#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 3.32 0.21 3.04 0.00 -1.26 -5.09 121.76 121.97 2awt s ALA 2 Ca 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 2awt s ALA 2 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 2awt s ALA 2 CO 0.00 0.12 0.31 -0.51 0.00 0.00 0.00 175.76 175.68 2awt s ASP 3 N 0.48 0.03 0.03 0.00 1.11 -1.26 -5.17 116.67 111.89 2awt s ASP 3 Ca 0.02 -1.05 -0.00 0.00 0.18 0.00 0.00 52.55 51.70 2awt s ASP 3 Cb -0.13 0.47 -0.04 0.00 1.07 0.00 0.00 42.92 44.29 2awt s ASP 3 CO 0.01 -0.97 0.14 -1.83 1.18 0.00 0.00 175.17 173.70 2awt s GLU 4 N -4.04 3.22 -0.40 8.23 -1.05 -1.26 -5.06 118.70 118.33 2awt s GLU 4 Ca 0.26 -0.47 0.07 0.00 -0.15 0.00 0.00 54.97 54.67 2awt s GLU 4 Cb 0.03 -2.94 0.22 0.00 -0.44 0.00 0.00 34.13 31.00 2awt s GLU 4 CO 0.07 0.63 0.48 1.63 0.95 0.00 0.00 175.26 179.02 2awt n LYS 5 N 0.77 0.54 -2.24 -4.83 4.76 -1.26 -5.12 118.16 110.79 2awt n LYS 5 Ca -0.10 -3.14 -0.41 0.00 -2.87 0.00 0.00 58.31 51.79 2awt n LYS 5 Cb 0.52 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.31 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2awt s PRO 6 N -0.69 4.41 -0.33 1.97 0.04 -1.26 -4.97 135.00 134.17 2awt s PRO 6 Ca 0.34 2.05 0.16 0.00 0.04 0.00 0.00 61.00 63.59 2awt s PRO 6 Cb 0.13 -3.18 0.46 0.00 0.04 0.00 0.00 34.50 31.95 2awt s PRO 6 CO -0.14 -0.18 1.01 1.63 0.04 0.00 0.00 177.00 179.35 2awt n LYS 7 N 2.16 1.74 -3.64 4.56 5.02 -1.26 -5.05 118.16 121.69 2awt n LYS 7 Ca 0.04 -3.56 -0.03 0.00 -2.02 0.00 0.00 58.31 52.74 2awt n LYS 7 Cb 0.43 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.86 2awt n LYS 7 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2awt s GLU 8 N -3.31 0.40 0.00 1.97 2.12 -1.26 -5.10 118.70 113.52 2awt s GLU 8 Ca 0.32 0.67 0.00 0.00 0.36 0.00 0.00 54.97 56.32 2awt s GLU 8 Cb 0.43 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.91 2awt s GLU 8 CO -0.01 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.04 2awt n GLY 9 N 3.58 0.13 3.65 -1.50 0.00 -1.26 -5.17 105.19 104.62 2awt n GLY 9 Ca -0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -0.90 0.35 1.61 0.11 -1.26 -5.17 120.40 115.14 2awt s VAL 10 Ca 0.00 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 2awt s VAL 10 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2awt s VAL 10 CO 0.00 0.00 0.22 -0.54 -3.33 0.00 0.00 175.10 171.45 2awt s LYS 11 N 2.78 2.50 -0.28 1.54 -0.14 -1.26 -5.14 119.74 119.74 2awt s LYS 11 Ca -0.06 -1.48 -0.19 0.00 -1.36 0.00 0.00 55.97 52.88 2awt s LYS 11 Cb -0.11 -2.29 0.11 0.00 -1.68 0.00 0.00 37.83 33.86 2awt s LYS 11 CO -0.19 0.05 0.85 -0.08 -0.76 0.00 0.00 175.35 175.23 2awt s THR 12 N -2.40 0.00 -0.13 2.17 -1.32 -1.26 -5.18 115.64 107.52 2awt s THR 12 Ca 0.40 0.00 -0.33 0.00 -1.21 0.00 0.00 61.69 60.55 2awt s THR 12 Cb -0.03 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.08 2awt