#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 3.50 -0.11 3.17 0.00 -1.26 -5.12 121.76 121.94 2awt s ALA 2 Ca 0.00 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.47 2awt s ALA 2 Cb 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 2awt s ALA 2 CO 0.00 0.24 -0.14 -0.51 0.00 0.00 0.00 175.76 175.35 2awt s ASP 3 N -3.81 4.00 0.58 0.00 1.01 -1.26 -5.13 116.67 112.06 2awt s ASP 3 Ca 0.33 -0.30 0.10 0.00 0.71 0.00 0.00 52.55 53.38 2awt s ASP 3 Cb -0.07 -1.43 0.09 0.00 1.01 0.00 0.00 42.92 42.52 2awt s ASP 3 CO 0.24 0.21 0.78 -1.61 0.21 0.00 0.00 175.17 175.00 2awt s GLU 4 N 0.09 2.26 -0.41 8.23 0.41 -1.26 -5.09 118.70 122.93 2awt s GLU 4 Ca -0.06 -1.70 0.08 0.00 -0.41 0.00 0.00 54.97 52.88 2awt s GLU 4 Cb -0.15 -2.60 0.26 0.00 -1.78 0.00 0.00 34.13 29.87 2awt s GLU 4 CO 0.05 -0.89 0.66 1.63 -0.49 0.00 0.00 175.26 176.21 2awt n LYS 5 N -2.24 0.77 -2.07 1.61 5.02 -1.26 -5.10 118.16 114.89 2awt n LYS 5 Ca 0.15 -2.83 -0.41 0.00 -2.02 0.00 0.00 58.31 53.19 2awt n LYS 5 Cb 0.62 -1.32 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.82 3.13 -0.52 1.97 0.04 -1.26 -4.89 135.00 132.65 2awt s PRO 6 Ca 0.34 1.06 0.07 0.00 0.04 0.00 0.00 61.00 62.52 2awt s PRO 6 Cb 0.21 -4.23 0.34 0.00 0.04 0.00 0.00 34.50 30.86 2awt s PRO 6 CO -0.14 -2.11 0.88 1.63 0.04 0.00 0.00 177.00 177.31 2awt n LYS 7 N 8.63 2.56 -3.84 4.56 5.02 -1.26 -5.06 118.16 128.78 2awt n LYS 7 Ca 0.21 -4.42 -0.09 0.00 -2.02 0.00 0.00 58.31 51.98 2awt n LYS 7 Cb 0.49 -2.08 -0.05 0.00 -0.02 0.00 0.00 35.03 33.37 2awt n LYS 7 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2awt s GLU 8 N -3.15 1.35 0.00 1.97 2.02 -1.26 -5.07 118.70 114.55 2awt s GLU 8 Ca 0.46 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.44 2awt s GLU 8 Cb 0.30 0.47 0.00 0.00 0.10 0.00 0.00 34.13 35.00 2awt s GLU 8 CO -0.12 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.02 2awt n GLY 9 N -0.31 0.67 3.48 -1.39 0.00 -1.26 -5.10 105.19 101.29 2awt n GLY 9 Ca -0.08 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.59 5.14 0.10 1.61 1.01 -1.26 -5.01 120.40 121.40 2awt s VAL 10 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 2awt s VAL 10 Cb 0.00 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.41 2awt s VAL 10 CO 0.00 -0.36 0.30 2.29 0.00 0.00 0.00 175.10 177.33 2awt n LYS 11 N 5.47 0.30 -4.17 2.72 2.85 -1.26 -5.19 118.16 118.88 2awt n LYS 11 Ca -0.08 -0.61 -0.12 0.00 -1.05 0.00 0.00 58.31 56.45 2awt n LYS 11 Cb 0.47 0.79 -0.09 0.00 -0.65 0.00 0.00 35.03 35.55 2awt n LYS 11 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2awt s THR 12 N -2.56 0.00 0.05 0.58 -4.23 -1.26 -5.14 115.64 103.08 2awt s THR 12 Ca 0.06 -1.89 -0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2awt s THR 12 Cb -0.01 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2awt s THR 12 CO 0.03 0.00 0.07 -0.62 -0.54 0.00 0.00 174.62 173.56 2awt n GLU 13 N -0.32 0.10 -1.33 3.99 -0.58 -1.26 -5.04 120.64 116.20 2awt n GLU 13 Ca 0.02 -0.41 -0.24 0.00 -0.42 0.00 0.00 57.16 56.12 2awt n GLU 13 Cb 0.65 0.39 -0.09 0.00 -0.57 0.00 0.00 31.44 31.81 