#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 -0.47 0.50 3.04 0.00 -1.26 -5.16 121.76 118.41 2awt s ALA 2 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.68 2awt s ALA 2 Cb 0.00 0.20 -0.08 0.00 0.00 0.00 0.00 23.12 23.24 2awt s ALA 2 CO 0.00 -0.31 0.99 -0.51 0.00 0.00 0.00 175.76 175.92 2awt s ASP 3 N -1.77 6.61 -0.00 0.00 1.11 -1.26 -5.08 116.67 116.28 2awt s ASP 3 Ca -0.09 1.63 0.05 0.00 0.18 0.00 0.00 52.55 54.32 2awt s ASP 3 Cb -0.03 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.42 2awt s ASP 3 CO -0.01 -0.59 -0.15 -1.83 1.18 0.00 0.00 175.17 173.77 2awt s GLU 4 N -3.84 1.14 -0.43 8.23 -1.05 -1.26 -5.09 118.70 116.40 2awt s GLU 4 Ca 0.60 -0.57 0.06 0.00 -0.15 0.00 0.00 54.97 54.92 2awt s GLU 4 Cb -0.10 -1.12 0.22 0.00 -0.44 0.00 0.00 34.13 32.69 2awt s GLU 4 CO 0.27 0.30 0.48 1.63 0.95 0.00 0.00 175.26 178.89 2awt n LYS 5 N 2.57 0.73 -2.18 -4.83 5.02 -1.26 -5.11 118.16 113.10 2awt n LYS 5 Ca -0.15 -3.37 -0.42 0.00 -2.02 0.00 0.00 58.31 52.35 2awt n LYS 5 Cb 0.55 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 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 -0.89 4.28 -0.32 1.97 0.04 -1.26 -4.93 135.00 133.88 2awt s PRO 6 Ca 0.34 2.02 0.15 0.00 0.04 0.00 0.00 61.00 63.56 2awt s PRO 6 Cb 0.12 -3.53 0.47 0.00 0.04 0.00 0.00 34.50 31.60 2awt s PRO 6 CO -0.13 -0.57 1.06 0.36 0.04 0.00 0.00 177.00 177.76 2awt n LYS 7 N 5.17 2.13 -0.68 4.56 2.85 -1.26 -5.10 118.16 125.85 2awt n LYS 7 Ca 0.13 -3.71 -0.12 0.00 -1.05 0.00 0.00 58.31 53.56 2awt n LYS 7 Cb 0.43 -1.70 0.09 0.00 -0.65 0.00 0.00 35.03 33.20 2awt n LYS 7 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2awt n GLU 8 N -0.39 -0.95 0.00 -1.58 1.02 -1.26 -5.10 120.64 112.39 2awt n GLU 8 Ca 0.20 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.53 2awt n GLU 8 Cb 0.80 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 2awt n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2awt n GLY 9 N 0.83 3.73 1.79 0.62 0.00 -1.26 -5.04 105.19 105.85 2awt n GLY 9 Ca 0.07 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.28 1.82 -3.60 1.61 0.24 -1.26 -5.06 118.33 111.80 2awt n VAL 10 Ca 0.00 -3.25 -0.08 0.00 -2.04 0.00 0.00 64.34 58.97 2awt n VAL 10 Cb 0.00 -0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.28 2awt n VAL 10 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2awt s LYS 11 N -3.06 1.25 -0.27 7.34 -2.85 -1.26 -5.14 119.74 115.75 2awt s LYS 11 Ca 0.40 -0.57 -0.01 0.00 -1.00 0.00 0.00 55.97 54.79 2awt s LYS 11 Cb 0.38 0.51 0.08 0.00 -2.06 0.00 0.00 37.83 36.74 2awt s LYS 11 CO -0.03 -0.56 0.07 0.95 0.10 0.00 0.00 175.35 175.87 2awt s THR 12 N -3.54 0.80 0.07 3.79 -4.23 -1.26 -5.11 115.64 106.16 2awt s THR 12 Ca 0.06 -1.11 -0.17 0.00 -1.18 0.00 0.00 61.69 59.29 2awt s THR 12 Cb -0.02 -1.47 0.03 0.00 1.34 0.00 0.00 72.50 72.38 2awt s THR 12 CO -0.05 -0.49 0.40 -1.61 -0.54 0.00 0.00 174.62 172.33 2awt s GLU 13 N 1.68 0.96 -0.23 3.99 2.02 -1.26 -5.06 118.70 120.81 2awt s GLU 13 Ca 0.05 -0.49 0.10 0.00 0.02 0.00 0.00 54.97 54.66 2awt s GLU 13 Cb -0.17 0.43 0.43 0.00 