#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qvo h ILE 6 N 0.00 1.19 -0.33 0.55 5.03 -2.00 -2.85 117.51 119.10 2qvo h ILE 6 Ca 0.00 -0.56 0.07 0.00 -0.12 0.00 0.00 64.86 64.25 2qvo h ILE 6 Cb 0.00 1.46 -0.02 0.00 -3.03 0.00 0.00 36.82 35.23 2qvo h ILE 6 CO 0.00 0.16 0.23 0.11 -0.68 0.00 0.00 178.15 177.96 2qvo h LYS 7 N -0.12 0.10 -0.50 2.37 6.56 -2.00 0.34 116.57 123.32 2qvo h LYS 7 Ca 0.02 -0.01 0.10 0.00 -1.06 0.00 0.00 60.65 59.70 2qvo h LYS 7 Cb 0.24 -0.02 -0.10 0.00 -0.57 0.00 0.00 32.23 31.78 2qvo h LYS 7 CO 0.00 0.07 -0.14 1.25 -2.06 0.00 0.00 179.45 178.56 2qvo h LEU 8 N 0.10 -0.52 0.00 2.94 5.85 -1.99 -3.29 115.31 118.40 2qvo h LEU 8 Ca 0.15 0.16 -0.28 0.00 0.84 0.00 0.00 57.88 58.74 2qvo h LEU 8 Cb 0.47 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 2qvo h LEU 8 CO -0.02 -0.18 -2.18 0.18 -0.34 0.00 0.00 178.44 175.90 2qvo n LEU 9 N -5.37 0.00 -4.63 2.25 4.77 -0.72 -5.02 117.00 108.28 2qvo n LEU 9 Ca 0.04 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 2qvo n LEU 9 Cb 0.28 0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 41.66 2qvo n LEU 9 CO 0.10 0.38 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.80 2qvo s PHE 10 N -2.55 2.86 -0.58 -1.77 0.08 0.11 -5.06 117.98 111.07 2qvo s PHE 10 Ca -0.09 -0.09 -0.27 0.00 0.12 0.00 0.00 56.93 56.60 2qvo s PHE 10 Cb 0.06 -1.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 2qvo s PHE 10 CO 0.74 0.45 1.59 0.15 -0.10 0.00 0.00 175.22 178.04 2qvo s LYS 11 N -2.21 3.06 0.25 0.44 -0.14 -1.26 -4.39 119.74 115.49 2qvo s LYS 11 Ca 0.23 0.51 -0.05 0.00 -1.36 0.00 0.00 55.97 55.30 2qvo s LYS 11 Cb -0.11 -4.23 0.28 0.00 -1.68 0.00 0.00 37.83 32.09 2qvo s LYS 11 CO 0.15 -2.23 1.92 1.05 -0.76 0.00 0.00 175.35 175.49 2qvo h GLU 12 N 12.44 1.30 -0.22 1.68 4.11 -1.91 -0.75 114.58 131.24 2qvo h GLU 12 Ca -0.27 -0.08 -0.05 0.00 0.07 0.00 0.00 59.36 59.03 2qvo h GLU 12 Cb 1.12 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2qvo h GLU 12 CO 1.19 0.86 -0.04 0.87 0.07 0.00 0.00 179.01 181.96 2qvo h LYS 13 N 1.34 0.41 -0.62 1.06 1.79 -1.98 -1.13 116.57 117.45 2qvo h LYS 13 Ca 0.38 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.61 2qvo h LYS 13 Cb -0.12 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 2qvo h LYS 13 CO -0.09 0.64 0.05 0.00 -1.08 0.00 0.00 179.45 178.97 2qvo h ALA 14 N 0.76 0.92 0.07 3.86 0.00 -1.93 -2.49 119.26 120.45 2qvo h ALA 14 Ca 0.06 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2qvo h ALA 14 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2qvo h ALA 14 CO 0.02 0.65 -0.09 1.25 0.00 0.00 0.00 179.25 181.08 2qvo h LEU 15 N 0.96 -0.25 -1.08 0.00 5.85 -1.06 -1.69 115.31 118.05 2qvo h LEU 15 Ca 0.18 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.98 2qvo h LEU 15 Cb 0.49 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 2qvo h LEU 15 CO 0.02 -0.14 0.62 -0.33 -0.34 0.00 0.00 178.44 178.27 2qvo h GLU 16 N -0.19 1.12 -0.06 1.25 5.08 -1.09 -0.43 114.58 120.26 2qvo h GLU 