#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 3.49 1.12 3.17 0.00 -1.26 -5.08 121.76 123.20 2awt s ALA 2 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 2awt s ALA 2 Cb 0.00 -2.68 0.26 0.00 0.00 0.00 0.00 23.12 20.70 2awt s ALA 2 CO 0.00 -0.08 1.19 -0.51 0.00 0.00 0.00 175.76 176.36 2awt s ASP 3 N 0.72 1.68 0.55 0.00 1.11 -1.26 -5.09 116.67 114.39 2awt s ASP 3 Ca 0.26 0.49 0.05 0.00 0.18 0.00 0.00 52.55 53.53 2awt s ASP 3 Cb -0.15 -0.66 0.04 0.00 1.07 0.00 0.00 42.92 43.22 2awt s ASP 3 CO 0.10 -3.64 0.40 -1.61 1.18 0.00 0.00 175.17 171.60 2awt s GLU 4 N -5.59 2.24 -0.50 8.23 2.02 -1.26 -5.11 118.70 118.74 2awt s GLU 4 Ca 0.72 -2.06 0.06 0.00 0.02 0.00 0.00 54.97 53.72 2awt s GLU 4 Cb -0.07 -2.08 0.22 0.00 0.10 0.00 0.00 34.13 32.30 2awt s GLU 4 CO 0.55 -0.64 0.79 1.17 0.02 0.00 0.00 175.26 177.15 2awt n LYS 5 N -1.78 0.66 -1.48 1.61 0.00 -1.26 -5.15 118.16 110.76 2awt n LYS 5 Ca -0.02 -1.97 -0.32 0.00 0.00 0.00 0.00 58.31 56.00 2awt n LYS 5 Cb 0.64 -1.47 0.07 0.00 0.00 0.00 0.00 35.03 34.28 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2awt s PRO 6 N 0.67 2.49 -0.11 1.64 0.04 -1.26 -5.00 135.00 133.47 2awt s PRO 6 Ca 0.31 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.58 2awt s PRO 6 Cb 0.13 -1.92 -0.26 0.00 0.04 0.00 0.00 34.50 32.49 2awt s PRO 6 CO -0.16 -1.47 0.42 1.63 0.04 0.00 0.00 177.00 177.45 2awt n LYS 7 N -3.04 0.75 -1.61 4.56 5.02 -1.26 -4.53 118.16 118.05 2awt n LYS 7 Ca 0.10 0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 56.24 2awt n LYS 7 Cb 0.53 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 2awt n LYS 7 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2awt n GLU 8 N -3.43 2.37 -0.01 1.97 -0.58 -1.26 -4.38 120.64 115.33 2awt n GLU 8 Ca -0.30 -2.39 0.06 0.00 -0.42 0.00 0.00 57.16 54.11 2awt n GLU 8 Cb 1.05 -3.20 -0.09 0.00 -0.57 0.00 0.00 31.44 28.63 2awt n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2awt n GLY 9 N 4.41 -0.53 2.93 0.62 0.00 -1.26 -4.97 105.19 106.38 2awt n GLY 9 Ca 0.51 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.80 0.47 0.08 1.61 1.01 -1.26 -5.15 120.40 114.36 2awt s VAL 10 Ca -0.04 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 2awt s VAL 10 Cb 0.08 -0.44 0.07 0.00 0.00 0.00 0.00 36.38 36.09 2awt s VAL 10 CO 0.52 0.17 0.63 -0.75 0.00 0.00 0.00 175.10 175.66 2awt s LYS 11 N 0.30 1.20 -0.23 2.72 2.47 -1.26 -5.15 119.74 119.79 2awt s LYS 11 Ca -0.03 -0.20 0.02 0.00 -1.56 0.00 0.00 55.97 54.19 2awt s LYS 11 Cb -0.07 0.56 0.05 0.00 -1.46 0.00 0.00 37.83 36.90 2awt s LYS 11 CO -0.00 -0.48 -0.11 0.95 0.16 0.00 0.00 175.35 175.87 2awt s THR 12 N -2.81 1.93 -0.05 3.43 -4.23 -1.26 -5.09 115.64 107.56 2awt s THR 12 Ca -0.03 -1.31 -0.31 0.00 -1.18 0.00 0.00 61.69 58.85 2awt s THR 12 Cb -0.01 -2.00 0.13 0.00 1.34 0.00 0.00 72.50 71.96 2awt s THR 12 CO -0.05 0.10 1.30 -0.70 -0.54 0.00 0.00 174.62 174.74 2awt s GLU 13 N 1.25 0.33 -0.78 3.99 2.12 -1.26 -5.09 118.70 119.26 2awt s GLU 13 Ca -0.04 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.13 2awt s GLU 13 Cb -0.18 0.12 0.23 0.00 0.26 0.00 0.00 34.13 34.56 2awt s GLU 13 CO -0.07 -0.15 0.81 0.27 -0.54 0.00 0.00 175.26 175.58 2awt n ASN 14 N -0.44 4.10 -3.31 -1.70 0.23 -1.26 -5.04 115.26 107.84 2awt n ASN 14 Ca -0.08 -3.32 -0.20 0.00 -0.53 0.00 0.00 54.58 50.46 2awt n ASN 14 Cb 0.62 -0.87 -0.06 0.00 -2.08 0.00 0.00 39.78 37.39 2awt n ASN 14 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2awt n ASN 15 N 1.51 0.65 -4.82 0.53 4.13 -1.26 -5.16 115.26 110.85 2awt n ASN 15 Ca 0.25 -2.84 -0.30 0.00 1.68 0.00 0.00 54.58 53.38 2awt n ASN 15 Cb 0.38 1.03 0.09 0.00 -1.54 0.00 0.00 39.78 39.74 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 -3.07 4.42 -0.29 6.41 1.11 -1.26 -5.05 116.67 118.94 2awt s ASP 16 Ca 0.22 1.19 -0.12 0.00 0.18 0.00 0.00 52.55 54.02 2awt s ASP 16 Cb 0.01 -1.89 0.12 0.00 1.07 0.00 0.00 42.92 42.23 2awt s ASP 16 CO 0.16 -2.00 0.69 -2.28 1.18 0.00 0.00 175.17 172.92 2awt s HIS 17 N -3.23 -1.20 0.07 4.23 5.65 -1.26 -3.72 115.29 115.83 2awt s HIS 17 Ca 0.61 2.17 0.01 0.00 0.25 0.00 0.00 55.06 58.10 2awt s HIS 17 Cb -0.14 0.72 -0.00 0.00 -1.18 0.00 0.00 32.58 31.98 2awt s HIS 17 CO 0.53 -0.59 0.02 0.44 -0.65 0.00 0.00 174.74 174.49 2awt n ILE 18 N 4.99 0.00 -4.29 0.89 -5.35 0.85 -4.91 119.36 111.55 2awt n ILE 18 Ca -0.15 -0.38 -0.19 0.00 -0.27 0.00 0.00 62.75 61.76 2awt n ILE 18 Cb 0.53 0.14 -0.13 0.00 -1.74 0.00 0.00 39.64 38.44 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 -1.40 1.65 -0.08 7.28 2.47 -1.26 -3.19 114.94 120.41 2awt s ASN 19 Ca 0.03 -0.51 -0.07 0.00 0.42 0.00 0.00 52.86 52.74 2awt s ASN 19 Cb 0.00 -0.08 0.02 0.00 -1.45 0.00 0.00 41.25 39.74 2awt s ASN 19 CO 0.02 -0.01 0.21 -0.22 -3.72 0.00 0.00 177.10 173.38 2awt s LEU 20 N -1.34 1.13 -0.30 3.21 1.98 -0.89 -3.84 118.68 118.63 2awt s LEU 20 Ca 0.00 0.42 0.02 0.00 -2.89 0.00 0.00 54.13 51.68 2awt s LEU 20 Cb -0.09 0.69 0.09 0.00 0.66 0.00 0.00 46.19 47.54 2awt s LEU 20 CO 0.02 -0.08 0.02 -0.54 -1.89 0.00 0.00 176.35 173.88 2awt s LYS 21 N 0.25 1.38 -0.49 1.98 1.02 -0.70 -1.40 119.74 121.78 2awt s LYS 21 Ca -0.01 -1.40 -0.21 0.00 0.02 0.00 0.00 55.97 54.37 2awt s LYS 21 Cb -0.03 -2.72 0.04 0.00 -0.52 0.00 0.00 37.83 34.61 2awt s LYS 21 CO -0.01 -0.84 0.70 0.14 -0.92 0.00 0.00 175.35 174.42 2awt s VAL 22 N 1.23 4.76 -0.06 3.17 -7.23 0.89 -0.48 120.40 122.68 2awt s VAL 22 Ca 0.05 -0.14 0.01 0.00 -1.81 0.00 0.00 61.98 60.09 2awt s VAL 22 Cb -0.19 -4.32 0.02 0.00 0.56 0.00 0.00 36.38 32.45 2awt s VAL 22 CO -0.12 -0.81 -0.07 0.00 -0.31 0.00 0.00 175.10 173.79 2awt s ALA 23 N 2.97 0.92 0.20 1.32 0.00 -0.91 -0.03 121.76 126.22 2awt s ALA 23 Ca 0.21 -0.21 -0.22 0.00 0.00 0.00 0.00 51.96 51.74 2awt s ALA 23 Cb -0.16 -0.51 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 2awt s ALA 23 CO 0.16 0.00 0.74 0.20 0.00 0.00 0.00 175.76 176.86 2awt s GLY 24 N 0.89 2.72 0.58 0.00 0.00 0.13 -3.07 107.32 108.57 2awt s GLY 24 Ca -0.11 0.24 0.38 0.00 0.00 0.00 0.00 44.72 45.23 2awt s GLY 24 CO 0.01 0.65 2.17 -1.61 0.00 0.00 0.00 173.10 174.31 2awt h GLN 25 N 3.72 0.00 0.00 2.90 -0.00 -1.86 -3.10 