114.73 3hdu s ALA 147 Ca -0.08 0.89 0.06 0.00 0.00 0.00 0.00 51.96 52.83 3hdu s ALA 147 Cb 0.07 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 3hdu s ALA 147 CO 0.71 -0.41 -0.17 0.14 0.00 0.00 0.00 175.76 176.03 3hdu s VAL 148 N -1.69 1.37 0.03 0.00 -7.23 -0.33 -0.70 120.40 111.84 3hdu s VAL 148 Ca -0.09 -1.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 3hdu s VAL 148 Cb -0.01 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.68 3hdu s VAL 148 CO 0.05 0.06 -0.06 -0.83 -0.31 0.00 0.00 175.10 174.00 3hdu s GLY 149 N -1.26 0.40 -0.18 2.32 0.00 -0.56 -0.95 107.32 107.09 3hdu s GLY 149 Ca 0.04 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.12 3hdu s GLY 149 CO 0.02 -0.70 -0.17 -0.56 0.00 0.00 0.00 173.10 171.69 3hdu s SER 150 N -1.38 3.11 -0.04 1.64 0.01 0.26 -0.10 113.70 117.20 3hdu s SER 150 Ca -0.10 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 56.52 3hdu s SER 150 Cb -0.09 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.76 3hdu s SER 150 CO -0.00 -0.04 -0.13 -0.69 0.41 0.00 0.00 173.24 172.80 3hdu s VAL 151 N 1.34 1.09 -0.18 3.43 1.01 0.05 -0.97 120.40 126.16 3hdu s VAL 151 Ca 0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 3hdu s VAL 151 Cb -0.14 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3hdu s VAL 151 CO -0.11 0.33 -0.06 -0.44 0.00 0.00 0.00 175.10 174.81 3hdu s SER 152 N 0.25 4.38 -0.00 3.32 0.01 -0.14 -0.35 113.70 121.16 3hdu s SER 152 Ca -0.06 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 56.93 3hdu s SER 152 Cb -0.11 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.36 3hdu s SER 152 CO 0.02 0.07 -0.08 -0.31 0.41 0.00 0.00 173.24 173.34 3hdu s TYR 153 N 0.93 2.84 0.12 2.43 1.51 -0.18 -3.01 117.35 122.00 3hdu s TYR 153 Ca -0.01 -0.06 0.05 0.00 -1.01 0.00 0.00 57.07 56.04 3hdu s TYR 153 Cb -0.15 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 3hdu s TYR 153 CO 0.01 0.34 -0.13 0.96 -1.11 0.00 0.00 175.55 175.62 3hdu s ILE 154 N -0.95 1.24 -0.38 2.71 -4.36 -0.31 -0.84 121.20 118.31 3hdu s ILE 154 Ca 0.16 -1.77 -0.22 0.00 -0.26 0.00 0.00 60.65 58.56 3hdu s ILE 154 Cb -0.11 -1.56 0.01 0.00 1.25 0.00 0.00 42.46 42.05 3hdu s ILE 154 CO 0.06 -0.50 0.70 -0.76 0.24 0.00 0.00 174.94 174.68 3hdu s LEU 155 N -2.59 4.25 0.00 0.37 1.43 -1.17 -1.25 118.68 119.72 3hdu s LEU 155 Ca 0.10 0.10 0.31 0.00 -1.03 0.00 0.00 54.13 53.61 3hdu s LEU 155 Cb -0.03 -2.87 1.66 0.00 0.03 0.00 0.00 46.19 44.98 3hdu s LEU 155 CO 0.02 -0.71 2.09 0.55 0.23 0.00 0.00 176.35 178.54