#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2awt n ALA 2 N 0.00 -1.57 -1.39 3.17 0.00 -1.26 -4.89 120.51 114.58 2awt n ALA 2 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.54 2awt n ALA 2 Cb 0.00 -3.68 0.20 0.00 0.00 0.00 0.00 19.45 15.98 2awt n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2awt n ASP 3 N -2.95 2.49 -4.55 0.00 -0.08 -1.26 -5.01 116.55 105.20 2awt n ASP 3 Ca -0.09 -3.64 -0.31 0.00 -1.51 0.00 0.00 54.79 49.24 2awt n ASP 3 Cb 0.59 -0.58 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 2awt n ASP 3 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2awt s GLU 4 N -3.16 2.29 -0.67 -0.67 0.41 -1.26 -5.07 118.70 110.58 2awt s GLU 4 Ca 0.42 -0.88 0.06 0.00 -0.41 0.00 0.00 54.97 54.15 2awt s GLU 4 Cb 0.38 -2.36 0.24 0.00 -1.78 0.00 0.00 34.13 30.61 2awt s GLU 4 CO -0.00 0.56 0.72 1.63 -0.49 0.00 0.00 175.26 177.68 2awt n LYS 5 N 1.29 2.46 -2.04 1.61 4.01 -1.26 -5.05 118.16 119.18 2awt n LYS 5 Ca -0.15 -4.64 -0.39 0.00 -0.51 0.00 0.00 58.31 52.62 2awt n LYS 5 Cb 0.52 -2.27 -0.03 0.00 -0.51 0.00 0.00 35.03 32.74 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2awt s PRO 6 N -2.30 2.69 -0.51 1.97 0.04 -1.26 -4.86 135.00 130.77 2awt s PRO 6 Ca 0.37 0.67 0.05 0.00 0.04 0.00 0.00 61.00 62.13 2awt s PRO 6 Cb 0.11 -4.37 0.38 0.00 0.04 0.00 0.00 34.50 30.67 2awt s PRO 6 CO -0.04 -2.66 1.06 0.36 0.04 0.00 0.00 177.00 175.76 2awt n LYS 7 N 9.12 3.36 0.04 4.56 2.85 -1.26 -4.73 118.16 132.10 2awt n LYS 7 Ca 0.20 -4.66 0.00 0.00 -1.05 0.00 0.00 58.31 52.81 2awt n LYS 7 Cb 0.52 -2.25 0.00 0.00 -0.65 0.00 0.00 35.03 32.65 2awt n LYS 7 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2awt n GLU 8 N -0.38 0.00 0.00 -1.58 4.07 -1.26 -5.17 120.64 116.32 2awt n GLU 8 Ca 0.36 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.46 2awt n GLU 8 Cb 0.54 -0.16 0.00 0.00 -0.06 0.00 0.00 31.44 31.76 2awt n GLU 8 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2awt n GLY 9 N 2.03 1.03 3.19 8.31 0.00 -1.26 -5.04 105.19 113.45 2awt n GLY 9 Ca 0.00 -1.94 -0.25 0.00 0.00 0.00 0.00 46.02 43.82 2awt n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2awt s VAL 10 N -2.06 1.46 -0.08 1.61 0.11 -1.26 -5.14 120.40 115.05 2awt s VAL 10 Ca 0.00 -0.84 0.03 0.00 -2.93 0.00 0.00 61.98 58.24 2awt s VAL 10 Cb 0.00 -1.22 0.01 0.00 -1.53 0.00 0.00 36.38 33.64 2awt s VAL 10 CO 0.00 0.37 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.46 2awt s LYS 11 N -0.54 2.03 -0.43 1.54 3.01 -1.26 -5.10 119.74 118.99 2awt s LYS 11 Ca 0.07 -0.52 0.03 0.00 -1.01 0.00 0.00 55.97 54.54 2awt s LYS 11 Cb -0.07 -1.64 0.12 0.00 -1.01 0.00 0.00 37.83 35.22 2awt s LYS 11 CO -0.00 0.05 0.16 0.95 0.51 0.00 0.00 175.35 177.02 2awt s THR 12 N 0.64 2.53 0.00 2.17 -4.23 -1.26 -5.08 115.64 110.42 2awt s THR 12 Ca -0.14 -2.76 -0.01 0.00 -1.18 0.00 0.00 61.69 57.59 2awt s THR 12 Cb -0.16 -2.80 -0.00 0.00 1.34 0.00 0.00 72.50 70.87 2awt s THR 12 CO 0.04 -0.70 0.01 -1.83 -0.54 0.00 0.00 174.62 171.60 2awt s GLU 13 N 0.38 0.13 -0.28 3.99 -1.05 -1.26 -5.03 118.70 115.57 2awt s GLU 13 Ca 0.14 -0.18 0.09 0.00 -0.15 0.00 0.00 54.97 