#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ye5 s LEU 3 N 0.00 4.44 0.77 2.45 1.43 -1.26 -5.04 118.68 121.47 1ye5 s LEU 3 Ca 0.00 2.48 -0.12 0.00 -1.03 0.00 0.00 54.13 55.46 1ye5 s LEU 3 Cb 0.00 -3.70 0.05 0.00 0.03 0.00 0.00 46.19 42.57 1ye5 s LEU 3 CO 0.00 -0.41 1.14 -2.84 0.23 0.00 0.00 176.35 174.47 1ye5 s PRO 4 N -1.74 2.34 0.09 1.29 0.02 -1.26 -5.01 135.00 130.73 1ye5 s PRO 4 Ca 0.48 0.30 -0.14 0.00 0.02 0.00 0.00 61.00 61.66 1ye5 s PRO 4 Cb -0.35 -1.98 -0.13 0.00 0.02 0.00 0.00 34.50 32.06 1ye5 s PRO 4 CO 0.46 -1.37 1.34 -1.35 -0.33 0.00 0.00 177.00 175.76 1ye5 h PRO 5 N -0.89 0.73 -5.38 5.54 0.11 -1.94 -3.44 132.00 126.73 1ye5 h PRO 5 Ca -0.46 -0.50 -0.60 0.00 0.11 0.00 0.00 66.00 64.55 1ye5 h PRO 5 Cb 1.29 0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.36 1ye5 h PRO 5 CO 0.65 1.12 -0.36 -0.51 -0.21 0.00 0.00 178.00 178.69 1ye5 s ASP 6 N -6.82 6.34 0.14 -2.05 1.01 -1.26 -0.44 116.67 113.60 1ye5 s ASP 6 Ca -0.12 0.40 -0.01 0.00 0.71 0.00 0.00 52.55 53.53 1ye5 s ASP 6 Cb 0.08 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 1ye5 s ASP 6 CO 0.86 0.08 0.07 0.27 0.21 0.00 0.00 175.17 176.66 1ye5 s ILE 7 N 0.69 0.09 0.25 0.77 -4.36 -0.28 -2.05 121.20 116.31 1ye5 s ILE 7 Ca 0.14 -1.91 -0.14 0.00 -0.26 0.00 0.00 60.65 58.49 1ye5 s ILE 7 Cb -0.13 -2.10 -0.00 0.00 1.25 0.00 0.00 42.46 41.48 1ye5 s ILE 7 CO 0.04 -0.40 0.50 0.28 0.24 0.00 0.00 174.94 175.59 1ye5 s THR 8 N -4.06 0.00 0.03 8.37 -1.32 -0.11 -1.01 115.64 117.54 1ye5 s THR 8 Ca 0.26 -1.36 -0.01 0.00 -1.21 0.00 0.00 61.69 59.37 1ye5 s THR 8 Cb 0.07 -2.17 -0.03 0.00 -1.51 0.00 0.00 72.50 68.87 1ye5 s THR 8 CO 0.03 -0.01 -0.02 -0.36 -2.21 0.00 0.00 174.62 172.05 1ye5 s PHE 9 N -4.01 0.37 0.60 9.09 0.08 -1.26 -0.45 117.98 122.40 1ye5 s PHE 9 Ca 0.21 -0.77 -0.04 0.00 0.12 0.00 0.00 56.93 56.46 1ye5 s PHE 9 Cb -0.01 -0.28 0.03 0.00 -0.57 0.00 0.00 43.02 42.19 1ye5 s PHE 9 CO 0.08 -0.28 0.88 0.16 -0.10 0.00 0.00 175.22 175.96 1ye5 s ASP 10 N -2.13 5.31 0.24 1.36 1.47 -1.21 -4.82 116.67 116.88 1ye5 s ASP 10 Ca -0.05 0.41 -0.05 0.00 1.18 0.00 0.00 52.55 54.04 1ye5 s ASP 10 Cb -0.02 -1.31 0.43 0.00 -0.34 0.00 0.00 42.92 41.68 1ye5 s ASP 10 CO -0.05 -1.20 1.75 0.77 0.68 0.00 0.00 175.17 177.11 1ye5 h SER 11 N -0.18 0.36 -0.37 2.11 4.64 -1.95 -0.75 113.55 117.41 1ye5 h SER 11 Ca -0.44 0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1ye5 h SER 11 Cb 1.28 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 1ye5 h SER 11 CO 0.58 0.16 0.18 -0.07 -0.87 0.00 0.00 176.83 176.81 1ye5 h LEU 12 N 0.51 0.25 -0.51 5.97 3.38 -1.94 -0.56 115.31 122.41 1ye5 h LEU 12 Ca 0.40 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.30 1ye5 h LEU 12 Cb 0.55 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1ye5 h LEU 12 CO -0.36 0.19 -0.04 0.00 0.09 0.00 0.00 178.44 178.32 1ye5 h ALA 13 N 1.20 0.69 -0.61 1.53 0.00 -1.73 -2.89 119.26 117.45 1ye5 h ALA 13 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ye5 h ALA 13 Cb 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1ye5 h ALA 13 CO -0.12 0.54 0.33 1.25 0.00 0.00 0.00 179.25 181.25 1ye5 h LEU 14 N 0.78 0.74 -0.71 0.00 5.85 -0.80 -1.02 115.31 120.16 1ye5 h LEU 14 Ca 0.14 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1ye5 h LEU 14 Cb 0.58 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1ye5 h LEU 14 CO 0.03 0.60 0.41 0.40 -0.34 0.00 0.00 178.44 179.55 1ye5 h ILE 15 N 0.84 1.21 -0.40 4.05 2.04 -0.91 -2.62 117.51 121.73 1ye5 h ILE 15 Ca 0.22 -0.50 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1ye5 h ILE 15 Cb 0.03 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1ye5 h ILE 15 CO -0.04 0.23 -0.11 0.11 0.00 0.00 0.00 178.15 178.34 1ye5 h LYS 16 N 0.98 0.78 -0.46 2.37 1.57 -1.23 -2.54 116.57 118.03 1ye5 h LYS 16 Ca 0.25 -0.30 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1ye5 h LYS 16 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1ye5 h LYS 16 CO -0.04 0.92 0.43 0.52 -0.57 0.00 0.00 179.45 180.70 1ye5 h MET 17 N 0.59 0.00 -0.61 3.15 2.86 -0.89 0.31 114.93 120.34 1ye5 h MET 17 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1ye5 h MET 17 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1ye5 h MET 17 CO 0.04 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.73 1ye5 n HIS 18 N -3.91 0.93 -2.06 -0.22 8.25 -0.96 -4.58 115.22 112.67 1ye5 n HIS 18 Ca 0.08 -0.43 -0.36 0.00 -0.26 0.00 0.00 57.72 56.75 1ye5 n HIS 18 Cb 0.62 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.70 1ye5 n HIS 18 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ye5 s SER 19 N -0.95 5.39 0.54 0.41 0.01 0.11 -4.88 113.70 114.33 1ye5 s SER 19 Ca 0.41 2.37 0.20 0.00 1.31 0.00 0.00 55.95 60.24 1ye5 s SER 19 Cb 0.23 -2.60 1.42 0.00 0.21 0.00 0.00 66.02 65.28 1ye5 s SER 19 CO 0.25 -1.46 2.16 1.56 0.41 0.00 0.00 173.24 176.16 1ye5 h GLN 20 N 1.10 0.00 -0.32 12.44 1.08 -1.92 -0.24 115.11 127.25 1ye5 h GLN 20 Ca -0.50 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1ye5 h