s THR 12 CO 0.25 0.00 1.10 -0.70 -2.21 0.00 0.00 174.62 173.05 2awt s GLU 13 N 1.09 0.48 -0.86 7.08 2.56 -1.26 -5.10 118.70 122.70 2awt s GLU 13 Ca -0.06 -0.18 -0.23 0.00 0.00 0.00 0.00 54.97 54.51 2awt s GLU 13 Cb -0.05 0.22 0.07 0.00 2.00 0.00 0.00 34.13 36.37 2awt s GLU 13 CO -0.13 -0.21 1.24 1.21 -0.56 0.00 0.00 175.26 176.81 2awt s ASN 14 N -2.27 6.38 0.35 -1.70 3.84 -1.26 -4.93 114.94 115.35 2awt s ASN 14 Ca 0.08 -1.24 -0.14 0.00 0.21 0.00 0.00 52.86 51.77 2awt s ASN 14 Cb -0.01 -2.50 0.04 0.00 -0.55 0.00 0.00 41.25 38.22 2awt s ASN 14 CO -0.06 -1.48 0.70 0.54 -2.79 0.00 0.00 177.10 174.00 2awt s ASN 15 N 4.13 0.11 0.80 -4.21 4.22 -1.26 -5.17 114.94 113.56 2awt s ASN 15 Ca 0.36 -1.10 -0.12 0.00 -2.14 0.00 0.00 52.86 49.86 2awt s ASN 15 Cb -0.06 0.78 0.07 0.00 1.28 0.00 0.00 41.25 43.32 2awt s ASN 15 CO 0.00 -1.52 1.14 -1.81 -2.04 0.00 0.00 177.10 172.87 2awt s ASP 16 N -3.07 4.57 -0.30 3.54 1.01 -1.26 -5.04 116.67 116.12 2awt s ASP 16 Ca 0.18 0.96 -0.04 0.00 0.71 0.00 0.00 52.55 54.36 2awt s ASP 16 Cb -0.04 -1.58 0.17 0.00 1.01 0.00 0.00 42.92 42.48 2awt s ASP 16 CO 0.12 -1.88 0.62 -1.38 0.21 0.00 0.00 175.17 172.86 2awt s HIS 17 N -3.42 -1.52 0.09 4.23 -3.43 -1.26 -3.87 115.29 106.11 2awt s HIS 17 Ca 0.61 1.90 0.00 0.00 -0.80 0.00 0.00 55.06 56.77 2awt s HIS 17 Cb -0.12 0.64 0.00 0.00 -1.43 0.00 0.00 32.58 31.67 2awt s HIS 17 CO 0.51 -0.81 0.02 0.44 -2.00 0.00 0.00 174.74 172.90 2awt n ILE 18 N 5.43 0.00 -4.47 -5.38 -5.35 0.79 -4.94 119.36 105.44 2awt n ILE 18 Ca -0.04 -0.41 -0.22 0.00 -0.27 0.00 0.00 62.75 61.81 2awt n ILE 18 Cb 0.50 -0.07 -0.14 0.00 -1.74 0.00 0.00 39.64 38.20 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 -1.51 1.91 -0.01 7.28 2.47 -1.26 -3.17 114.94 120.66 2awt s ASN 19 Ca 0.02 -0.45 -0.09 0.00 0.42 0.00 0.00 52.86 52.75 2awt s ASN 19 Cb -0.00 -0.14 0.01 0.00 -1.45 0.00 0.00 41.25 39.66 2awt s ASN 19 CO 0.01 0.09 0.19 -0.76 -3.72 0.00 0.00 177.10 172.90 2awt s LEU 20 N -1.06 1.36 -0.19 3.21 1.43 -0.96 -3.63 118.68 118.84 2awt s LEU 20 Ca 0.04 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2awt s LEU 20 Cb -0.08 0.83 0.06 0.00 0.03 0.00 0.00 46.19 47.03 2awt s LEU 20 CO 0.01 -0.38 0.06 -0.54 0.23 0.00 0.00 176.35 175.73 2awt s LYS 21 N -1.30 0.46 -0.55 1.70 1.02 -0.77 -0.67 119.74 119.62 2awt s LYS 21 Ca -0.14 -0.34 -0.22 0.00 0.02 0.00 0.00 55.97 55.29 2awt s LYS 21 Cb -0.07 -2.00 0.05 0.00 -0.52 0.00 0.00 37.83 35.30 2awt s LYS 21 CO 0.02 -0.67 0.84 0.08 -0.92 0.00 0.00 175.35 174.70 2awt s VAL 22 N 1.95 4.54 -0.06 3.17 1.01 0.93 0.05 120.40 131.99 2awt s VAL 22 Ca 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2awt s VAL 22 Cb -0.17 -4.49 0.02 0.00 0.00 0.00 0.00 36.38 31.75 2awt s VAL 22 CO -0.10 -1.07 -0.08 0.00 0.00 0.00 0.00 175.10 173.86 2awt s ALA 23 N 3.54 1.01 0.08 5.51 0.00 -0.74 -0.58 121.76 130.58 2awt