54.87 2awt s GLU 13 Cb -0.22 0.05 0.69 0.00 -0.44 0.00 0.00 34.13 34.21 2awt s GLU 13 CO -0.04 -0.02 1.70 -1.71 0.95 0.00 0.00 175.26 176.13 2awt n ASN 14 N 2.57 4.69 -3.95 0.83 2.85 -1.26 -4.93 115.26 116.05 2awt n ASN 14 Ca -0.16 -3.06 -0.26 0.00 -0.11 0.00 0.00 54.58 50.99 2awt n ASN 14 Cb 0.58 -0.72 -0.08 0.00 1.24 0.00 0.00 39.78 40.81 2awt n ASN 14 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2awt s ASN 15 N -0.83 2.82 0.67 1.20 -0.87 -1.26 -5.16 114.94 111.51 2awt s ASN 15 Ca 0.50 -1.75 -0.09 0.00 -1.57 0.00 0.00 52.86 49.94 2awt s ASN 15 Cb 0.39 0.62 0.01 0.00 -0.02 0.00 0.00 41.25 42.26 2awt s ASN 15 CO 0.13 -1.01 1.03 -1.81 -2.57 0.00 0.00 177.10 172.86 2awt s ASP 16 N -3.61 5.47 -0.29 -1.22 1.11 -1.26 -5.04 116.67 111.83 2awt s ASP 16 Ca 0.23 0.96 0.04 0.00 0.18 0.00 0.00 52.55 53.96 2awt s ASP 16 Cb 0.01 -1.83 0.19 0.00 1.07 0.00 0.00 42.92 42.36 2awt s ASP 16 CO 0.16 -1.25 0.54 -2.28 1.18 0.00 0.00 175.17 173.53 2awt s HIS 17 N -3.23 -1.60 0.06 4.23 2.46 -1.26 -4.17 115.29 111.78 2awt s HIS 17 Ca 0.57 1.02 0.01 0.00 0.47 0.00 0.00 55.06 57.13 2awt s HIS 17 Cb -0.11 0.25 0.01 0.00 -0.13 0.00 0.00 32.58 32.60 2awt s HIS 17 CO 0.49 -1.02 0.07 0.44 -2.47 0.00 0.00 174.74 172.26 2awt n ILE 18 N 5.41 0.00 -4.34 0.89 -5.35 0.65 -4.98 119.36 111.63 2awt n ILE 18 Ca 0.03 -0.23 -0.19 0.00 -0.27 0.00 0.00 62.75 62.09 2awt n ILE 18 Cb 0.52 -0.72 -0.15 0.00 -1.74 0.00 0.00 39.64 37.56 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 -1.39 1.02 0.04 7.28 2.47 -1.26 -3.23 114.94 119.87 2awt s ASN 19 Ca 0.05 -0.16 -0.01 0.00 0.42 0.00 0.00 52.86 53.17 2awt s ASN 19 Cb -0.00 -0.15 -0.03 0.00 -1.45 0.00 0.00 41.25 39.62 2awt s ASN 19 CO 0.03 0.09 -0.02 -0.76 -3.72 0.00 0.00 177.10 172.73 2awt s LEU 20 N -0.11 2.30 -0.17 3.21 1.43 -0.48 -3.04 118.68 121.82 2awt s LEU 20 Ca 0.02 -0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 52.36 2awt s LEU 20 Cb -0.04 0.20 0.06 0.00 0.03 0.00 0.00 46.19 46.44 2awt s LEU 20 CO -0.00 -0.46 0.05 -0.54 0.23 0.00 0.00 176.35 175.63 2awt s LYS 21 N -2.68 0.47 -1.08 1.70 1.02 -0.36 -0.68 119.74 118.13 2awt s LYS 21 Ca -0.05 -0.25 -0.16 0.00 0.02 0.00 0.00 55.97 55.53 2awt s LYS 21 Cb -0.01 -1.88 0.15 0.00 -0.52 0.00 0.00 37.83 35.57 2awt s LYS 21 CO -0.05 -0.60 1.29 0.08 -0.92 0.00 0.00 175.35 175.15 2awt s VAL 22 N 1.95 4.87 -0.14 3.17 1.01 0.11 -1.08 120.40 130.29 2awt s VAL 22 Ca 0.01 -2.12 -0.04 0.00 0.00 0.00 0.00 61.98 59.83 2awt s VAL 22 Cb -0.16 -4.86 -0.03 0.00 0.00 0.00 0.00 36.38 31.33 2awt s VAL 22 CO -0.08 -1.58 -0.01 0.00 0.00 0.00 0.00 175.10 173.43 2awt s ALA 23 N 2.16 3.12 0.27 5.51 0.00 -1.19 -1.08 121.76 130.56 2awt s ALA 23 Ca 0.38 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 2awt s ALA 23 Cb -0.04 -1.60 -0.09 0.00 0.00 0.00 0.00 23.12 21.39 2awt s ALA 23 CO -0.04 0.29 1.06 0.20 0.00 0.00 0.00 175.76 177.26 2awt s GLY 24 N 0.10 3.08 0.64 0.00 0.00 0.11 -2.61 107.32 108.63 2awt s GLY 24 Ca 0.01 0.83 0.37 0.00 0.00 0.00 0.00 44.72 45.92 2awt s GLY 24 CO 0.02 1.42 2.22 -1.61 0.00 0.00 0.00 173.10 175.16 2awt h GLN 25 N 3.88 0.00 0.00 2.90 -0.00 -1.84 -3.12 115.11 116.93 2awt h GLN 25 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 2awt h GLN 25 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.69 2awt h GLN 25 CO 0.67 0.00 0.00 -3.47 0.00 0.00 0.00 178.83 176.03 2awt n ASP 26 N -3.33 0.00 -2.69 -0.69 2.03 -1.26 -4.71 116.55 105.90 2awt n ASP 26 Ca -0.02 0.33 -0.06 0.00 0.52 0.00 0.00 54.79 55.56 2awt n ASP 26 Cb 0.18 -0.33 0.08 0.00 -0.72 0.00 0.00 41.12 40.33 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 2.14 0.43 3.20 0.27 0.00 -1.20 -0.13 105.19 109.90 2awt n GLY 27 Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 2awt n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2awt s SER 28 N -0.85 1.93 -0.21 1.61 0.01 -1.18 -4.64 113.70 110.36 2awt s SER 28 Ca 0.17 -0.63 -0.05 0.00 1.31 0.00 0.00 55.95 56.75 2awt s SER 28 Cb 0.28 -0.08 0.11 0.00 0.21 0.00 0.00 66.02 66.54 2awt s SER 28 CO -0.07 -0.03 0.40 -0.69 0.41 0.00 0.00 173.24 173.26 2awt s VAL 29 N -1.22 -0.63 -0.33 3.43 1.01 -1.26 0.04 120.40 121.43 2awt s VAL 29 Ca 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2awt s VAL 29 Cb -0.10 -0.72 0.11 0.00 0.00 0.00 0.00 36.38 35.67 2awt s VAL 29 CO 0.03 0.00 0.14 -0.69 0.00 0.00 0.00 175.10 174.58 2awt s VAL 30 N 2.59 0.65 0.11 2.92 1.01 -0.24 -4.92 120.40 122.51 2awt s VAL 30 Ca 0.04 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.24 2awt s VAL 30 Cb -0.13 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 2awt s VAL 30 CO -0.14 -0.77 0.96 0.00 0.00 0.00 0.00 175.10 175.15 2awt s GLN 31 N 1.45 4.69 0.25 2.72 0.00 -1.26 0.09 119.66 127.60 2awt s GLN 31 Ca 0.12 1.45 -0.10 0.00 -0.00 0.00 0.00 55.36 56.83 2awt s GLN 31 Cb -0.19 -3.38 -0.01 0.00 0.00 0.00 0.00 33.01 29.43 2awt s GLN 31 CO -0.20 0.21 0.43 -0.06 0.00 0.00 0.00 175.29 175.67 2awt s PHE 32 N 0.01 0.57 0.06 9.60 0.08 0.15 -4.95 117.98 123.51 2awt s PHE 32 Ca 0.47 -0.90 0.04 0.00 0.12 0.00 0.00 56.93 56.66 2awt s PHE 32 Cb -0.23 0.05 -0.03 0.00 -0.57 0.00 0.00 43.02 42.24 2awt s PHE 32 CO 0.30 -0.97 -0.12 -1.59 -0.10 0.00 0.00 175.22 172.74 2awt s LYS 33 N -3.89 0.72 0.26 0.44 -2.85 -1.26 -1.39 119.74 111.77 2awt s LYS 33 Ca 0.26 -0.89 -0.19 0.00 -1.00 0.00 0.00 55.97 54.14 2awt s LYS 33 Cb 0.01 -0.63 0.02 0.00 -2.06 0.00 0.00 37.83 35.16 2awt s LYS 33 CO 0.11 0.13 0.65 -1.50 0.10 0.00 0.00 175.35 174.84 2awt s ILE 34 N -1.35 0.00 0.00 3.79 1.10 -1.20 -4.98 121.20 118.56 2awt s ILE 34 Ca -0.05 -1.01 0.00 0.00 -0.51 0.00 0.00 60.65 59.09 2awt s ILE 34 Cb -0.10 -1.95 0.00 0.00 0.15 0.00 0.00 42.46 40.56 2awt s ILE 34 CO 0.02 -0.01 0.00 0.29 -2.11 0.00 0.00 174.94 173.12 2awt n LYS 35 N -0.43 -0.29 -0.06 3.50 4.76 -1.26 -0.25 118.16 124.12 2awt n LYS 35 Ca -0.05 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.33 2awt n LYS 35 Cb 0.60 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.74 2awt n LYS 35 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2awt h ARG 36 N 0.00 0.00 -3.51 1.97 2.43 -1.95 -3.40 114.38 109.92 2awt h ARG 36 Ca 0.00 0.00 -0.75 0.00 -0.81 0.00 0.00 59.98 58.42 2awt h ARG 36 Cb 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 