GLN 20 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1ye5 h GLN 20 CO 0.56 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 178.53 1ye5 n ASN 21 N -4.34 0.88 0.00 1.46 3.02 -1.26 -3.32 115.26 111.69 1ye5 n ASN 21 Ca -0.02 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 1ye5 n ASN 21 Cb 0.14 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1ye5 n ASN 21 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ye5 n MET 22 N -0.11 0.64 -0.30 3.52 2.81 -0.11 -4.85 117.12 118.73 1ye5 n MET 22 Ca 0.04 -0.69 0.11 0.00 -1.81 0.00 0.00 57.70 55.35 1ye5 n MET 22 Cb 0.17 -0.77 0.25 0.00 -0.71 0.00 0.00 33.22 32.16 1ye5 n MET 22 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1ye5 h LYS 23 N 0.00 0.12 0.04 0.03 1.57 -1.55 0.13 116.57 116.91 1ye5 h LYS 23 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ye5 h LYS 23 Cb 0.50 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1ye5 h LYS 23 CO 0.00 0.08 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.85 1ye5 h ARG 24 N 0.12 -0.05 -0.82 3.15 9.65 -1.88 -0.51 114.38 124.04 1ye5 h ARG 24 Ca 0.52 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.42 1ye5 h ARG 24 Cb 1.04 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.59 1ye5 h ARG 24 CO -0.73 0.24 0.54 0.82 2.80 0.00 0.00 179.97 183.64 1ye5 h ILE 25 N -0.35 1.19 -0.23 1.20 2.04 -1.60 -1.72 117.51 118.04 1ye5 h ILE 25 Ca -0.01 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 1ye5 h ILE 25 Cb 0.32 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1ye5 h ILE 25 CO 0.01 0.20 -0.14 0.25 0.00 0.00 0.00 178.15 178.47 1ye5 h LEU 26 N 1.08 0.51 -0.60 1.44 5.85 -0.70 -1.64 115.31 121.25 1ye5 h LEU 26 Ca 0.31 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1ye5 h LEU 26 Cb -0.09 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1ye5 h LEU 26 CO -0.07 0.83 0.33 -0.08 -0.34 0.00 0.00 178.44 179.11 1ye5 h GLU 27 N 0.20 0.62 -0.34 1.25 4.57 -0.58 -1.43 114.58 118.87 1ye5 h GLU 27 Ca 0.05 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1ye5 h GLU 27 Cb 0.65 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1ye5 h GLU 27 CO 0.04 0.41 -0.05 0.28 -1.18 0.00 0.00 179.01 178.51 1ye5 h VAL 28 N 0.63 1.27 -0.11 0.32 2.07 -1.30 -2.27 116.25 116.87 1ye5 h VAL 28 Ca 0.26 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.75 1ye5 h VAL 28 Cb 0.13 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1ye5 h VAL 28 CO -0.16 0.35 -0.22 0.74 0.02 0.00 0.00 177.57 178.31 1ye5 h THR 29 N 0.42 0.47 0.00 2.57 2.02 -0.88 0.18 112.91 117.69 1ye5 h THR 29 Ca 0.09 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1ye5 h THR 29 Cb 0.53 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1ye5 h THR 29 CO 0.03 0.00 -0.11 -0.07 0.37 0.00 0.00 175.52 175.74 1ye5 h LEU 30 N -0.29 0.00 0.00 2.58 3.38 -1.27 0.12 115.31 119.83 1ye5 h LEU 30 Ca 0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 1ye5 h LEU 30 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1ye5 h LEU 30 CO -0.28 0.11 -0.92 0.00 0.09 0.00 0.00 178.44 177.44 1ye5 h ALA 31 N 1.89 0.52 0.00 1.53 0.00 -0.54 -3.38 119.26 119.27 1ye5 h ALA 31 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1ye5 h ALA 31 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ye5 h ALA 31 CO 0.01 1.05 -0.70 1.63 0.00 0.00 0.00 179.25 181.24 1ye5 n LYS 32 N -3.25 3.00 -4.29 0.00 4.76 0.50 -5.06 118.16 113.83 1ye5 n LYS 32 Ca -0.01 -0.02 -0.16 0.00 -2.87 0.00 0.00 58.31 55.24 1ye5 n LYS 32 Cb 0.87 -1.00 -0.10 0.00 -1.84 0.00 0.00 35.03 32.96 1ye5 n LYS 32 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ye5 s PHE 33 N -2.06 1.46 -0.32 2.13 0.08 0.36 -4.94 117.98 114.69 1ye5 s PHE 33 Ca 0.01 -0.66 -0.13 0.00 0.12 0.00 0.00 56.93 56.28 1ye5 s PHE 33 Cb 0.07 -0.72 -0.03 0.00 -0.57 0.00 0.00 43.02 41.77 1ye5 s PHE 33 CO 0.37 0.20 0.24 0.99 -0.10 0.00 0.00 175.22 176.93 1ye5 s THR 34 N -3.05 5.28 -0.34 0.64 2.01 0.42 -4.66 115.64 115.94 1ye5 s THR 34 Ca 0.18 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 1ye5 s THR 34 Cb 0.00 -3.68 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 1ye5 s THR 34 CO 0.03 0.05 0.20 -0.69 -0.69 0.00 0.00 174.62 173.52 1ye5 s VAL 35 N 1.76 4.83 -0.35 3.82 1.01 -1.26 -1.12 120.40 129.09 1ye5 s VAL 35 Ca 0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1ye5 s VAL 35 Cb -0.17 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1ye5 s VAL 35 CO 0.11 -0.04 0.16 0.20 0.00 0.00 0.00 175.10 175.53 1ye5 s ASN 36 N 1.64 5.54 -0.13 3.32 -0.87 -0.18 -2.63 114.94 121.63 1ye5 s ASN 36 Ca 0.05 -0.95 -0.05 0.00 -1.57 0.00 0.00 52.86 50.33 1ye5 s ASN 36 Cb -0.18 -1.97 -0.04 0.00 -0.02 0.00 0.00 41.25 39.05 1ye5 s ASN 36 CO 0.08 -0.33 0.05 -0.76 -2.57 0.00 0.00 177.10 173.57 1ye5 s LEU 37 N 1.51 3.83 0.44 0.60 1.43 0.15 -4.53 118.68 122.11 1ye5 s LEU 37 Ca 0.01 0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.06 1ye5 s LEU 37 Cb -0.19 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.03 1ye5 s LEU 37 CO 0.05 