#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 1.30 -0.72 3.04 0.00 -1.26 -5.06 121.76 119.06 2awt s ALA 2 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.47 2awt s ALA 2 Cb 0.00 -0.90 0.27 0.00 0.00 0.00 0.00 23.12 22.49 2awt s ALA 2 CO 0.00 -0.41 0.94 -0.40 0.00 0.00 0.00 175.76 175.89 2awt n ASP 3 N 4.94 4.46 -4.77 0.00 5.75 -1.26 -5.07 116.55 120.60 2awt n ASP 3 Ca -0.12 -3.48 -0.39 0.00 -0.01 0.00 0.00 54.79 50.78 2awt n ASP 3 Cb 0.50 -0.78 -0.01 0.00 -1.03 0.00 0.00 41.12 39.80 2awt n ASP 3 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2awt s GLU 4 N -2.74 4.12 -0.67 0.11 2.12 -1.26 -4.98 118.70 115.39 2awt s GLU 4 Ca 0.40 2.06 0.05 0.00 0.36 0.00 0.00 54.97 57.84 2awt s GLU 4 Cb 0.15 -2.83 0.27 0.00 0.26 0.00 0.00 34.13 31.98 2awt s GLU 4 CO -0.01 -0.34 0.86 1.63 -0.54 0.00 0.00 175.26 176.86 2awt n LYS 5 N 0.33 2.85 -2.09 4.30 5.02 -1.26 -4.84 118.16 122.47 2awt n LYS 5 Ca 0.03 -4.70 -0.43 0.00 -2.02 0.00 0.00 58.31 51.19 2awt n LYS 5 Cb 0.44 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.14 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2awt s PRO 6 N -2.68 3.34 -0.50 1.97 0.04 -1.26 -4.90 135.00 131.01 2awt s PRO 6 Ca 0.40 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.75 2awt s PRO 6 Cb 0.16 -4.17 0.38 0.00 0.04 0.00 0.00 34.50 30.91 2awt s PRO 6 CO -0.02 -1.85 1.01 0.36 0.04 0.00 0.00 177.00 176.54 2awt n LYS 7 N 8.40 3.16 -4.30 4.56 2.85 -1.26 -4.95 118.16 126.62 2awt n LYS 7 Ca 0.21 -4.60 -0.16 0.00 -1.05 0.00 0.00 58.31 52.72 2awt n LYS 7 Cb 0.47 -2.19 -0.10 0.00 -0.65 0.00 0.00 35.03 32.56 2awt n LYS 7 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2awt s GLU 8 N -3.45 1.36 0.00 -1.58 0.41 -1.26 -5.08 118.70 109.10 2awt s GLU 8 Ca 0.47 -1.72 0.00 0.00 -0.41 0.00 0.00 54.97 53.31 2awt s GLU 8 Cb 0.34 -0.21 0.00 0.00 -1.78 0.00 0.00 34.13 32.48 2awt s GLU 8 CO -0.15 -0.29 0.00 0.41 -0.49 0.00 0.00 175.26 174.74 2awt n GLY 9 N -0.42 -0.21 1.74 -1.39 0.00 -1.26 -5.03 105.19 98.62 2awt n GLY 9 Ca -0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 2awt n GLY 9 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2awt n VAL 10 N 0.86 2.07 -3.84 1.61 0.24 -1.26 -5.05 118.33 112.95 2awt n VAL 10 Ca 0.00 -3.53 -0.06 0.00 -2.04 0.00 0.00 64.34 58.70 2awt n VAL 10 Cb 0.00 -0.38 0.03 0.00 -1.47 0.00 0.00 33.84 32.02 2awt n VAL 10 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2awt n LYS 11 N -0.71 0.92 -3.71 7.34 -0.00 -1.26 -5.17 118.16 115.58 2awt n LYS 11 Ca 0.29 -1.90 -0.13 0.00 -0.00 0.00 0.00 58.31 56.57 2awt n LYS 11 Cb 0.89 2.44 -0.14 0.00 -0.00 0.00 0.00 35.03 38.22 2awt n LYS 11 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2awt s THR 12 N -2.08 -0.17 1.11 0.58 -4.23 -1.26 -5.16 115.64 104.43 2awt s THR 12 Ca 0.19 0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.73 2awt s THR 12 Cb -0.04 -0.37 0.27 0.00 1.34 0.00 0.00 72.50 73.71 2awt s THR 12 CO 0.09 0.09 1.00 -0.62 -0.54 0.00 0.00 174.62 174.64 2awt n GLU 13 N 4.66 -2.87 -2.14 3.99 -0.58 -1.26 -4.93 120.64 117.51 2awt n GLU 13 Ca -0.18 -1.60 -0.39 0.00 -0.42 0.00 0.00 57.16 54.57 