#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2awt s ALA 2 N 0.00 3.76 -0.04 3.04 0.00 -1.26 -5.14 121.76 122.13 2awt s ALA 2 Ca 0.00 -1.85 -0.31 0.00 0.00 0.00 0.00 51.96 49.80 2awt s ALA 2 Cb 0.00 -0.86 0.12 0.00 0.00 0.00 0.00 23.12 22.38 2awt s ALA 2 CO 0.00 -0.08 1.29 0.16 0.00 0.00 0.00 175.76 177.13 2awt s ASP 3 N -3.97 -0.06 0.38 0.00 1.47 -1.26 -5.19 116.67 108.03 2awt s ASP 3 Ca 0.42 -0.12 0.06 0.00 1.18 0.00 0.00 52.55 54.09 2awt s ASP 3 Cb -0.02 0.15 -0.07 0.00 -0.34 0.00 0.00 42.92 42.63 2awt s ASP 3 CO 0.25 -0.28 0.03 -1.61 0.68 0.00 0.00 175.17 174.24 2awt s GLU 4 N -2.40 1.83 -0.47 2.11 2.02 -1.26 -5.11 118.70 115.42 2awt s GLU 4 Ca 0.14 -2.03 0.04 0.00 0.02 0.00 0.00 54.97 53.14 2awt s GLU 4 Cb 0.04 -1.31 0.23 0.00 0.10 0.00 0.00 34.13 33.19 2awt s GLU 4 CO -0.04 -0.11 0.90 1.17 0.02 0.00 0.00 175.26 177.20 2awt n LYS 5 N -0.85 0.58 -2.18 1.61 4.81 -1.26 -5.14 118.16 115.73 2awt n LYS 5 Ca -0.04 -1.63 -0.42 0.00 -0.87 0.00 0.00 58.31 55.35 2awt n LYS 5 Cb 0.67 -1.20 -0.03 0.00 0.02 0.00 0.00 35.03 34.49 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2awt s PRO 6 N 0.70 4.27 -0.74 1.64 0.04 -1.26 -4.92 135.00 134.72 2awt s PRO 6 Ca 0.30 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.32 2awt s PRO 6 Cb 0.15 -3.57 0.08 0.00 0.04 0.00 0.00 34.50 31.20 2awt s PRO 6 CO -0.16 -0.60 2.63 1.17 0.04 0.00 0.00 177.00 180.09 2awt n LYS 7 N 5.39 3.16 -3.89 4.56 3.00 -1.26 -4.86 118.16 124.26 2awt n LYS 7 Ca 0.13 -2.74 -0.27 0.00 -0.00 0.00 0.00 58.31 55.43 2awt n LYS 7 Cb 0.43 -2.31 -0.17 0.00 0.00 0.00 0.00 35.03 32.99 2awt n LYS 7 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2awt s GLU 8 N -1.58 1.43 0.00 1.64 -6.30 -1.26 -5.07 118.70 107.56 2awt s GLU 8 Ca 0.57 -0.40 0.00 0.00 -2.50 0.00 0.00 54.97 52.65 2awt s GLU 8 Cb 0.32 -1.82 0.00 0.00 0.00 0.00 0.00 34.13 32.63 2awt s GLU 8 CO -0.18 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.14 2awt n GLY 9 N 4.91 3.52 3.15 -1.50 0.00 -1.26 -5.09 105.19 108.92 2awt n GLY 9 Ca -0.12 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 2awt n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2awt s VAL 10 N 0.00 -0.20 0.31 1.61 1.01 -1.26 -5.15 120.40 116.72 2awt s VAL 10 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 2awt s VAL 10 Cb 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.88 2awt s VAL 10 CO 0.00 0.07 0.61 -1.59 0.00 0.00 0.00 175.10 174.19 2awt s LYS 11 N 1.74 1.86 -0.06 2.72 0.00 -1.26 -5.17 119.74 119.57 2awt s LYS 11 Ca -0.06 -1.34 -0.12 0.00 0.00 0.00 0.00 55.97 54.44 2awt s LYS 11 Cb -0.10 0.54 0.02 0.00 0.00 0.00 0.00 37.83 38.29 2awt s LYS 11 CO -0.11 -0.82 0.29 -0.08 0.00 0.00 0.00 175.35 174.63 2awt s THR 12 N -3.35 0.04 0.20 3.79 -1.32 -1.26 -5.17 115.64 108.56 2awt s THR 12 Ca 0.20 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 2awt s THR 12 Cb -0.03 -0.51 -0.05 0.00 -1.51 0.00 0.00 72.50 70.40 2awt s THR 12 CO 0.11 -0.16 0.08 -1.61 -2.21 0.00 0.00 174.62 170.83 2awt s GLU 13 N -0.68 1.20 0.00 7.08 2.02 -1.26 -5.05 118.70 122.00 2awt s GLU 13 Ca -0.08 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 53.29 2awt s GLU 