115.11 116.77 2awt h GLN 25 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 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 0.65 0.00 0.00 -0.25 0.00 0.00 0.00 178.83 179.23 2awt n ASP 26 N -2.86 0.00 -2.69 -0.69 9.92 -1.26 -4.93 116.55 114.04 2awt n ASP 26 Ca -0.03 0.35 -0.06 0.00 -0.53 0.00 0.00 54.79 54.52 2awt n ASP 26 Cb 0.08 -0.33 0.08 0.00 -0.64 0.00 0.00 41.12 40.32 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 2.02 0.23 3.09 0.44 0.00 -1.20 -5.01 105.19 104.76 2awt n GLY 27 Ca 0.00 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 1.02 -0.30 1.61 0.15 -1.18 -4.62 113.70 109.54 2awt s SER 28 Ca 0.18 -0.60 -0.15 0.00 0.70 0.00 0.00 55.95 56.08 2awt s SER 28 Cb 0.28 0.03 0.18 0.00 -1.71 0.00 0.00 66.02 64.79 2awt s SER 28 CO -0.08 -0.21 1.07 0.54 1.20 0.00 0.00 173.24 175.76 2awt s VAL 29 N -1.57 -0.35 -0.02 4.45 0.11 -1.24 -0.69 120.40 121.09 2awt s VAL 29 Ca -0.07 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.90 2awt s VAL 29 Cb -0.09 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.77 2awt s VAL 29 CO 0.00 0.00 0.18 -0.69 -3.33 0.00 0.00 175.10 171.26 2awt s VAL 30 N 2.56 0.06 0.10 2.04 1.01 0.95 -4.94 120.40 122.18 2awt s VAL 30 Ca -0.01 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2awt s VAL 30 Cb -0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 2awt s VAL 30 CO -0.15 -0.26 -0.09 -1.10 0.00 0.00 0.00 175.10 173.51 2awt s GLN 31 N -0.95 2.18 0.04 2.72 -0.21 -1.26 -0.07 119.66 122.10 2awt s GLN 31 Ca -0.10 -1.00 -0.15 0.00 0.02 0.00 0.00 55.36 54.13 2awt s GLN 31 Cb -0.06 -2.33 0.02 0.00 1.00 0.00 0.00 33.01 31.64 2awt s GLN 31 CO 0.02 0.51 0.32 -0.06 -2.12 0.00 0.00 175.29 173.96 2awt s PHE 32 N -1.22 -0.14 -0.08 0.91 0.40 -0.49 -5.00 117.98 112.36 2awt s PHE 32 Ca 0.22 0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.61 2awt s PHE 32 Cb -0.11 0.12 0.01 0.00 0.51 0.00 0.00 43.02 43.55 2awt s PHE 32 CO 0.14 -0.51 -0.15 -1.59 0.70 0.00 0.00 175.22 173.81 2awt s LYS 33 N -2.43 2.05 0.22 0.44 -2.85 -1.26 -2.08 119.74 113.82 2awt s LYS 33 Ca -0.06 -0.53 -0.22 0.00 -1.00 0.00 0.00 55.97 54.16 2awt s LYS 33 Cb -0.01 -1.67 0.05 0.00 -2.06 0.00 0.00 37.83 34.14 2awt s LYS 33 CO -0.02 0.04 0.66 -1.50 0.10 0.00 0.00 175.35 174.62 2awt s ILE 34 N 0.67 0.00 0.78 3.79 2.07 -1.19 -4.99 121.20 122.32 2awt s ILE 34 Ca -0.14 -0.47 -0.13 0.00 -1.41 0.00 0.00 60.65 58.50 2awt s ILE 34 Cb -0.16 -1.47 0.20 0.00 0.13 0.00 0.00 42.46 41.16 2awt s ILE 34 CO 0.04 0.00 0.47 2.29 -1.91 0.00 0.00 174.94 175.83 2awt n LYS 35 N -0.42 -3.42 0.00 3.50 2.85 -1.24 -0.10 118.16 119.32 2awt n LYS 35 Ca -0.11 -0.79 0.11 0.00 -1.05 0.00 0.00 58.31 56.47 2awt n LYS 35 Cb 0.62 -1.00 0.12 0.00 -0.65 0.00 0.00 35.03 34.12 2awt n LYS 35 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2awt n ARG 36 N -3.97 0.44 -2.77 -1.58 0.63 -1.26 -4.34 116.66 103.80 2awt n ARG 36 Ca 0.07 -0.32 -0.26 0.00 -0.92 0.00 0.00 57.85 56.43 2awt n ARG 36 Cb 0.32 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 31.72 2awt n ARG 36 