2awt n GLU 13 Cb 0.51 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.92 2awt n GLU 13 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2awt n ASN 14 N -4.66 7.40 0.00 1.62 3.02 -1.26 -4.67 115.26 116.72 2awt n ASN 14 Ca 0.14 -3.61 0.00 0.00 -0.03 0.00 0.00 54.58 51.08 2awt n ASN 14 Cb 0.53 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.54 2awt n ASN 14 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2awt n ASN 15 N 0.13 0.00 -3.81 6.41 4.13 -1.26 -5.13 115.26 115.74 2awt n ASN 15 Ca 0.52 0.01 -0.05 0.00 1.68 0.00 0.00 54.58 56.74 2awt n ASN 15 Cb 0.29 -0.15 -0.02 0.00 -1.54 0.00 0.00 39.78 38.36 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 -1.90 -0.22 -0.31 6.41 1.01 -1.26 -4.95 116.67 115.44 2awt s ASP 16 Ca 0.00 -0.52 0.05 0.00 0.71 0.00 0.00 52.55 52.80 2awt s ASP 16 Cb 0.00 0.62 0.19 0.00 1.01 0.00 0.00 42.92 44.73 2awt s ASP 16 CO 0.00 -1.14 0.55 -1.38 0.21 0.00 0.00 175.17 173.41 2awt s HIS 17 N -3.61 -1.62 0.12 4.23 -3.43 -1.26 -4.08 115.29 105.64 2awt s HIS 17 Ca 0.12 0.72 0.02 0.00 -0.80 0.00 0.00 55.06 55.12 2awt s HIS 17 Cb -0.04 0.20 0.02 0.00 -1.43 0.00 0.00 32.58 31.33 2awt s HIS 17 CO 0.05 -1.08 0.16 0.44 -2.00 0.00 0.00 174.74 172.30 2awt n ILE 18 N 5.19 0.00 -4.43 -5.38 -5.35 0.91 -4.94 119.36 105.36 2awt n ILE 18 Ca 0.05 -0.43 -0.20 0.00 -0.27 0.00 0.00 62.75 61.91 2awt n ILE 18 Cb 0.53 -0.79 -0.15 0.00 -1.74 0.00 0.00 39.64 37.50 2awt n ILE 18 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2awt s ASN 19 N -1.76 1.21 0.03 7.28 2.47 -1.26 -3.23 114.94 119.68 2awt s ASN 19 Ca 0.12 -0.19 -0.03 0.00 0.42 0.00 0.00 52.86 53.18 2awt s ASN 19 Cb -0.01 -0.19 -0.02 0.00 -1.45 0.00 0.00 41.25 39.58 2awt s ASN 19 CO 0.07 0.11 0.03 -0.76 -3.72 0.00 0.00 177.10 172.83 2awt s LEU 20 N -0.12 2.09 -0.21 3.21 1.02 -0.32 -3.24 118.68 121.10 2awt s LEU 20 Ca 0.02 -0.58 0.01 0.00 0.02 0.00 0.00 54.13 53.59 2awt s LEU 20 Cb -0.05 0.33 0.05 0.00 0.02 0.00 0.00 46.19 46.54 2awt s LEU 20 CO -0.00 -0.43 -0.07 -0.54 0.02 0.00 0.00 176.35 175.32 2awt s LYS 21 N -2.31 1.77 -0.88 1.70 1.02 -0.34 -0.31 119.74 120.38 2awt s LYS 21 Ca -0.08 -0.89 -0.20 0.00 0.02 0.00 0.00 55.97 54.82 2awt s LYS 21 Cb -0.03 -2.47 0.12 0.00 -0.52 0.00 0.00 37.83 34.92 2awt s LYS 21 CO -0.04 -0.52 1.11 0.08 -0.92 0.00 0.00 175.35 175.06 2awt s VAL 22 N 1.41 4.63 -0.20 3.17 1.01 0.76 -0.98 120.40 130.21 2awt s VAL 22 Ca -0.04 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.62 2awt s VAL 22 Cb -0.18 -4.77 0.04 0.00 0.00 0.00 0.00 36.38 31.48 2awt s VAL 22 CO -0.07 -1.51 -0.10 0.00 0.00 0.00 0.00 175.10 173.42 2awt s ALA 23 N 3.01 2.00 0.30 5.51 0.00 -1.19 -1.10 121.76 130.30 2awt s ALA 23 Ca 0.31 -1.21 -0.28 0.00 0.00 0.00 0.00 51.96 50.78 2awt s ALA 23 Cb -0.07 -1.29 -0.09 0.00 0.00 0.00 0.00 23.12 21.67 2awt s ALA 23 CO -0.06 -0.84 1.00 0.20 0.00 0.00 0.00 175.76 176.06 2awt s GLY 24 N 1.40 2.94 0.52 0.00 0.00 -0.42 -3.13 107.32 108.62 2awt s GLY 24 Ca -0.01 0.66 0.34 0.00 0.00 0.00 0.00 44.72 45.71 2awt s GLY 24 CO -0.08 1.17 2.06 -1.61 0.00 0.00 0.00 173.10 174.64 2awt h GLN 25 N 3.46 0.00 0.00 2.90 -0.00 -1.86 -3.08 115.11 116.53 2awt h GLN 25 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 2awt h GLN 25 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.68 2awt h GLN 25 CO 0.66 0.00 0.00 -3.47 0.00 0.00 0.00 178.83 176.02 2awt n ASP 26 N -2.72 0.00 -2.70 -0.69 2.03 -1.26 -4.92 116.55 106.29 2awt n ASP 26 Ca -0.02 0.41 -0.07 0.00 0.52 0.00 0.00 54.79 55.63 2awt n ASP 26 Cb 0.06 -0.36 0.10 0.00 -0.72 0.00 0.00 41.12 40.20 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2awt n GLY 27 N 1.87 -0.13 3.05 0.27 0.00 -1.20 -4.02 105.19 105.04 2awt n GLY 27 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.85 0.19 -0.30 1.61 0.15 -1.17 -3.20 113.70 110.14 2awt s SER 28 Ca 0.21 -0.48 -0.14 0.00 0.70 0.00 0.00 55.95 56.23 2awt s SER 28 Cb 0.29 0.17 0.18 0.00 -1.71 0.00 0.00 66.02 64.94 2awt s SER 28 CO -0.10 -0.40 1.09 0.54 1.20 0.00 0.00 173.24 175.57 2awt s VAL 29 N -1.94 -0.26 -0.15 4.45 0.11 -1.22 -1.30 120.40 120.09 2awt s VAL 29 Ca -0.11 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.85 2awt s VAL 29 Cb -0.06 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.85 2awt s VAL 29 CO -0.02 0.00 0.37 -0.69 -3.33 0.00 0.00 175.10 171.43 2awt s VAL 30 N 2.95 -0.02 0.36 2.04 1.01 -0.26 -4.93 120.40 121.54 2awt s VAL 30 Ca -0.03 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.82 2awt s VAL 30 Cb -0.10 -0.54 -0.10 0.00 0.00 0.00 0.00 36.38 35.64 2awt s VAL 30 CO -0.10 0.04 0.89 -1.10 0.00 0.00 0.00 175.10 174.83 2awt s GLN 31 N 1.18 4.32 0.11 2.72 -0.21 -1.26 -0.17 119.66 126.35 2awt s GLN 31 Ca -0.08 1.10 -0.12 0.00 0.02 0.00 0.00 55.36 56.28 2awt s GLN 31 Cb -0.08 -2.50 0.01 0.00 1.00 0.00 0.00 33.01 31.44 2awt s GLN 31 CO -0.10 0.15 0.29 -0.06 -2.12 0.00 0.00 175.29 173.45 2awt s PHE 32 N -1.89 0.00 0.02 0.91 0.40 0.58 -4.91 117.98 113.09 2awt s PHE 32 Ca 0.55 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 56.55 2awt s PHE 32 Cb -0.13 0.09 -0.02 0.00 0.51 0.00 0.00 43.02 43.47 2awt s PHE 32 CO 0.18 -0.63 -0.16 -1.59 0.70 0.00 0.00 175.22 173.72 2awt s LYS 33 N -3.84 1.17 0.24 0.44 0.00 -1.26 -1.18 119.74 115.31 2awt s LYS 33 Ca 0.05 -0.71 -0.20 0.00 0.00 0.00 0.00 55.97 55.10 2awt s LYS 33 Cb 0.03 -1.18 0.03 0.00 0.00 0.00 0.00 37.83 36.71 2awt s LYS 33 CO -0.11 0.31 0.65 -1.50 0.00 0.00 0.00 175.35 174.70 2awt s ILE 34 N -0.63 0.00 0.42 3.79 2.07 -1.20 -5.01 121.20 120.65 2awt s ILE 34 Ca 0.05 -0.79 -0.20 0.00 -1.41 0.00 0.00 60.65 58.29 2awt s ILE 34 Cb -0.07 -1.75 -0.11 0.00 0.13 0.00 0.00 42.46 40.66 2awt s ILE 34 CO 0.01 -0.01 0.93 -0.54 -1.91 0.00 0.00 174.94 173.41 2awt s LYS 35 N -3.89 4.21 0.17 3.50 1.02 -1.26 -0.06 119.74 123.43 2awt s LYS 35 Ca 0.09 1.08 -0.16 0.00 0.02 0.00 0.00 55.97 57.00 2awt s LYS 35 Cb -0.04 -2.20 0.11 0.00 -0.52 0.00 0.00 37.83 35.18 2awt s LYS 35 CO 0.02 -0.01 1.69 -0.09 -0.92 0.00 0.00 175.35 176.03 2awt h ARG 36 N 1.94 0.08 -3.44 1.68 2.43 -1.93 -3.15 114.38 111.99 2awt h ARG 36 Ca -0.49 -0.00 -0.80 0.00 -0.81 0.00 0.00 59.98 57.88 2awt h ARG 36 Cb 1.18 -0.02 -0.27 0.00 -0.42 0.00 0.00 29.97 30.44 2awt h ARG 36 CO 0.61 0.05 0.70 1.58 -1.51 0.00 0.00 