13 Cb -0.04 -0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.15 2awt s GLU 13 CO 0.02 -0.28 0.30 0.09 0.02 0.00 0.00 175.26 175.41 2awt n ASN 14 N -0.30 0.59 0.00 -0.19 4.13 -1.26 -4.92 115.26 113.31 2awt n ASN 14 Ca -0.02 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.23 2awt n ASN 14 Cb 0.65 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.89 2awt n ASN 14 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2awt n ASN 15 N -0.00 0.00 -3.92 6.41 4.13 -1.26 -5.13 115.26 115.49 2awt n ASN 15 Ca 0.00 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.02 2awt n ASN 15 Cb 0.11 -0.07 -0.08 0.00 -1.54 0.00 0.00 39.78 38.20 2awt n ASN 15 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2awt s ASP 16 N -1.12 2.42 -0.29 6.41 1.01 -1.26 -5.00 116.67 118.83 2awt s ASP 16 Ca 0.00 -1.69 -0.01 0.00 0.71 0.00 0.00 52.55 51.56 2awt s ASP 16 Cb 0.00 0.52 0.18 0.00 1.01 0.00 0.00 42.92 44.63 2awt s ASP 16 CO 0.00 -0.96 0.56 -1.38 0.21 0.00 0.00 175.17 173.59 2awt s HIS 17 N -3.30 -1.45 0.40 4.23 -3.43 -1.26 -4.12 115.29 106.36 2awt s HIS 17 Ca 0.29 1.55 0.04 0.00 -0.80 0.00 0.00 55.06 56.13 2awt s HIS 17 Cb 0.03 0.46 -0.05 0.00 -1.43 0.00 0.00 32.58 31.59 2awt s HIS 17 CO 0.18 -0.85 0.06 0.96 -2.00 0.00 0.00 174.74 173.09 2awt s ILE 18 N 2.80 1.17 -0.00 -5.38 -4.36 0.22 -4.92 121.20 110.72 2awt s ILE 18 Ca 0.19 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.66 2awt s ILE 18 Cb -0.15 -2.58 -0.02 0.00 1.25 0.00 0.00 42.46 40.95 2awt s ILE 18 CO -0.20 0.00 -0.25 0.21 0.24 0.00 0.00 174.94 174.94 2awt s ASN 19 N -3.64 2.93 0.06 4.36 2.47 -1.26 -3.39 114.94 116.47 2awt s ASN 19 Ca 0.27 -0.48 -0.03 0.00 0.42 0.00 0.00 52.86 53.04 2awt s ASN 19 Cb 0.06 -0.31 -0.03 0.00 -1.45 0.00 0.00 41.25 39.52 2awt s ASN 19 CO 0.13 0.29 0.01 -0.76 -3.72 0.00 0.00 177.10 173.05 2awt s LEU 20 N -0.74 2.28 -0.09 3.21 1.43 -1.18 -3.00 118.68 120.58 2awt s LEU 20 Ca 0.10 -0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 52.24 2awt s LEU 20 Cb -0.10 0.37 0.04 0.00 0.03 0.00 0.00 46.19 46.53 2awt s LEU 20 CO -0.00 -0.62 0.07 -0.54 0.23 0.00 0.00 176.35 175.49 2awt s LYS 21 N -3.89 -0.02 -0.97 1.70 -0.14 -0.09 -2.98 119.74 113.35 2awt s LYS 21 Ca 0.06 0.20 -0.15 0.00 -1.36 0.00 0.00 55.97 54.73 2awt s LYS 21 Cb 0.07 -1.03 0.19 0.00 -1.68 0.00 0.00 37.83 35.38 2awt s LYS 21 CO -0.10 -0.47 1.05 0.08 -0.76 0.00 0.00 175.35 175.15 2awt s VAL 22 N 2.16 5.29 -0.13 3.17 1.01 0.90 -1.05 120.40 131.75 2awt s VAL 22 Ca 0.04 -2.35 0.03 0.00 0.00 0.00 0.00 61.98 59.69 2awt s VAL 22 Cb -0.14 -4.66 0.01 0.00 0.00 0.00 0.00 36.38 31.59 2awt s VAL 22 CO -0.05 -1.31 -0.21 0.00 0.00 0.00 0.00 175.10 173.53 2awt s ALA 23 N 0.99 2.13 0.12 5.51 0.00 -1.24 -1.21 121.76 128.06 2awt s ALA 23 Ca 0.29 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 2awt s ALA 23 Cb -0.07 -0.94 -0.07 0.00 0.00 0.00 0.00 23.12 22.04 2awt s ALA 23 CO -0.08 0.00 0.54 0.20 0.00 0.00 0.00 175.76 176.43 2awt s GLY 24 N 0.78 2.50 0.55 0.00 0.00 0.10 -3.13 107.32 108.13 2awt s GLY 24 Ca -0.09 -0.11 0.37 0.00 0.00 0.00 0.00 44.72 44.89 2awt s GLY 24 CO -0.00 0.20 2.13 0.06 0.00 0.00 0.00 173.10 175.48 