0.10 0.00 0.00 34.13 34.91 2awt s GLU 13 CO -0.19 -0.35 1.23 0.09 0.02 0.00 0.00 175.26 176.06 2awt n ASN 14 N 0.26 2.27 -0.01 -0.19 3.02 -1.26 -4.80 115.26 114.55 2awt n ASN 14 Ca -0.18 -3.88 -0.01 0.00 -0.03 0.00 0.00 54.58 50.49 2awt n ASN 14 Cb 0.61 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 39.27 2awt n ASN 14 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2awt n ASN 15 N -1.05 0.30 -3.60 6.41 2.85 -1.26 -5.09 115.26 113.82 2awt n ASN 15 Ca 0.24 0.30 -0.10 0.00 -0.11 0.00 0.00 54.58 54.91 2awt n ASN 15 Cb 0.75 -0.56 -0.02 0.00 1.24 0.00 0.00 39.78 41.19 2awt n ASN 15 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2awt s ASP 16 N -3.89 -0.44 -0.34 1.20 1.01 -1.26 -5.00 116.67 107.95 2awt s ASP 16 Ca -0.03 -0.24 0.06 0.00 0.71 0.00 0.00 52.55 53.06 2awt s ASP 16 Cb 0.00 0.64 0.19 0.00 1.01 0.00 0.00 42.92 44.76 2awt s ASP 16 CO 0.04 -1.09 0.62 -1.38 0.21 0.00 0.00 175.17 173.57 2awt s HIS 17 N -3.77 -1.76 0.20 4.23 -3.43 -1.26 -3.51 115.29 105.99 2awt s HIS 17 Ca 0.05 0.73 0.01 0.00 -0.80 0.00 0.00 55.06 55.05 2awt s HIS 17 Cb -0.03 0.31 0.04 0.00 -1.43 0.00 0.00 32.58 31.47 2awt s HIS 17 CO -0.05 -1.09 0.27 0.44 -2.00 0.00 0.00 174.74 172.31 2awt n ILE 18 N 5.00 0.00 -4.30 -5.38 -5.35 0.11 -4.86 119.36 104.56 2awt n ILE 18 Ca 0.07 -0.48 -0.25 0.00 -0.27 0.00 0.00 62.75 61.83 2awt n ILE 18 Cb 0.55 -1.14 -0.17 0.00 -1.74 0.00 0.00 39.64 37.15 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 -2.14 1.80 0.02 7.28 3.84 -1.26 -3.06 114.94 121.42 2awt s ASN 19 Ca 0.19 -0.28 0.08 0.00 0.21 0.00 0.00 52.86 53.06 2awt s ASN 19 Cb -0.01 -0.78 -0.02 0.00 -0.55 0.00 0.00 41.25 39.89 2awt s ASN 19 CO 0.12 -0.03 -0.23 -0.76 -2.79 0.00 0.00 177.10 173.42 2awt s LEU 20 N 1.05 2.12 -0.20 3.21 2.01 0.10 -2.74 118.68 124.23 2awt s LEU 20 Ca -0.08 -0.49 -0.03 0.00 0.01 0.00 0.00 54.13 53.54 2awt s LEU 20 Cb -0.15 -1.11 0.06 0.00 0.01 0.00 0.00 46.19 45.01 2awt s LEU 20 CO -0.01 0.22 0.04 -0.54 1.01 0.00 0.00 176.35 177.08 2awt s LYS 21 N -0.95 0.62 -0.75 1.70 1.02 -0.49 -0.44 119.74 120.45 2awt s LYS 21 Ca 0.09 -0.42 -0.16 0.00 0.02 0.00 0.00 55.97 55.50 2awt s LYS 21 Cb -0.09 -2.10 0.16 0.00 -0.52 0.00 0.00 37.83 35.29 2awt s LYS 21 CO 0.01 -0.65 0.78 0.08 -0.92 0.00 0.00 175.35 174.65 2awt s VAL 22 N 1.87 5.21 -0.17 3.17 1.01 -0.11 0.04 120.40 131.43 2awt s VAL 22 Ca -0.01 -1.83 -0.00 0.00 0.00 0.00 0.00 61.98 60.14 2awt s VAL 22 Cb -0.17 -4.51 -0.00 0.00 0.00 0.00 0.00 36.38 31.69 2awt s VAL 22 CO -0.08 -1.12 -0.14 0.00 0.00 0.00 0.00 175.10 173.76 2awt s ALA 23 N 1.42 2.54 0.27 5.51 0.00 -1.05 -0.09 121.76 130.35 2awt s ALA 23 Ca 0.17 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 2awt s ALA 23 Cb -0.15 -1.29 -0.09 0.00 0.00 0.00 0.00 23.12 21.58 2awt s ALA 23 CO -0.04 -0.10 1.02 0.20 0.00 0.00 0.00 175.76 176.84 2awt s GLY 24 N 0.92 3.08 0.62 0.00 0.00 0.95 -3.05 107.32 109.85 2awt s GLY 24 Ca -0.03 0.76 0.42 0.00 0.00 0.00 0.00 44.72 45.87 2awt s GLY 24 CO -0.01 1.35 2.27 -1.61 0.00 0.00 0.00 173.10 175.10 2awt h GLN 25 N 3.92 0.00 0.00 2.90 4.15 -1.86 -3.10 115.11 121.12 2awt h GLN 25 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2awt h GLN 25 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2awt h GLN 25 CO 0.67 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.32 2awt n ASP 26 N -2.96 0.00 -2.68 -0.69 8.00 -1.26 -4.93 116.55 112.03 2awt n ASP 26 Ca -0.03 0.34 -0.06 0.00 0.71 0.00 0.00 54.79 55.75 2awt n ASP 26 Cb 0.07 -0.32 0.08 0.00 -0.02 0.00 0.00 41.12 40.92 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2awt n GLY 27 N 2.10 0.68 3.17 0.44 0.00 -1.21 -5.02 105.19 105.35 2awt n GLY 27 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.87 1.83 -0.20 1.61 0.15 -1.18 -4.52 113.70 110.52 2awt s SER 28 Ca 0.16 -0.52 -0.05 0.00 0.70 0.00 0.00 55.95 56.24 2awt s SER 28 Cb 0.29 -0.11 0.10 0.00 -1.71 0.00 0.00 66.02 64.59 2awt s SER 28 CO -0.07 0.03 0.39 -0.69 1.20 0.00 0.00 173.24 174.10 2awt s VAL 29 N -0.96 -0.61 0.12 4.45 1.01 -1.26 -0.03 120.40 123.12 2awt s VAL 29 Ca 0.02 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.17 2awt s VAL 29 Cb -0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2awt s VAL 29 CO 0.02 0.02 -0.14 -0.69 0.00 0.00 0.00 175.10 174.30 2awt s VAL 30 N 2.57 1.37 -0.06 2.92 1.01 0.87 -4.92 120.40 124.16 2awt s VAL 30 Ca 0.03 -1.73 -0.04 0.00 0.00 0.00 0.00 61.98 60.25 2awt s VAL 30 Cb -0.13 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.73 2awt s VAL 30 CO -0.13 -0.40 0.14 0.00 0.00 0.00 0.00 175.10 174.71 2awt s GLN 31 N -2.66 0.12 0.19 2.72 -2.07 -1.26 -0.93 119.66 115.76 2awt s GLN 31 Ca 0.09 0.30 -0.12 0.00 -1.82 0.00 0.00 55.36 53.81 2awt s GLN 31 Cb -0.05 -0.08 0.00 0.00 -1.09 0.00 0.00 33.01 31.79 2awt s GLN 31 CO 0.03 -0.11 0.39 -0.06 -1.32 0.00 0.00 175.29 174.22 2awt s PHE 32 N 0.75 0.24 -0.03 9.60 0.40 0.41 -5.00 117.98 124.35 2awt s PHE 32 Ca -0.06 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 55.66 2awt s PHE 32 Cb -0.07 0.12 0.02 0.00 0.51 0.00 0.00 43.02 43.60 2awt s PHE 32 CO -0.04 -0.82 0.07 -1.59 0.70 0.00 0.00 175.22 173.54 2awt s LYS 33 N -3.95 0.02 0.29 0.44 -2.85 -1.26 -0.73 119.74 111.71 2awt s LYS 33 Ca 0.16 0.20 -0.20 0.00 -1.00 0.00 0.00 55.97 55.12 2awt s LYS 33 Cb 0.01 -0.14 0.03 0.00 -2.06 0.00 0.00 37.83 35.67 2awt s LYS 33 CO 0.01 -0.12 0.76 -1.50 0.10 0.00 0.00 175.35 174.60 2awt s ILE 34 N 0.76 0.00 1.05 3.79 2.07 -1.17 -4.95 121.20 122.75 2awt s ILE 34 Ca -0.06 -0.97 -0.12 0.00 -1.41 0.00 0.00 60.65 58.09 2awt s ILE 34 Cb -0.09 -2.22 0.19 0.00 0.13 0.00 0.00 42.46 40.48 2awt s ILE 34 CO -0.03 0.00 0.91 0.29 -1.91 0.00 0.00 174.94 174.20 2awt n LYS 35 N -0.48 -1.39 0.00 3.50 5.02 -1.23 0.04 118.16 123.62 2awt n LYS 35 Ca -0.05 -0.36 0.15 0.00 -2.02 0.00 0.00 58.31 56.03 2awt n LYS 35 Cb 0.59 -2.17 0.81 0.00 -0.02 0.00 0.00 35.03 34.24 2awt n LYS 35 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2awt n ARG 36 N -4.08 0.85 -2.43 1.97 1.85 -1.26 -3.67 116.66 109.88 2awt n ARG 36 Ca 0.07 -0.12 -0.23 0.00 -1.00 0.00 0.00 57.85 56.56 2awt n ARG 36 Cb 0.54 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.46 