29.24 2awt h ARG 36 CO 0.00 0.39 0.10 -3.38 -1.51 0.00 0.00 179.97 175.58 2awt s HIS 37 N -1.85 3.96 -0.03 2.20 -3.43 -1.26 -3.79 115.29 111.09 2awt s HIS 37 Ca -0.08 -2.72 0.02 0.00 -0.80 0.00 0.00 55.06 51.48 2awt s HIS 37 Cb -0.01 -3.54 0.01 0.00 -1.43 0.00 0.00 32.58 27.61 2awt s HIS 37 CO 0.28 -0.86 -0.10 0.99 -2.00 0.00 0.00 174.74 173.05 2awt s THR 38 N -0.96 0.85 -0.36 -5.38 2.01 -1.26 -5.10 115.64 105.44 2awt s THR 38 Ca 0.26 -0.38 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 2awt s THR 38 Cb -0.10 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2awt s THR 38 CO -0.09 0.27 1.70 -2.16 -0.69 0.00 0.00 174.62 173.65 2awt s PRO 39 N 0.33 3.38 0.64 4.92 0.04 -1.26 -4.85 135.00 138.20 2awt s PRO 39 Ca -0.06 1.29 0.28 0.00 0.04 0.00 0.00 61.00 62.55 2awt s PRO 39 Cb -0.11 -4.16 1.49 0.00 0.04 0.00 0.00 34.50 31.76 2awt s PRO 39 CO 0.01 -1.80 1.86 -0.07 0.04 0.00 0.00 177.00 177.04 2awt h LEU 40 N 13.36 0.00 -0.40 -3.56 3.38 -1.89 -2.55 115.31 123.66 2awt h LEU 40 Ca -0.32 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 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 2awt h LEU 40 CO 1.05 0.00 -0.55 0.28 0.09 0.00 0.00 178.44 179.31 2awt h SER 41 N 0.00 -1.83 -0.96 -0.43 0.02 -1.89 0.42 113.55 108.89 2awt h SER 41 Ca 0.08 0.24 0.25 0.00 -0.84 0.00 0.00 61.79 61.52 2awt h SER 41 Cb 0.93 0.75 -0.06 0.00 0.14 0.00 0.00 62.40 64.15 2awt h SER 41 CO -0.00 -0.40 0.65 0.07 -1.14 0.00 0.00 176.83 176.01 2awt h LYS 42 N -0.39 0.25 -0.08 3.45 2.10 -1.87 0.32 116.57 120.35 2awt h LYS 42 Ca 0.07 -0.02 -0.21 0.00 -2.00 0.00 0.00 60.65 58.49 2awt h LYS 42 Cb 0.58 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2awt h LYS 42 CO -0.58 0.17 -0.82 1.25 -2.00 0.00 0.00 179.45 177.46 2awt h LEU 43 N 0.26 0.66 -0.06 7.07 5.85 -0.50 -3.03 115.31 125.57 2awt h LEU 43 Ca 0.50 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2awt h LEU 43 Cb 1.50 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2awt h LEU 43 CO -0.15 1.24 -0.14 0.24 -0.34 0.00 0.00 178.44 179.29 2awt h MET 44 N 0.35 0.20 -0.22 1.25 2.86 0.29 -2.41 114.93 117.26 2awt h MET 44 Ca -0.06 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 57.51 2awt h MET 44 Cb 1.43 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 33.04 2awt h MET 44 CO 0.15 0.74 -0.30 0.87 1.06 0.00 0.00 176.91 179.43 2awt h LYS 45 N -0.31 -0.31 -0.70 1.72 1.57 -0.71 -1.51 116.57 116.32 2awt h LYS 45 Ca -0.00 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2awt h LYS 45 Cb 0.74 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 2awt h LYS 45 CO 0.03 -0.21 0.47 0.00 -0.57 0.00 0.00 179.45 179.17 2awt h ALA 46 N 0.61 0.89 -0.00 3.86 0.00 -1.61 -1.82 119.26 121.18 2awt h ALA 46 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2awt h ALA 46 Cb 0.52 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2awt h ALA 46 CO -0.40 0.31 0.00 0.98 0.00 0.00 0.00 179.25 180.14 2awt n TYR 47 N -4.60 0.00 -0.18 0.00 4.19 -0.64 -1.59 117.16 114.34 2awt n TYR 47 Ca 0.06 0.00 0.23 0.00 3.31 0.00 0.00 57.90 61.50 2awt n TYR 47 Cb 0.02 -0.50 0.62 0.00 0.49 