16 Ca 0.01 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2qvo h GLU 16 Cb 0.20 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2qvo h GLU 16 CO -0.04 0.74 0.02 0.82 -1.00 0.00 0.00 179.01 179.55 2qvo h ILE 17 N 1.16 1.17 -0.46 3.13 2.04 -1.29 -1.03 117.51 122.24 2qvo h ILE 17 Ca 0.39 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2qvo h ILE 17 Cb 0.09 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2qvo h ILE 17 CO -0.13 0.15 0.27 0.25 0.00 0.00 0.00 178.15 178.68 2qvo h LEU 18 N -0.11 0.43 -0.49 1.44 5.85 -0.77 -1.91 115.31 119.76 2qvo h LEU 18 Ca 0.02 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 2qvo h LEU 18 Cb 0.22 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2qvo h LEU 18 CO -0.00 0.31 -0.74 0.24 -0.34 0.00 0.00 178.44 177.90 2qvo h MET 19 N 0.54 0.12 -0.37 1.25 2.86 -1.09 -1.81 114.93 116.44 2qvo h MET 19 Ca 0.19 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2qvo h MET 19 Cb 0.02 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2qvo h MET 19 CO -0.09 0.81 0.24 1.15 1.06 0.00 0.00 176.91 180.08 2qvo h THR 20 N 0.08 1.10 -0.41 2.22 2.02 -0.91 -0.45 112.91 116.57 2qvo h THR 20 Ca -0.02 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2qvo h THR 20 Cb 1.31 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2qvo h THR 20 CO 0.11 0.10 0.26 0.40 0.37 0.00 0.00 175.52 176.75 2qvo h ILE 21 N 0.50 1.13 0.33 3.11 2.04 -1.19 -0.99 117.51 122.44 2qvo h ILE 21 Ca 0.14 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2qvo h ILE 21 Cb -0.04 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2qvo h ILE 21 CO -0.03 0.12 -0.37 0.22 0.00 0.00 0.00 178.15 178.10 2qvo h TYR 22 N 0.55 -1.01 -0.46 1.37 3.20 -1.02 -0.86 116.97 118.75 2qvo h TYR 22 Ca 0.15 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 2qvo h TYR 22 Cb -0.02 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2qvo h TYR 22 CO -0.04 -0.51 -0.17 1.88 -1.64 0.00 0.00 178.16 177.68 2qvo h TYR 23 N -0.74 1.00 -0.39 -3.82 0.05 -1.06 -0.50 116.97 111.52 2qvo h TYR 23 Ca -0.02 -0.22 -0.03 0.00 0.05 0.00 0.00 58.73 58.52 2qvo h TYR 23 Cb 0.68 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 2qvo h TYR 23 CO -0.23 0.99 0.13 1.49 -1.05 0.00 0.00 178.16 179.49 2qvo h GLU 24 N 0.78 0.59 -0.42 4.88 4.57 -1.12 -2.22 114.58 121.64 2qvo h GLU 24 Ca 0.11 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 2qvo h GLU 24 Cb 0.71 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 2qvo h GLU 24 CO 0.05 0.58 -0.09 0.66 -1.18 0.00 0.00 179.01 179.04 2qvo h SER 25 N 0.48 0.81 -0.74 1.04 4.64 -1.02 -2.16 113.55 116.60 2qvo h SER 25 Ca 0.13 -0.35 0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2qvo h SER 25 Cb 0.23 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 2qvo h SER 25 CO -0.01 0.98 0.49 0.25 -0.87 0.00 0.00 176.83 177.67 2qvo h LEU 26 N 0.63 0.51 0.00 5.97 5.85 -1.00 -0.96 115.31 126.31 2qvo h LEU 26 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2qvo h