0.31 1.16 -0.55 0.23 0.00 0.00 176.35 177.55 1ye5 s SER 38 N -0.45 6.33 0.55 2.29 0.15 -1.26 -0.60 113.70 120.71 1ye5 s SER 38 Ca 0.09 2.30 0.23 0.00 0.70 0.00 0.00 55.95 59.27 1ye5 s SER 38 Cb -0.12 -2.60 1.50 0.00 -1.71 0.00 0.00 66.02 63.09 1ye5 s SER 38 CO 0.02 -0.81 2.17 -0.29 1.20 0.00 0.00 173.24 175.53 1ye5 h ILE 39 N 2.04 0.77 -0.41 6.45 6.09 -1.33 -0.30 117.51 130.81 1ye5 h ILE 39 Ca -0.49 0.00 -0.10 0.00 -1.37 0.00 0.00 64.86 62.90 1ye5 h ILE 39 Cb 1.24 0.97 -0.01 0.00 0.47 0.00 0.00 36.82 39.48 1ye5 h ILE 39 CO 0.61 0.00 -0.13 0.58 -3.07 0.00 0.00 178.15 176.14 1ye5 h VAL 40 N 0.00 1.28 -0.91 2.19 2.07 -1.90 -2.46 116.25 116.52 1ye5 h VAL 40 Ca 0.03 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1ye5 h VAL 40 Cb 0.12 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1ye5 h VAL 40 CO -0.00 0.42 0.50 0.74 0.02 0.00 0.00 177.57 179.25 1ye5 h THR 41 N 0.64 1.26 -0.04 2.57 2.02 -1.43 -2.36 112.91 115.57 1ye5 h THR 41 Ca 0.10 -0.64 -0.15 0.00 0.77 0.00 0.00 66.41 66.49 1ye5 h THR 41 Cb 0.67 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1ye5 h THR 41 CO 0.05 0.29 -0.66 -0.37 0.37 0.00 0.00 175.52 175.20 1ye5 h VAL 42 N 1.27 1.42 -0.38 3.16 -1.51 -1.29 -1.69 116.25 117.23 1ye5 h VAL 42 Ca 0.32 -2.13 -0.14 0.00 -1.23 0.00 0.00 66.70 63.53 1ye5 h VAL 42 Cb 0.02 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1ye5 h VAL 42 CO -0.05 0.62 -0.31 0.22 -1.23 0.00 0.00 177.57 176.82 1ye5 h TYR 43 N 0.13 0.96 -0.26 5.19 5.03 -1.24 0.14 116.97 126.93 1ye5 h TYR 43 Ca -0.01 -0.25 -0.12 0.00 2.58 0.00 0.00 58.73 60.92 1ye5 h TYR 43 Cb 1.18 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 39.23 1ye5 h TYR 43 CO 0.02 1.02 -0.36 0.00 -1.32 0.00 0.00 178.16 177.53 1ye5 h ARG 44 N 0.69 0.57 -0.22 1.82 2.47 -1.37 -0.43 114.38 117.91 1ye5 h ARG 44 Ca 0.08 -0.27 -0.02 0.00 -1.26 0.00 0.00 59.98 58.51 1ye5 h ARG 44 Cb 0.86 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.16 1ye5 h ARG 44 CO 0.08 0.84 0.05 -0.92 0.56 0.00 0.00 179.97 180.57 1ye5 h TYR 45 N 0.48 0.38 -0.35 3.04 3.20 -1.03 -0.68 116.97 122.00 1ye5 h TYR 45 Ca 0.05 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1ye5 h TYR 45 Cb 0.84 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1ye5 h TYR 45 CO 0.03 0.47 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.88 1ye5 h LEU 46 N 0.17 0.56 -0.01 2.82 3.38 -0.82 -2.22 115.31 119.19 1ye5 h LEU 46 Ca 0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ye5 h LEU 46 Cb 0.29 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ye5 h LEU 46 CO 0.00 0.69 0.00 0.74 0.09 0.00 0.00 178.44 179.96 1ye5 h THR 47 N 0.55 1.20 0.00 0.22 2.02 -0.84 -2.62 112.91 113.44 1ye5 h THR 47 Ca 0.10 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1ye5 h THR 47 Cb 0.47 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1ye5 h THR 47 CO 0.03 0.16 -0.01 0.00 0.37 0.00 0.00 175.52 176.06 1ye5 h ALA 48 N 0.76 1.03 -0.42 6.16 0.00 -0.93 -2.93 119.26 122.92 1ye5 h ALA 48 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ye5 h ALA 48 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ye5 h ALA 48 CO 0.00 0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.81 1ye5 n ARG 49 N -3.14 2.67 0.27 0.00 1.74 -0.85 -4.54 116.66 112.81 1ye5 n ARG 49 Ca -0.01 -2.16 0.13 0.00 -0.77 0.00 0.00 57.85 55.04 1ye5 n ARG 49 Cb 0.21 -1.35 0.82 0.00 -1.02 0.00 0.00 32.46 31.12 1ye5 n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ye5 h ALA 50 N 2.73 1.73 0.00 7.54 0.00 -1.27 0.26 119.26 130.25 1ye5 h ALA 50 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ye5 h ALA 50 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ye5 h ALA 50 CO 0.00 -0.05 -0.28 0.10 0.00 0.00 0.00 179.25 179.02 1ye5 h TYR 51 N 0.00 0.00 0.03 0.00 -0.00 -1.83 -3.11 116.97 112.07 1ye5 h TYR 51 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 58.73 58.36 1ye5 h TYR 51 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.75 1ye5 h TYR 51 CO 0.00 0.28 -2.30 -0.11 -0.00 0.00 0.00 178.16 176.03 1ye5 n LEU 52 N -3.78 2.70 -3.77 0.10 7.94 -0.01 -4.82 117.00 115.36 1ye5 n LEU 52 Ca -0.01 0.04 -0.30 0.00 -1.11 0.00 0.00 56.01 54.63 1ye5 n LEU 52 Cb 0.38 -0.96 -0.14 0.00 0.53 0.00 0.00 43.42 43.24 1ye5 n LEU 52 CO 0.35 0.84 -0.25 -0.54 -1.11 0.00 0.00 177.39 176.68 1ye5 s LYS 53 N -2.52 1.34 0.52 1.96 -0.14 0.72 -4.99 119.74 116.64 1ye5 s LYS 53 Ca -0.32 -1.98 0.28 0.00 -1.36 0.00 0.00 55.97 52.59 1ye5 s LYS 53 Cb 0.09 -2.52 1.43 0.00 -1.68 0.00 0.00 37.83 35.15 1ye5 s LYS 53 CO 0.63 -1.12 2.05 1.57 -0.76 0.00 0.00 175.35 177.73 1ye5 h LYS 54 N 6.92 0.00 -4.90 1.68 2.10 -1.79 -3.38 116.57 117.21 1ye5 h LYS 54 Ca -0.04 0.00 -0.70 0.00 -2.00 0.00 0.00 60.65 57.91 1ye5 h LYS 54 Cb 0.94 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.18 1ye5 h LYS 54 CO 0.52 0.12 2.38 -1.71 -2.00 0.00 0.00 179.45 178.76 1ye5 n ASN 55 N -3.56 4.65 -0.24 7.07 2.85 -1.26 -4.80 115.26 119.98 1ye5 n ASN 55 Ca -0.01 -2.92 0.04 0.00 -0.11 0.00 0.00 54.58 