0.00 0.00 39.34 39.97 2awt n TYR 47 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2awt h GLU 49 N 0.19 0.63 0.00 0.00 4.81 -0.39 0.62 114.58 120.45 2awt h GLU 49 Ca 0.42 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 59.27 2awt h GLU 49 Cb 1.34 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 2awt h GLU 49 CO -0.08 0.42 -2.30 2.89 -0.73 0.00 0.00 179.01 179.20 2awt n ARG 50 N -4.85 0.78 -2.07 1.92 1.85 -0.08 -4.54 116.66 109.68 2awt n ARG 50 Ca 0.24 0.07 -0.34 0.00 -1.00 0.00 0.00 57.85 56.81 2awt n ARG 50 Cb 0.62 -1.47 0.03 0.00 -1.05 0.00 0.00 32.46 30.59 2awt n ARG 50 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2awt n GLN 51 N -2.95 3.02 -0.98 2.89 7.27 0.10 -4.89 117.38 121.84 2awt n GLN 51 Ca -0.36 -3.87 -0.29 0.00 0.07 0.00 0.00 57.00 52.54 2awt n GLN 51 Cb 1.02 -2.27 -0.02 0.00 2.41 0.00 0.00 30.24 31.38 2awt n GLN 51 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2awt n GLY 52 N -0.56 3.58 0.13 1.69 0.00 0.21 -4.31 105.19 105.94 2awt n GLY 52 Ca 0.49 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 4.01 2.37 -2.78 0.99 4.77 -1.26 -4.86 117.00 120.23 2awt n LEU 53 Ca 0.59 0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 56.76 2awt n LEU 53 Cb 0.18 -1.01 0.01 0.00 -2.33 0.00 0.00 43.42 40.27 2awt n LEU 53 CO 0.77 0.66 0.11 -0.94 -1.33 0.00 0.00 177.39 176.66 2awt s SER 54 N -6.97 -1.41 0.53 -1.43 1.04 -1.26 -4.99 113.70 99.21 2awt s SER 54 Ca -0.28 -1.74 0.27 0.00 0.48 0.00 0.00 55.95 54.68 2awt s SER 54 Cb 0.08 1.87 1.49 0.00 0.10 0.00 0.00 66.02 69.55 2awt s SER 54 CO 0.66 -0.05 2.10 -0.03 0.98 0.00 0.00 173.24 176.89 2awt h MET 55 N 5.05 0.00 0.00 4.02 4.05 -1.89 -1.42 114.93 124.74 2awt h MET 55 Ca 0.06 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 2awt h MET 55 Cb 1.11 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.90 2awt h MET 55 CO 0.02 0.10 -0.17 -0.09 0.23 0.00 0.00 176.91 177.00 2awt h ARG 56 N 0.00 0.00 0.00 0.39 2.43 -1.99 -2.77 114.38 112.44 2awt h ARG 56 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2awt h ARG 56 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2awt h ARG 56 CO 0.01 0.17 -1.00 1.04 -1.51 0.00 0.00 179.97 178.68 2awt n GLN 57 N -3.32 0.57 -1.67 0.20 3.00 -0.56 -4.88 117.38 110.72 2awt n GLN 57 Ca 0.00 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 2awt n GLN 57 Cb 0.40 -1.80 -0.03 0.00 0.00 0.00 0.00 30.24 28.81 2awt n GLN 57 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2awt s ILE 58 N -3.35 3.04 -0.27 5.09 -1.09 -1.05 -4.13 121.20 119.44 2awt s ILE 58 Ca -0.00 0.05 -0.12 0.00 -2.23 0.00 0.00 60.65 58.35 2awt s ILE 58 Cb 0.10 -3.04 0.10 0.00 -1.58 0.00 0.00 42.46 38.05 2awt s ILE 58 CO 0.79 -0.01 0.62 0.00 -1.23 0.00 0.00 174.94 175.11 2awt s ARG 59 N 5.07 0.58 -0.10 2.79 1.70 -1.24 -4.97 118.95 122.79 2awt s ARG 59 Ca 0.92 1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 57.17 2awt s ARG 59 Cb -0.39 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.47 2awt s ARG 59 CO 0.39 -0.19 1.09 -0.06 -1.08 0.00 0.00 175.30 175.46 2awt s PHE 60 N 2.32 3.36 -0.01 5.89 0.08 -1.26 -2.25 117.98 