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2awt n HIS 37 N -1.00 3.47 -4.58 -0.14 1.44 -1.26 -3.97 115.22 109.17 2awt n HIS 37 Ca 0.07 -3.61 -0.31 0.00 -2.01 0.00 0.00 57.72 51.86 2awt n HIS 37 Cb 0.36 -0.33 -0.12 0.00 0.12 0.00 0.00 29.99 30.03 2awt n HIS 37 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 2awt s THR 38 N -4.69 3.10 0.08 0.61 -1.32 -1.26 -5.10 115.64 107.05 2awt s THR 38 Ca 0.47 -1.05 -0.31 0.00 -1.21 0.00 0.00 61.69 59.60 2awt s THR 38 Cb 0.34 -2.32 -0.07 0.00 -1.51 0.00 0.00 72.50 68.93 2awt s THR 38 CO -0.15 0.35 1.39 -2.16 -2.21 0.00 0.00 174.62 171.84 2awt s PRO 39 N -1.45 4.32 0.56 7.08 0.04 -1.26 -4.87 135.00 139.42 2awt s PRO 39 Ca 0.16 2.03 0.30 0.00 0.04 0.00 0.00 61.00 63.53 2awt s PRO 39 Cb -0.11 -3.35 1.46 0.00 0.04 0.00 0.00 34.50 32.54 2awt s PRO 39 CO 0.06 -0.47 1.86 -0.07 0.04 0.00 0.00 177.00 178.43 2awt h LEU 40 N 7.25 0.00 -1.37 -3.56 3.38 -1.79 0.47 115.31 119.70 2awt h LEU 40 Ca -0.41 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.79 2awt h LEU 40 Cb 1.20 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 2awt h LEU 40 CO 0.87 0.00 0.64 0.77 0.09 0.00 0.00 178.44 180.81 2awt h SER 41 N 0.00 0.48 -0.98 -0.43 4.64 -1.90 0.18 113.55 115.54 2awt h SER 41 Ca 0.34 0.07 0.23 0.00 -0.47 0.00 0.00 61.79 61.96 2awt h SER 41 Cb 1.56 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 63.55 2awt h SER 41 CO -0.00 0.14 0.64 0.07 -0.87 0.00 0.00 176.83 176.80 2awt h LYS 42 N 0.45 0.43 0.01 4.77 5.09 -1.28 0.21 116.57 126.25 2awt h LYS 42 Ca 0.55 -0.03 -0.03 0.00 0.09 0.00 0.00 60.65 61.23 2awt h LYS 42 Cb 1.31 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.54 2awt h LYS 42 CO -0.27 0.28 -0.12 1.25 -2.09 0.00 0.00 179.45 178.50 2awt h LEU 43 N 0.44 0.09 0.69 7.07 7.12 -0.83 -2.84 115.31 127.05 2awt h LEU 43 Ca 0.54 -0.85 -0.03 0.00 0.13 0.00 0.00 57.88 57.67 2awt h LEU 43 Cb 1.30 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.39 2awt h LEU 43 CO -0.25 0.93 -0.48 -0.03 -0.13 0.00 0.00 178.44 178.48 2awt h MET 44 N -0.73 -1.08 -0.54 1.25 4.05 -1.10 0.24 114.93 117.02 2awt h MET 44 Ca -0.02 0.07 0.11 0.00 -0.28 0.00 0.00 59.70 59.58 2awt h MET 44 Cb 0.96 0.25 -0.09 0.00 -0.80 0.00 0.00 31.60 31.91 2awt h MET 44 CO 0.02 -0.72 -0.01 -0.22 0.23 0.00 0.00 176.91 176.22 2awt h LYS 45 N -1.12 0.11 -0.01 0.39 3.64 -0.79 -1.34 116.57 117.45 2awt h LYS 45 Ca -0.09 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2awt h LYS 45 Cb 0.92 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2awt h LYS 45 CO 0.05 0.07 0.00 0.00 -2.27 0.00 0.00 179.45 177.30 2awt h ALA 46 N 1.49 0.01 0.05 5.00 0.00 -1.29 -2.04 119.26 122.48 2awt h ALA 46 Ca 0.28 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2awt h ALA 46 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2awt h ALA 46 CO -0.46 -0.49 -0.54 -0.92 0.00 0.00 0.00 179.25 176.84 2awt h TYR 47 N 0.01 -1.57 -0.78 0.00 5.03 0.36 -1.61 116.97 118.42 2awt h TYR 47 Ca 0.00 0.05 0.16 0.00 2.58 0.00 0.00 58.73 61.52 2awt h TYR 47 Cb 0.00 0.68 -0.10 0.00 1.55 0.00 0.00 36.73 38.86 