2awt n ARG 36 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2awt n HIS 37 N -0.97 2.95 -4.52 2.89 1.44 -1.26 -2.73 115.22 113.02 2awt n HIS 37 Ca 0.19 -2.88 -0.34 0.00 -2.01 0.00 0.00 57.72 52.69 2awt n HIS 37 Cb 0.19 -0.17 -0.12 0.00 0.12 0.00 0.00 29.99 30.02 2awt n HIS 37 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2awt s THR 38 N -5.02 3.77 -0.32 0.61 2.01 -1.24 -5.07 115.64 110.38 2awt s THR 38 Ca 0.45 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 2awt s THR 38 Cb 0.41 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2awt s THR 38 CO -0.11 0.54 1.68 -2.16 -0.69 0.00 0.00 174.62 173.88 2awt s PRO 39 N -0.18 3.48 0.60 4.92 0.04 -1.26 -4.72 135.00 137.88 2awt s PRO 39 Ca 0.03 1.38 0.29 0.00 0.04 0.00 0.00 61.00 62.73 2awt s PRO 39 Cb -0.13 -4.13 1.43 0.00 0.04 0.00 0.00 34.50 31.71 2awt s PRO 39 CO 0.03 -1.68 1.83 -0.07 0.04 0.00 0.00 177.00 177.15 2awt h LEU 40 N 12.96 0.00 -0.38 -3.56 3.38 -1.80 -1.85 115.31 124.05 2awt h LEU 40 Ca -0.32 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.72 2awt h LEU 40 Cb 1.15 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 2awt h LEU 40 CO 1.03 0.00 -0.34 -1.28 0.09 0.00 0.00 178.44 177.94 2awt h SER 41 N 0.00 -1.13 -0.98 -0.43 0.87 -1.89 0.29 113.55 110.28 2awt h SER 41 Ca 0.23 0.19 0.25 0.00 -1.23 0.00 0.00 61.79 61.24 2awt h SER 41 Cb 1.34 0.52 -0.07 0.00 -0.44 0.00 0.00 62.40 63.76 2awt h SER 41 CO -0.00 -0.33 0.66 0.07 -0.53 0.00 0.00 176.83 176.70 2awt h LYS 42 N -0.28 0.27 0.02 2.24 5.09 -1.74 0.15 116.57 122.32 2awt h LYS 42 Ca 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 60.65 60.88 2awt h LYS 42 Cb 0.55 -0.06 0.00 0.00 0.10 0.00 0.00 32.23 32.82 2awt h LYS 42 CO -0.53 0.18 -0.01 1.25 -2.09 0.00 0.00 179.45 178.25 2awt h LEU 43 N 0.28 -0.02 -0.08 7.07 5.85 -0.67 -3.00 115.31 124.74 2awt h LEU 43 Ca 0.51 -0.68 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2awt h LEU 43 Cb 1.52 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 2awt h LEU 43 CO -0.16 0.69 -0.07 -0.03 -0.34 0.00 0.00 178.44 178.53 2awt h MET 44 N -0.76 -0.09 -0.24 1.25 4.05 0.34 0.24 114.93 119.72 2awt h MET 44 Ca -0.00 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.48 2awt h MET 44 Cb 0.70 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.45 2awt h MET 44 CO 0.00 -0.06 -0.30 0.87 0.23 0.00 0.00 176.91 177.66 2awt h LYS 45 N -0.09 -0.30 -0.23 0.39 1.79 -0.88 -0.52 116.57 116.73 2awt h LYS 45 Ca 0.06 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 2awt h LYS 45 Cb 0.17 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2awt h LYS 45 CO -0.14 -0.20 0.11 0.00 -1.08 0.00 0.00 179.45 178.14 2awt h ALA 46 N 0.63 0.29 0.00 3.86 0.00 -1.35 -1.33 119.26 121.37 2awt h ALA 46 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2awt h ALA 46 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2awt h ALA 46 CO -0.42 -0.14 -0.05 -0.92 0.00 0.00 0.00 179.25 177.73 2awt h TYR 47 N 0.23 -0.14 -0.98 0.00 5.03 0.11 -1.96 116.97 119.27 2awt h TYR 47 Ca 0.08 0.00 0.19 0.00 2.58 0.00 0.00 58.73 61.58 