51.58 1ye5 n ASN 55 Cb 0.26 -1.67 0.16 0.00 1.24 0.00 0.00 39.78 39.77 1ye5 n ASN 55 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1ye5 h ILE 56 N 4.77 0.58 -0.04 -1.44 1.08 -1.95 -0.79 117.51 119.72 1ye5 h ILE 56 Ca 0.47 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.85 1ye5 h ILE 56 Cb 0.77 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 1ye5 h ILE 56 CO 1.59 0.06 -0.10 -0.08 -0.69 0.00 0.00 178.15 178.92 1ye5 h GLU 57 N 0.31 -0.15 -0.72 2.37 4.81 -1.96 0.17 114.58 119.41 1ye5 h GLU 57 Ca 0.39 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.59 1ye5 h GLU 57 Cb 0.63 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 1ye5 h GLU 57 CO -0.45 -0.10 0.31 0.00 -0.73 0.00 0.00 179.01 178.03 1ye5 h ALA 58 N 0.86 0.93 -0.61 2.92 0.00 -1.81 -2.33 119.26 119.21 1ye5 h ALA 58 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1ye5 h ALA 58 Cb 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1ye5 h ALA 58 CO -0.13 0.54 0.24 0.93 0.00 0.00 0.00 179.25 180.82 1ye5 h GLU 59 N 1.02 0.90 -0.25 0.00 4.39 -0.75 -1.86 114.58 118.03 1ye5 h GLU 59 Ca 0.24 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1ye5 h GLU 59 Cb 0.18 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1ye5 h GLU 59 CO -0.02 0.74 0.09 0.35 -1.16 0.00 0.00 179.01 179.00 1ye5 h PHE 60 N 0.88 0.39 -0.97 4.33 3.57 -0.26 -2.06 116.94 122.83 1ye5 h PHE 60 Ca 0.21 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.72 1ye5 h PHE 60 Cb 0.18 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 1ye5 h PHE 60 CO 0.01 0.43 0.63 0.93 -2.23 0.00 0.00 178.31 178.08 1ye5 h GLU 61 N 0.24 1.14 -0.42 1.11 4.39 -1.09 0.10 114.58 120.06 1ye5 h GLU 61 Ca 0.08 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1ye5 h GLU 61 Cb 0.21 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1ye5 h GLU 61 CO -0.00 0.75 0.21 0.82 -1.16 0.00 0.00 179.01 179.62 1ye5 h ILE 62 N 1.17 1.17 -0.29 3.13 2.04 -1.09 -2.37 117.51 121.26 1ye5 h ILE 62 Ca 0.40 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1ye5 h ILE 62 Cb 0.10 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1ye5 h ILE 62 CO -0.14 0.19 0.09 -0.07 0.00 0.00 0.00 178.15 178.21 1ye5 h LEU 63 N 0.53 0.43 -1.86 1.44 3.38 -0.61 -2.54 115.31 116.08 1ye5 h LEU 63 Ca 0.14 -0.21 0.14 0.00 0.09 0.00 0.00 57.88 58.05 1ye5 h LEU 63 Cb 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1ye5 h LEU 63 CO -0.02 0.53 0.41 0.50 0.09 0.00 0.00 178.44 179.94 1ye5 h LYS 64 N 0.31 0.14 0.00 1.13 3.64 -0.64 0.24 116.57 121.39 1ye5 h LYS 64 Ca 0.09 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 1ye5 h LYS 64 Cb 0.25 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1ye5 h LYS 64 CO -0.00 0.09 -0.93 0.22 -2.27 0.00 0.00 179.45 176.56 1ye5 h ASP 65 N 0.15 0.00 0.16 4.20 3.58 -1.12 -3.38 116.42 120.00 1ye5 h ASP 65 Ca 0.28 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.38 1ye5 h ASP 65 Cb 0.91 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 1ye5 h ASP 65 CO -0.04 0.80 -1.85 0.40 -2.88 0.00 0.00 179.24 175.67 1ye5 h ILE 66 N 0.00 0.80 -1.27 2.25 2.04 -0.72 -3.49 117.51 117.12 1ye5 h ILE 66 Ca -0.05 -2.42 -0.58 0.00 1.00 0.00 0.00 64.86 62.81 1ye5 h ILE 66 Cb 1.65 2.64 -0.08 0.00 -0.74 0.00 0.00 36.82 40.29 1ye5 h ILE 66 CO 0.10 0.87 -0.46 -0.31 0.00 0.00 0.00 178.15 178.34 1ye5 s TYR 67 N -2.56 2.35 -0.32 1.37 2.02 -0.09 -4.99 117.35 115.14 1ye5 s TYR 67 Ca -0.19 -0.67 -0.16 0.00 -0.37 0.00 0.00 57.07 55.67 1ye5 s TYR 67 Cb 0.06 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 1ye5 s TYR 67 CO 0.81 0.07 0.42 -0.80 -1.57 0.00 0.00 175.55 174.47 1ye5 s ASN 68 N -3.97 6.25 -0.34 2.29 0.01 -1.08 -4.71 114.94 113.39 1ye5 s ASN 68 Ca 0.36 0.02 -0.12 0.00 -0.71 0.00 0.00 52.86 52.40 1ye5 s ASN 68 Cb 0.02 -2.23 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 1ye5 s ASN 68 CO 0.20 -0.33 0.22 -0.63 -1.51 0.00 0.00 177.10 175.05 1ye5 s ILE 69 N 2.16 5.04 -0.18 0.60 1.01 -1.26 -0.67 121.20 127.89 1ye5 s ILE 69 Ca 0.15 -0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.26 1ye5 s ILE 69 Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1ye5 s ILE 69 CO 0.12 -0.04 0.43 -0.69 0.00 0.00 0.00 174.94 174.75 1ye5 s VAL 70 N 1.67 5.18 0.99 2.92 1.01 0.23 -4.88 120.40 127.52 1ye5 s VAL 70 Ca 0.05 0.79 -0.12 0.00 0.00 0.00 0.00 61.98 62.70 1ye5 s VAL 70 Cb -0.18 -3.76 0.18 0.00 0.00 0.00 0.00 36.38 32.62 1ye5 s VAL 70 CO 0.09 0.26 1.09 -2.84 0.00 0.00 0.00 175.10 173.70 1ye5 s PRO 71 N 1.20 0.50 -1.29 2.72 0.02 -1.26 -0.91 135.00 135.97 1ye5 s PRO 71 Ca 0.21 0.61 -0.13 0.00 0.02 0.00 0.00 61.00 61.71 1ye5 s PRO 71 Cb -0.15 -1.74 0.13 0.00 0.02 0.00 0.00 34.50 32.76 1ye5 s PRO 71 CO 0.08 -2.71 1.77 -0.11 -0.33 0.00 0.00 177.00 175.70 1ye5 n LEU 72 N -4.17 5.90 -4.60 -5.54 0.00 -1.26 -4.79 117.00 102.53 1ye5 n LEU 72 Ca 0.05 -4.36 -0.32 0.00 0.00 0.00 0.00 56.01 51.38 1ye5 n LEU 72 Cb 0.57 -1.61 0.14 0.00 0.00 0.00 0.00 43.42 42.52 1ye5 n LEU 72 CO 0.57 0.89 0.48 0.18 0.00 0.00 