s ALA 23 Ca 0.24 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 2awt s ALA 23 Cb -0.15 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 2awt s ALA 23 CO 0.15 -0.02 0.44 0.20 0.00 0.00 0.00 175.76 176.53 2awt s GLY 24 N 0.94 2.39 0.56 0.00 0.00 0.32 -3.06 107.32 108.47 2awt s GLY 24 Ca -0.10 -0.29 0.38 0.00 0.00 0.00 0.00 44.72 44.70 2awt s GLY 24 CO 0.01 -0.04 2.15 -1.61 0.00 0.00 0.00 173.10 173.61 2awt h GLN 25 N 3.82 0.00 0.00 2.90 -0.00 -1.86 -3.10 115.11 116.87 2awt h GLN 25 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.16 2awt h GLN 25 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.68 2awt h GLN 25 CO 0.66 0.00 0.00 -0.25 0.00 0.00 0.00 178.83 179.24 2awt n ASP 26 N -2.82 0.00 -2.70 -0.69 9.92 -1.26 -4.93 116.55 114.07 2awt n ASP 26 Ca -0.03 0.37 -0.06 0.00 -0.53 0.00 0.00 54.79 54.54 2awt n ASP 26 Cb 0.07 -0.35 0.09 0.00 -0.64 0.00 0.00 41.12 40.29 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 2.00 0.05 3.00 0.44 0.00 -1.20 -4.98 105.19 104.49 2awt n GLY 27 Ca 0.00 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 2awt n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2awt s SER 28 N -0.85 0.37 -0.30 1.61 0.15 -1.18 -4.91 113.70 108.59 2awt s SER 28 Ca 0.19 -0.50 -0.18 0.00 0.70 0.00 0.00 55.95 56.16 2awt s SER 28 Cb 0.29 0.08 0.18 0.00 -1.71 0.00 0.00 66.02 64.87 2awt s SER 28 CO -0.09 -0.27 1.23 0.54 1.20 0.00 0.00 173.24 175.84 2awt s VAL 29 N -1.42 -0.12 -0.12 4.45 0.11 -1.20 -0.53 120.40 121.57 2awt s VAL 29 Ca -0.14 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.78 2awt s VAL 29 Cb -0.10 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.79 2awt s VAL 29 CO -0.01 0.00 0.36 0.54 -3.33 0.00 0.00 175.10 172.66 2awt s VAL 30 N 2.45 0.01 0.05 2.04 0.11 0.25 -4.93 120.40 120.38 2awt s VAL 30 Ca -0.03 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 2awt s VAL 30 Cb -0.04 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2awt s VAL 30 CO -0.13 -0.03 0.19 -1.10 -3.33 0.00 0.00 175.10 170.71 2awt s GLN 31 N 0.02 3.38 0.22 1.54 -0.21 -1.26 -0.05 119.66 123.30 2awt s GLN 31 Ca -0.02 -0.45 -0.12 0.00 0.02 0.00 0.00 55.36 54.80 2awt s GLN 31 Cb -0.03 -3.01 -0.01 0.00 1.00 0.00 0.00 33.01 30.96 2awt s GLN 31 CO 0.01 0.61 0.42 -0.06 -2.12 0.00 0.00 175.29 174.15 2awt s PHE 32 N -1.48 0.39 -0.03 0.91 0.40 0.15 -4.98 117.98 113.36 2awt s PHE 32 Ca 0.34 -0.74 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 2awt s PHE 32 Cb -0.13 0.10 0.02 0.00 0.51 0.00 0.00 43.02 43.52 2awt s PHE 32 CO 0.26 -0.91 -0.01 -1.59 0.70 0.00 0.00 175.22 173.68 2awt s LYS 33 N -4.01 0.34 0.18 0.44 -2.85 -1.26 -2.26 119.74 110.33 2awt s LYS 33 Ca 0.22 0.03 -0.20 0.00 -1.00 0.00 0.00 55.97 55.01 2awt s LYS 33 Cb 0.01 -0.48 0.05 0.00 -2.06 0.00 0.00 37.83 35.35 2awt s LYS 33 CO 0.06 -0.10 0.57 -1.50 0.10 0.00 0.00 175.35 174.48 