179.97 181.41 2awt n HIS 37 N -5.22 4.19 -3.80 2.20 -0.00 -1.26 -3.97 115.22 107.36 2awt n HIS 37 Ca 0.03 -3.40 -0.13 0.00 0.46 0.00 0.00 57.72 54.69 2awt n HIS 37 Cb 0.22 -1.61 -0.13 0.00 -0.12 0.00 0.00 29.99 28.35 2awt n HIS 37 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2awt s THR 38 N -1.49 -0.01 -0.14 3.57 2.01 -1.19 -5.06 115.64 113.32 2awt s THR 38 Ca 0.32 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.07 2awt s THR 38 Cb -0.04 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 2awt s THR 38 CO -0.01 0.02 1.55 -2.16 -0.69 0.00 0.00 174.62 173.33 2awt s PRO 39 N 0.35 4.06 0.61 4.92 0.04 -1.26 -4.81 135.00 138.91 2awt s PRO 39 Ca -0.02 1.89 0.28 0.00 0.04 0.00 0.00 61.00 63.19 2awt s PRO 39 Cb -0.03 -3.95 1.45 0.00 0.04 0.00 0.00 34.50 32.00 2awt s PRO 39 CO -0.01 -0.97 1.85 -0.07 0.04 0.00 0.00 177.00 177.84 2awt h LEU 40 N 10.63 0.00 -0.30 -3.56 3.38 -1.86 -2.13 115.31 121.46 2awt h LEU 40 Ca -0.34 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.69 2awt h LEU 40 Cb 1.15 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 2awt h LEU 40 CO 0.97 0.00 -0.42 0.77 0.09 0.00 0.00 178.44 179.86 2awt h SER 41 N 0.00 -1.35 -0.92 -0.43 4.64 -1.89 0.34 113.55 113.94 2awt h SER 41 Ca 0.16 0.20 0.26 0.00 -0.47 0.00 0.00 61.79 61.94 2awt h SER 41 Cb 1.12 0.58 -0.04 0.00 -0.31 0.00 0.00 62.40 63.76 2awt h SER 41 CO -0.00 -0.38 0.66 0.07 -0.87 0.00 0.00 176.83 176.30 2awt h LYS 42 N -0.38 0.01 0.20 4.77 2.10 -1.79 0.19 116.57 121.66 2awt h LYS 42 Ca 0.12 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.76 2awt h LYS 42 Cb 0.59 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 2awt h LYS 42 CO -0.50 0.01 -0.09 1.25 -2.00 0.00 0.00 179.45 178.11 2awt h LEU 43 N 0.01 -0.22 -0.66 7.07 5.85 -0.53 -2.97 115.31 123.85 2awt h LEU 43 Ca 0.44 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.28 2awt h LEU 43 Cb 1.74 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.74 2awt h LEU 43 CO -0.01 0.06 0.23 0.00 -0.34 0.00 0.00 178.44 178.37 2awt h MET 44 N -0.70 0.37 -0.26 1.25 -0.00 -0.66 -1.18 114.93 113.76 2awt h MET 44 Ca -0.03 -0.02 0.06 0.00 -0.00 0.00 0.00 59.70 59.71 2awt h MET 44 Cb 0.20 -0.08 -0.07 0.00 -0.00 0.00 0.00 31.60 31.65 2awt h MET 44 CO 0.04 0.25 -0.26 0.87 -0.00 0.00 0.00 176.91 177.82 2awt h LYS 45 N 0.38 -0.25 -0.82 -0.10 1.79 -0.77 -1.37 116.57 115.43 2awt h LYS 45 Ca 0.35 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.84 2awt h LYS 45 Cb 0.49 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.16 2awt h LYS 45 CO -0.37 -0.16 0.54 0.00 -1.08 0.00 0.00 179.45 178.38 2awt h ALA 46 N 0.78 1.04 -0.54 3.86 0.00 -1.19 -1.91 119.26 121.31 2awt h ALA 46 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2awt h ALA 46 Cb 0.47 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2awt h ALA 46 CO -0.41 0.46 0.00 0.98 0.00 0.00 0.00 179.25 180.29 2awt n TYR 47 N -4.50 0.00 -0.16 0.00 9.36 -0.52 -1.64 117.16 119.70 2awt n TYR 47 Ca 0.08 0.00 0.26 0.00 3.32 0.00 0.00 57.90 61.56 2awt n TYR 47 Cb 0.02 -0.41 0.69 0.00 -0.63 0.00 0.00 39.34 39.01 2awt n TYR 47 