2awt h TYR 47 Cb 0.13 0.06 -0.09 0.00 1.55 0.00 0.00 36.73 38.37 2awt h TYR 47 CO -0.02 -0.05 0.61 0.00 -1.32 0.00 0.00 178.16 177.38 2awt h GLU 49 N 0.68 0.02 0.00 0.00 4.39 -0.48 0.71 114.58 119.90 2awt h GLU 49 Ca 0.54 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.24 2awt h GLU 49 Cb 0.95 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2awt h GLU 49 CO -0.31 0.01 -0.60 2.89 -1.16 0.00 0.00 179.01 179.84 2awt n ARG 50 N -4.28 3.32 -2.54 2.33 1.85 0.63 -4.63 116.66 113.33 2awt n ARG 50 Ca 0.19 -0.01 -0.15 0.00 -1.00 0.00 0.00 57.85 56.87 2awt n ARG 50 Cb 0.95 -1.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.39 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 -1.31 2.30 -1.36 2.89 1.13 0.12 -4.98 117.38 116.17 2awt n GLN 51 Ca 0.01 -3.81 -0.39 0.00 -1.94 0.00 0.00 57.00 50.87 2awt n GLN 51 Cb 0.17 -1.77 -0.02 0.00 0.11 0.00 0.00 30.24 28.73 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 -0.38 3.67 0.11 1.08 0.00 0.22 -4.42 105.19 105.47 2awt n GLY 52 Ca 0.23 -1.38 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 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 5.85 1.69 -3.20 0.99 4.77 -1.26 -4.85 117.00 120.99 2awt n LEU 53 Ca 0.55 0.21 0.01 0.00 -0.03 0.00 0.00 56.01 56.75 2awt n LEU 53 Cb 0.33 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 2awt n LEU 53 CO 0.91 0.65 0.08 -0.44 -1.33 0.00 0.00 177.39 177.26 2awt s SER 54 N -6.42 -1.45 0.60 -1.43 0.01 -1.26 -4.78 113.70 98.97 2awt s SER 54 Ca -0.16 -0.54 0.31 0.00 1.31 0.00 0.00 55.95 56.88 2awt s SER 54 Cb 0.07 1.93 1.84 0.00 0.21 0.00 0.00 66.02 70.07 2awt s SER 54 CO 0.78 -0.21 2.20 -0.03 0.41 0.00 0.00 173.24 176.38 2awt h MET 55 N 7.29 0.00 -0.62 12.44 4.05 -1.92 0.32 114.93 136.49 2awt h MET 55 Ca 0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2awt h MET 55 Cb 1.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 2awt h MET 55 CO 0.12 0.00 0.00 0.54 0.23 0.00 0.00 176.91 177.80 2awt n ARG 56 N -3.68 2.99 0.00 0.39 1.74 -1.26 -4.26 116.66 112.58 2awt n ARG 56 Ca -0.01 -2.25 0.00 0.00 -0.77 0.00 0.00 57.85 54.82 2awt n ARG 56 Cb 0.19 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 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 0.96 0.00 -1.63 5.56 7.27 0.89 -5.02 117.38 125.40 2awt n GLN 57 Ca 0.20 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.85 2awt n GLN 57 Cb 0.68 -0.77 -0.03 0.00 2.41 0.00 0.00 30.24 32.53 2awt n GLN 57 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2awt s ILE 58 N -1.70 3.00 -0.12 1.69 -1.09 0.17 -4.50 121.20 118.65 2awt s ILE 58 Ca 0.00 0.00 -0.29 0.00 -2.23 0.00 0.00 60.65 58.13 2awt s ILE 58 Cb 0.00 -3.00 0.07 0.00 -1.58 0.00 0.00 42.46 37.95 2awt s ILE 58 CO 0.00 -0.00 0.69 -0.60 -1.23 0.00 0.00 174.94 173.80 2awt s ARG 59 N 5.50 0.99 -0.04 2.79 6.06 -1.24 -4.97 118.95 128.04 2awt s ARG 59 Ca 0.95 0.49 -0.27 0.00 -2.50 0.00 0.00 55.73 54.41 2awt s ARG 59 Cb -0.38 0.47 -0.03 0.00 0.06 0.00 0.00 34.95 35.07 2awt s ARG 59 CO 0.38 -0.26 0.84 -0.06 -2.50 0.00 0.00 175.30 173.70 2awt s PHE 60 N -0.70 3.61 -0.14 5.12 0.08 -1.26 -3.26 117.98 121.44 2awt s PHE 60 Ca -0.08 1.46 -0.06 0.00 0.12 0.00 0.00 56.93 58.38 2awt s PHE 60 Cb -0.02 -2.96 0.06 0.00 -0.57 0.00 0.00 43.02 39.53 2awt s PHE 60 CO 0.07 0.03 0.31 1.03 -0.10 0.00 0.00 175.22 176.56 2awt s ARG 61 N 0.93 0.24 0.17 0.44 1.81 -0.90 -3.90 118.95 117.74 2awt s ARG 61 Ca 0.44 0.70 0.06 0.00 -1.72 0.00 0.00 55.73 55.21 2awt s ARG 61 Cb -0.19 -0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.24 2awt s ARG 61 CO 0.23 -0.20 0.09 0.12 -0.68 0.00 0.00 175.30 174.85 2awt s PHE 62 N 1.75 3.05 -1.10 -0.53 5.36 -1.19 -1.30 117.98 124.02 2awt s PHE 62 Ca -0.06 -0.06 -0.08 0.00 -0.96 0.00 0.00 56.93 55.78 2awt s PHE 62 Cb -0.11 -1.47 -0.10 0.00 -0.34 0.00 0.00 43.02 41.01 2awt s PHE 62 CO -0.10 0.52 2.67 -0.25 -1.46 0.00 0.00 175.22 176.60 2awt n ASP 63 N -0.27 6.65 0.00 6.13 9.92 -1.26 -3.03 116.55 134.68 2awt n ASP 63 Ca -0.09 -2.43 0.00 0.00 -0.53 0.00 0.00 54.79 51.74 2awt n ASP 63 Cb 0.55 -1.33 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 3.48 0.04 3.54 0.44 0.00 -1.26 -5.16 105.19 106.26 2awt n GLY 64 Ca 0.59 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.55 0.78 1.18 1.61 -0.21 -1.17 -5.18 119.66 116.13 2awt s GLN 65 Ca 0.00 -0.31 -0.18 0.00 0.02 0.00 0.00 55.36 54.89 2awt s GLN 65 Cb 0.00 0.35 0.28 0.00 1.00 0.00 0.00 33.01 34.63 2awt s GLN 65 CO 0.00 -0.35 1.11 -1.25 -2.12 0.00 0.00 175.29 172.68 2awt s PRO 66 N -3.04 -1.05 -0.08 2.91 0.04 -1.26 -3.14 135.00 129.38 2awt s PRO 66 Ca 0.06 0.00 -0.04 0.00 0.04 0.00 0.00 61.00 61.06 2awt s PRO 66 Cb -0.01 -1.61 0.04 0.00 0.04 0.00 0.00 34.50 32.96 2awt s PRO 66 CO -0.08 -3.61 0.18 0.42 0.04 0.00 0.00 177.00 173.95 2awt s ILE 67 N -3.00 -0.04 0.28 0.56 1.01 -1.25 -4.82 121.20 113.93 2awt s ILE 67 Ca 0.70 0.15 0.08 0.00 0.00 0.00 0.00 60.65 61.58 2awt s ILE 67 Cb -0.11 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 2awt s ILE 67 CO 0.56 0.06 0.15 0.20 0.00 0.00 0.00 174.94 175.91 2awt s ASN 68 N 1.06 5.13 0.55 3.58 0.01 -1.26 -4.76 114.94 119.25 2awt s ASN 68 Ca -0.08 -0.45 0.32 0.00 -0.71 0.00 0.00 52.86 51.93 2awt s ASN 68 Cb -0.10 -1.11 1.57 0.00 0.41 0.00 0.00 41.25 42.02 2awt s ASN 68 CO -0.06 -0.11 2.09 1.05 -1.51 0.00 0.00 177.10 178.56 2awt h GLU 69 N 1.57 0.00 -0.74 -0.60 9.09 -2.00 -2.14 114.58 119.76 2awt h GLU 69 Ca -0.46 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 58.59 2awt h GLU 69 Cb 1.25 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 28.13 2awt h GLU 69 CO 0.61 0.08 0.36 -2.37 0.05 0.00 0.00 179.01 177.73 2awt n THR 70 N -3.39 2.94 -4.77 -1.06 5.66 -1.26 -4.34 114.28 108.06 2awt n THR 70 Ca -0.01 -2.14 -0.33 0.00 -3.05 0.00 0.00 64.05 58.51 2awt n THR 70 Cb 0.24 -0.40 -0.14 0.00 -1.55 0.00 0.00 70.33 68.48 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 -1.68 4.09 0.21 1.09 1.11 -0.81 -5.12 116.67 115.57 2awt s ASP 71 Ca 0.52 -0.28 0.04 0.00 0.18 0.00 0.00 52.55 53.01 2awt s ASP 71 Cb 0.45 -1.49 -0.03 0.00 1.07 0.00 0.00 42.92 42.91 2awt s ASP 71 CO 0.08 0.20 0.34 0.42 1.18 0.00 0.00 175.17 177.39 2awt s THR 