126.11 2awt s PHE 60 Ca -0.07 1.42 -0.00 0.00 0.12 0.00 0.00 56.93 58.40 2awt s PHE 60 Cb -0.09 -3.29 0.01 0.00 -0.57 0.00 0.00 43.02 39.08 2awt s PHE 60 CO -0.18 -0.71 0.01 0.50 -0.10 0.00 0.00 175.22 174.74 2awt s ARG 61 N 2.21 -0.02 0.22 0.44 3.52 0.83 -3.59 118.95 122.58 2awt s ARG 61 Ca 0.51 0.08 0.07 0.00 -0.13 0.00 0.00 55.73 56.26 2awt s ARG 61 Cb -0.21 -0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.04 2awt s ARG 61 CO 0.19 -0.07 0.09 0.12 -0.81 0.00 0.00 175.30 174.82 2awt s PHE 62 N 0.44 2.95 -1.18 5.12 5.36 -1.18 -1.24 117.98 128.24 2awt s PHE 62 Ca -0.04 -0.13 -0.08 0.00 -0.96 0.00 0.00 56.93 55.73 2awt s PHE 62 Cb -0.05 -1.36 -0.09 0.00 -0.34 0.00 0.00 43.02 41.18 2awt s PHE 62 CO -0.01 0.55 2.64 -0.25 -1.46 0.00 0.00 175.22 176.68 2awt n ASP 63 N -0.74 6.82 0.00 6.13 8.00 -1.26 -3.05 116.55 132.44 2awt n ASP 63 Ca -0.08 -2.44 0.00 0.00 0.71 0.00 0.00 54.79 52.98 2awt n ASP 63 Cb 0.57 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 2awt n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2awt n GLY 64 N 3.55 0.04 3.56 0.44 0.00 -1.26 -5.16 105.19 106.36 2awt n GLY 64 Ca 0.61 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.61 0.62 0.87 1.61 -0.21 -1.17 -5.17 119.66 115.60 2awt s GLN 65 Ca 0.00 -0.24 -0.11 0.00 0.02 0.00 0.00 55.36 55.02 2awt s GLN 65 Cb 0.00 0.28 0.11 0.00 1.00 0.00 0.00 33.01 34.40 2awt s GLN 65 CO 0.00 -0.27 1.09 -1.25 -2.12 0.00 0.00 175.29 172.74 2awt s PRO 66 N -2.83 1.50 0.09 2.91 0.04 -1.26 -3.13 135.00 132.31 2awt s PRO 66 Ca 0.07 0.91 0.05 0.00 0.04 0.00 0.00 61.00 62.07 2awt s PRO 66 Cb -0.01 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2awt s PRO 66 CO -0.07 -2.10 -0.14 0.42 0.04 0.00 0.00 177.00 175.16 2awt s ILE 67 N -2.93 1.17 0.76 0.56 1.01 -1.24 -4.88 121.20 115.65 2awt s ILE 67 Ca 0.63 -1.49 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 2awt s ILE 67 Cb -0.18 -1.27 0.14 0.00 0.01 0.00 0.00 42.46 41.16 2awt s ILE 67 CO 0.57 -0.33 1.04 0.20 0.00 0.00 0.00 174.94 176.42 2awt s ASN 68 N -2.08 4.16 -0.08 3.58 0.01 -1.26 -4.82 114.94 114.45 2awt s ASN 68 Ca 0.03 -0.27 -0.05 0.00 -0.71 0.00 0.00 52.86 51.85 2awt s ASN 68 Cb -0.07 -0.05 -0.27 0.00 0.41 0.00 0.00 41.25 41.26 2awt s ASN 68 CO 0.02 -1.99 0.52 1.05 -1.51 0.00 0.00 177.10 175.19 2awt h GLU 69 N -0.69 0.27 -0.92 -0.60 4.11 -2.02 -3.35 114.58 111.38 2awt h GLU 69 Ca -0.37 -0.46 -0.30 0.00 0.07 0.00 0.00 59.36 58.29 2awt h GLU 69 Cb 1.26 0.17 -0.18 0.00 0.50 0.00 0.00 28.75 30.50 2awt h GLU 69 CO 0.40 1.15 0.39 -2.37 0.07 0.00 0.00 179.01 178.65 2awt n THR 70 N -3.46 2.58 -2.48 -1.06 5.66 -1.26 -4.75 114.28 109.51 2awt n THR 70 Ca -0.27 -1.39 -0.25 0.00 -3.05 0.00 0.00 64.05 59.09 2awt n THR 70 Cb 1.06 -0.52 0.14 0.00 -1.55 0.00 0.00 70.33 69.45 2awt n THR 70 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2awt s ASP 71 N -0.74 3.92 0.02 1.09 -4.77 -1.26 -5.04 116.67 109.89 2awt s ASP 71 Ca 0.44 -0.36 -0.08 0.00 -3.30 0.00 0.00 52.55 49.25 2awt s ASP 71 Cb 0.36 0.15 0.00 0.00 -1.09 0.00 0.00 42.92 42.34 2awt s ASP 71 CO 0.10 -2.17 0.15 0.42 0.70 0.00 0.00 175.17 174.37 