2awt h GLN 25 N 3.79 0.00 0.00 2.90 3.07 -1.86 -3.10 115.11 119.90 2awt h GLN 25 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 2awt h GLN 25 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 2awt h GLN 25 CO 0.65 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 176.10 2awt n ASP 26 N -2.80 0.00 -2.70 0.06 -0.08 -1.26 -4.62 116.55 105.16 2awt n ASP 26 Ca -0.02 0.36 -0.06 0.00 -1.51 0.00 0.00 54.79 53.55 2awt n ASP 26 Cb 0.06 -0.33 0.09 0.00 2.34 0.00 0.00 41.12 43.28 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2awt n GLY 27 N 2.01 0.14 3.05 0.27 0.00 -1.20 -2.39 105.19 107.08 2awt n GLY 27 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2awt n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2awt s SER 28 N -0.84 0.77 -0.30 1.61 0.15 -1.18 -4.91 113.70 109.00 2awt s SER 28 Ca 0.19 -0.55 -0.13 0.00 0.70 0.00 0.00 55.95 56.16 2awt s SER 28 Cb 0.28 0.05 0.18 0.00 -1.71 0.00 0.00 66.02 64.82 2awt s SER 28 CO -0.09 -0.22 1.02 0.54 1.20 0.00 0.00 173.24 175.69 2awt s VAL 29 N -1.42 -0.41 0.01 4.45 0.11 -1.22 -0.72 120.40 121.21 2awt s VAL 29 Ca -0.11 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.87 2awt s VAL 29 Cb -0.10 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.75 2awt s VAL 29 CO 0.00 0.00 0.13 -0.69 -3.33 0.00 0.00 175.10 171.22 2awt s VAL 30 N 2.75 0.09 0.03 2.04 1.01 -0.35 -4.93 120.40 121.05 2awt s VAL 30 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.29 2awt s VAL 30 Cb -0.09 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 2awt s VAL 30 CO -0.14 -0.42 -0.14 0.00 0.00 0.00 0.00 175.10 174.40 2awt s GLN 31 N -1.61 2.21 0.09 2.72 -2.07 -1.26 -0.07 119.66 119.67 2awt s GLN 31 Ca -0.13 -0.91 -0.13 0.00 -1.82 0.00 0.00 55.36 52.37 2awt s GLN 31 Cb -0.07 -2.28 0.02 0.00 -1.09 0.00 0.00 33.01 29.59 2awt s GLN 31 CO 0.01 0.56 0.30 -0.06 -1.32 0.00 0.00 175.29 174.77 2awt s PHE 32 N -0.96 -0.05 -0.04 9.60 0.40 -1.16 -4.99 117.98 120.77 2awt s PHE 32 Ca 0.16 -0.24 0.05 0.00 -0.60 0.00 0.00 56.93 56.30 2awt s PHE 32 Cb -0.11 0.10 -0.01 0.00 0.51 0.00 0.00 43.02 43.52 2awt s PHE 32 CO 0.06 -0.58 -0.20 0.21 0.70 0.00 0.00 175.22 175.41 2awt s LYS 33 N -3.41 2.00 0.24 0.44 2.36 -1.26 -3.11 119.74 116.99 2awt s LYS 33 Ca 0.01 -0.71 -0.22 0.00 -2.55 0.00 0.00 55.97 52.50 2awt s LYS 33 Cb 0.02 -1.74 0.04 0.00 -1.05 0.00 0.00 37.83 35.10 2awt s LYS 33 CO -0.09 0.30 0.71 -1.50 1.55 0.00 0.00 175.35 176.32 2awt s ILE 34 N -0.07 0.00 0.00 5.43 2.07 -1.22 -5.04 121.20 122.38 2awt s ILE 34 Ca -0.03 -0.72 0.00 0.00 -1.41 0.00 0.00 60.65 58.49 2awt s ILE 34 Cb -0.12 -1.74 0.00 0.00 0.13 0.00 0.00 42.46 40.73 2awt s ILE 34 CO 0.02 0.00 0.00 0.29 -1.91 0.00 0.00 174.94 173.34 2awt n LYS 35 N -0.44 -1.27 -0.01 3.50 5.02 -1.26 -0.61 118.16 123.10 2awt n LYS 35 Ca -0.07 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.32 2awt n LYS 35 Cb 0.61 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.47 2awt n LYS 35 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2awt n ARG 36 N -1.56 0.48 -2.84 1.97 0.63 -1.26 -4.22 116.66 109.86 2awt n ARG 36 Ca 0.00 -0.13 -0.28 0.00 -0.92 0.00 0.00 57.85 56.52 2awt n