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2awt h GLU 49 N 0.06 0.54 0.00 0.00 4.81 -0.46 0.57 114.58 120.10 2awt h GLU 49 Ca 0.41 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 59.25 2awt h GLU 49 Cb 1.53 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.72 2awt h GLU 49 CO -0.03 0.36 -2.35 2.89 -0.73 0.00 0.00 179.01 179.15 2awt n ARG 50 N -4.92 0.79 -3.20 1.92 1.85 -0.11 -4.69 116.66 108.30 2awt n ARG 50 Ca 0.19 0.02 -0.24 0.00 -1.00 0.00 0.00 57.85 56.82 2awt n ARG 50 Cb 0.50 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.36 2awt n ARG 50 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2awt n GLN 51 N -2.83 1.73 -2.36 2.89 1.13 0.94 -5.00 117.38 113.87 2awt n GLN 51 Ca -0.34 -3.95 -0.43 0.00 -1.94 0.00 0.00 57.00 50.34 2awt n GLN 51 Cb 1.10 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 29.65 2awt n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2awt n GLY 52 N 0.66 4.54 0.09 1.08 0.00 0.20 -4.13 105.19 107.63 2awt n GLY 52 Ca 0.26 -2.04 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 2awt n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2awt h LEU 53 N 8.33 0.00 -5.00 0.99 3.38 -1.95 -3.43 115.31 117.62 2awt h LEU 53 Ca 0.40 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.22 2awt h LEU 53 Cb 0.66 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.25 2awt h LEU 53 CO 1.60 0.68 -0.49 -1.54 0.09 0.00 0.00 178.44 178.78 2awt n SER 54 N -2.95 -3.47 0.21 -0.43 3.41 -1.26 -4.92 113.62 104.20 2awt n SER 54 Ca -0.10 -2.92 0.11 0.00 -0.26 0.00 0.00 58.87 55.70 2awt n SER 54 Cb 0.88 1.76 0.15 0.00 -0.26 0.00 0.00 64.21 66.74 2awt n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2awt h MET 55 N 5.00 0.00 -0.10 4.33 -0.00 -1.93 -3.10 114.93 119.13 2awt h MET 55 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2awt h MET 55 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.71 2awt h MET 55 CO 0.01 0.04 0.00 2.89 -0.00 0.00 0.00 176.91 179.86 2awt n ARG 56 N -3.09 1.44 0.00 -0.10 1.85 -1.26 -3.39 116.66 112.11 2awt n ARG 56 Ca 0.04 -0.66 0.00 0.00 -1.00 0.00 0.00 57.85 56.22 2awt n ARG 56 Cb 0.55 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.61 2awt n ARG 56 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2awt n GLN 57 N -0.12 5.08 -1.65 2.89 6.02 -1.18 -5.02 117.38 123.41 2awt n GLN 57 Ca 0.15 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 2awt n GLN 57 Cb 0.22 -0.58 -0.03 0.00 1.02 0.00 0.00 30.24 30.87 2awt n GLN 57 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2awt n ILE 58 N -0.76 0.70 -3.57 5.09 2.08 -1.19 -4.24 119.36 117.47 2awt n ILE 58 Ca 0.00 -0.20 -0.08 0.00 0.56 0.00 0.00 62.75 63.03 2awt n ILE 58 Cb 0.00 -2.37 -0.09 0.00 -0.75 0.00 0.00 39.64 36.44 2awt n ILE 58 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2awt s ARG 59 N 4.81 0.33 -0.03 0.38 1.81 -1.24 -4.94 118.95 120.08 2awt s ARG 59 Ca 0.91 0.91 -0.30 0.00 -1.72 0.00 0.00 55.73 55.53 2awt s ARG 59 Cb -0.42 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.18 2awt s ARG 59 CO 0.41 -0.36 1.15 -0.06 -0.68 0.00 0.00 175.30 175.76 2awt s PHE 60 N 2.60 3.34 -0.15 -0.53 0.08 -1.26 -1.94 117.98 120.12 2awt s PHE 60 Ca 0.02 1.34 -0.09 0.00 0.12 0.00 0.00 56.93 58.33 2awt s PHE 60 Cb -0.13 -3.35 0.05 0.00 -0.57 0.00 0.00 43.02 39.02 2awt s PHE 60 CO -0.14 -1.01 0.36 0.50 -0.10 0.00 0.00 175.22 174.84 2awt s ARG 61 N 1.80 0.36 0.22 0.44 3.52 -0.11 -3.79 118.95 121.39 2awt s ARG 61 Ca 0.55 0.68 0.09 0.00 -0.13 0.00 0.00 55.73 56.91 2awt s ARG 61 Cb -0.24 -0.00 -0.04 0.00 -1.56 0.00 0.00 34.95 33.10 2awt s ARG 61 CO 0.24 -0.14 -0.02 0.12 -0.81 0.00 0.00 175.30 174.69 2awt s PHE 62 N 1.14 2.72 -1.27 5.12 5.36 -1.19 -0.59 117.98 129.27 2awt s PHE 62 Ca -0.08 -0.20 -0.08 0.00 -0.96 0.00 0.00 56.93 55.61 2awt s PHE 62 Cb -0.08 -1.26 -0.08 0.00 -0.34 0.00 0.00 43.02 41.26 2awt s PHE 62 CO -0.09 0.57 2.61 -0.25 -1.46 0.00 0.00 175.22 176.60 2awt n ASP 63 N -0.50 7.01 0.00 6.13 9.92 -1.26 -3.05 116.55 134.80 2awt n ASP 63 Ca -0.08 -2.46 0.00 0.00 -0.53 0.00 0.00 54.79 51.72 2awt n ASP 63 Cb 0.57 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 2awt n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2awt n GLY 64 N 3.62 0.04 3.54 0.44 0.00 -1.26 -5.16 105.19 106.41 2awt n GLY 64 Ca 0.63 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.55 2awt n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2awt s GLN 65 N -0.60 0.76 1.20 1.61 -0.21 -1.17 -5.18 119.66 116.07 2awt s GLN 65 Ca 0.00 -0.30 -0.19 0.00 0.02 0.00 0.00 55.36 54.89 2awt s GLN 65 Cb 0.00 0.34 0.28 0.00 1.00 0.00 0.00 33.01 34.64 2awt s GLN 65 CO 0.00 -0.34 1.11 -1.25 -2.12 0.00 0.00 175.29 172.69 2awt s PRO 66 N -3.02 -1.20 -0.05 2.91 0.04 -1.26 -3.17 135.00 129.26 2awt s PRO 66 Ca 0.06 -0.06 0.01 0.00 0.04 0.00 0.00 61.00 61.05 2awt s PRO 66 Cb -0.01 -1.60 0.02 0.00 0.04 0.00 0.00 34.50 32.96 2awt s PRO 66 CO -0.08 -3.70 -0.04 0.42 0.04 0.00 0.00 177.00 173.65 2awt s ILE 67 N -3.01 0.55 0.06 0.56 -1.09 -1.25 -4.82 121.20 112.20 2awt s ILE 67 Ca 0.71 -0.09 -0.14 0.00 -2.23 0.00 0.00 60.65 58.89 2awt s ILE 67 Cb -0.10 -0.60 -0.06 0.00 -1.58 0.00 0.00 42.46 40.12 2awt s ILE 67 CO 0.56 0.24 0.46 0.20 -1.23 0.00 0.00 174.94 175.17 2awt s ASN 68 N 1.17 6.81 0.31 3.58 0.01 -1.26 -4.86 114.94 120.70 2awt s ASN 68 Ca -0.07 0.99 0.06 0.00 -0.71 0.00 0.00 52.86 53.13 2awt s ASN 68 Cb -0.14 -2.26 0.73 0.00 0.41 0.00 0.00 41.25 39.99 2awt s ASN 68 CO -0.01 0.24 1.79 1.05 -1.51 0.00 0.00 177.10 178.65 2awt h GLU 69 N 4.22 0.77 -1.12 -0.60 4.11 -2.00 0.87 114.58 120.82 2awt h GLU 69 Ca -0.50 -0.05 -0.53 0.00 0.07 0.00 0.00 59.36 58.35 2awt h GLU 69 Cb 1.21 -0.17 -0.25 0.00 0.50 0.00 0.00 28.75 30.04 2awt h GLU 69 CO 0.64 0.51 0.68 -2.37 0.07 0.00 0.00 179.01 178.53 2awt n THR 70 N -4.73 3.22 -4.20 -1.06 5.66 -1.26 -4.79 114.28 107.12 2awt n THR 70 Ca 0.22 -2.26 -0.29 0.00 -3.05 0.00 0.00 64.05 58.67 2awt n THR 70 Cb 0.54 -1.03 -0.09 0.00 -1.55 0.00 0.00 70.33 68.20 2awt n THR 70 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2awt s ASP 71 N -1.11 4.63 0.25 1.09 -1.08 0.30 -5.14 116.67 115.61 2awt s ASP 71 Ca 0.52 -0.36 0.11 0.00 -0.52 0.00 0.00 52.55 52.30 2awt s ASP 71 Cb 0.42 -0.96 -0.05 0.00 -1.46 0.00 0.00 42.92 40.87 