2awt h TYR 47 CO -0.08 -0.59 0.29 0.00 -1.32 0.00 0.00 178.16 176.46 2awt h GLU 49 N 0.41 0.56 0.00 0.00 4.57 -0.55 0.25 114.58 119.83 2awt h GLU 49 Ca 0.44 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 2awt h GLU 49 Cb 0.71 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2awt h GLU 49 CO -0.44 0.37 -0.25 -0.09 -1.18 0.00 0.00 179.01 177.42 2awt h ARG 50 N 0.58 0.00 -2.24 1.92 1.12 -0.37 -3.43 114.38 111.95 2awt h ARG 50 Ca 0.57 0.00 -0.60 0.00 -1.11 0.00 0.00 59.98 58.85 2awt h ARG 50 Cb 1.16 0.00 -0.41 0.00 -0.01 0.00 0.00 29.97 30.70 2awt h ARG 50 CO -0.34 0.00 -0.67 1.04 -3.11 0.00 0.00 179.97 176.89 2awt n GLN 51 N -3.72 2.16 -2.14 0.20 3.00 0.75 -4.99 117.38 112.64 2awt n GLN 51 Ca -0.03 -4.42 -0.42 0.00 -0.01 0.00 0.00 57.00 52.12 2awt n GLN 51 Cb 0.13 -2.09 0.00 0.00 0.00 0.00 0.00 30.24 28.28 2awt n GLN 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2awt n GLY 52 N 1.06 4.73 0.14 1.08 0.00 0.88 -4.48 105.19 108.60 2awt n GLY 52 Ca 0.28 -1.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 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 8.00 0.40 -5.72 0.99 4.07 -1.94 -3.44 115.31 117.67 2awt h LEU 53 Ca 0.48 -0.92 -0.37 0.00 0.08 0.00 0.00 57.88 57.15 2awt h LEU 53 Cb 0.58 -0.13 -0.27 0.00 1.08 0.00 0.00 40.66 41.92 2awt h LEU 53 CO 1.67 1.83 -0.73 -0.94 -1.08 0.00 0.00 178.44 179.19 2awt s SER 54 N -7.05 0.03 0.60 -0.43 1.04 -1.26 -4.98 113.70 101.65 2awt s SER 54 Ca -0.22 -2.35 0.31 0.00 0.48 0.00 0.00 55.95 54.17 2awt s SER 54 Cb 0.06 0.73 1.83 0.00 0.10 0.00 0.00 66.02 68.74 2awt s SER 54 CO 0.76 -0.12 2.20 0.00 0.98 0.00 0.00 173.24 177.06 2awt h MET 55 N 5.42 0.00 -0.56 4.02 -0.00 -1.91 0.24 114.93 122.13 2awt h MET 55 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.86 2awt h MET 55 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 2awt h MET 55 CO 0.19 0.00 0.00 0.54 -0.00 0.00 0.00 176.91 177.64 2awt n ARG 56 N -3.70 2.53 -0.80 -0.10 5.12 -1.26 -3.82 116.66 114.63 2awt n ARG 56 Ca -0.01 -1.71 0.05 0.00 -1.93 0.00 0.00 57.85 54.25 2awt n ARG 56 Cb 0.18 -1.58 0.11 0.00 -1.16 0.00 0.00 32.46 30.01 2awt n ARG 56 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2awt n GLN 57 N 0.64 0.81 -4.04 5.56 7.27 0.83 -5.00 117.38 123.45 2awt n GLN 57 Ca 0.16 -2.45 -0.32 0.00 0.07 0.00 0.00 57.00 54.45 2awt n GLN 57 Cb 0.54 -0.92 -0.15 0.00 2.41 0.00 0.00 30.24 32.12 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 -1.69 2.08 -0.17 1.69 -1.09 -1.24 -4.04 121.20 116.74 2awt s ILE 58 Ca 0.31 -1.68 0.01 0.00 -2.23 0.00 0.00 60.65 57.06 2awt s ILE 58 Cb 0.31 -2.26 0.02 0.00 -1.58 0.00 0.00 42.46 38.95 2awt s ILE 58 CO -0.08 -0.13 -0.19 -0.13 -1.23 0.00 0.00 174.94 173.18 2awt s ARG 59 N 1.12 2.83 -0.16 2.79 3.00 -0.90 -4.95 118.95 122.69 2awt s ARG 59 Ca -0.05 -0.77 -0.26 0.00 0.00 0.00 0.00 55.73 54.65 2awt s ARG 59 Cb -0.20 -2.46 -0.01 0.00 0.00 0.00 0.00 34.95 32.28 2awt s ARG 59 CO -0.06 -0.22 0.85 -0.06 0.00 0.00 0.00 175.30 175.82 2awt s PHE 60 N 1.33 3.43 0.00 -0.53 0.08 -1.26 -0.08 117.98 120.96 2awt s PHE 60 