0.00 177.39 179.51 1ye5 n LEU 73 N 5.68 2.62 -0.30 -1.96 4.77 -1.26 -4.68 117.00 121.86 1ye5 n LEU 73 Ca 0.43 0.46 0.01 0.00 -0.03 0.00 0.00 56.01 56.87 1ye5 n LEU 73 Cb 0.41 -1.41 0.14 0.00 -2.33 0.00 0.00 43.42 40.23 1ye5 n LEU 73 CO 0.76 -2.45 1.18 0.44 -1.33 0.00 0.00 177.39 175.99 1ye5 h ASP 74 N -1.45 0.79 0.00 -1.43 3.32 -1.99 0.11 116.42 115.78 1ye5 h ASP 74 Ca -0.44 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 1ye5 h ASP 74 Cb 1.29 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1ye5 h ASP 74 CO 0.41 0.50 -0.16 0.44 -1.72 0.00 0.00 179.24 178.70 1ye5 h ASP 75 N 0.92 0.30 -0.18 6.45 3.32 -1.99 0.49 116.42 125.72 1ye5 h ASP 75 Ca 0.37 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 57.16 1ye5 h ASP 75 Cb 0.21 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1ye5 h ASP 75 CO -0.19 0.49 -0.61 0.40 -1.72 0.00 0.00 179.24 177.61 1ye5 h ILE 76 N 0.29 1.29 -0.10 0.35 2.04 -1.50 -1.27 117.51 118.60 1ye5 h ILE 76 Ca 0.05 -1.81 -0.00 0.00 1.00 0.00 0.00 64.86 64.10 1ye5 h ILE 76 Cb 0.47 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1ye5 h ILE 76 CO 0.03 0.58 0.05 0.00 0.00 0.00 0.00 178.15 178.81 1ye5 h ALA 77 N 0.71 0.13 0.28 1.87 0.00 -0.18 0.11 119.26 122.18 1ye5 h ALA 77 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ye5 h ALA 77 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ye5 h ALA 77 CO 0.13 -0.33 -0.18 0.82 0.00 0.00 0.00 179.25 179.69 1ye5 h ILE 78 N 0.06 0.63 -0.44 0.00 2.04 -0.89 -1.88 117.51 117.02 1ye5 h ILE 78 Ca 0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 1ye5 h ILE 78 Cb 0.08 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1ye5 h ILE 78 CO -0.01 0.00 0.01 0.50 0.00 0.00 0.00 178.15 178.65 1ye5 h LYS 79 N -0.44 0.72 -0.44 2.37 3.64 -1.17 -2.32 116.57 118.92 1ye5 h LYS 79 Ca -0.03 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1ye5 h LYS 79 Cb 0.37 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1ye5 h LYS 79 CO 0.02 0.72 0.12 0.00 -2.27 0.00 0.00 179.45 178.04 1ye5 h ALA 80 N 1.34 1.38 -0.27 5.00 0.00 -0.60 -1.23 119.26 124.88 1ye5 h ALA 80 Ca 0.14 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1ye5 h ALA 80 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ye5 h ALA 80 CO 0.01 0.45 -0.05 0.00 0.00 0.00 0.00 179.25 179.67 1ye5 h ALA 81 N 1.49 0.36 -0.40 0.00 0.00 -0.82 -0.70 119.26 119.19 1ye5 h ALA 81 Ca 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ye5 h ALA 81 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ye5 h ALA 81 CO -0.00 0.16 0.21 1.96 0.00 0.00 0.00 179.25 181.57 1ye5 h GLN 82 N 0.26 0.57 -0.06 0.00 4.20 -1.12 -1.51 115.11 117.46 1ye5 h GLN 82 Ca 0.07 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ye5 h GLN 82 Cb 0.51 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1ye5 h GLN 82 CO 0.02 0.49 0.02 0.82 -0.67 0.00 0.00 178.83 179.51 1ye5 h ILE 83 N 0.52 1.13 -0.92 2.54 2.04 -1.19 -2.37 117.51 119.26 1ye5 h ILE 83 Ca 0.14 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1ye5 h ILE 83 Cb 0.09 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1ye5 h ILE 83 CO -0.02 0.11 0.61 -0.08 0.00 0.00 0.00 178.15 178.77 1ye5 h GLU 84 N -0.07 1.19 -0.25 2.37 4.81 -1.02 -1.38 114.58 120.24 1ye5 h GLU 84 Ca 0.02 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1ye5 h GLU 84 Cb 0.16 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1ye5 h GLU 84 CO -0.00 0.79 -0.06 0.00 -0.73 0.00 0.00 179.01 179.01 1ye5 h ALA 85 N 1.35 1.44 -0.19 2.92 0.00 -1.17 0.24 119.26 123.85 1ye5 h ALA 85 Ca 0.35 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1ye5 h ALA 85 Cb -0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ye5 h ALA 85 CO -0.09 0.39 -0.58 -0.97 0.00 0.00 0.00 179.25 178.00 1ye5 h ASN 86 N 0.37 0.68 -0.15 0.00 -0.73 -0.81 -2.44 115.58 112.50 1ye5 h ASN 86 Ca 0.08 -0.38 -0.22 0.00 1.87 0.00 0.00 56.30 57.65 1ye5 h ASN 86 Cb 0.34 -0.20 0.01 0.00 0.27 0.00 0.00 38.32 38.75 1ye5 h ASN 86 CO 0.02 1.11 -0.78 -0.07 -0.37 0.00 0.00 177.43 177.34 1ye5 h LEU 87 N 0.46 0.94 -0.76 0.34 3.38 -0.76 -3.17 115.31 115.75 1ye5 h LEU 87 Ca 0.00 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 1ye5 h LEU 87 Cb 1.14 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1ye5 h LEU 87 CO 0.11 1.42 0.41 0.40 0.09 0.00 0.00 178.44 180.88 1ye5 h ILE 88 N 0.52 1.23 -0.75 1.22 2.04 -0.95 0.32 117.51 121.14 1ye5 h ILE 88 Ca -0.06 -0.57 0.16 0.00 1.00 0.00 0.00 64.86 65.40 1ye5 h ILE 88 Cb 1.41 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1ye5 h ILE 88 CO 0.16 0.25 0.51 0.11 0.00 0.00 0.00 178.15 179.18 1ye5 h LYS 89 N 1.04 0.31 -0.47 2.37 1.79 -1.43 0.79 116.57 120.98 1ye5 h LYS 89 Ca 0.27 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1ye5 h LYS 89 Cb 0.03 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1ye5 h LYS 89 CO -0.04 0.20 0.00 1.63 -1.08 0.00 0.00 179.45 180.16 1ye5 n LYS 90 N -4.45 2.12 -3.01 3.15 5.02 -0.56 -4.91 118.16 115.50 1ye5 n LYS 90 Ca 0.15 -1.73 -0.21 0.00 -2.02 