2awt s THR 72 N -3.34 0.10 0.20 2.11 -4.23 -1.26 -4.51 115.64 104.70 2awt s THR 72 Ca 0.70 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 60.36 2awt s THR 72 Cb -0.04 -0.64 -0.02 0.00 1.34 0.00 0.00 72.50 73.14 2awt s THR 72 CO 0.47 -0.44 1.55 1.55 -0.54 0.00 0.00 174.62 177.20 2awt h PRO 73 N 3.95 0.66 0.00 3.99 0.13 -1.89 -2.92 132.00 135.92 2awt h PRO 73 Ca -0.31 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 64.46 2awt h PRO 73 Cb 1.19 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2awt h PRO 73 CO 0.44 0.96 -0.04 0.00 -0.23 0.00 0.00 178.00 179.13 2awt h ALA 74 N 0.99 1.35 -0.59 -0.56 0.00 -1.89 0.39 119.26 118.97 2awt h ALA 74 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2awt h ALA 74 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2awt h ALA 74 CO 0.09 0.05 0.00 0.94 0.00 0.00 0.00 179.25 180.32 2awt n GLN 75 N -3.64 2.73 0.00 0.00 7.27 -1.10 -3.94 117.38 118.69 2awt n GLN 75 Ca -0.03 -2.26 0.00 0.00 0.07 0.00 0.00 57.00 54.79 2awt n GLN 75 Cb 0.13 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 31.19 2awt n GLN 75 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2awt n LEU 76 N 1.14 0.45 -3.83 1.69 4.32 0.04 -4.97 117.00 115.85 2awt n LEU 76 Ca 0.21 -0.45 -0.23 0.00 -0.02 0.00 0.00 56.01 55.51 2awt n LEU 76 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 2awt n LEU 76 CO 0.16 0.11 -0.15 -0.62 -1.22 0.00 0.00 177.39 175.67 2awt n GLU 77 N -0.09 -4.01 -3.77 3.23 1.02 -0.67 -4.93 120.64 111.42 2awt n GLU 77 Ca 0.00 0.51 -0.32 0.00 -0.02 0.00 0.00 57.16 57.32 2awt n GLU 77 Cb 0.34 -4.83 -0.09 0.00 -0.02 0.00 0.00 31.44 26.84 2awt n GLU 77 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2awt s MET 78 N -6.27 2.81 0.00 3.49 -1.94 -1.07 -5.04 119.30 111.28 2awt s MET 78 Ca 0.01 -3.23 0.00 0.00 -1.71 0.00 0.00 55.69 50.76 2awt s MET 78 Cb -0.00 -3.68 0.00 0.00 2.01 0.00 0.00 34.83 33.16 2awt s MET 78 CO 0.85 -1.26 0.00 0.39 -0.01 0.00 0.00 175.02 174.99 2awt n GLU 79 N 2.29 0.62 -3.23 2.03 1.02 -1.26 -4.71 120.64 117.40 2awt n GLU 79 Ca 0.19 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.17 2awt n GLU 79 Cb 0.36 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.85 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 -1.71 -3.12 -2.81 1.62 8.00 -1.26 -3.25 116.55 114.03 2awt n ASP 80 Ca 0.00 -0.48 -0.13 0.00 0.71 0.00 0.00 54.79 54.89 2awt n ASP 80 Cb 0.00 -4.21 0.07 0.00 -0.02 0.00 0.00 41.12 36.95 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 -3.72 -4.99 -2.82 -1.24 1.02 -1.21 -4.98 120.64 102.71 2awt n GLU 81 Ca -0.16 0.63 -0.41 0.00 -0.02 0.00 0.00 57.16 57.20 2awt n GLU 81 Cb 0.61 -5.01 -0.04 0.00 -0.02 0.00 0.00 31.44 26.98 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 -3.98 7.28 -0.42 1.62 -1.08 -1.17 -4.85 116.67 114.07 2awt s ASP 82 Ca 0.02 1.55 -0.16 0.00 -0.52 0.00 0.00 52.55 53.44 2awt s ASP 82 Cb -0.01 -2.53 0.02 0.00 -1.46 0.00 0.00 42.92 38.95 2awt s ASP 82 CO 0.54 -0.17 0.38 -0.89 0.52 0.00 0.00 175.17 175.56 2awt s THR 83 N 0.69 5.16 -0.25 1.71 2.01 -1.26 -1.23 115.64 122.47 2awt s THR 83 Ca 0.46 