72 N 0.15 5.27 0.23 -1.27 -4.23 -1.26 -4.57 115.64 109.96 2awt s THR 72 Ca -0.06 -0.85 0.23 0.00 -1.18 0.00 0.00 61.69 59.82 2awt s THR 72 Cb -0.15 -3.82 0.21 0.00 1.34 0.00 0.00 72.50 70.08 2awt s THR 72 CO 0.05 -0.25 1.86 1.55 -0.54 0.00 0.00 174.62 177.28 2awt h PRO 73 N 1.51 0.00 -0.24 3.99 0.13 -1.85 -2.91 132.00 132.63 2awt h PRO 73 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2awt h PRO 73 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2awt h PRO 73 CO 0.64 0.25 0.13 0.00 -0.23 0.00 0.00 178.00 178.79 2awt h ALA 74 N 1.75 0.31 -0.41 -0.56 0.00 -1.90 0.16 119.26 118.61 2awt h ALA 74 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2awt h ALA 74 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2awt h ALA 74 CO 0.03 -0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.17 2awt n GLN 75 N -4.85 2.50 -0.00 0.00 6.02 -1.19 -3.74 117.38 116.12 2awt n GLN 75 Ca -0.03 -1.69 0.02 0.00 -0.01 0.00 0.00 57.00 55.28 2awt n GLN 75 Cb 0.08 -1.57 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 2awt n GLN 75 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2awt n LEU 76 N 0.64 0.02 -3.40 1.08 7.99 -0.88 -4.97 117.00 117.48 2awt n LEU 76 Ca 0.15 -0.07 -0.23 0.00 -0.01 0.00 0.00 56.01 55.85 2awt n LEU 76 Cb 0.54 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.91 2awt n LEU 76 CO 0.14 0.00 0.17 -0.62 -1.51 0.00 0.00 177.39 175.57 2awt n GLU 77 N -1.54 -6.98 -2.43 3.23 -0.58 -0.01 -4.91 120.64 107.42 2awt n GLU 77 Ca -0.00 0.86 -0.37 0.00 -0.42 0.00 0.00 57.16 57.22 2awt n GLU 77 Cb 0.08 -5.85 0.02 0.00 -0.57 0.00 0.00 31.44 25.12 2awt n GLU 77 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2awt n MET 78 N -4.69 4.01 -1.17 3.49 0.00 -1.20 -4.98 117.12 112.59 2awt n MET 78 Ca -0.03 -4.30 0.00 0.00 0.00 0.00 0.00 57.70 53.37 2awt n MET 78 Cb 0.58 -2.35 0.00 0.00 0.00 0.00 0.00 33.22 31.45 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 -0.30 2.77 -3.39 3.17 4.71 -1.26 -4.44 120.64 121.90 2awt n GLU 79 Ca 0.46 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 57.44 2awt n GLU 79 Cb 0.31 0.00 0.09 0.00 -1.01 0.00 0.00 31.44 30.83 2awt n GLU 79 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2awt n ASP 80 N -0.64 -2.19 -2.66 1.62 8.00 -1.26 -2.60 116.55 116.81 2awt n ASP 80 Ca 0.00 -0.60 -0.17 0.00 0.71 0.00 0.00 54.79 54.73 2awt n ASP 80 Cb 0.00 -4.97 0.05 0.00 -0.02 0.00 0.00 41.12 36.18 2awt n ASP 80 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2awt n GLU 81 N -4.06 -5.38 -1.93 -1.24 1.02 -1.19 -4.93 120.64 102.94 2awt n GLU 81 Ca -0.27 0.62 -0.42 0.00 -0.02 0.00 0.00 57.16 57.07 2awt n GLU 81 Cb 0.66 -4.99 -0.03 0.00 -0.02 0.00 0.00 31.44 27.06 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 -3.14 6.61 -0.58 1.62 2.15 -1.07 -4.79 116.67 117.46 2awt s ASP 82 Ca 0.39 2.46 -0.19 0.00 0.43 0.00 0.00 52.55 55.64 2awt s ASP 82 Cb -0.17 -2.56 0.10 0.00 -0.30 0.00 0.00 42.92 39.99 2awt s ASP 82 CO 0.48 -0.90 0.68 -0.89 -0.17 0.00 0.00 175.17 174.37 2awt s THR 83 N 2.87 4.86 -0.22 1.71 2.01 -1.26 -1.39 115.64 124.23 2awt s THR 83 Ca 0.74 -1.