LEU 26 Cb 0.61 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2qvo h LEU 26 CO 0.04 0.29 -0.07 0.61 -0.34 0.00 0.00 178.44 178.97 2qvo n GLY 27 N -1.48 -1.52 0.00 3.75 0.00 -0.84 -4.92 105.19 100.17 2qvo n GLY 27 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2qvo n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qvo n GLY 28 N 1.45 1.16 3.85 -0.02 0.00 -0.36 -5.11 105.19 106.16 2qvo n GLY 28 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2qvo n GLY 28 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qvo s ASN 29 N -2.00 6.73 0.31 1.61 0.02 -0.83 -5.02 114.94 115.75 2qvo s ASN 29 Ca 0.00 0.89 -0.29 0.00 -1.02 0.00 0.00 52.86 52.44 2qvo s ASN 29 Cb 0.00 -2.22 -0.11 0.00 0.02 0.00 0.00 41.25 38.94 2qvo s ASN 29 CO 0.00 0.22 1.46 -1.81 0.02 0.00 0.00 177.10 176.99 2qvo s ASP 30 N -1.51 6.54 -0.36 -1.22 1.01 -1.26 -4.07 116.67 115.80 2qvo s ASP 30 Ca 0.30 2.83 -0.16 0.00 0.71 0.00 0.00 52.55 56.23 2qvo s ASP 30 Cb -0.15 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.13 2qvo s ASP 30 CO 0.16 -0.76 0.38 -0.69 0.21 0.00 0.00 175.17 174.48 2qvo s VAL 31 N -0.50 5.15 -0.03 -1.27 1.01 -1.26 -4.96 120.40 118.53 2qvo s VAL 31 Ca 0.56 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.44 2qvo s VAL 31 Cb -0.44 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2qvo s VAL 31 CO 0.51 -0.16 0.25 -0.31 0.00 0.00 0.00 175.10 175.40 2qvo s TYR 32 N 2.05 3.61 0.39 5.22 2.02 -1.26 -0.84 117.35 128.54 2qvo s TYR 32 Ca 0.12 0.64 0.09 0.00 -0.37 0.00 0.00 57.07 57.55 2qvo s TYR 32 Cb -0.17 -2.03 0.85 0.00 -0.40 0.00 0.00 41.96 40.21 2qvo s TYR 32 CO 0.12 0.66 1.96 0.97 -1.57 0.00 0.00 175.55 177.69 2qvo h ILE 33 N 3.47 0.96 -0.75 2.71 2.10 -1.77 -1.12 117.51 123.11 2qvo h ILE 33 Ca -0.52 -0.21 -0.02 0.00 1.08 0.00 0.00 64.86 65.19 2qvo h ILE 33 Cb 1.21 0.28 -0.04 0.00 -1.09 0.00 0.00 36.82 37.19 2qvo h ILE 33 CO 0.63 0.11 0.41 1.56 -1.08 0.00 0.00 178.15 179.78 2qvo h GLN 34 N 0.63 1.04 -0.28 2.19 7.50 -1.94 -2.03 115.11 122.21 2qvo h GLN 34 Ca 0.31 -0.12 -0.03 0.00 0.50 0.00 0.00 58.65 59.30 2qvo h GLN 34 Cb 0.39 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.70 2qvo h GLN 34 CO -0.10 0.78 0.06 -0.92 -1.50 0.00 0.00 178.83 177.15 2qvo h TYR 35 N 1.03 0.49 -0.49 2.96 3.20 -1.63 -1.74 116.97 120.78 2qvo h TYR 35 Ca 0.26 -0.06 0.08 0.00 3.14 0.00 0.00 58.73 62.15 2qvo h TYR 35 Cb 0.04 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.11 2qvo h TYR 35 CO -0.00 0.54 0.13 0.82 -1.64 0.00 0.00 178.16 178.01 2qvo h ILE 36 N 0.29 0.76 -0.91 1.81 2.04 -1.22 -1.08 117.51 119.22 2qvo h ILE 36 Ca 0.09 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.94 2qvo h ILE 36 Cb 0.30 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 2qvo h ILE 36 CO 0.00 0.05 0.56 0.00 0.00 0.00 0.00 178.15 178.76 2qvo h ALA 37 N 1.36 1.29 0.00 1.87 0.00 -1.24 -1.33 119.26 121.22 2qvo h ALA 37 Ca 0.24 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2qvo h ALA 37 