ARG 36 Cb 0.00 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.38 2awt n ARG 36 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2awt n HIS 37 N -1.98 3.87 -4.83 -0.14 -0.00 -1.26 -2.33 115.22 108.55 2awt n HIS 37 Ca -0.01 -3.75 -0.30 0.00 0.46 0.00 0.00 57.72 54.12 2awt n HIS 37 Cb 0.48 -0.49 -0.14 0.00 -0.12 0.00 0.00 29.99 29.72 2awt n HIS 37 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 2awt s THR 38 N -4.63 2.21 0.05 3.57 -1.32 -1.26 -5.06 115.64 109.19 2awt s THR 38 Ca 0.48 -1.42 -0.31 0.00 -1.21 0.00 0.00 61.69 59.23 2awt s THR 38 Cb 0.29 -1.88 -0.07 0.00 -1.51 0.00 0.00 72.50 69.34 2awt s THR 38 CO -0.15 0.33 1.41 -2.16 -2.21 0.00 0.00 174.62 171.84 2awt s PRO 39 N -1.36 4.30 0.60 7.08 0.04 -1.26 -4.40 135.00 139.99 2awt s PRO 39 Ca 0.12 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.48 2awt s PRO 39 Cb -0.10 -3.45 1.43 0.00 0.04 0.00 0.00 34.50 32.42 2awt s PRO 39 CO 0.03 -0.52 1.83 -0.07 0.04 0.00 0.00 177.00 178.31 2awt h LEU 40 N 7.73 0.00 -2.11 -3.56 3.38 -1.80 0.20 115.31 119.15 2awt h LEU 40 Ca -0.40 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.65 2awt h LEU 40 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2awt h LEU 40 CO 0.89 0.00 0.31 0.77 0.09 0.00 0.00 178.44 180.50 2awt h SER 41 N 0.00 0.00 0.02 -0.43 4.64 -1.90 -0.43 113.55 115.45 2awt h SER 41 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2awt h SER 41 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 2awt h SER 41 CO -0.00 0.00 -0.14 0.11 -0.87 0.00 0.00 176.83 175.93 2awt h LYS 42 N 0.00 -0.18 0.01 4.77 1.79 -0.97 0.31 116.57 122.29 2awt h LYS 42 Ca 0.14 0.01 -0.21 0.00 -2.18 0.00 0.00 60.65 58.41 2awt h LYS 42 Cb 0.76 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 2awt h LYS 42 CO -0.00 -0.12 -0.92 1.37 -1.08 0.00 0.00 179.45 178.70 2awt h LEU 43 N -0.19 0.36 0.26 2.94 -0.00 -1.73 -3.01 115.31 113.95 2awt h LEU 43 Ca -0.00 -0.29 -0.01 0.00 -0.00 0.00 0.00 57.88 57.57 2awt h LEU 43 Cb 0.19 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2awt h LEU 43 CO -0.08 1.10 -0.16 -0.03 -0.00 0.00 0.00 178.44 179.28 2awt h MET 44 N 0.15 -0.38 -0.76 0.17 4.05 -0.99 0.25 114.93 117.42 2awt h MET 44 Ca -0.06 0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.54 2awt h MET 44 Cb 1.56 0.09 -0.10 0.00 -0.80 0.00 0.00 31.60 32.35 2awt h MET 44 CO 0.15 -0.25 0.28 0.87 0.23 0.00 0.00 176.91 178.19 2awt h LYS 45 N -0.39 0.39 -0.43 0.39 1.57 -0.52 -0.75 116.57 116.83 2awt h LYS 45 Ca -0.04 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2awt h LYS 45 Cb 0.31 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2awt h LYS 45 CO 0.04 0.26 0.28 0.00 -0.57 0.00 0.00 179.45 179.46 2awt h ALA 46 N 1.57 0.55 -0.30 3.86 0.00 -1.42 -2.88 119.26 120.64 2awt h ALA 46 Ca 0.42 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.38 2awt h ALA 46 Cb 0.68 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2awt h ALA 46 CO -0.43 -0.01 -0.27 -0.92 0.00 0.00 0.00 179.25 177.61 2awt h TYR 47 N 0.57 -0.73 -0.52 0.00 3.20 0.10 -1.55 116.97 118.04 2awt h TYR 47 Ca 0.16 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.18 2awt h TYR 47 Cb -0.05 0.37 -0.09 0.00 1.54 0.00 0.00 36.73 38.50 2awt h TYR 47 CO -0.05 -0.34 -0.04 0.00 -1.64 0.00 0.00 178.16 176.08 2awt h GLU 49 N 0.08 0.18 0.00 0.00 4.57 -1.09 0.44 114.58 118.76 2awt h GLU 49 Ca 0.26 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2awt h GLU 49 Cb 0.40 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2awt h GLU 49 CO -0.47 0.12 -0.04 -0.09 -1.18 0.00 0.00 179.01 177.35 2awt h ARG 50 N 0.19 0.00 -2.36 1.92 1.12 -0.35 -3.42 114.38 111.48 2awt h ARG 50 Ca 0.47 0.00 -0.66 0.00 -1.11 0.00 0.00 59.98 58.68 2awt h ARG 50 Cb 1.54 0.00 -0.38 0.00 -0.01 0.00 0.00 29.97 31.12 2awt h ARG 50 CO -0.10 0.00 -0.15 1.04 -3.11 0.00 0.00 179.97 177.65 2awt n GLN 51 N -2.51 3.48 -1.91 0.20 6.02 0.35 -4.96 117.38 118.04 2awt n GLN 51 Ca -0.01 -4.71 -0.42 0.00 -0.01 0.00 0.00 57.00 51.85 2awt n GLN 51 Cb 0.02 -2.33 0.00 0.00 1.02 0.00 0.00 30.24 28.96 2awt n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2awt n GLY 52 N 0.49 4.39 1.25 1.08 0.00 0.15 -4.57 105.19 107.98 2awt n GLY 52 Ca 0.32 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.73 2awt n GLY 52 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2awt n LEU 53 N 5.75 4.45 -3.30 0.99 -0.00 -1.26 -4.87 117.00 118.77 2awt n LEU 53 Ca 0.49 -2.82 0.03 0.00 -0.00 0.00 0.00 56.01 53.70 2awt n LEU 53 Cb 0.39 -0.56 -0.02 0.00 -0.00 0.00 0.00 43.42 43.23 2awt n LEU 53 CO 0.87 0.69 0.19 -0.44 -0.00 0.00 0.00 177.39 178.70 2awt s SER 54 N -1.39 -1.31 -0.03 1.45 0.01 -1.26 -4.94 113.70 106.23 2awt s SER 54 Ca 0.45 1.08 0.15 0.00 1.31 0.00 0.00 55.95 58.94 2awt s SER 54 Cb 0.34 2.20 -0.21 0.00 0.21 0.00 0.00 66.02 68.57 2awt s SER 54 CO 0.14 -0.25 0.63 0.23 0.41 0.00 0.00 173.24 174.40 2awt n MET 55 N 5.43 0.64 -0.40 12.44 2.81 -1.26 -4.31 117.12 132.46 2awt n MET 55 Ca -0.04 0.22 0.06 0.00 -1.81 0.00 0.00 57.70 56.13 2awt n MET 55 Cb 0.50 -1.75 0.11 0.00 -0.71 0.00 0.00 33.22 31.37 2awt n MET 55 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2awt n ARG 56 N -2.93 0.89 -1.47 0.03 1.74 -1.26 -4.71 116.66 108.94 2awt n ARG 56 Ca -0.16 -2.25 0.02 0.00 -0.77 0.00 0.00 57.85 54.69 2awt n ARG 56 Cb 0.99 -1.13 0.07 0.00 -1.02 0.00 0.00 32.46 31.37 2awt n ARG 56 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2awt n GLN 57 N -0.84 0.81 -3.93 5.56 -0.06 -1.26 -5.03 117.38 112.62 2awt n GLN 57 Ca 0.12 -2.63 -0.29 0.00 -2.00 0.00 0.00 57.00 52.20 2awt n GLN 57 Cb 0.71 -0.73 -0.16 0.00 -4.06 0.00 0.00 30.24 26.00 2awt n GLN 57 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2awt s ILE 58 N -1.53 1.29 -0.25 1.69 -1.09 -1.26 -3.91 121.20 116.14 2awt s ILE 58 Ca 0.35 -0.68 -0.12 0.00 -2.23 0.00 0.00 60.65 57.97 2awt s ILE 58 Cb 0.38 -1.38 0.09 0.00 -1.58 0.00 0.00 42.46 39.96 2awt s ILE 58 CO -0.12 0.21 0.59 0.00 -1.23 0.00 0.00 174.94 174.40 2awt s ARG 59 N 1.57 0.57 -0.11 2.79 1.70 -1.26 -5.03 118.95 119.18 2awt s ARG 59 Ca 0.01 1.17 -0.30 0.00 -0.47 0.00 0.00 55.73 56.15 2awt s ARG 59 Cb -0.15 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.51 2awt s ARG 59 CO -0.08 -0.17 1.12 -0.06 -1.08 0.00 0.00 175.30 175.02 2awt s PHE 60 N 1.99 3.27 0.21 5.89 0.08 -1.26 -3.13 117.98 