Ca 0.05 1.30 0.01 0.00 0.12 0.00 0.00 56.93 58.40 2awt s PHE 60 Cb -0.13 -3.03 -0.01 0.00 -0.57 0.00 0.00 43.02 39.28 2awt s PHE 60 CO -0.12 -0.23 -0.03 1.03 -0.10 0.00 0.00 175.22 175.76 2awt s ARG 61 N 2.11 0.23 0.29 0.44 1.81 -0.19 -3.61 118.95 120.02 2awt s ARG 61 Ca 0.39 -0.20 0.12 0.00 -1.72 0.00 0.00 55.73 54.33 2awt s ARG 61 Cb -0.17 -0.16 -0.05 0.00 -0.45 0.00 0.00 34.95 34.12 2awt s ARG 61 CO 0.13 0.04 -0.19 0.12 -0.68 0.00 0.00 175.30 174.72 2awt s PHE 62 N -0.32 2.30 -1.21 -0.53 5.36 -1.19 -1.87 117.98 120.52 2awt s PHE 62 Ca -0.02 -0.35 -0.08 0.00 -0.96 0.00 0.00 56.93 55.52 2awt s PHE 62 Cb -0.03 -1.03 -0.09 0.00 -0.34 0.00 0.00 43.02 41.54 2awt s PHE 62 CO -0.00 0.70 2.63 -3.47 -1.46 0.00 0.00 175.22 173.63 2awt n ASP 63 N -0.64 6.88 0.00 6.13 2.03 -1.26 -3.03 116.55 126.66 2awt n ASP 63 Ca -0.05 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.81 2awt n ASP 63 Cb 0.60 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 2awt n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2awt n GLY 64 N 3.57 0.04 3.61 0.27 0.00 -1.26 -5.16 105.19 106.25 2awt n GLY 64 Ca 0.62 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.56 0.25 1.20 1.61 -2.07 -1.17 -5.18 119.66 113.75 2awt s GLN 65 Ca 0.00 -0.07 -0.19 0.00 -1.82 0.00 0.00 55.36 53.28 2awt s GLN 65 Cb 0.00 0.12 0.29 0.00 -1.09 0.00 0.00 33.01 32.32 2awt s GLN 65 CO 0.00 -0.10 1.11 -1.25 -1.32 0.00 0.00 175.29 173.73 2awt s PRO 66 N -2.11 -1.25 -0.03 9.60 0.04 -1.26 -3.20 135.00 136.79 2awt s PRO 66 Ca 0.09 -0.08 0.01 0.00 0.04 0.00 0.00 61.00 61.06 2awt s PRO 66 Cb -0.01 -1.59 0.02 0.00 0.04 0.00 0.00 34.50 32.96 2awt s PRO 66 CO -0.04 -3.72 -0.02 0.42 0.04 0.00 0.00 177.00 173.67 2awt s ILE 67 N -3.01 0.34 0.15 0.56 1.01 -1.24 -4.87 121.20 114.14 2awt s ILE 67 Ca 0.71 -0.02 -0.00 0.00 0.00 0.00 0.00 60.65 61.34 2awt s ILE 67 Cb -0.10 -0.39 0.03 0.00 0.01 0.00 0.00 42.46 42.01 2awt s ILE 67 CO 0.56 0.17 0.21 0.59 0.00 0.00 0.00 174.94 176.47 2awt n ASN 68 N 4.02 0.26 0.04 3.58 3.02 -1.26 -4.82 115.26 120.10 2awt n ASN 68 Ca -0.26 -1.23 -0.21 0.00 -0.03 0.00 0.00 54.58 52.86 2awt n ASN 68 Cb 0.51 -0.13 -0.14 0.00 -0.61 0.00 0.00 39.78 39.40 2awt n ASN 68 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2awt h GLU 69 N 0.00 0.31 -0.94 3.52 4.11 -2.01 -3.35 114.58 116.22 2awt h GLU 69 Ca -0.07 -0.53 -0.51 0.00 0.07 0.00 0.00 59.36 58.33 2awt h GLU 69 Cb 0.25 0.20 -0.29 0.00 0.50 0.00 0.00 28.75 29.40 2awt h GLU 69 CO 0.07 1.21 0.60 -2.37 0.07 0.00 0.00 179.01 178.60 2awt n THR 70 N -3.50 3.20 -3.97 -1.06 5.66 -1.26 -4.50 114.28 108.85 2awt n THR 70 Ca -0.26 -2.15 -0.23 0.00 -3.05 0.00 0.00 64.05 58.36 2awt n THR 70 Cb 1.06 -0.55 -0.02 0.00 -1.55 0.00 0.00 70.33 69.27 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 -1.51 6.29 0.12 1.09 1.11 -1.26 -5.07 116.67 117.45 2awt s ASP 71 Ca 0.57 0.09 0.06 0.00 0.18 0.00 0.00 52.55 53.45 2awt s ASP 71 Cb 0.48 -1.86 -0.04 0.00 1.07 0.00 0.00 42.92 42.57 2awt s ASP 71 CO 0.08 -0.03 -0.15 0.42 1.18 0.00 0.00 175.17 176.67 2awt s THR 72 N -1.91 