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2qvo h ALA 37 CO -0.29 0.23 -0.18 0.66 0.00 0.00 0.00 179.25 179.67 2qvo h SER 38 N 0.95 0.00 0.43 0.00 4.64 -0.28 -3.23 113.55 116.06 2qvo h SER 38 Ca 0.42 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.44 2qvo h SER 38 Cb 0.31 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 2qvo h SER 38 CO -0.22 0.18 -1.79 0.29 -0.87 0.00 0.00 176.83 174.42 2qvo n LYS 39 N -4.11 0.64 -3.22 4.77 4.76 -0.73 -4.97 118.16 115.29 2qvo n LYS 39 Ca -0.02 0.26 -0.20 0.00 -2.87 0.00 0.00 58.31 55.49 2qvo n LYS 39 Cb 0.26 -1.76 0.02 0.00 -1.84 0.00 0.00 35.03 31.70 2qvo n LYS 39 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2qvo s VAL 40 N -2.59 2.52 -0.91 -0.18 -7.23 -0.58 -5.03 120.40 106.41 2qvo s VAL 40 Ca -0.05 -1.12 -0.00 0.00 -1.81 0.00 0.00 61.98 58.99 2qvo s VAL 40 Cb 0.08 -2.64 0.33 0.00 0.56 0.00 0.00 36.38 34.71 2qvo s VAL 40 CO 0.82 0.00 1.74 0.59 -0.31 0.00 0.00 175.10 177.95 2qvo n ASN 41 N -1.90 6.96 -4.01 4.85 4.13 -1.26 -4.90 115.26 119.13 2qvo n ASN 41 Ca 0.09 -3.73 -0.13 0.00 1.68 0.00 0.00 54.58 52.49 2qvo n ASN 41 Cb 0.61 -1.04 -0.12 0.00 -1.54 0.00 0.00 39.78 37.68 2qvo n ASN 41 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2qvo s SER 42 N -1.63 0.63 0.74 6.41 0.01 -1.26 -5.08 113.70 113.52 2qvo s SER 42 Ca 0.44 -0.37 -0.14 0.00 1.31 0.00 0.00 55.95 57.19 2qvo s SER 42 Cb 0.27 0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.55 2qvo s SER 42 CO -0.20 -0.12 1.14 -2.84 0.41 0.00 0.00 173.24 171.63 2qvo s PRO 43 N -1.02 2.25 0.28 12.44 0.02 -1.26 -4.81 135.00 142.90 2qvo s PRO 43 Ca -0.07 1.50 0.02 0.00 0.02 0.00 0.00 61.00 62.47 2qvo s PRO 43 Cb -0.07 -1.87 0.66 0.00 0.02 0.00 0.00 34.50 33.24 2qvo s PRO 43 CO 0.00 -1.70 1.71 0.45 -0.33 0.00 0.00 177.00 177.14 2qvo h HIS 44 N -0.53 0.67 -0.49 6.54 3.86 -1.98 -1.72 115.15 121.50 2qvo h HIS 44 Ca -0.46 0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 58.74 2qvo h HIS 44 Cb 1.26 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.55 2qvo h HIS 44 CO 0.52 0.01 0.11 0.66 0.86 0.00 0.00 177.93 180.10 2qvo h SER 45 N 0.46 0.70 -0.24 2.45 4.64 -1.99 -1.02 113.55 118.54 2qvo h SER 45 Ca 0.53 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.64 2qvo h SER 45 Cb 0.93 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2qvo h SER 45 CO -0.48 0.70 -0.21 0.22 -0.87 0.00 0.00 176.83 176.19 2qvo h TYR 46 N 0.73 0.66 -0.50 4.77 3.20 -1.69 -1.76 116.97 122.38 2qvo h TYR 46 Ca 0.16 -0.19 0.08 0.00 3.14 0.00 0.00 58.73 61.92 2qvo h TYR 46 Cb 0.28 -0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.34 2qvo h TYR 46 CO 0.01 0.88 0.12 0.28 -1.64 0.00 0.00 178.16 177.81 2qvo h VAL 47 N 0.26 0.74 -0.40 1.81 2.07 -1.20 -1.14 116.25 118.40 2qvo h VAL 47 Ca 0.04 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.53 2qvo h VAL 47 Cb 0.75 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2qvo h VAL 47 CO 0.05 0.05 0.08 -0.25 0.02 0.00 0.00 177.57 177.52 2qvo h TRP 48 N 0.26 