2awt s ILE 34 N 0.83 0.02 0.31 3.79 2.07 -1.19 -5.00 121.20 122.03 2awt s ILE 34 Ca -0.09 -0.43 -0.05 0.00 -1.41 0.00 0.00 60.65 58.67 2awt s ILE 34 Cb -0.12 -1.32 0.08 0.00 0.13 0.00 0.00 42.46 41.23 2awt s ILE 34 CO -0.01 -0.08 0.20 2.29 -1.91 0.00 0.00 174.94 175.43 2awt n LYS 35 N -0.36 -2.38 0.01 3.50 2.85 -1.25 -0.15 118.16 120.38 2awt n LYS 35 Ca -0.13 -0.33 0.04 0.00 -1.05 0.00 0.00 58.31 56.84 2awt n LYS 35 Cb 0.63 -0.40 -0.11 0.00 -0.65 0.00 0.00 35.03 34.50 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 -2.69 0.64 -2.85 -1.58 0.63 -1.26 -4.39 116.66 105.16 2awt n ARG 36 Ca 0.03 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.65 2awt n ARG 36 Cb 0.13 -1.65 -0.02 0.00 0.45 0.00 0.00 32.46 31.36 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 -2.59 3.69 -4.57 -0.14 1.44 -1.26 -3.59 115.22 108.21 2awt n HIS 37 Ca -0.10 -3.58 -0.33 0.00 -2.01 0.00 0.00 57.72 51.70 2awt n HIS 37 Cb 0.74 -0.69 -0.11 0.00 0.12 0.00 0.00 29.99 30.05 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 -4.44 3.70 -0.32 0.61 -1.32 -1.26 -5.07 115.64 107.54 2awt s THR 38 Ca 0.46 -0.57 -0.29 0.00 -1.21 0.00 0.00 61.69 60.09 2awt s THR 38 Cb 0.25 -2.54 -0.01 0.00 -1.51 0.00 0.00 72.50 68.69 2awt s THR 38 CO -0.14 0.53 1.67 -2.16 -2.21 0.00 0.00 174.62 172.32 2awt s PRO 39 N -1.01 3.50 0.61 7.08 0.04 -1.26 -4.83 135.00 139.13 2awt s PRO 39 Ca 0.14 1.39 0.28 0.00 0.04 0.00 0.00 61.00 62.85 2awt s PRO 39 Cb -0.11 -4.12 1.44 0.00 0.04 0.00 0.00 34.50 31.75 2awt s PRO 39 CO 0.03 -1.65 1.84 -0.07 0.04 0.00 0.00 177.00 177.19 2awt h LEU 40 N 12.87 0.00 -0.20 -3.56 3.38 -1.87 -2.33 115.31 123.60 2awt h LEU 40 Ca -0.32 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.68 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 1.03 0.00 -0.54 0.77 0.09 0.00 0.00 178.44 179.79 2awt h SER 41 N 0.00 -1.74 -0.75 -0.43 4.64 -1.89 0.34 113.55 113.72 2awt h SER 41 Ca 0.16 0.21 0.22 0.00 -0.47 0.00 0.00 61.79 61.91 2awt h SER 41 Cb 1.15 0.69 -0.03 0.00 -0.31 0.00 0.00 62.40 63.90 2awt h SER 41 CO -0.00 -0.46 0.59 0.07 -0.87 0.00 0.00 176.83 176.15 2awt h LYS 42 N -0.53 0.00 0.15 4.77 2.10 -1.83 0.16 116.57 121.39 2awt h LYS 42 Ca 0.05 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 2awt h LYS 42 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2awt h LYS 42 CO -0.48 0.00 -0.07 1.25 -2.00 0.00 0.00 179.45 178.15 2awt h LEU 43 N 0.00 -0.17 -0.60 7.07 5.85 -0.56 -2.96 115.31 123.94 2awt h LEU 43 Ca 0.36 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.19 2awt h LEU 43 Cb 1.53 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.52 2awt h LEU 43 CO -0.00 0.08 0.15 -0.03 -0.34 0.00 0.00 178.44 178.30 2awt h MET 44 N -0.62 0.29 0.02 1.25 4.05 -0.43 0.11 114.93 119.60 2awt h MET 44 Ca -0.02 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 2awt h MET 44 Cb 0.16 