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 2awt s THR 83 Cb -0.39 -4.46 -0.02 0.00 0.01 0.00 0.00 72.50 67.63 2awt s THR 83 CO 0.32 -1.08 0.62 -0.63 -0.69 0.00 0.00 174.62 173.16 2awt s ILE 84 N 2.57 5.02 0.28 1.82 1.01 0.11 -4.77 121.20 127.24 2awt s ILE 84 Ca 0.11 1.14 -0.29 0.00 0.00 0.00 0.00 60.65 61.60 2awt s ILE 84 Cb -0.24 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.20 2awt s ILE 84 CO 0.06 0.09 1.20 -1.81 0.00 0.00 0.00 174.94 174.48 2awt s ASP 85 N 1.28 7.05 0.18 3.58 1.11 -0.42 -2.52 116.67 126.93 2awt s ASP 85 Ca 0.27 2.42 0.09 0.00 0.18 0.00 0.00 52.55 55.51 2awt s ASP 85 Cb -0.16 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.16 2awt s ASP 85 CO 0.10 -0.33 -0.10 0.54 1.18 0.00 0.00 175.17 176.56 2awt s VAL 86 N -0.95 3.16 -0.36 -1.27 0.11 -1.17 -2.12 120.40 117.80 2awt s VAL 86 Ca 0.48 -1.65 0.01 0.00 -2.93 0.00 0.00 61.98 57.88 2awt s VAL 86 Cb -0.35 -2.56 0.10 0.00 -1.53 0.00 0.00 36.38 32.04 2awt s VAL 86 CO 0.45 -0.10 0.09 0.12 -3.33 0.00 0.00 175.10 172.33 2awt s PHE 87 N -1.67 3.63 0.11 1.54 5.36 -1.20 -3.98 117.98 121.77 2awt s PHE 87 Ca 0.24 -2.66 0.07 0.00 -0.96 0.00 0.00 56.93 53.62 2awt s PHE 87 Cb -0.09 -2.91 -0.03 0.00 -0.34 0.00 0.00 43.02 39.64 2awt s PHE 87 CO 0.15 -0.94 -0.17 1.14 -1.46 0.00 0.00 175.22 173.93 2awt s GLN 88 N 1.03 1.05 0.35 10.12 -2.07 -1.26 -2.37 119.66 126.51 2awt s GLN 88 Ca 0.07 -1.16 0.04 0.00 -1.82 0.00 0.00 55.36 52.50 2awt s GLN 88 Cb -0.21 -1.14 -0.01 0.00 -1.09 0.00 0.00 33.01 30.56 2awt s GLN 88 CO -0.06 0.25 0.51 -1.14 -1.32 0.00 0.00 175.29 173.53 2awt s GLN 89 N -2.14 3.19 -0.93 9.60 -0.44 -1.26 -5.02 119.66 122.66 2awt s GLN 89 Ca 0.06 -0.78 -0.06 0.00 -2.50 0.00 0.00 55.36 52.08 2awt s GLN 89 Cb -0.08 -2.75 0.23 0.00 -1.64 0.00 0.00 33.01 28.76 2awt s GLN 89 CO 0.04 0.05 0.85 1.14 0.50 0.00 0.00 175.29 177.86 2awt s GLN 90 N -4.25 3.53 -0.13 1.67 0.00 -1.26 -4.76 119.66 114.46 2awt s GLN 90 Ca 0.44 -3.08 0.13 0.00 -0.00 0.00 0.00 55.36 52.85 2awt s GLN 90 Cb -0.10 -4.18 -0.18 0.00 0.00 0.00 0.00 33.01 28.56 2awt s GLN 90 CO 0.33 -1.25 0.06 -2.37 0.00 0.00 0.00 175.29 172.06 2awt n THR 91 N 2.78 0.93 0.00 3.63 5.66 -1.26 -4.87 114.28 121.15 2awt n THR 91 Ca 0.20 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 2awt n THR 91 Cb 0.39 -0.59 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 2awt n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2awt n GLY 92 N 2.10 0.00 0.00 1.09 0.00 -1.26 -5.10 105.19 102.02 2awt n GLY 92 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 1.99 0.40 0.10 -0.02 0.00 -1.26 -5.07 105.19 101.33 2awt n GLY 93 Ca 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 2awt n GLY 93 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2awt n VAL 94 N 0.00 0.27 -0.47 1.61 0.31 -1.26 -4.98 118.33 113.81 2awt n VAL 94 Ca 0.00 0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 2awt n VAL 94 Cb 0.00 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 2awt n VAL 94 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29