0.13 -0.38 1.57 7.01 -1.11 -0.42 115.95 123.01 2qvo h TRP 48 Ca 0.25 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.27 2qvo h TRP 48 Cb 0.32 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 2qvo h TRP 48 CO -0.21 0.02 0.25 1.25 -2.79 0.00 0.00 178.44 176.95 2qvo h LEU 49 N 0.21 0.45 -0.41 0.65 5.85 -0.73 -1.40 115.31 119.93 2qvo h LEU 49 Ca 0.19 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2qvo h LEU 49 Cb 0.22 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2qvo h LEU 49 CO -0.25 0.34 0.12 0.40 -0.34 0.00 0.00 178.44 178.71 2qvo h ILE 50 N 0.51 1.22 -0.65 4.05 1.08 -0.93 -1.78 117.51 121.01 2qvo h ILE 50 Ca 0.14 -0.73 0.08 0.00 -0.39 0.00 0.00 64.86 63.96 2qvo h ILE 50 Cb -0.04 0.93 -0.07 0.00 -3.07 0.00 0.00 36.82 34.57 2qvo h ILE 50 CO -0.03 0.26 0.30 0.40 -0.69 0.00 0.00 178.15 178.39 2qvo h ILE 51 N 0.51 0.85 -0.58 -0.67 1.08 -0.89 0.90 117.51 118.71 2qvo h ILE 51 Ca 0.13 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.39 2qvo h ILE 51 Cb 0.27 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 2qvo h ILE 51 CO -0.00 0.10 0.25 0.11 -0.69 0.00 0.00 178.15 177.92 2qvo h LYS 52 N 0.54 0.82 -0.48 2.37 1.79 -0.96 0.13 116.57 120.78 2qvo h LYS 52 Ca 0.32 -0.11 -0.11 0.00 -2.18 0.00 0.00 60.65 58.56 2qvo h LYS 52 Cb 0.33 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2qvo h LYS 52 CO -0.26 0.66 -0.14 0.87 -1.08 0.00 0.00 179.45 179.50 2qvo h LYS 53 N 0.82 0.95 -0.74 3.15 1.57 -0.42 -0.53 116.57 121.37 2qvo h LYS 53 Ca 0.20 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2qvo h LYS 53 Cb 0.12 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2qvo h LYS 53 CO -0.02 1.04 0.37 0.74 -0.57 0.00 0.00 179.45 181.01 2qvo h PHE 54 N 0.80 1.05 -0.44 -1.35 0.04 -0.26 -0.84 116.94 115.93 2qvo h PHE 54 Ca 0.12 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2qvo h PHE 54 Cb 0.70 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 2qvo h PHE 54 CO 0.05 0.76 0.26 1.49 -0.60 0.00 0.00 178.31 180.26 2qvo h GLU 55 N 1.03 0.61 -0.86 1.51 4.81 -0.57 0.42 114.58 121.52 2qvo h GLU 55 Ca 0.26 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 2qvo h GLU 55 Cb 0.09 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 2qvo h GLU 55 CO -0.04 0.46 0.53 1.49 -0.73 0.00 0.00 179.01 180.73 2qvo h GLU 56 N 0.58 0.95 0.00 1.92 4.81 -0.75 -1.41 114.58 120.68 2qvo h GLU 56 Ca 0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2qvo h GLU 56 Cb 0.02 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.19 2qvo h GLU 56 CO -0.03 0.63 0.00 0.00 -0.73 0.00 0.00 179.01 178.88 2qvo n ALA 57 N -2.35 2.47 -2.58 2.92 0.00 -0.35 -4.90 120.51 115.71 2qvo n ALA 57 Ca 0.12 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 2qvo n ALA 57 Cb 0.17 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 2qvo n ALA 57 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qvo n LYS 58 N -0.58 -2.46 -0.01 0.00 5.02 -0.53 -4.88 118.16 114.70 2qvo n LYS 58 Ca 0.04 0.71 0.05 0.00 -2.02 0.00 0.00 58.31 57.09 2qvo n LYS 58 Cb 0.02 -5.36 -0.14 0.00 -0.02 0.00 0.00 35.03 29.53 2qvo n LYS 58 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2qvo n MET 59 N -3.06 0.66 -4.18 1.97 2.81 0.09 -4.43 117.12 110.97 2qvo n MET 59 Ca -0.15 -0.06 -0.11 0.00 -1.81 0.00 0.00 57.70 55.56 2qvo n MET 59 Cb 0.62 -1.59 -0.10 0.00 -0.71 0.00 0.00 33.22 31.44 2qvo n MET 59 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2qvo s VAL 60 N -3.18 0.71 0.07 2.03 -7.23 -1.20 -1.38 120.40 110.21 2qvo s VAL 60 Ca -0.07 -1.95 0.09 0.00 -1.81 0.00 0.00 61.98 58.24 2qvo s VAL 60 Cb 0.11 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 2qvo s VAL 60 CO 0.87 -0.82 -0.23 -1.61 -0.31 0.00 0.00 175.10 172.99 2qvo s GLU 61 N -3.84 1.45 0.06 4.82 2.02 0.77 -4.22 118.70 119.77 2qvo s GLU 61 Ca 0.13 -1.10 0.06 0.00 0.02 0.00 0.00 54.97 54.08 2qvo s GLU 61 Cb 0.05 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 2qvo s GLU 61 CO -0.04 0.42 -0.10 0.00 0.02 0.00 0.00 175.26 175.57 2qvo s GLU 63 N -1.87 0.79 -0.19 0.00 -1.05 -0.26 -4.99 118.70 111.12 2qvo s GLU 63 Ca 0.19 -0.63 -0.12 0.00 -0.15 0.00 0.00 54.97 54.26 2qvo s GLU 63 Cb -0.11 0.33 -0.05 0.00 -0.44 0.00 0.00 34.13 33.86 2qvo s GLU 63 CO 0.11 -0.25 0.20 -0.51 0.95 0.00 0.00 175.26 175.77 2qvo s LEU 64 N -2.24 4.22 -0.49 1.83 1.43 -1.26 -0.35 118.68 121.82 2qvo s LEU 64 Ca -0.03 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2qvo s LEU 64 Cb 0.00 -2.22 0.13 0.00 0.03 0.00 0.00 46.19 44.13 2qvo s LEU 64 CO -0.05 0.14 0.27 -0.70 0.23 0.00 0.00 176.35 176.23 2qvo s GLU 65 N 0.45 2.11 7.32 1.70 2.12 0.39 -4.95 118.70 127.83 2qvo s GLU 65 Ca 0.12 -2.19 0.00 0.00 0.36 0.00 0.00 54.97 53.26 2qvo s GLU 65 Cb -0.12 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.73 2qvo s GLU 65 CO 0.01 -1.09 0.00 0.41 -0.54 0.00 0.00 175.26 174.04 2qvo n GLY 66 N 3.95 2.72 1.34 -1.50 0.00 -1.26 -1.31 105.19 109.14 2qvo n GLY 66 Ca 0.03 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.09 2qvo n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qvo n ARG 67 N 8.59 2.94 -3.76 1.61 1.74 -1.26 -4.95 116.66 121.57 2qvo n ARG 67 Ca 0.00 -2.67 -0.37 0.00 -0.77 0.00 0.00 57.85 54.04 2qvo n ARG 67 Cb 0.00 -1.61 -0.13 0.00 -1.02 0.00 0.00 32.46 29.70 2qvo n ARG 67 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2qvo s THR 68 N -1.17 4.13 -0.20 0.55 2.01 -0.42 -5.07 115.64 115.46 2qvo s THR 68 Ca 0.48 -0.43 -0.26 0.00 0.31 0.00 0.00 61.69 61.78 2qvo s THR 68 Cb 0.26 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 2qvo s THR 68 CO 0.30 0.21 0.89 -0.75 -0.69 0.00 0.00 174.62 174.58 2qvo s LYS 69 N 1.56 4.26 -0.11 4.92 2.20 -1.26 -0.46 119.74 130.85 2qvo s LYS 69 Ca 0.05 1.10 -0.01 0.00 -0.36 0.00 0.00 55.97 56.75 2qvo s LYS 69 Cb -0.16 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 2qvo s LYS 69 CO 0.03 -0.45 -0.07 0.42 -0.36 0.00 0.00 175.35 174.91 2qvo s ILE 70 N 2.59 3.61 -0.09 5.43 1.01 0.53 -1.93 121.20 132.34 2qvo s ILE 70 