2awt s ASP 71 CO 0.02 0.14 -0.19 0.42 0.52 0.00 0.00 175.17 176.08 2awt s THR 72 N -1.43 2.25 -0.48 1.71 -4.23 -1.26 -4.64 115.64 107.55 2awt s THR 72 Ca 0.24 -2.31 0.23 0.00 -1.18 0.00 0.00 61.69 58.68 2awt s THR 72 Cb -0.10 -2.20 0.24 0.00 1.34 0.00 0.00 72.50 71.78 2awt s THR 72 CO 0.16 -0.42 1.71 -0.81 -0.54 0.00 0.00 174.62 174.72 2awt n PRO 73 N -0.45 0.19 0.20 3.99 -0.04 -1.26 -2.55 135.00 135.09 2awt n PRO 73 Ca -0.07 0.42 0.06 0.00 -0.04 0.00 0.00 63.50 63.88 2awt n PRO 73 Cb 0.60 -1.87 0.43 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.26 1.15 -0.19 0.55 0.00 -1.96 -2.18 119.26 118.89 2awt h ALA 74 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2awt h ALA 74 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2awt h ALA 74 CO 0.00 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2awt n GLN 75 N -3.69 2.71 -0.00 0.00 10.64 -1.06 -4.49 117.38 121.50 2awt n GLN 75 Ca -0.01 -2.13 0.01 0.00 -1.83 0.00 0.00 57.00 53.04 2awt n GLN 75 Cb 0.43 -1.34 -0.02 0.00 -0.86 0.00 0.00 30.24 28.45 2awt n GLN 75 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2awt n LEU 76 N -0.23 0.06 -3.44 2.61 4.77 -1.10 -5.00 117.00 114.68 2awt n LEU 76 Ca 0.11 -0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 55.66 2awt n LEU 76 Cb 0.50 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.67 2awt n LEU 76 CO 0.06 0.02 0.08 -0.62 -1.33 0.00 0.00 177.39 175.60 2awt n GLU 77 N -1.31 -5.98 -3.49 3.23 1.02 -0.84 -4.96 120.64 108.31 2awt n GLU 77 Ca 0.00 0.83 -0.27 0.00 -0.02 0.00 0.00 57.16 57.69 2awt n GLU 77 Cb 0.05 -5.79 -0.08 0.00 -0.02 0.00 0.00 31.44 25.60 2awt n GLU 77 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2awt n MET 78 N -4.05 2.46 -1.35 3.49 2.81 -1.23 -5.04 117.12 114.20 2awt n MET 78 Ca -0.27 -4.65 0.00 0.00 -1.81 0.00 0.00 57.70 50.97 2awt n MET 78 Cb 0.67 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 2awt n MET 78 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2awt n GLU 79 N 1.03 0.25 -3.28 0.03 1.02 -1.26 -4.74 120.64 113.69 2awt n GLU 79 Ca 0.28 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.26 2awt n GLU 79 Cb 0.40 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.90 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 -1.89 -2.76 -2.34 1.62 2.03 -1.26 -2.51 116.55 109.44 2awt n ASP 80 Ca 0.00 -0.52 -0.17 0.00 0.52 0.00 0.00 54.79 54.61 2awt n ASP 80 Cb 0.00 -4.50 0.02 0.00 -0.72 0.00 0.00 41.12 35.92 2awt n ASP 80 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2awt n GLU 81 N -3.85 -3.51 -0.57 -0.67 2.13 -1.20 -4.99 120.64 107.99 2awt n GLU 81 Ca -0.20 0.73 -0.29 0.00 0.66 0.00 0.00 57.16 58.06 2awt n GLU 81 Cb 0.63 -5.18 0.26 0.00 0.27 0.00 0.00 31.44 27.43 2awt n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2awt n ASP 82 N -1.53 -3.17 -3.58 4.31 9.92 -1.05 -4.76 116.55 116.70 2awt n ASP 82 Ca -0.10 -0.98 -0.20 0.00 -0.53 0.00 0.00 54.79 52.98 2awt n ASP 82 Cb 0.60 -0.96 -0.15 0.00 -0.64 0.00 0.00 41.12 39.98 2awt n ASP 82 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2awt s THR 83 N -2.43 -0.23 -0.25 -3.53 2.01 -1.26 -1.20 115.64 