0.00 0.00 58.31 54.50 1ye5 n LYS 90 Cb 0.60 -1.38 0.04 0.00 -0.02 0.00 0.00 35.03 34.26 1ye5 n LYS 90 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ye5 n GLU 91 N 0.91 -4.83 -3.77 1.97 1.02 0.27 -4.99 120.64 111.22 1ye5 n GLU 91 Ca 0.16 0.83 -0.36 0.00 -0.02 0.00 0.00 57.16 57.77 1ye5 n GLU 91 Cb 0.41 -5.56 -0.12 0.00 -0.02 0.00 0.00 31.44 26.16 1ye5 n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ye5 s ILE 92 N -3.15 4.52 -0.65 -3.67 1.01 0.10 -4.97 121.20 114.39 1ye5 s ILE 92 Ca 0.31 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.90 1ye5 s ILE 92 Cb -0.14 -3.11 0.16 0.00 0.01 0.00 0.00 42.46 39.38 1ye5 s ILE 92 CO 0.38 0.34 0.43 0.42 0.00 0.00 0.00 174.94 176.51 1ye5 s THR 93 N 1.47 2.79 0.38 2.92 -4.23 -1.26 -3.30 115.64 114.42 1ye5 s THR 93 Ca 0.06 -4.02 -0.19 0.00 -1.18 0.00 0.00 61.69 56.35 1ye5 s THR 93 Cb -0.15 -2.86 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 1ye5 s THR 93 CO 0.05 -0.96 0.87 -0.76 -0.54 0.00 0.00 174.62 173.28 1ye5 s LEU 94 N -1.15 4.02 0.73 4.79 1.43 -1.26 -5.05 118.68 122.20 1ye5 s LEU 94 Ca 0.23 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 1ye5 s LEU 94 Cb -0.10 -4.32 0.03 0.00 0.03 0.00 0.00 46.19 41.83 1ye5 s LEU 94 CO -0.12 -0.28 1.07 1.51 0.23 0.00 0.00 176.35 178.76 1ye5 s ASP 95 N -2.15 5.04 0.19 2.29 1.47 -1.26 -4.83 116.67 117.42 1ye5 s ASP 95 Ca 0.58 1.51 -0.15 0.00 1.18 0.00 0.00 52.55 55.67 1ye5 s ASP 95 Cb -0.10 -2.33 0.19 0.00 -0.34 0.00 0.00 42.92 40.34 1ye5 s ASP 95 CO 0.15 -1.65 1.64 -0.03 0.68 0.00 0.00 175.17 175.97 1ye5 h MET 96 N -0.86 0.01 -0.56 2.11 1.85 -1.99 -1.96 114.93 113.51 1ye5 h MET 96 Ca -0.45 -0.00 0.10 0.00 -0.61 0.00 0.00 59.70 58.74 1ye5 h MET 96 Cb 1.23 -0.00 -0.08 0.00 0.43 0.00 0.00 31.60 33.18 1ye5 h MET 96 CO 0.58 0.01 0.13 1.49 -0.40 0.00 0.00 176.91 178.71 1ye5 h GLU 97 N 0.01 0.26 -0.31 0.39 4.81 -1.99 -0.39 114.58 117.37 1ye5 h GLU 97 Ca 0.27 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1ye5 h GLU 97 Cb 0.41 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1ye5 h GLU 97 CO -0.56 0.17 0.16 -0.44 -0.73 0.00 0.00 179.01 177.62 1ye5 h ASP 98 N 0.27 0.39 -0.27 1.04 3.32 -1.75 0.12 116.42 119.55 1ye5 h ASP 98 Ca 0.29 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.26 1ye5 h ASP 98 Cb 0.41 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1ye5 h ASP 98 CO -0.36 0.37 0.14 0.40 -1.72 0.00 0.00 179.24 178.07 1ye5 h ILE 99 N 0.37 1.01 -0.24 0.35 1.08 -0.85 -0.76 117.51 118.49 1ye5 h ILE 99 Ca 0.11 -0.10 -0.15 0.00 -0.39 0.00 0.00 64.86 64.32 1ye5 h ILE 99 Cb 0.07 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1ye5 h ILE 99 CO -0.02 0.06 -0.48 0.40 -0.69 0.00 0.00 178.15 177.42 1ye5 h ILE 100 N 0.30 1.30 -0.24 -0.67 1.08 -0.94 0.07 117.51 118.41 1ye5 h ILE 100 Ca 0.11 -1.69 -0.01 0.00 -0.39 0.00 0.00 64.86 62.88 1ye5 h ILE 100 Cb 0.01 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1ye5 h ILE 100 CO -0.06 0.54 0.11 0.74 -0.69 0.00 0.00 178.15 178.79 1ye5 h THR 101 N 0.51 1.15 -0.33 -0.27 2.02 -0.56 0.82 112.91 116.24 1ye5 h THR 101 Ca 0.03 -0.42 -0.13 0.00 0.77 0.00 0.00 66.41 66.65 1ye5 h THR 101 Cb 1.03 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1ye5 h THR 101 CO 0.10 0.14 -0.32 0.00 0.37 0.00 0.00 175.52 175.81 1ye5 h ALA 102 N 0.97 0.81 -0.32 6.16 0.00 -1.08 -1.69 119.26 124.11 1ye5 h ALA 102 Ca 0.08 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1ye5 h ALA 102 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ye5 h ALA 102 CO -0.01 0.64 -0.27 1.15 0.00 0.00 0.00 179.25 180.77 1ye5 h THR 103 N 0.61 1.27 -0.24 0.00 2.02 -0.76 -2.17 112.91 113.65 1ye5 h THR 103 Ca 0.07 -1.36 -0.14 0.00 0.77 0.00 0.00 66.41 65.75 1ye5 h THR 103 Cb 0.85 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1ye5 h THR 103 CO 0.07 0.44 -0.43 0.74 0.37 0.00 0.00 175.52 176.72 1ye5 h THR 104 N 0.56 1.30 -0.48 3.16 2.02 -0.66 -2.08 112.91 116.73 1ye5 h THR 104 Ca 0.07 -1.61 0.01 0.00 0.77 0.00 0.00 66.41 65.65 1ye5 h THR 104 Cb 0.75 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1ye5 h THR 104 CO 0.06 0.51 0.32 0.00 0.37 0.00 0.00 175.52 176.78 1ye5 h ALA 105 N 1.06 0.61 -0.37 6.16 0.00 -0.96 0.20 119.26 125.97 1ye5 h ALA 105 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ye5 h ALA 105 Cb 0.94 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1ye5 h ALA 105 CO 0.08 0.06 0.14 0.82 0.00 0.00 0.00 179.25 180.35 1ye5 h ILE 106 N 0.65 1.20 -0.72 0.00 2.04 -1.29 0.20 117.51 119.59 1ye5 h ILE 106 Ca 0.18 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1ye5 h ILE 106 Cb -0.07 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1ye5 h ILE 106 CO -0.04 0.22 0.45 0.22 0.00 0.00 0.00 178.15 179.00 1ye5 h TYR 107 N 0.45 0.85 -0.02 1.37 3.20 -0.89 -2.25 116.97 119.68 1ye5 h TYR 107 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1ye5 h TYR 107 Cb 0.21 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1ye5 h TYR 107 CO 0.00 0.48 -0.01 0.25 -1.64 0.00 0.00 178.16 