Ca 0.39 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.60 2qvo s ILE 70 Cb -0.16 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 39.79 2qvo s ILE 70 CO 0.10 0.55 -0.23 -0.63 0.00 0.00 0.00 174.94 174.73 2qvo s ILE 71 N -0.22 2.21 0.00 2.92 1.01 -0.02 -1.10 121.20 126.00 2qvo s ILE 71 Ca 0.03 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.75 2qvo s ILE 71 Cb -0.13 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 2qvo s ILE 71 CO 0.03 0.56 -0.14 0.00 0.00 0.00 0.00 174.94 175.38 2qvo s ARG 72 N 0.22 1.09 0.25 2.79 1.70 -0.11 -4.11 118.95 120.77 2qvo s ARG 72 Ca -0.14 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 54.25 2qvo s ARG 72 Cb -0.17 -1.07 -0.09 0.00 -0.57 0.00 0.00 34.95 33.05 2qvo s ARG 72 CO 0.07 0.29 1.21 -0.51 -1.08 0.00 0.00 175.30 175.28 2qvo s LEU 73 N -0.56 4.47 0.88 -1.89 1.43 -1.26 -0.16 118.68 121.60 2qvo s LEU 73 Ca 0.04 2.39 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 2qvo s LEU 73 Cb -0.06 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.66 2qvo s LEU 73 CO -0.00 -0.37 1.16 0.42 0.23 0.00 0.00 176.35 177.79 2qvo s THR 74 N -0.65 1.99 0.28 5.49 -4.23 -0.48 -4.79 115.64 113.26 2qvo s THR 74 Ca 0.50 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.02 2qvo s THR 74 Cb -0.35 -2.84 0.28 0.00 1.34 0.00 0.00 72.50 70.93 2qvo s THR 74 CO 0.42 0.00 1.82 0.44 -0.54 0.00 0.00 174.62 176.76 2qvo h ASP 75 N -1.38 0.87 0.24 3.99 3.32 -1.90 0.02 116.42 121.58 2qvo h ASP 75 Ca -0.49 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 2qvo h ASP 75 Cb 1.33 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2qvo h ASP 75 CO 0.62 0.44 -0.11 0.50 -1.72 0.00 0.00 179.24 178.97 2qvo h LYS 76 N 0.93 -0.30 -0.67 3.56 3.64 -1.89 -1.61 116.57 120.23 2qvo h LYS 76 Ca 0.50 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.97 2qvo h LYS 76 Cb 0.55 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 2qvo h LYS 76 CO -0.29 -0.19 0.36 0.78 -2.27 0.00 0.00 179.45 177.85 2qvo h GLY 77 N -0.34 0.98 0.96 5.01 0.00 -1.45 -2.21 103.07 106.03 2qvo h GLY 77 Ca -0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 2qvo h GLY 77 CO 0.05 0.14 0.16 -1.61 0.00 0.00 0.00 176.54 175.28 2qvo h GLN 78 N 0.66 0.39 -0.10 4.80 4.15 -0.78 -1.35 115.11 122.89 2qvo h GLN 78 Ca 0.31 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.71 2qvo h GLN 78 Cb 0.22 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2qvo h GLN 78 CO -0.20 0.33 -0.07 0.87 -1.93 0.00 0.00 178.83 177.84 2qvo h LYS 79 N 0.35 -0.07 -0.20 1.69 1.57 -1.06 -1.02 116.57 117.83 2qvo h LYS 79 Ca 0.10 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2qvo h LYS 79 Cb 0.05 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 2qvo h LYS 79 CO -0.02 -0.05 -0.09 0.82 -0.57 0.00 0.00 179.45 179.54 2qvo h ILE 80 N -0.08 0.70 -0.80 1.86 2.04 -1.29 -1.93 117.51 118.02 2qvo h ILE 80 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.97 2qvo h ILE 80 Cb 0.17 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 