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 -2.10 6.37 -2.45 1.62 4.13 -1.26 -4.84 115.26 116.74 2awt n ASN 14 Ca 0.00 -2.85 -0.07 0.00 1.68 0.00 0.00 54.58 53.34 2awt n ASN 14 Cb 0.08 -1.35 0.02 0.00 -1.54 0.00 0.00 39.78 37.00 2awt n ASN 14 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2awt n ASN 15 N 1.87 -1.86 -4.81 6.41 6.94 -1.26 -5.16 115.26 117.39 2awt n ASN 15 Ca 0.51 -2.28 -0.33 0.00 -0.02 0.00 0.00 54.58 52.45 2awt n ASN 15 Cb 0.64 3.09 -0.02 0.00 -2.36 0.00 0.00 39.78 41.13 2awt n ASN 15 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2awt s ASP 16 N -2.68 6.25 -0.27 0.53 1.01 -1.26 -5.05 116.67 115.21 2awt s ASP 16 Ca 0.13 1.84 -0.01 0.00 0.71 0.00 0.00 52.55 55.22 2awt s ASP 16 Cb -0.04 -2.54 0.14 0.00 1.01 0.00 0.00 42.92 41.48 2awt s ASP 16 CO 0.10 -0.85 0.34 -2.28 0.21 0.00 0.00 175.17 172.69 2awt s HIS 17 N -2.21 -0.67 0.03 4.23 5.65 -1.26 -3.96 115.29 117.10 2awt s HIS 17 Ca 0.65 0.27 0.00 0.00 0.25 0.00 0.00 55.06 56.23 2awt s HIS 17 Cb -0.15 -0.24 0.00 0.00 -1.18 0.00 0.00 32.58 31.01 2awt s HIS 17 CO 0.26 -0.84 0.03 0.44 -0.65 0.00 0.00 174.74 173.98 2awt n ILE 18 N 5.34 0.00 -3.77 0.89 -5.35 0.11 -4.97 119.36 111.61 2awt n ILE 18 Ca -0.02 -0.11 -0.14 0.00 -0.27 0.00 0.00 62.75 62.21 2awt n ILE 18 Cb 0.49 -0.67 -0.15 0.00 -1.74 0.00 0.00 39.64 37.57 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 -1.18 -0.06 0.10 7.28 2.47 -1.26 -3.34 114.94 118.95 2awt s ASN 19 Ca 0.02 0.21 0.05 0.00 0.42 0.00 0.00 52.86 53.56 2awt s ASN 19 Cb -0.00 0.12 -0.04 0.00 -1.45 0.00 0.00 41.25 39.88 2awt s ASN 19 CO 0.01 -0.12 -0.13 -0.22 -3.72 0.00 0.00 177.10 172.92 2awt s LEU 20 N 0.92 2.37 -0.12 3.21 2.96 -0.67 -2.42 118.68 124.93 2awt s LEU 20 Ca -0.07 -0.76 -0.02 0.00 -0.22 0.00 0.00 54.13 53.05 2awt s LEU 20 Cb -0.10 -0.49 0.04 0.00 0.50 0.00 0.00 46.19 46.14 2awt s LEU 20 CO -0.04 -0.15 0.03 -0.54 -1.32 0.00 0.00 176.35 174.33 2awt s LYS 21 N -2.46 0.50 -0.92 1.98 1.02 -0.86 -0.59 119.74 118.41 2awt s LYS 21 Ca 0.05 -0.06 -0.19 0.00 0.02 0.00 0.00 55.97 55.79 2awt s LYS 21 Cb -0.06 -1.41 0.12 0.00 -0.52 0.00 0.00 37.83 35.96 2awt s LYS 21 CO 0.02 -0.46 1.14 0.08 -0.92 0.00 0.00 175.35 175.21 2awt s VAL 22 N 1.97 4.65 -0.43 3.17 1.01 0.11 -1.13 120.40 129.74 2awt s VAL 22 Ca 0.03 -1.44 -0.29 0.00 0.00 0.00 0.00 61.98 60.28 2awt s VAL 22 Cb -0.14 -4.79 0.03 0.00 0.00 0.00 0.00 36.38 31.47 2awt s VAL 22 CO -0.06 -1.53 1.12 0.00 0.00 0.00 0.00 175.10 174.62 2awt s ALA 23 N 2.93 3.26 -0.46 5.51 0.00 -1.18 -1.99 121.76 129.83 2awt s ALA 23 Ca 0.33 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 2awt s ALA 23 Cb -0.05 -3.83 0.11 0.00 0.00 0.00 0.00 23.12 19.35 2awt s ALA 23 CO -0.08 -2.02 0.33 0.20 0.00 0.00 0.00 175.76 174.19 2awt s GLY 24 N 2.21 2.02 0.40 0.00 0.00 -0.53 -0.73 107.32 110.69 2awt s GLY 24 Ca 0.47 -2.44 0.07 0.00 0.00 0.00 0.00 44.72 42.83 2awt s GLY 24 CO 0.27 1.08 2.04 -1.61 0.00 0.00 0.00 173.10 174.87 2awt h GLN 25 N 8.46 0.57 -0.79 2.90 4.15 -1.70 0.38 115.11 129.09 2awt h GLN 25 Ca -0.22 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.05 