125.03 2awt s PHE 60 Ca -0.08 1.35 -0.11 0.00 0.12 0.00 0.00 56.93 58.20 2awt s PHE 60 Cb -0.08 -3.33 -0.00 0.00 -0.57 0.00 0.00 43.02 39.03 2awt s PHE 60 CO -0.18 -0.89 0.40 -0.98 -0.10 0.00 0.00 175.22 173.48 2awt s ARG 61 N 2.47 1.38 0.43 0.44 1.70 -1.13 -2.71 118.95 121.54 2awt s ARG 61 Ca 0.51 -1.20 0.04 0.00 -0.47 0.00 0.00 55.73 54.62 2awt s ARG 61 Cb -0.21 0.44 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 2awt s ARG 61 CO 0.17 -0.55 0.14 -0.59 -1.08 0.00 0.00 175.30 173.39 2awt s PHE 62 N -3.99 1.78 -1.15 5.89 -0.71 -1.18 -0.78 117.98 117.84 2awt s PHE 62 Ca 0.20 -1.34 -0.11 0.00 -1.04 0.00 0.00 56.93 54.64 2awt s PHE 62 Cb 0.01 -1.16 -0.07 0.00 -1.21 0.00 0.00 43.02 40.60 2awt s PHE 62 CO 0.05 -0.34 2.31 -0.25 -1.34 0.00 0.00 175.22 175.65 2awt n ASP 63 N -1.46 5.27 0.00 1.98 8.00 -1.26 -3.08 116.55 126.01 2awt n ASP 63 Ca -0.07 -2.53 0.00 0.00 0.71 0.00 0.00 54.79 52.90 2awt n ASP 63 Cb 0.65 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 2awt n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2awt n GLY 64 N 3.92 0.11 0.00 0.44 0.00 -1.26 -5.16 105.19 103.23 2awt n GLY 64 Ca 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2awt n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2awt n GLN 65 N -0.79 0.00 -1.11 1.61 10.64 -1.18 -5.18 117.38 121.38 2awt n GLN 65 Ca 0.00 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.87 2awt n GLN 65 Cb 0.00 0.00 0.22 0.00 -0.86 0.00 0.00 30.24 29.60 2awt n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2awt s PRO 66 N -2.00 -0.73 0.05 2.61 0.04 -1.26 -3.10 135.00 130.61 2awt s PRO 66 Ca 0.00 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.16 2awt s PRO 66 Cb 0.00 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 2awt s PRO 66 CO 0.00 -3.42 -0.07 0.42 0.04 0.00 0.00 177.00 173.97 2awt s ILE 67 N -2.99 0.48 -0.03 0.56 1.01 -1.10 -4.89 121.20 114.23 2awt s ILE 67 Ca 0.69 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 60.17 2awt s ILE 67 Cb -0.13 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 2awt s ILE 67 CO 0.57 -0.49 -0.05 0.20 0.00 0.00 0.00 174.94 175.16 2awt s ASN 68 N -1.80 4.73 0.25 3.58 0.01 -1.26 -4.69 114.94 115.76 2awt s ASN 68 Ca -0.08 -0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 51.97 2awt s ASN 68 Cb -0.07 -1.16 0.48 0.00 0.41 0.00 0.00 41.25 40.90 2awt s ASN 68 CO -0.01 0.32 1.73 1.05 -1.51 0.00 0.00 177.10 178.68 2awt h GLU 69 N 4.79 0.46 -0.65 -0.60 4.11 -1.99 -0.73 114.58 119.97 2awt h GLU 69 Ca -0.49 -0.03 0.03 0.00 0.07 0.00 0.00 59.36 58.94 2awt h GLU 69 Cb 1.17 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 2awt h GLU 69 CO 0.54 0.30 0.40 1.15 0.07 0.00 0.00 179.01 181.47 2awt h THR 70 N 0.47 1.08 -3.93 -1.06 2.02 -2.01 -3.36 112.91 106.13 2awt h THR 70 Ca 0.42 -0.27 -0.54 0.00 0.77 0.00 0.00 66.41 66.79 2awt h THR 70 Cb 0.64 0.23 0.12 0.00 -1.74 0.00 0.00 68.15 67.39 2awt h THR 70 CO -0.40 0.14 0.74 0.47 0.37 0.00 0.00 175.52 176.85 2awt n ASP 71 N -4.70 3.61 -4.87 4.18 8.00 -0.28 -4.95 116.55 117.54 2awt n ASP 71 Ca 0.06 1.19 -0.22 0.00 0.71 0.00 0.00 54.79 56.53 2awt n ASP 71 Cb 0.08 -1.61 -0.04 0.00 -0.02 