108.74 2awt s THR 83 Ca 0.66 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.58 2awt s THR 83 Cb -0.09 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 2awt s THR 83 CO 0.53 -0.12 0.14 -0.63 -0.69 0.00 0.00 174.62 173.85 2awt s ILE 84 N 2.26 4.98 0.04 1.82 1.01 -0.15 -4.83 121.20 126.32 2awt s ILE 84 Ca 0.04 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 2awt s ILE 84 Cb -0.15 -3.34 -0.08 0.00 0.01 0.00 0.00 42.46 38.91 2awt s ILE 84 CO -0.09 0.31 1.69 -0.62 0.00 0.00 0.00 174.94 176.23 2awt s ASP 85 N 1.45 6.60 -0.04 3.58 2.15 0.25 -3.15 116.67 127.50 2awt s ASP 85 Ca 0.06 2.45 -0.01 0.00 0.43 0.00 0.00 52.55 55.49 2awt s ASP 85 Cb -0.15 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.88 2awt s ASP 85 CO 0.07 -0.91 0.02 0.54 -0.17 0.00 0.00 175.17 174.72 2awt s VAL 86 N 3.15 4.41 -0.32 1.11 0.11 -1.18 -0.94 120.40 126.74 2awt s VAL 86 Ca 0.75 -0.37 -0.18 0.00 -2.93 0.00 0.00 61.98 59.25 2awt s VAL 86 Cb -0.39 -2.93 -0.01 0.00 -1.53 0.00 0.00 36.38 31.52 2awt s VAL 86 CO 0.33 0.48 0.50 0.12 -3.33 0.00 0.00 175.10 173.19 2awt s PHE 87 N -1.02 3.21 -0.24 1.54 2.19 -0.82 -3.92 117.98 118.92 2awt s PHE 87 Ca 0.17 0.32 -0.07 0.00 0.33 0.00 0.00 56.93 57.69 2awt s PHE 87 Cb -0.12 -2.83 0.11 0.00 -1.31 0.00 0.00 43.02 38.88 2awt s PHE 87 CO 0.07 -0.44 0.49 -0.65 1.83 0.00 0.00 175.22 176.53 2awt s GLN 88 N 2.33 0.41 -1.09 10.12 -0.21 -1.26 -3.19 119.66 126.76 2awt s GLN 88 Ca 0.19 1.10 -0.03 0.00 0.02 0.00 0.00 55.36 56.63 2awt s GLN 88 Cb -0.16 0.42 0.29 0.00 1.00 0.00 0.00 33.01 34.56 2awt s GLN 88 CO 0.12 -0.30 1.71 0.94 -2.12 0.00 0.00 175.29 175.64 2awt n GLN 89 N 5.41 4.81 -0.73 2.91 7.27 -1.26 -4.78 117.38 131.02 2awt n GLN 89 Ca -0.08 -4.45 -0.13 0.00 0.07 0.00 0.00 57.00 52.40 2awt n GLN 89 Cb 0.49 -2.53 0.10 0.00 2.41 0.00 0.00 30.24 30.71 2awt n GLN 89 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2awt n GLN 90 N 0.99 -0.97 -0.86 3.69 6.02 -1.26 -4.95 117.38 120.04 2awt n GLN 90 Ca 0.38 -0.86 -0.06 0.00 -0.01 0.00 0.00 57.00 56.44 2awt n GLN 90 Cb 0.30 -0.64 0.24 0.00 1.02 0.00 0.00 30.24 31.16 2awt n GLN 90 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2awt n THR 91 N -3.02 2.50 -4.21 5.09 -2.24 -1.26 -4.93 114.28 106.21 2awt n THR 91 Ca 0.07 -1.33 -0.11 0.00 -2.27 0.00 0.00 64.05 60.41 2awt n THR 91 Cb 0.26 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 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 -0.14 3.73 2.73 3.38 0.00 -1.26 -5.12 105.19 108.50 2awt n GLY 92 Ca 0.35 -2.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.31 2awt n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2awt n GLY 93 N 0.95 -0.56 2.63 -0.02 0.00 -1.26 -4.70 105.19 102.22 2awt n GLY 93 Ca -0.02 0.45 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 2awt n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2awt n VAL 94 N 1.79 2.18 1.33 1.61 0.24 -1.19 -4.86 118.33 119.43 2awt n VAL 94 Ca 0.08 -5.11 0.13 0.00 -2.04 0.00 0.00 64.34 57.41 2awt n VAL 94 Cb 0.64 -2.14 0.38 0.00 -1.47 0.00 0.00 33.84 31.25 2awt n VAL 94 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69