2awt h GLN 25 Cb 1.08 -0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.57 2awt h GLN 25 CO 0.84 0.38 0.15 -0.25 -1.93 0.00 0.00 178.83 178.02 2awt n ASP 26 N -4.47 4.21 0.00 -0.69 9.92 -1.26 -4.76 116.55 119.51 2awt n ASP 26 Ca 0.05 -2.84 0.00 0.00 -0.53 0.00 0.00 54.79 51.47 2awt n ASP 26 Cb 0.11 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2awt n GLY 27 N 0.11 -1.78 0.00 0.44 0.00 -0.12 -2.55 105.19 101.29 2awt n GLY 27 Ca 0.28 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.87 2awt n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2awt n SER 28 N -0.73 0.00 -4.86 1.61 2.88 0.11 -0.76 113.62 111.88 2awt n SER 28 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2awt n SER 28 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2awt n SER 28 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2awt s VAL 29 N -2.00 5.17 -0.00 2.46 0.11 -1.26 -1.45 120.40 123.42 2awt s VAL 29 Ca 0.00 0.48 -0.02 0.00 -2.93 0.00 0.00 61.98 59.51 2awt s VAL 29 Cb 0.00 -3.62 -0.00 0.00 -1.53 0.00 0.00 36.38 31.23 2awt s VAL 29 CO 0.00 0.43 0.05 -0.69 -3.33 0.00 0.00 175.10 171.56 2awt s VAL 30 N -1.24 0.05 0.11 2.04 1.01 -0.84 -4.93 120.40 116.59 2awt s VAL 30 Ca 0.27 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2awt s VAL 30 Cb -0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2awt s VAL 30 CO 0.15 -0.24 0.15 -1.10 0.00 0.00 0.00 175.10 174.05 2awt s GLN 31 N -0.75 3.09 0.08 2.72 1.11 -1.26 0.04 119.66 124.69 2awt s GLN 31 Ca -0.08 -0.67 -0.13 0.00 0.01 0.00 0.00 55.36 54.49 2awt s GLN 31 Cb -0.05 -2.81 0.02 0.00 -1.01 0.00 0.00 33.01 29.16 2awt s GLN 31 CO 0.00 0.55 0.31 -0.06 0.01 0.00 0.00 175.29 176.10 2awt s PHE 32 N -1.56 -0.08 -0.04 0.91 0.40 0.24 -4.97 117.98 112.88 2awt s PHE 32 Ca 0.32 -0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.50 2awt s PHE 32 Cb -0.12 0.12 -0.00 0.00 0.51 0.00 0.00 43.02 43.53 2awt s PHE 32 CO 0.25 -0.59 -0.18 0.15 0.70 0.00 0.00 175.22 175.55 2awt s LYS 33 N -3.35 1.82 0.27 0.44 1.02 -1.26 -1.67 119.74 117.01 2awt s LYS 33 Ca 0.01 -0.64 -0.20 0.00 0.02 0.00 0.00 55.97 55.16 2awt s LYS 33 Cb 0.02 -1.59 0.02 0.00 -0.52 0.00 0.00 37.83 35.76 2awt s LYS 33 CO -0.08 0.26 0.69 -1.50 -0.92 0.00 0.00 175.35 173.80 2awt s ILE 34 N -0.01 0.00 0.82 2.17 2.07 -1.21 -5.01 121.20 120.02 2awt s ILE 34 Ca -0.03 -0.98 -0.14 0.00 -1.41 0.00 0.00 60.65 58.09 2awt s ILE 34 Cb -0.11 -1.96 0.19 0.00 0.13 0.00 0.00 42.46 40.71 2awt s ILE 34 CO 0.02 -0.00 0.97 2.29 -1.91 0.00 0.00 174.94 176.31 2awt n LYS 35 N -0.45 -1.55 0.02 3.50 2.85 -1.25 0.08 118.16 121.35 2awt n LYS 35 Ca -0.05 -1.51 -0.08 0.00 -1.05 0.00 0.00 58.31 55.63 2awt n LYS 35 Cb 0.60 -1.13 -0.06 0.00 -0.65 0.00 0.00 35.03 33.79 2awt n LYS 35 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2awt h ARG 36 N 0.00 -0.15 -3.80 -1.58 2.43 -1.95 -3.39 114.38 105.94 2awt h ARG 36 Ca -0.33 0.01 -0.77 0.00 -0.81 0.00 0.00 59.98 58.09 2awt h ARG 36 Cb 0.93 0.03 -0.20 0.00 -0.42 0.00 0.00 29.97 30.32 2awt h ARG 36 CO 0.23 0.22 1.42 1.58 -1.51 0.00 0.00 179.97 181.91 