1.43 0.19 -1.27 -4.23 -1.26 -4.45 115.64 104.13 2awt s THR 72 Ca 0.34 -1.71 0.27 0.00 -1.18 0.00 0.00 61.69 59.40 2awt s THR 72 Cb -0.10 -1.56 0.28 0.00 1.34 0.00 0.00 72.50 72.46 2awt s THR 72 CO 0.29 -0.36 1.91 1.55 -0.54 0.00 0.00 174.62 177.47 2awt h PRO 73 N 3.56 0.00 -0.80 3.99 0.13 -1.89 -3.11 132.00 133.88 2awt h PRO 73 Ca -0.41 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.83 2awt h PRO 73 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2awt h PRO 73 CO 0.49 0.16 0.44 0.00 -0.23 0.00 0.00 178.00 178.86 2awt h ALA 74 N 1.84 1.15 -0.50 -0.56 0.00 -1.97 0.57 119.26 119.79 2awt h ALA 74 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2awt h ALA 74 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2awt h ALA 74 CO 0.02 0.03 0.00 0.94 0.00 0.00 0.00 179.25 180.24 2awt n GLN 75 N -4.80 3.94 -0.00 0.00 -0.06 -1.18 -4.22 117.38 111.06 2awt n GLN 75 Ca 0.14 -2.94 0.02 0.00 -2.00 0.00 0.00 57.00 52.21 2awt n GLN 75 Cb 0.31 -1.99 -0.02 0.00 -4.06 0.00 0.00 30.24 24.47 2awt n GLN 75 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2awt n LEU 76 N 0.47 0.01 -2.88 1.69 -0.00 -0.29 -5.02 117.00 110.99 2awt n LEU 76 Ca 0.25 -0.05 -0.05 0.00 -0.00 0.00 0.00 56.01 56.15 2awt n LEU 76 Cb 0.99 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.43 2awt n LEU 76 CO 0.24 0.00 0.19 -0.62 -0.00 0.00 0.00 177.39 177.20 2awt n GLU 77 N -1.55 -1.43 -3.15 1.96 1.02 0.04 -5.00 120.64 112.53 2awt n GLU 77 Ca -0.00 1.10 -0.20 0.00 -0.02 0.00 0.00 57.16 58.04 2awt n GLU 77 Cb 0.08 -5.14 -0.03 0.00 -0.02 0.00 0.00 31.44 26.33 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 -2.17 1.36 -1.43 3.49 2.81 -1.24 -5.09 117.12 114.84 2awt n MET 78 Ca -0.02 -3.63 0.00 0.00 -1.81 0.00 0.00 57.70 52.23 2awt n MET 78 Cb 0.54 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 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 0.22 1.39 -3.21 0.03 1.02 -1.26 -4.63 120.64 114.20 2awt n GLU 79 Ca 0.26 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.25 2awt n GLU 79 Cb 0.61 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 32.10 2awt n GLU 79 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2awt n ASP 80 N -1.37 -2.64 -2.33 1.62 8.00 -1.26 -2.69 116.55 115.87 2awt n ASP 80 Ca 0.00 -0.49 -0.17 0.00 0.71 0.00 0.00 54.79 54.84 2awt n ASP 80 Cb 0.00 -4.27 0.03 0.00 -0.02 0.00 0.00 41.12 36.86 2awt n ASP 80 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2awt n GLU 81 N -3.66 -3.75 -0.45 -1.24 2.13 -1.25 -4.99 120.64 107.43 2awt n GLU 81 Ca -0.19 0.69 -0.29 0.00 0.66 0.00 0.00 57.16 58.02 2awt n GLU 81 Cb 0.62 -5.09 0.27 0.00 0.27 0.00 0.00 31.44 27.52 2awt n GLU 81 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2awt s ASP 82 N -2.79 0.05 -0.29 4.31 1.01 -1.09 -4.79 116.67 113.08 2awt s ASP 82 Ca 0.23 1.26 -0.03 0.00 0.71 0.00 0.00 52.55 54.72 2awt s ASP 82 Cb -0.10 -1.92 0.10 0.00 1.01 0.00 0.00 42.92 42.01 2awt s ASP 82 CO 0.29 -4.74 0.12 -0.89 0.21 0.00 0.00 175.17 170.16 2awt s THR 83 N -2.36 0.16 -0.16 -1.27 2.01 -1.26 -1.71 115.64 111.05 