0.00 0.00 41.12 39.53 2awt n ASP 71 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2awt s THR 72 N -1.15 4.70 -1.03 -3.53 -4.23 -1.26 -4.54 115.64 104.60 2awt s THR 72 Ca 0.56 -1.24 0.14 0.00 -1.18 0.00 0.00 61.69 59.97 2awt s THR 72 Cb -0.47 -3.53 0.13 0.00 1.34 0.00 0.00 72.50 69.97 2awt s THR 72 CO 0.61 -0.32 1.45 -0.81 -0.54 0.00 0.00 174.62 175.02 2awt n PRO 73 N -1.16 0.01 -0.06 3.99 -0.04 -1.26 -2.97 135.00 133.51 2awt n PRO 73 Ca -0.08 0.25 -0.14 0.00 -0.04 0.00 0.00 63.50 63.49 2awt n PRO 73 Cb 0.57 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 2awt n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2awt h ALA 74 N 2.50 0.28 -0.59 0.55 0.00 -1.83 -2.88 119.26 117.30 2awt h ALA 74 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2awt h ALA 74 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2awt h ALA 74 CO 0.00 0.28 0.02 0.94 0.00 0.00 0.00 179.25 180.49 2awt n GLN 75 N -4.39 4.83 -0.00 0.00 -0.06 -1.16 -4.10 117.38 112.50 2awt n GLN 75 Ca -0.06 -3.15 0.02 0.00 -2.00 0.00 0.00 57.00 51.81 2awt n GLN 75 Cb 0.45 -2.27 -0.03 0.00 -4.06 0.00 0.00 30.24 24.33 2awt n GLN 75 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2awt n LEU 76 N 0.56 0.00 -3.12 1.69 4.77 -1.19 -4.99 117.00 114.72 2awt n LEU 76 Ca 0.29 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 2awt n LEU 76 Cb 1.22 0.01 0.08 0.00 -2.33 0.00 0.00 43.42 42.40 2awt n LEU 76 CO 0.34 0.01 0.09 -0.62 -1.33 0.00 0.00 177.39 175.88 2awt n GLU 77 N -1.70 -5.63 -2.46 3.23 1.02 -1.09 -4.95 120.64 109.06 2awt n GLU 77 Ca -0.01 0.74 -0.31 0.00 -0.02 0.00 0.00 57.16 57.56 2awt n GLU 77 Cb 0.17 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.15 2awt n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2awt n MET 78 N -3.71 3.40 -1.29 3.49 0.00 -1.24 -5.02 117.12 112.75 2awt n MET 78 Ca -0.25 -4.38 0.00 0.00 0.00 0.00 0.00 57.70 53.08 2awt n MET 78 Cb 0.65 -2.27 0.00 0.00 0.00 0.00 0.00 33.22 31.60 2awt n MET 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2awt n GLU 79 N -0.42 2.55 -3.27 3.17 1.02 -1.26 -4.44 120.64 117.99 2awt n GLU 79 Ca 0.41 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.39 2awt n GLU 79 Cb 0.49 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.99 2awt n GLU 79 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2awt n ASP 80 N -0.80 -2.81 -2.78 1.62 -0.08 -1.26 -2.82 116.55 107.62 2awt n ASP 80 Ca 0.00 -0.51 -0.18 0.00 -1.51 0.00 0.00 54.79 52.59 2awt n ASP 80 Cb 0.00 -4.43 0.06 0.00 2.34 0.00 0.00 41.12 39.09 2awt n ASP 80 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2awt n GLU 81 N -3.81 -5.87 -2.41 -0.67 1.02 -1.17 -4.96 120.64 102.77 2awt n GLU 81 Ca -0.19 0.61 -0.42 0.00 -0.02 0.00 0.00 57.16 57.14 2awt n GLU 81 Cb 0.63 -5.00 -0.03 0.00 -0.02 0.00 0.00 31.44 27.02 2awt n GLU 81 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2awt s ASP 82 N -3.26 7.09 -0.36 1.62 -1.08 -1.13 -4.78 116.67 114.78 2awt s ASP 82 Ca 0.42 2.10 -0.11 0.00 -0.52 0.00 0.00 52.55 54.45 2awt s ASP 82 Cb -0.19 -2.59 0.02 0.00 -1.46 0.00 0.00 42.92 38.70 2awt s ASP 82 CO 0.54 -0.42 0.20 -0.89 0.52 0.00 0.00 175.17 175.12 2awt s