2awt n HIS 37 N -4.85 3.75 -5.12 2.20 -0.00 -1.26 -4.00 115.22 105.94 2awt n HIS 37 Ca -0.06 -3.07 -0.31 0.00 0.46 0.00 0.00 57.72 54.74 2awt n HIS 37 Cb 0.22 -1.88 -0.15 0.00 -0.12 0.00 0.00 29.99 28.06 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 0.01 2.21 -0.28 3.57 -1.32 -1.26 -5.09 115.64 113.49 2awt s THR 38 Ca 0.38 -1.16 -0.29 0.00 -1.21 0.00 0.00 61.69 59.42 2awt s THR 38 Cb 0.03 -1.81 -0.02 0.00 -1.51 0.00 0.00 72.50 69.19 2awt s THR 38 CO 0.01 0.51 1.65 -2.16 -2.21 0.00 0.00 174.62 172.41 2awt s PRO 39 N -0.84 3.63 0.58 7.08 0.04 -1.26 -4.86 135.00 139.36 2awt s PRO 39 Ca 0.11 1.50 0.30 0.00 0.04 0.00 0.00 61.00 62.95 2awt s PRO 39 Cb -0.10 -4.08 1.44 0.00 0.04 0.00 0.00 34.50 31.80 2awt s PRO 39 CO 0.00 -1.50 1.84 -0.07 0.04 0.00 0.00 177.00 177.31 2awt h LEU 40 N 12.36 0.00 -0.21 -3.56 3.38 -1.94 -1.74 115.31 123.60 2awt h LEU 40 Ca -0.33 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.70 2awt h LEU 40 Cb 1.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 2awt h LEU 40 CO 1.02 0.00 -0.37 0.77 0.09 0.00 0.00 178.44 179.95 2awt h SER 41 N 0.00 -1.19 -0.73 -0.43 4.64 -1.94 0.25 113.55 114.15 2awt h SER 41 Ca 0.30 0.17 0.21 0.00 -0.47 0.00 0.00 61.79 62.01 2awt h SER 41 Cb 1.50 0.51 -0.03 0.00 -0.31 0.00 0.00 62.40 64.07 2awt h SER 41 CO -0.00 -0.38 0.60 0.07 -0.87 0.00 0.00 176.83 176.25 2awt h LYS 42 N -0.40 0.00 -0.08 4.77 2.10 -1.72 0.30 116.57 121.54 2awt h LYS 42 Ca 0.11 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.55 2awt h LYS 42 Cb 0.58 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.92 2awt h LYS 42 CO -0.43 0.00 -0.77 1.25 -2.00 0.00 0.00 179.45 177.50 2awt h LEU 43 N 0.00 0.82 -0.01 7.07 5.85 -0.65 -2.86 115.31 125.52 2awt h LEU 43 Ca 0.35 -0.68 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2awt h LEU 43 Cb 1.54 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2awt h LEU 43 CO -0.00 1.37 -0.08 0.24 -0.34 0.00 0.00 178.44 179.63 2awt h MET 44 N 0.33 0.07 -0.58 1.25 2.86 0.27 -2.88 114.93 116.25 2awt h MET 44 Ca -0.07 -0.07 0.12 0.00 -2.06 0.00 0.00 59.70 57.62 2awt h MET 44 Cb 1.42 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 33.00 2awt h MET 44 CO 0.16 0.77 0.03 0.87 1.06 0.00 0.00 176.91 179.80 2awt h LYS 45 N -0.60 0.15 0.79 1.72 1.57 -0.68 0.27 116.57 119.79 2awt h LYS 45 Ca -0.01 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2awt h LYS 45 Cb 0.79 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.07 2awt h LYS 45 CO 0.02 0.10 -0.39 0.00 -0.57 0.00 0.00 179.45 178.60 2awt h ALA 46 N 1.51 -1.28 -0.11 3.86 0.00 -1.58 -0.08 119.26 121.56 2awt h ALA 46 Ca 0.30 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2awt h ALA 46 Cb 0.47 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2awt h ALA 46 CO -0.46 -1.21 -0.39 -0.92 0.00 0.00 0.00 179.25 176.27 2awt h TYR 47 N -1.08 -1.09 -0.89 0.00 3.20 -1.25 -0.21 116.97 115.65 2awt h TYR 47 Ca -0.11 0.04 0.18 0.00 3.14 0.00 0.00 58.73 61.98 2awt h TYR 47 Cb 0.83 0.50 -0.07 0.00 1.54 0.00 0.00 36.73 39.53 2awt h TYR 47 CO 0.03 -0.45 0.58 0.00 -1.64 0.00 