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.84 2awt h MET 44 CO 0.03 0.19 -0.49 -0.22 0.23 0.00 0.00 176.91 176.65 2awt h LYS 45 N 0.30 -0.63 -0.23 0.39 3.64 -0.83 0.08 116.57 119.28 2awt h LYS 45 Ca 0.31 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2awt h LYS 45 Cb 0.45 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2awt h LYS 45 CO -0.38 -0.42 0.15 0.00 -2.27 0.00 0.00 179.45 176.53 2awt h ALA 46 N -0.29 0.29 -0.00 5.00 0.00 -1.26 -1.49 119.26 121.51 2awt h ALA 46 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2awt h ALA 46 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2awt h ALA 46 CO -0.33 -0.24 -0.11 -0.92 0.00 0.00 0.00 179.25 177.65 2awt h TYR 47 N 0.30 -0.33 -0.96 0.00 3.20 -0.33 -1.41 116.97 117.45 2awt h TYR 47 Ca 0.09 0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.19 2awt h TYR 47 Cb -0.03 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 38.31 2awt h TYR 47 CO -0.07 -0.12 0.63 0.00 -1.64 0.00 0.00 178.16 176.96 2awt h GLU 49 N 0.45 0.45 -0.01 0.00 4.81 -0.16 0.62 114.58 120.75 2awt h GLU 49 Ca 0.52 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 2awt h GLU 49 Cb 1.24 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2awt h GLU 49 CO -0.23 0.30 -0.39 2.89 -0.73 0.00 0.00 179.01 180.84 2awt n ARG 50 N -4.58 2.41 -2.14 1.92 1.85 0.43 -4.53 116.66 112.02 2awt n ARG 50 Ca 0.22 -0.39 -0.14 0.00 -1.00 0.00 0.00 57.85 56.54 2awt n ARG 50 Cb 0.74 -1.12 0.04 0.00 -1.05 0.00 0.00 32.46 31.07 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 -0.67 2.82 -1.27 2.89 1.13 0.11 -4.95 117.38 117.44 2awt n GLN 51 Ca 0.04 -3.85 -0.37 0.00 -1.94 0.00 0.00 57.00 50.88 2awt n GLN 51 Cb 0.23 -1.97 -0.02 0.00 0.11 0.00 0.00 30.24 28.59 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 -0.67 3.69 0.07 1.08 0.00 0.20 -4.20 105.19 105.36 2awt n GLY 52 Ca 0.30 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 5.26 1.49 -2.76 0.99 4.77 -1.26 -4.91 117.00 120.58 2awt n LEU 53 Ca 0.57 -0.04 -0.04 0.00 -0.03 0.00 0.00 56.01 56.47 2awt n LEU 53 Cb 0.29 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2awt n LEU 53 CO 0.87 0.53 0.12 -0.55 -1.33 0.00 0.00 177.39 177.04 2awt s SER 54 N -5.01 -1.44 0.64 -1.43 0.15 -1.26 -4.46 113.70 100.89 2awt s SER 54 Ca -0.14 -1.73 0.38 0.00 0.70 0.00 0.00 55.95 55.17 2awt s SER 54 Cb 0.05 1.89 2.15 0.00 -1.71 0.00 0.00 66.02 68.40 2awt s SER 54 CO 0.43 -0.05 2.28 0.00 1.20 0.00 0.00 173.24 177.10 2awt h MET 55 N 5.00 0.00 -0.35 5.44 -0.00 -1.90 0.34 114.93 123.46 2awt h MET 55 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2awt h MET 55 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.71 2awt h MET 55 CO 0.01 0.00 0.00 0.54 -0.00 0.00 0.00 176.91 177.46 2awt n ARG 56 N -3.31 1.83 0.00 -0.10 3.00 -1.26 -4.27 116.66 112.55 2awt n ARG 56 Ca -0.03 -1.29 0.00 0.00 -0.01 0.00 