2awt s THR 83 Ca 0.69 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 61.59 2awt s THR 83 Cb -0.21 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 2awt s THR 83 CO 0.63 -0.69 0.61 -0.63 -0.69 0.00 0.00 174.62 173.84 2awt s ILE 84 N 1.98 5.06 0.22 1.82 1.01 0.37 -4.87 121.20 126.79 2awt s ILE 84 Ca 0.09 1.18 -0.25 0.00 0.00 0.00 0.00 60.65 61.67 2awt s ILE 84 Cb -0.16 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 2awt s ILE 84 CO -0.33 0.18 0.83 -1.81 0.00 0.00 0.00 174.94 173.82 2awt s ASP 85 N 1.01 7.37 0.20 3.58 1.11 -0.78 -2.15 116.67 127.01 2awt s ASP 85 Ca 0.30 1.70 0.05 0.00 0.18 0.00 0.00 52.55 54.78 2awt s ASP 85 Cb -0.16 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.27 2awt s ASP 85 CO 0.12 0.11 0.21 0.54 1.18 0.00 0.00 175.17 177.33 2awt s VAL 86 N -1.32 4.71 -0.30 -1.27 0.11 -1.18 -1.02 120.40 120.14 2awt s VAL 86 Ca 0.41 -1.11 0.03 0.00 -2.93 0.00 0.00 61.98 58.38 2awt s VAL 86 Cb -0.22 -3.47 0.08 0.00 -1.53 0.00 0.00 36.38 31.24 2awt s VAL 86 CO 0.26 -0.21 -0.03 -0.36 -3.33 0.00 0.00 175.10 171.43 2awt s PHE 87 N -1.91 3.38 0.16 1.54 0.40 0.88 -4.24 117.98 118.20 2awt s PHE 87 Ca 0.33 -2.58 -0.10 0.00 -0.60 0.00 0.00 56.93 53.98 2awt s PHE 87 Cb -0.09 -2.36 -0.00 0.00 0.51 0.00 0.00 43.02 41.08 2awt s PHE 87 CO 0.25 -0.90 0.30 1.14 0.70 0.00 0.00 175.22 176.71 2awt s GLN 88 N 1.05 1.15 -0.30 0.44 -2.07 -1.26 -2.11 119.66 116.57 2awt s GLN 88 Ca 0.01 -1.12 -0.17 0.00 -1.82 0.00 0.00 55.36 52.27 2awt s GLN 88 Cb -0.19 0.39 0.18 0.00 -1.09 0.00 0.00 33.01 32.30 2awt s GLN 88 CO -0.07 -0.42 1.15 1.14 -1.32 0.00 0.00 175.29 175.76 2awt s GLN 89 N -3.95 0.17 -0.05 9.60 1.03 -1.26 -4.97 119.66 120.23 2awt s GLN 89 Ca 0.15 0.35 -0.26 0.00 0.04 0.00 0.00 55.36 55.64 2awt s GLN 89 Cb 0.03 0.12 0.06 0.00 0.03 0.00 0.00 33.01 33.24 2awt s GLN 89 CO -0.01 -0.04 0.57 -1.14 -2.54 0.00 0.00 175.29 172.12 2awt s GLN 90 N 1.61 0.93 0.22 9.60 2.00 -1.26 -5.04 119.66 127.72 2awt s GLN 90 Ca -0.05 0.16 0.17 0.00 -2.00 0.00 0.00 55.36 53.64 2awt s GLN 90 Cb -0.03 0.44 0.02 0.00 0.80 0.00 0.00 33.01 34.23 2awt s GLN 90 CO -0.14 -0.28 1.22 1.79 -0.50 0.00 0.00 175.29 177.38 2awt h THR 91 N 3.30 0.59 -1.15 -0.34 1.35 -2.05 -3.34 112.91 111.28 2awt h THR 91 Ca -0.28 -1.93 -0.64 0.00 -0.55 0.00 0.00 66.41 63.01 2awt h THR 91 Cb 1.15 2.17 -0.35 0.00 -1.73 0.00 0.00 68.15 69.40 2awt h THR 91 CO 0.38 0.34 0.19 0.61 -0.25 0.00 0.00 175.52 176.79 2awt n GLY 92 N 1.26 6.00 0.00 5.82 0.00 -1.26 -4.98 105.19 112.03 2awt n GLY 92 Ca -0.02 -2.50 0.00 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.74 5.96 2.69 -0.02 0.00 -1.25 -5.09 105.19 106.74 2awt n GLY 93 Ca 0.53 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 2awt n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2awt s VAL 94 N 0.76 -0.23 0.00 1.61 1.01 -1.26 -5.08 120.40 117.20 2awt s VAL 94 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2awt s VAL 94 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.72 2awt s VAL 94 CO 0.00 -0.26 0.15 -1.22 0.00 0.00 0.00 175.10 173.77