0.00 178.16 176.68 2awt h GLU 49 N 0.52 -0.47 -0.07 0.00 4.81 0.89 0.92 114.58 121.18 2awt h GLU 49 Ca 0.46 0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.55 2awt h GLU 49 Cb 0.98 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2awt h GLU 49 CO -0.20 -0.31 -0.70 0.07 -0.73 0.00 0.00 179.01 177.15 2awt h ARG 50 N -0.48 0.32 -2.47 1.92 -0.00 -1.31 -3.39 114.38 108.96 2awt h ARG 50 Ca -0.00 -0.25 -0.59 0.00 -0.00 0.00 0.00 59.98 59.14 2awt h ARG 50 Cb 0.49 0.05 -0.39 0.00 -0.00 0.00 0.00 29.97 30.13 2awt h ARG 50 CO -0.20 0.89 -0.92 -0.65 -0.00 0.00 0.00 179.97 179.10 2awt s GLN 51 N -3.62 0.82 -1.23 0.08 -1.52 0.13 -5.03 119.66 109.28 2awt s GLN 51 Ca -0.05 -1.86 -0.15 0.00 -1.95 0.00 0.00 55.36 51.36 2awt s GLN 51 Cb 0.11 -1.44 -0.05 0.00 -0.22 0.00 0.00 33.01 31.41 2awt s GLN 51 CO 0.82 -1.32 2.25 0.41 -0.25 0.00 0.00 175.29 177.20 2awt n GLY 52 N 3.26 3.73 2.45 3.09 0.00 0.31 -3.69 105.19 114.35 2awt n GLY 52 Ca 0.23 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.78 2awt n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2awt n LEU 53 N 5.86 2.59 0.00 0.99 4.77 -1.26 -5.04 117.00 124.91 2awt n LEU 53 Ca 0.55 -3.52 -0.17 0.00 -0.03 0.00 0.00 56.01 52.85 2awt n LEU 53 Cb 0.34 0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 2awt n LEU 53 CO 0.91 1.34 0.07 -1.54 -1.33 0.00 0.00 177.39 176.84 2awt n SER 54 N -0.59 -1.13 -0.20 -1.43 3.41 -1.26 -4.66 113.62 107.75 2awt n SER 54 Ca 0.19 -3.03 -0.03 0.00 -0.26 0.00 0.00 58.87 55.74 2awt n SER 54 Cb 0.87 2.24 -0.01 0.00 -0.26 0.00 0.00 64.21 67.05 2awt n SER 54 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2awt n MET 55 N -0.60 -1.35 0.00 4.33 0.00 -1.26 -4.69 117.12 113.55 2awt n MET 55 Ca 0.03 0.47 0.00 0.00 -0.00 0.00 0.00 57.70 58.21 2awt n MET 55 Cb 0.60 -4.55 0.00 0.00 0.00 0.00 0.00 33.22 29.27 2awt n MET 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2awt n ARG 56 N -0.60 0.78 0.00 2.12 1.74 -1.26 -4.96 116.66 114.48 2awt n ARG 56 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2awt n ARG 56 Cb 0.38 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 2awt n ARG 56 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2awt n GLN 57 N -1.89 0.00 -1.96 5.56 6.02 -1.26 -5.09 117.38 118.76 2awt n GLN 57 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 2awt n GLN 57 Cb 0.31 -0.59 0.03 0.00 1.02 0.00 0.00 30.24 31.01 2awt n GLN 57 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2awt s ILE 58 N -1.34 2.47 -0.07 5.09 1.01 -1.26 -5.04 121.20 122.07 2awt s ILE 58 Ca 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 2awt s ILE 58 Cb 0.00 -3.15 0.04 0.00 0.01 0.00 0.00 42.46 39.36 2awt s ILE 58 CO 0.00 -0.03 0.14 -0.60 0.00 0.00 0.00 174.94 174.45 2awt s ARG 59 N -3.07 0.06 0.21 2.79 6.06 -1.26 -4.37 118.95 119.36 2awt s ARG 59 Ca 0.73 0.43 -0.30 0.00 -2.50 0.00 0.00 55.73 54.10 2awt s ARG 59 Cb -0.34 -0.23 -0.09 0.00 0.06 0.00 0.00 34.95 34.35 2awt s ARG 59 CO 0.39 -0.22 1.37 -0.06 -2.50 0.00 0.00 175.30 174.27 2awt s PHE 60 N 1.62 3.16 -0.02 5.12 0.40 -1.26 -4.33 117.98 122.67 