2qvo h ILE 80 CO -0.15 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.50 2qvo h ALA 81 N 1.11 1.07 -0.94 1.87 0.00 -0.95 -0.86 119.26 120.56 2qvo h ALA 81 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2qvo h ALA 81 Cb 0.23 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2qvo h ALA 81 CO -0.24 0.26 0.56 1.96 0.00 0.00 0.00 179.25 181.79 2qvo h GLN 82 N 0.93 1.28 -0.31 0.00 4.20 -0.80 -0.72 115.11 119.68 2qvo h GLN 82 Ca 0.34 -0.12 -0.16 0.00 0.06 0.00 0.00 58.65 58.76 2qvo h GLN 82 Cb 0.10 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2qvo h GLN 82 CO -0.15 0.90 -0.44 1.96 -0.67 0.00 0.00 178.83 180.43 2qvo h GLN 83 N 1.30 0.80 -0.65 1.46 1.08 -0.80 -2.63 115.11 115.66 2qvo h GLN 83 Ca 0.34 -0.44 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 2qvo h GLN 83 Cb -0.04 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 2qvo h GLN 83 CO -0.06 1.07 0.22 0.82 -0.95 0.00 0.00 178.83 179.93 2qvo h ILE 84 N 0.64 1.25 -0.54 2.54 2.04 -0.89 -1.90 117.51 120.64 2qvo h ILE 84 Ca 0.04 -0.82 0.11 0.00 1.00 0.00 0.00 64.86 65.19 2qvo h ILE 84 Cb 1.01 0.56 -0.09 0.00 -0.74 0.00 0.00 36.82 37.57 2qvo h ILE 84 CO 0.10 0.32 -0.00 0.50 0.00 0.00 0.00 178.15 179.06 2qvo h LYS 85 N 0.93 0.11 -0.77 2.37 3.64 -0.99 0.17 116.57 122.02 2qvo h LYS 85 Ca 0.21 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2qvo h LYS 85 Cb 0.27 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 2qvo h LYS 85 CO -0.01 0.07 0.33 0.66 -2.27 0.00 0.00 179.45 178.23 2qvo h SER 86 N 0.11 1.04 -0.15 4.20 4.64 -1.10 -1.17 113.55 121.12 2qvo h SER 86 Ca 0.27 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2qvo h SER 86 Cb 0.42 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2qvo h SER 86 CO -0.46 0.91 0.08 0.40 -0.87 0.00 0.00 176.83 176.90 2qvo h ILE 87 N 1.12 1.09 -0.69 0.95 2.04 -0.47 0.57 117.51 122.10 2qvo h ILE 87 Ca 0.26 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.96 2qvo h ILE 87 Cb 0.18 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 2qvo h ILE 87 CO -0.03 0.08 0.37 0.40 0.00 0.00 0.00 178.15 178.98 2qvo h ILE 88 N 0.15 0.93 -0.16 -0.67 2.04 -0.48 0.29 117.51 119.60 2qvo h ILE 88 Ca 0.05 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2qvo h ILE 88 Cb 0.06 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2qvo h ILE 88 CO -0.01 0.12 0.09 0.44 0.00 0.00 0.00 178.15 178.79 2qvo h ASP 89 N 0.67 0.14 -0.59 1.72 3.32 -0.91 -2.86 116.42 117.92 2qvo h ASP 89 Ca 0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 2qvo h ASP 89 Cb 0.25 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2qvo h ASP 89 CO -0.21 0.10 0.35 0.40 -1.72 0.00 0.00 179.24 178.16 2qvo h ILE 90 N 0.18 1.18 0.00 0.35 2.04 -0.29 -3.51 117.51 117.46 2qvo h ILE 90 Ca 0.06 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2qvo h ILE 90 Cb -0.00 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2qvo h ILE 90 CO -0.03 0.19 0.00 0.80 0.00 0.00 0.00 178.15 179.10