THR 83 N 0.57 4.67 -0.49 1.71 2.01 -1.26 -0.91 115.64 121.93 2awt s THR 83 Ca 0.56 -0.69 -0.23 0.00 0.31 0.00 0.00 61.69 61.64 2awt s THR 83 Cb -0.31 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 68.71 2awt s THR 83 CO 0.32 -0.15 0.80 -0.63 -0.69 0.00 0.00 174.62 174.27 2awt s ILE 84 N 1.59 4.62 -0.03 1.82 -1.09 -0.22 -4.91 121.20 122.97 2awt s ILE 84 Ca 0.03 0.18 -0.30 0.00 -2.23 0.00 0.00 60.65 58.34 2awt s ILE 84 Cb -0.18 -4.38 -0.05 0.00 -1.58 0.00 0.00 42.46 36.26 2awt s ILE 84 CO 0.07 -0.86 1.47 -1.81 -1.23 0.00 0.00 174.94 172.58 2awt s ASP 85 N 2.46 6.79 0.47 3.58 1.01 0.04 -3.65 116.67 127.38 2awt s ASP 85 Ca 0.27 2.11 -0.16 0.00 0.71 0.00 0.00 52.55 55.48 2awt s ASP 85 Cb -0.14 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.16 2awt s ASP 85 CO 0.19 -0.80 0.92 0.54 0.21 0.00 0.00 175.17 176.23 2awt s VAL 86 N 3.04 4.58 -0.29 -1.27 0.11 -1.18 -2.82 120.40 122.57 2awt s VAL 86 Ca 0.66 1.10 -0.00 0.00 -2.93 0.00 0.00 61.98 60.80 2awt s VAL 86 Cb -0.31 -3.70 0.06 0.00 -1.53 0.00 0.00 36.38 30.89 2awt s VAL 86 CO 0.26 -0.58 -0.02 0.12 -3.33 0.00 0.00 175.10 171.55 2awt s PHE 87 N -2.48 3.30 0.23 1.54 5.36 -1.18 -3.99 117.98 120.76 2awt s PHE 87 Ca 0.57 -2.08 -0.18 0.00 -0.96 0.00 0.00 56.93 54.28 2awt s PHE 87 Cb -0.10 -2.14 0.02 0.00 -0.34 0.00 0.00 43.02 40.46 2awt s PHE 87 CO 0.28 -0.84 0.57 1.14 -1.46 0.00 0.00 175.22 174.92 2awt s GLN 88 N 1.19 1.52 -0.30 10.12 1.03 -1.25 -4.04 119.66 127.92 2awt s GLN 88 Ca -0.05 -0.96 -0.15 0.00 0.04 0.00 0.00 55.36 54.25 2awt s GLN 88 Cb -0.20 0.54 0.17 0.00 0.03 0.00 0.00 33.01 33.55 2awt s GLN 88 CO -0.03 -0.66 1.11 -1.14 -2.54 0.00 0.00 175.29 172.03 2awt s GLN 89 N -3.91 0.13 0.00 9.60 2.00 -1.26 -4.91 119.66 121.31 2awt s GLN 89 Ca 0.12 0.23 0.00 0.00 -2.00 0.00 0.00 55.36 53.71 2awt s GLN 89 Cb -0.02 0.13 0.00 0.00 0.80 0.00 0.00 33.01 33.92 2awt s GLN 89 CO 0.02 -0.15 0.00 1.04 -0.50 0.00 0.00 175.29 175.70 2awt n GLN 90 N 5.48 0.00 0.00 1.67 3.00 -1.26 -5.05 117.38 121.22 2awt n GLN 90 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2awt n GLN 90 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.78 2awt n GLN 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2awt n THR 91 N -1.81 0.00 -3.65 5.09 -2.24 -1.26 -5.12 114.28 105.29 2awt n THR 91 Ca 0.00 0.29 -0.04 0.00 -2.27 0.00 0.00 64.05 62.03 2awt n THR 91 Cb 0.00 -1.13 0.02 0.00 -2.10 0.00 0.00 70.33 67.12 2awt n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2awt n GLY 92 N 2.03 1.03 3.22 3.38 0.00 -1.26 -5.18 105.19 108.41 2awt n GLY 92 Ca 0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 2awt n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2awt s GLY 93 N -2.70 -0.15 -0.50 -0.02 0.00 -1.26 -4.87 107.32 97.82 2awt s GLY 93 Ca 0.13 0.38 0.08 0.00 0.00 0.00 0.00 44.72 45.31 2awt s GLY 93 CO 0.05 0.19 0.76 -0.62 0.00 0.00 0.00 173.10 173.49 2awt n VAL 94 N 1.59 1.34 1.94 1.40 0.31 -1.16 -4.99 118.33 118.76 2awt n VAL 94 Ca -0.20 -4.94 0.16 0.00 -0.01 0.00 0.00 64.34 59.35 2awt n VAL 94 Cb 0.56 -1.40 0.90 0.00 -0.91 0.00 0.00 33.84 32.99 2awt n VAL 94 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51