2awt s PHE 60 Ca -0.04 1.13 -0.01 0.00 -0.60 0.00 0.00 56.93 57.41 2awt s PHE 60 Cb -0.12 -3.69 0.02 0.00 0.51 0.00 0.00 43.02 39.74 2awt s PHE 60 CO -0.06 -2.22 0.04 1.03 0.70 0.00 0.00 175.22 174.71 2awt s ARG 61 N -0.13 0.00 0.18 0.44 0.52 0.45 -4.11 118.95 116.30 2awt s ARG 61 Ca 0.58 0.15 0.06 0.00 -0.52 0.00 0.00 55.73 56.01 2awt s ARG 61 Cb -0.39 -0.14 -0.04 0.00 0.52 0.00 0.00 34.95 34.90 2awt s ARG 61 CO 0.40 -0.11 0.10 0.12 0.02 0.00 0.00 175.30 175.83 2awt s PHE 62 N 0.69 3.04 -0.83 -0.53 5.36 -1.19 -0.21 117.98 124.31 2awt s PHE 62 Ca -0.06 -0.07 -0.07 0.00 -0.96 0.00 0.00 56.93 55.78 2awt s PHE 62 Cb -0.08 -1.45 -0.12 0.00 -0.34 0.00 0.00 43.02 41.03 2awt s PHE 62 CO -0.02 0.52 2.72 -0.40 -1.46 0.00 0.00 175.22 176.58 2awt n ASP 63 N -0.41 5.98 0.00 6.13 5.68 -1.26 -2.98 116.55 129.68 2awt n ASP 63 Ca -0.09 -2.39 0.00 0.00 -0.50 0.00 0.00 54.79 51.81 2awt n ASP 63 Cb 0.55 -1.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.27 2awt n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2awt n GLY 64 N 3.28 0.02 3.61 6.12 0.00 -1.26 -5.16 105.19 111.81 2awt n GLY 64 Ca 0.53 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.49 2awt n GLY 64 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2awt s GLN 65 N -0.45 0.23 1.16 1.61 -2.07 -1.16 -5.18 119.66 113.80 2awt s GLN 65 Ca 0.00 -0.07 -0.18 0.00 -1.82 0.00 0.00 55.36 53.29 2awt s GLN 65 Cb 0.00 0.11 0.27 0.00 -1.09 0.00 0.00 33.01 32.29 2awt s GLN 65 CO 0.00 -0.10 1.10 -1.25 -1.32 0.00 0.00 175.29 173.73 2awt s PRO 66 N -2.16 -0.87 0.06 9.60 0.04 -1.26 -3.16 135.00 137.25 2awt s PRO 66 Ca 0.09 0.07 0.04 0.00 0.04 0.00 0.00 61.00 61.24 2awt s PRO 66 Cb -0.01 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 2awt s PRO 66 CO -0.04 -3.50 -0.11 0.42 0.04 0.00 0.00 177.00 173.81 2awt s ILE 67 N -2.99 0.81 0.31 0.56 1.01 -1.26 -4.87 121.20 114.77 2awt s ILE 67 Ca 0.70 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 2awt s ILE 67 Cb -0.12 -0.85 0.06 0.00 0.01 0.00 0.00 42.46 41.57 2awt s ILE 67 CO 0.56 -0.32 0.43 -3.20 0.00 0.00 0.00 174.94 172.41 2awt n ASN 68 N 1.34 0.47 0.03 3.58 4.05 -1.26 -4.94 115.26 118.52 2awt n ASN 68 Ca -0.22 -1.42 0.07 0.00 0.45 0.00 0.00 54.58 53.46 2awt n ASN 68 Cb 0.55 -0.29 -0.09 0.00 1.23 0.00 0.00 39.78 41.17 2awt n ASN 68 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 2awt n GLU 69 N -1.81 0.64 -2.37 1.20 0.28 -1.26 -4.36 120.64 112.96 2awt n GLU 69 Ca 0.07 0.01 -0.22 0.00 -0.16 0.00 0.00 57.16 56.86 2awt n GLU 69 Cb 0.24 -1.68 0.01 0.00 1.43 0.00 0.00 31.44 31.44 2awt n GLU 69 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2awt n THR 70 N -2.58 2.19 -4.92 3.84 5.66 -1.26 -5.00 114.28 112.21 2awt n THR 70 Ca -0.07 -4.33 -0.33 0.00 -3.05 0.00 0.00 64.05 56.28 2awt n THR 70 Cb 0.68 -0.81 -0.15 0.00 -1.55 0.00 0.00 70.33 68.50 2awt n THR 70 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2awt s ASP 71 N -3.54 3.75 0.39 1.09 1.11 -1.26 -5.13 116.67 113.09 2awt s ASP 71 Ca 0.45 -0.37 -0.03 0.00 0.18 0.00 0.00 52.55 52.78 2awt s ASP 71 Cb 0.40 -1.40 -0.04 0.00 