177.24 1ye5 n THR 108 N -4.65 0.00 -3.65 1.81 -2.24 0.02 -4.95 114.28 100.62 1ye5 n THR 108 Ca 0.08 -0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 1ye5 n THR 108 Cb 0.09 0.59 0.07 0.00 -2.10 0.00 0.00 70.33 68.98 1ye5 n THR 108 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ye5 n ASN 109 N 0.24 -5.32 -4.76 3.42 5.15 0.46 -4.99 115.26 109.47 1ye5 n ASN 109 Ca 0.18 -0.61 -0.33 0.00 -0.60 0.00 0.00 54.58 53.22 1ye5 n ASN 109 Cb 0.38 -4.76 -0.07 0.00 -0.53 0.00 0.00 39.78 34.79 1ye5 n ASN 109 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1ye5 s SER 110 N -3.49 5.53 -0.14 1.20 0.01 0.25 -4.76 113.70 112.30 1ye5 s SER 110 Ca 0.51 0.10 -0.29 0.00 1.31 0.00 0.00 55.95 57.58 1ye5 s SER 110 Cb -0.23 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.43 1ye5 s SER 110 CO 0.76 0.27 1.20 -0.22 0.41 0.00 0.00 173.24 175.65 1ye5 s LEU 111 N -1.71 4.20 -0.47 2.44 2.96 -0.87 -4.64 118.68 120.59 1ye5 s LEU 111 Ca 0.22 1.67 -0.25 0.00 -0.22 0.00 0.00 54.13 55.55 1ye5 s LEU 111 Cb -0.12 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.05 1ye5 s LEU 111 CO 0.13 -0.68 0.91 -0.22 -1.32 0.00 0.00 176.35 175.17 1ye5 s LEU 112 N 3.01 4.04 -0.22 -0.68 2.96 0.39 -0.94 118.68 127.24 1ye5 s LEU 112 Ca 0.53 0.05 -0.20 0.00 -0.22 0.00 0.00 54.13 54.29 1ye5 s LEU 112 Cb -0.21 -3.14 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 1ye5 s LEU 112 CO 0.16 -1.05 0.61 -0.69 -1.32 0.00 0.00 176.35 174.05 1ye5 s VAL 113 N 3.73 5.02 0.13 1.68 1.01 0.40 -1.77 120.40 130.60 1ye5 s VAL 113 Ca 0.36 1.12 -0.12 0.00 0.00 0.00 0.00 61.98 63.34 1ye5 s VAL 113 Cb -0.10 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1ye5 s VAL 113 CO 0.25 0.09 0.31 0.28 0.00 0.00 0.00 175.10 176.03 1ye5 s THR 114 N 2.12 0.09 -0.97 3.92 -1.32 -0.80 -3.36 115.64 115.32 1ye5 s THR 114 Ca 0.27 -0.98 0.26 0.00 -1.21 0.00 0.00 61.69 60.02 1ye5 s THR 114 Cb -0.16 -1.41 0.07 0.00 -1.51 0.00 0.00 72.50 69.50 1ye5 s THR 114 CO 0.09 -0.42 1.54 0.47 -2.21 0.00 0.00 174.62 174.09 1ye5 n ASP 115 N -0.17 0.40 -3.21 8.08 8.00 -1.26 -0.70 116.55 127.68 1ye5 n ASP 115 Ca -0.13 -0.03 -0.24 0.00 0.71 0.00 0.00 54.79 55.10 1ye5 n ASP 115 Cb 0.63 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.72 1ye5 n ASP 115 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ye5 n ASP 116 N -1.56 1.79 -0.24 -2.24 -0.08 -1.26 -4.86 116.55 108.10 1ye5 n ASP 116 Ca 0.06 -3.08 0.05 0.00 -1.51 0.00 0.00 54.79 50.30 1ye5 n ASP 116 Cb 0.35 -0.63 0.29 0.00 2.34 0.00 0.00 41.12 43.46 1ye5 n ASP 116 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ye5 h PRO 117 N 3.69 0.88 -0.99 -0.67 0.13 -1.91 -2.63 132.00 130.50 1ye5 h PRO 117 Ca 0.12 -0.05 0.15 0.00 -0.87 0.00 0.00 66.00 65.35 1ye5 h PRO 117 Cb 0.79 -0.20 -0.09 0.00 0.13 0.00 0.00 31.00 31.63 1ye5 h PRO 117 CO 0.61 0.58 0.62 0.87 -0.23 0.00 0.00 178.00 180.45 1ye5 h LYS 118 N 0.91 0.83 -0.88 0.86 1.57 -1.98 -0.36 116.57 117.52 1ye5 h LYS 118 Ca 0.34 -0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.21 1ye5 h LYS 118 Cb 0.18 -0.19 -0.09 0.00 0.08 0.00 0.00 32.23 32.21 1ye5 h LYS 118 CO -0.12 0.55 0.49 -0.09 -0.57 0.00 0.00 179.45 179.71 1ye5 h ARG 119 N 0.86 0.70 -0.00 3.15 2.43 -1.90 -1.65 114.38 117.96 1ye5 h ARG 119 Ca 0.52 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1ye5 h ARG 119 Cb 0.69 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1ye5 h ARG 119 CO -0.30 0.46 -0.29 0.66 -1.51 0.00 0.00 179.97 178.99 1ye5 n TYR 120 N -4.80 0.00 -0.31 2.20 4.01 -0.20 -4.49 117.16 113.57 1ye5 n TYR 120 Ca 0.17 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 58.07 1ye5 n TYR 120 Cb 0.41 -0.35 0.33 0.00 -0.31 0.00 0.00 39.34 39.42 1ye5 n TYR 120 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1ye5 h GLU 121 N 0.02 0.16 0.00 -0.72 4.57 -0.71 0.56 114.58 118.46 1ye5 h GLU 121 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ye5 h GLU 121 Cb 0.50 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1ye5 h GLU 121 CO 0.00 0.11 0.00 -2.30 -1.18 0.00 0.00 179.01 175.64 1ye5 n PRO 122 N -5.26 0.02 -0.00 0.92 -0.02 -1.26 -1.71 135.00 127.68 1ye5 n PRO 122 Ca 0.24 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 62.32 1ye5 n PRO 122 Cb 0.77 -1.55 -0.11 0.00 -0.02 0.00 0.00 33.50 32.58 1ye5 n PRO 122 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1ye5 n ILE 123 N -1.59 0.00 0.27 4.25 5.41 0.19 -4.34 119.36 123.55 1ye5 n ILE 123 Ca 0.00 -0.02 0.13 0.00 1.00 0.00 0.00 62.75 63.86 1ye5 n ILE 123 Cb 0.02 0.93 0.81 0.00 -0.71 0.00 0.00 39.64 40.68 1ye5 n ILE 123 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1ye5 h ARG 124 N 0.00 0.00 0.00 0.38 3.08 -1.41 -0.00 114.38 116.43 1ye5 h ARG 124 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ye5 h ARG 124 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1ye5 h ARG 124 CO 0.00 0.00 0.00 2.89 -1.07 0.00 0.00 179.97 181.79 1ye5 n ARG 125 N -4.09 0.06 -0.18 0.04 1.85 -1.26 -1.66 116.66 111.41 1ye5 n ARG 125 Ca -0.02 0.23 0.10 0.00 -1.00 