0.00 57.85 56.53 2awt n ARG 56 Cb 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.30 2awt n ARG 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2awt n GLN 57 N 0.55 0.00 -1.61 5.56 6.02 0.85 -5.03 117.38 123.71 2awt n GLN 57 Ca 0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 2awt n GLN 57 Cb 0.30 -0.27 -0.03 0.00 1.02 0.00 0.00 30.24 31.26 2awt n GLN 57 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2awt n ILE 58 N -2.52 0.42 -3.71 5.09 2.08 0.73 -4.22 119.36 117.23 2awt n ILE 58 Ca 0.00 -0.41 -0.14 0.00 0.56 0.00 0.00 62.75 62.76 2awt n ILE 58 Cb 0.18 -2.53 -0.09 0.00 -0.75 0.00 0.00 39.64 36.45 2awt n ILE 58 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2awt s ARG 59 N 6.05 0.67 0.02 0.38 1.81 -1.25 -4.88 118.95 121.74 2awt s ARG 59 Ca 0.99 0.20 -0.30 0.00 -1.72 0.00 0.00 55.73 54.90 2awt s ARG 59 Cb -0.35 0.31 -0.05 0.00 -0.45 0.00 0.00 34.95 34.41 2awt s ARG 59 CO 0.36 -0.16 1.16 -0.06 -0.68 0.00 0.00 175.30 175.93 2awt s PHE 60 N -0.68 3.41 -0.16 -0.53 0.08 -1.26 -2.22 117.98 116.62 2awt s PHE 60 Ca -0.08 1.34 -0.07 0.00 0.12 0.00 0.00 56.93 58.24 2awt s PHE 60 Cb -0.04 -3.37 0.06 0.00 -0.57 0.00 0.00 43.02 39.10 2awt s PHE 60 CO 0.04 -1.09 0.36 0.50 -0.10 0.00 0.00 175.22 174.93 2awt s ARG 61 N 1.35 0.31 0.28 0.44 3.00 -0.74 -3.61 118.95 119.98 2awt s ARG 61 Ca 0.57 0.77 -0.01 0.00 -1.00 0.00 0.00 55.73 56.06 2awt s ARG 61 Cb -0.27 0.02 -0.04 0.00 0.00 0.00 0.00 34.95 34.66 2awt s ARG 61 CO 0.27 -0.19 0.49 0.12 0.00 0.00 0.00 175.30 175.99 2awt s PHE 62 N 1.71 3.49 -1.00 5.12 5.36 -1.15 -0.65 117.98 130.85 2awt s PHE 62 Ca -0.07 0.40 -0.07 0.00 -0.96 0.00 0.00 56.93 56.23 2awt s PHE 62 Cb -0.10 -1.92 -0.09 0.00 -0.34 0.00 0.00 43.02 40.58 2awt s PHE 62 CO -0.11 0.24 2.51 -3.47 -1.46 0.00 0.00 175.22 172.93 2awt n ASP 63 N -1.17 6.04 0.00 6.13 2.03 -1.26 -3.09 116.55 125.23 2awt n ASP 63 Ca -0.04 -2.39 0.00 0.00 0.52 0.00 0.00 54.79 52.88 2awt n ASP 63 Cb 0.55 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 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 3.51 0.08 3.37 0.27 0.00 -1.26 -5.16 105.19 106.00 2awt n GLY 64 Ca 0.54 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.02 1.18 0.90 1.61 -1.52 -1.18 -5.17 119.66 114.46 2awt s GLN 65 Ca 0.00 -0.58 -0.12 0.00 -1.95 0.00 0.00 55.36 52.72 2awt s GLN 65 Cb 0.00 0.53 0.13 0.00 -0.22 0.00 0.00 33.01 33.45 2awt s GLN 65 CO 0.00 -0.49 1.09 -1.25 -0.25 0.00 0.00 175.29 174.39 2awt s PRO 66 N -3.76 1.22 -0.06 2.91 0.04 -1.26 -2.94 135.00 131.15 2awt s PRO 66 Ca 0.02 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 61.84 2awt s PRO 66 Cb 0.00 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.78 2awt s PRO 66 CO -0.12 -2.26 0.12 0.42 0.04 0.00 0.00 177.00 175.19 2awt s ILE 67 N -2.94 -0.10 0.21 0.56 1.01 -1.24 -4.84 121.20 113.86 2awt s ILE 67 Ca 0.63 0.25 0.08 