1.07 0.00 0.00 42.92 42.95 2awt s ASP 71 CO -0.07 0.19 0.65 0.42 1.18 0.00 0.00 175.17 177.54 2awt s THR 72 N 0.16 5.01 -0.57 -1.27 -4.23 -1.26 -4.92 115.64 108.56 2awt s THR 72 Ca -0.09 -0.11 0.22 0.00 -1.18 0.00 0.00 61.69 60.53 2awt s THR 72 Cb -0.15 -3.85 0.22 0.00 1.34 0.00 0.00 72.50 70.06 2awt s THR 72 CO 0.06 -0.65 1.66 -0.81 -0.54 0.00 0.00 174.62 174.34 2awt n PRO 73 N -1.86 0.16 -0.07 3.99 -0.04 -1.26 -3.06 135.00 132.86 2awt n PRO 73 Ca -0.02 0.39 -0.12 0.00 -0.04 0.00 0.00 63.50 63.72 2awt n PRO 73 Cb 0.55 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 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 2.30 0.28 -0.53 0.55 0.00 -1.94 -2.68 119.26 117.24 2awt h ALA 74 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2awt h ALA 74 Cb 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2awt h ALA 74 CO 0.00 0.03 0.06 0.94 0.00 0.00 0.00 179.25 180.28 2awt n GLN 75 N -4.65 4.14 0.00 0.00 -0.06 -1.17 -3.93 117.38 111.71 2awt n GLN 75 Ca -0.04 -2.71 0.00 0.00 -2.00 0.00 0.00 57.00 52.25 2awt n GLN 75 Cb 0.26 -2.15 0.00 0.00 -4.06 0.00 0.00 30.24 24.29 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 0.39 0.00 -3.77 1.69 4.77 -1.13 -4.99 117.00 113.96 2awt n LEU 76 Ca 0.27 -0.46 -0.25 0.00 -0.03 0.00 0.00 56.01 55.54 2awt n LEU 76 Cb 1.12 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.22 2awt n LEU 76 CO 0.31 0.00 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.62 2awt n GLU 77 N -0.97 -3.50 -3.30 3.23 1.02 -1.03 -4.93 120.64 111.16 2awt n GLU 77 Ca 0.00 0.52 -0.27 0.00 -0.02 0.00 0.00 57.16 57.39 2awt n GLU 77 Cb 0.00 -4.75 -0.07 0.00 -0.02 0.00 0.00 31.44 26.60 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 -4.27 2.57 -1.25 3.49 0.00 -1.23 -5.05 117.12 111.38 2awt n MET 78 Ca -0.26 -4.62 0.00 0.00 0.00 0.00 0.00 57.70 52.82 2awt n MET 78 Cb 0.66 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.69 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 0.63 1.60 -3.48 3.17 1.02 -1.26 -4.60 120.64 117.71 2awt n GLU 79 Ca 0.30 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.25 2awt n GLU 79 Cb 0.42 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.92 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 -1.15 -3.34 -2.71 1.62 2.03 -1.26 -2.73 116.55 109.01 2awt n ASP 80 Ca 0.00 -0.60 -0.14 0.00 0.52 0.00 0.00 54.79 54.57 2awt n ASP 80 Cb 0.00 -5.10 0.06 0.00 -0.72 0.00 0.00 41.12 35.36 2awt n ASP 80 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2awt n GLU 81 N -4.40 -5.16 -2.66 -0.67 1.02 -1.13 -4.96 120.64 102.69 2awt n GLU 81 Ca -0.20 0.60 -0.43 0.00 -0.02 0.00 0.00 57.16 57.11 2awt n GLU 81 Cb 0.64 -4.90 -0.02 0.00 -0.02 0.00 0.00 31.44 27.14 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 -3.63 7.10 -0.40 1.62 -1.08 -1.01 -4.85 116.67 114.43 2awt s ASP 82 Ca 0.19 1.39 -0.19 0.00 -0.52 0.00 0.00 52.55 53.42 2awt s ASP 82 Cb -0.08 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.85 2awt s ASP 82 CO 0.52 -0.66 0.57 -0.89 0.52 0.00 0.00 175.17 175.22 2awt s THR 83 N 3.15 4.94 -0.37 1.71 2.01 -1.26 -2.03 