0.00 0.00 57.85 57.16 1ye5 n ARG 125 Cb 0.12 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.23 1ye5 n ARG 125 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1ye5 n PHE 126 N -1.44 0.49 0.00 2.89 3.72 -0.02 -4.94 117.46 118.16 1ye5 n PHE 126 Ca 0.04 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 1ye5 n PHE 126 Cb 0.15 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1ye5 n PHE 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ye5 n GLY 127 N 1.25 0.89 3.77 1.37 0.00 -0.66 -5.03 105.19 106.78 1ye5 n GLY 127 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1ye5 n GLY 127 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ye5 s LEU 128 N 0.00 4.34 -0.08 0.99 2.96 -1.23 -4.88 118.68 120.78 1ye5 s LEU 128 Ca 0.00 2.78 0.03 0.00 -0.22 0.00 0.00 54.13 56.72 1ye5 s LEU 128 Cb 0.00 -3.72 0.01 0.00 0.50 0.00 0.00 46.19 42.98 1ye5 s LEU 128 CO 0.00 -0.71 -0.16 -0.62 -1.32 0.00 0.00 176.35 173.54 1ye5 s ASP 129 N -0.46 2.18 0.27 3.68 -1.08 -1.26 -4.46 116.67 115.54 1ye5 s ASP 129 Ca 0.52 -0.38 0.06 0.00 -0.52 0.00 0.00 52.55 52.23 1ye5 s ASP 129 Cb -0.41 -1.00 -0.06 0.00 -1.46 0.00 0.00 42.92 39.99 1ye5 s ASP 129 CO 0.55 0.06 -0.04 0.42 0.52 0.00 0.00 175.17 176.68 1ye5 s THR 130 N 0.61 1.46 -0.23 1.71 -4.23 -1.26 -0.46 115.64 113.24 1ye5 s THR 130 Ca -0.15 -2.09 -0.20 0.00 -1.18 0.00 0.00 61.69 58.07 1ye5 s THR 130 Cb -0.16 -2.43 0.06 0.00 1.34 0.00 0.00 72.50 71.30 1ye5 s THR 130 CO 0.05 -0.30 0.60 -0.32 -0.54 0.00 0.00 174.62 174.11 1ye5 s MET 131 N -3.77 0.70 0.34 3.99 1.75 -0.73 -4.88 119.30 116.69 1ye5 s MET 131 Ca 0.29 0.87 -0.29 0.00 -1.25 0.00 0.00 55.69 55.32 1ye5 s MET 131 Cb 0.05 0.32 -0.11 0.00 2.84 0.00 0.00 34.83 37.92 1ye5 s MET 131 CO 0.11 -0.09 1.41 -2.14 -0.65 0.00 0.00 175.02 173.66 1ye5 s PRO 132 N 0.46 4.24 0.25 4.11 0.02 -1.26 -1.91 135.00 140.91 1ye5 s PRO 132 Ca -0.01 2.39 -0.04 0.00 0.02 0.00 0.00 61.00 63.36 1ye5 s PRO 132 Cb -0.04 -3.03 0.38 0.00 0.02 0.00 0.00 34.50 31.82 1ye5 s PRO 132 CO -0.01 -0.38 1.87 1.25 -0.33 0.00 0.00 177.00 179.40 1ye5 h LEU 133 N 3.50 0.94 -0.36 -5.54 5.85 -1.24 -1.62 115.31 116.85 1ye5 h LEU 133 Ca -0.49 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.29 1ye5 h LEU 133 Cb 1.23 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1ye5 h LEU 133 CO 0.67 0.60 0.08 0.44 -0.34 0.00 0.00 178.44 179.89 1ye5 h ASP 134 N 1.08 0.03 -0.31 1.25 3.32 -1.91 -0.13 116.42 119.75 1ye5 h ASP 134 Ca 0.41 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 1ye5 h ASP 134 Cb 0.18 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1ye5 h ASP 134 CO -0.18 0.05 0.17 0.11 -1.72 0.00 0.00 179.24 177.68 1ye5 h LYS 135 N 0.20 0.43 -0.59 3.56 1.57 -1.78 -1.81 116.57 118.15 1ye5 h LYS 135 Ca 0.17 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 1ye5 h LYS 135 Cb 0.19 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1ye5 h LYS 135 CO -0.21 0.36 0.25 0.35 -0.57 0.00 0.00 179.45 179.63 1ye5 h PHE 136 N 0.38 0.45 -0.62 -1.35 3.57 -0.85 0.43 116.94 118.96 1ye5 h PHE 136 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ye5 h PHE 136 Cb 0.05 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1ye5 h PHE 136 CO -0.03 0.16 0.35 0.82 -2.23 0.00 0.00 178.31 177.37 1ye5 h ILE 137 N 0.47 1.19 -0.21 1.41 2.04 -0.73 -0.00 117.51 121.68 1ye5 h ILE 137 Ca 0.29 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1ye5 h ILE 137 Cb 0.29 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1ye5 h ILE 137 CO -0.25 0.21 0.00 0.11 0.00 0.00 0.00 178.15 178.22 1ye5 h LYS 138 N 0.84 0.37 -0.27 2.37 1.57 -0.46 -1.91 116.57 119.09 1ye5 h LYS 138 Ca 0.22 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1ye5 h LYS 138 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1ye5 h LYS 138 CO -0.04 0.56 0.18 1.49 -0.57 0.00 0.00 179.45 181.07 1ye5 h GLU 139 N 0.13 0.23 0.01 3.15 4.57 0.13 -1.54 114.58 121.26 1ye5 h GLU 139 Ca 0.06 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 58.03 1ye5 h GLU 139 Cb 0.39 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1ye5 h GLU 139 CO 0.01 0.15 -0.93 0.28 -1.18 0.00 0.00 179.01 177.35 1ye5 h VAL 140 N 0.24 1.63 -0.57 0.32 2.07 -0.75 -3.40 116.25 115.79 1ye5 h VAL 140 Ca 0.11 -3.07 -0.28 0.00 0.82 0.00 0.00 66.70 64.28 1ye5 h VAL 140 Cb 0.15 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1ye5 h VAL 140 CO -0.02 0.88 0.81 -1.61 0.02 0.00 0.00 177.57 177.65 1ye5 s GLU 141 N -2.94 2.42 0.00 1.57 2.02 -0.58 -4.56 118.70 116.63 1ye5 s GLU 141 Ca -0.00 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1ye5 s GLU 141 Cb 0.10 -5.12 0.00 0.00 0.10 0.00 0.00 34.13 29.21 1ye5 s GLU 141 CO 0.81 -3.78 0.00 1.47 0.02 0.00 0.00 175.26 173.78 1ye5 n LEU 142 N 14.62 0.00 0.00 1.80 -0.00 -1.26 -4.99 117.00 127.17 1ye5 n LEU 142 Ca 0.42 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.56 1ye5 n LEU 142 Cb 0.47 0.00 0.77 0.00 -0.00 0.00 0.00 43.42 44.65 1ye5 n LEU 142 CO 0.63 0.00 0.95 1.15 -0.00 0.00 0.00 177.39 180.11