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 2awt s THR 83 Cb -0.21 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2awt s THR 83 CO 0.25 -0.39 0.34 -0.63 -0.69 0.00 0.00 174.62 173.51 2awt s ILE 84 N 1.95 5.21 0.60 1.82 1.09 -0.24 -4.93 121.20 126.70 2awt s ILE 84 Ca 0.09 0.54 -0.19 0.00 -1.10 0.00 0.00 60.65 59.99 2awt s ILE 84 Cb -0.18 -3.67 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 2awt s ILE 84 CO 0.12 0.21 1.21 -1.81 -0.10 0.00 0.00 174.94 174.57 2awt s ASP 85 N 1.40 5.17 -0.06 3.58 1.11 -0.37 -3.17 116.67 124.32 2awt s ASP 85 Ca 0.15 2.39 -0.09 0.00 0.18 0.00 0.00 52.55 55.17 2awt s ASP 85 Cb -0.15 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.26 2awt s ASP 85 CO 0.09 -1.61 0.24 -0.69 1.18 0.00 0.00 175.17 174.38 2awt s VAL 86 N -1.60 0.03 -0.04 -1.27 1.01 -1.07 -0.12 120.40 117.34 2awt s VAL 86 Ca 0.77 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.36 2awt s VAL 86 Cb -0.30 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 2awt s VAL 86 CO 0.33 -0.12 0.46 0.12 0.00 0.00 0.00 175.10 175.89 2awt s PHE 87 N -0.44 3.65 0.19 5.22 2.19 -0.95 -3.03 117.98 124.80 2awt s PHE 87 Ca -0.05 0.99 -0.08 0.00 0.33 0.00 0.00 56.93 58.12 2awt s PHE 87 Cb -0.04 -2.44 -0.02 0.00 -1.31 0.00 0.00 43.02 39.22 2awt s PHE 87 CO 0.01 0.42 0.28 -0.65 1.83 0.00 0.00 175.22 177.12 2awt s GLN 88 N -0.33 1.24 -0.36 10.12 -0.21 -1.26 -3.41 119.66 125.45 2awt s GLN 88 Ca 0.25 -1.31 0.06 0.00 0.02 0.00 0.00 55.36 54.39 2awt s GLN 88 Cb -0.16 0.37 0.48 0.00 1.00 0.00 0.00 33.01 34.69 2awt s GLN 88 CO 0.13 -0.46 1.46 0.94 -2.12 0.00 0.00 175.29 175.24 2awt n GLN 89 N -0.26 2.69 -1.56 2.91 -0.06 -1.26 -5.04 117.38 114.80 2awt n GLN 89 Ca -0.04 -3.61 -0.30 0.00 -2.00 0.00 0.00 57.00 51.06 2awt n GLN 89 Cb 0.63 -2.08 0.09 0.00 -4.06 0.00 0.00 30.24 24.81 2awt n GLN 89 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 2awt s GLN 90 N -3.50 2.20 -0.94 3.69 0.74 -1.26 -4.94 119.66 115.65 2awt s GLN 90 Ca 0.51 0.67 -0.01 0.00 0.05 0.00 0.00 55.36 56.58 2awt s GLN 90 Cb 0.43 -1.93 0.30 0.00 1.10 0.00 0.00 33.01 32.91 2awt s GLN 90 CO 0.01 -1.55 1.32 -2.37 -0.55 0.00 0.00 175.29 172.15 2awt n THR 91 N -3.39 4.61 -3.66 -0.34 5.66 -1.26 -4.96 114.28 110.94 2awt n THR 91 Ca 0.07 -5.76 -0.07 0.00 -3.05 0.00 0.00 64.05 55.24 2awt n THR 91 Cb 0.56 -1.98 -0.08 0.00 -1.55 0.00 0.00 70.33 67.27 2awt n THR 91 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2awt s GLY 92 N -2.01 -0.47 -0.41 1.09 0.00 -1.26 -5.12 107.32 99.14 2awt s GLY 92 Ca 0.35 1.83 -0.05 0.00 0.00 0.00 0.00 44.72 46.85 2awt s GLY 92 CO 0.04 2.32 0.23 -0.32 0.00 0.00 0.00 173.10 175.36 2awt s GLY 93 N 2.14 1.98 0.01 0.20 0.00 -1.26 -3.92 107.32 106.46 2awt s GLY 93 Ca -0.06 -2.43 -0.01 0.00 0.00 0.00 0.00 44.72 42.22 2awt s GLY 93 CO -0.15 1.01 -0.01 -0.62 0.00 0.00 0.00 173.10 173.33 2awt n VAL 94 N 4.70 0.19 1.98 1.40 0.31 -1.23 -4.99 118.33 120.70 2awt n VAL 94 Ca -0.05 0.14 0.16 0.00 -0.01 0.00 0.00 64.34 64.58 2awt n VAL 94 Cb 0.42 -1.20 0.94 0.00 -0.91 0.00 0.00 33.84 33.09 2awt n VAL 94 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51