115.64 123.79 2awt s THR 83 Ca 0.44 0.17 -0.22 0.00 0.31 0.00 0.00 61.69 62.40 2awt s THR 83 Cb -0.15 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2awt s THR 83 CO 0.07 -0.41 0.71 -0.63 -0.69 0.00 0.00 174.62 173.66 2awt s ILE 84 N 2.56 4.81 0.28 1.82 -1.09 -0.29 -4.80 121.20 124.49 2awt s ILE 84 Ca 0.20 0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 59.00 2awt s ILE 84 Cb -0.15 -4.15 -0.12 0.00 -1.58 0.00 0.00 42.46 36.46 2awt s ILE 84 CO 0.16 -0.40 1.45 0.47 -1.23 0.00 0.00 174.94 175.40 2awt n ASP 85 N 6.24 3.17 -3.80 3.58 8.00 0.71 -3.12 116.55 131.33 2awt n ASP 85 Ca 0.01 1.16 -0.13 0.00 0.71 0.00 0.00 54.79 56.54 2awt n ASP 85 Cb 0.48 -1.50 -0.12 0.00 -0.02 0.00 0.00 41.12 39.96 2awt n ASP 85 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2awt s VAL 86 N -0.28 0.00 -0.37 2.53 1.01 0.09 -0.41 120.40 122.98 2awt s VAL 86 Ca 0.64 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 2awt s VAL 86 Cb -0.58 -0.30 0.08 0.00 0.00 0.00 0.00 36.38 35.58 2awt s VAL 86 CO 0.52 -0.00 0.13 0.12 0.00 0.00 0.00 175.10 175.87 2awt s PHE 87 N 0.09 3.41 1.10 5.22 5.36 -1.26 -2.00 117.98 129.91 2awt s PHE 87 Ca -0.00 -2.00 -0.19 0.00 -0.96 0.00 0.00 56.93 53.78 2awt s PHE 87 Cb -0.02 -2.72 0.27 0.00 -0.34 0.00 0.00 43.02 40.22 2awt s PHE 87 CO 0.00 -0.87 1.11 1.04 -1.46 0.00 0.00 175.22 175.04 2awt n GLN 88 N 4.67 -2.53 -0.02 10.12 1.13 -1.26 -4.44 117.38 125.05 2awt n GLN 88 Ca -0.08 -1.75 -0.00 0.00 -1.94 0.00 0.00 57.00 53.23 2awt n GLN 88 Cb 0.43 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.24 2awt n GLN 88 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2awt n GLN 89 N -4.40 1.71 -4.31 -1.09 -0.06 -1.26 -4.61 117.38 103.36 2awt n GLN 89 Ca 0.15 -0.03 -0.18 0.00 -2.00 0.00 0.00 57.00 54.94 2awt n GLN 89 Cb 0.56 -1.16 -0.14 0.00 -4.06 0.00 0.00 30.24 25.43 2awt n GLN 89 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2awt s GLN 90 N -2.30 0.70 0.25 3.69 -0.21 -1.26 -5.09 119.66 115.44 2awt s GLN 90 Ca -0.03 -0.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.65 2awt s GLN 90 Cb 0.03 -0.66 -0.09 0.00 1.00 0.00 0.00 33.01 33.29 2awt s GLN 90 CO 0.27 0.17 0.94 0.99 -2.12 0.00 0.00 175.29 175.55 2awt s THR 91 N -0.40 4.08 -0.15 -0.19 2.01 -1.06 -4.35 115.64 115.58 2awt s THR 91 Ca 0.02 2.06 0.06 0.00 0.31 0.00 0.00 61.69 64.14 2awt s THR 91 Cb -0.05 -4.30 0.18 0.00 0.01 0.00 0.00 72.50 68.35 2awt s THR 91 CO -0.00 0.46 1.14 0.61 -0.69 0.00 0.00 174.62 176.15 2awt n GLY 92 N 1.40 1.02 0.00 4.40 0.00 -1.26 -4.99 105.19 105.76 2awt n GLY 92 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.70 3.17 0.10 -0.02 0.00 -1.22 -4.90 105.19 101.63 2awt n GLY 93 Ca -0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 2awt n GLY 93 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2awt h VAL 94 N 0.00 1.25 -0.03 1.61 -1.51 -1.96 -3.48 116.25 112.13 2awt h VAL 94 Ca 0.00 -2.77 0.00 0.00 -1.23 0.00 0.00 66.70 62.70 2awt h VAL 94 Cb 0.00 2.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 2awt h VAL 94 CO 0.00 0.71 0.00 -1.22 -1.23 0.00 0.00 177.57 175.83