0.00 0.00 0.00 0.00 60.65 61.61 2awt s ILE 67 Cb -0.18 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 2awt s ILE 67 CO 0.57 0.10 0.03 0.20 0.00 0.00 0.00 174.94 175.84 2awt s ASN 68 N 1.46 4.83 0.29 3.58 -0.87 -1.26 -4.59 114.94 118.39 2awt s ASN 68 Ca -0.06 -0.43 0.04 0.00 -1.57 0.00 0.00 52.86 50.84 2awt s ASN 68 Cb -0.12 -1.03 0.67 0.00 -0.02 0.00 0.00 41.25 40.74 2awt s ASN 68 CO -0.05 0.05 1.79 1.05 -2.57 0.00 0.00 177.10 177.37 2awt h GLU 69 N 2.32 0.78 -0.27 -0.60 4.11 -1.98 -1.28 114.58 117.67 2awt h GLU 69 Ca -0.46 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 58.89 2awt h GLU 69 Cb 1.22 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2awt h GLU 69 CO 0.59 0.52 0.04 1.15 0.07 0.00 0.00 179.01 181.38 2awt h THR 70 N 0.81 1.23 -3.32 -1.06 2.02 -2.00 -3.40 112.91 107.20 2awt h THR 70 Ca 0.55 -0.79 -0.56 0.00 0.77 0.00 0.00 66.41 66.37 2awt h THR 70 Cb 0.77 1.24 0.18 0.00 -1.74 0.00 0.00 68.15 68.60 2awt h THR 70 CO -0.35 0.25 -0.28 0.47 0.37 0.00 0.00 175.52 175.98 2awt n ASP 71 N -4.66 -0.79 -4.46 4.18 9.92 -0.48 -4.95 116.55 115.30 2awt n ASP 71 Ca -0.03 0.62 -0.24 0.00 -0.53 0.00 0.00 54.79 54.61 2awt n ASP 71 Cb 0.21 -1.26 -0.10 0.00 -0.64 0.00 0.00 41.12 39.33 2awt n ASP 71 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2awt s THR 72 N -1.87 2.43 -1.17 -3.53 -4.23 -1.26 -4.78 115.64 101.23 2awt s THR 72 Ca 0.68 -2.36 0.14 0.00 -1.18 0.00 0.00 61.69 58.97 2awt s THR 72 Cb -0.36 -2.27 0.17 0.00 1.34 0.00 0.00 72.50 71.38 2awt s THR 72 CO 0.56 -0.38 1.43 -0.81 -0.54 0.00 0.00 174.62 174.88 2awt n PRO 73 N -0.52 0.08 -0.02 3.99 -0.04 -1.26 -2.99 135.00 134.25 2awt n PRO 73 Ca -0.06 0.21 -0.16 0.00 -0.04 0.00 0.00 63.50 63.46 2awt n PRO 73 Cb 0.60 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 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 2.57 0.04 -0.41 0.55 0.00 -1.96 -3.09 119.26 116.95 2awt h ALA 74 Ca 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2awt h ALA 74 Cb 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2awt h ALA 74 CO 0.00 0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.44 2awt n GLN 75 N -4.43 3.82 -0.00 0.00 6.02 -1.16 -3.86 117.38 117.76 2awt n GLN 75 Ca -0.10 -2.27 0.01 0.00 -0.01 0.00 0.00 57.00 54.63 2awt n GLN 75 Cb 0.55 -2.06 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 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 0.45 0.00 -2.68 1.08 7.99 -1.18 -4.97 117.00 117.68 2awt n LEU 76 Ca 0.20 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 56.01 2awt n LEU 76 Cb 0.94 0.01 0.04 0.00 -0.11 0.00 0.00 43.42 44.30 2awt n LEU 76 CO 0.24 0.01 0.05 -0.62 -1.51 0.00 0.00 177.39 175.55 2awt n GLU 77 N -1.69 -4.71 -2.97 3.23 1.02 -1.17 -4.93 120.64 109.42 2awt n GLU 77 Ca -0.01 0.75 -0.42 0.00 -0.02 0.00 0.00 57.16 57.46 2awt n GLU 77 Cb 0.16 -5.33 0.01 0.00 -0.02 0.00 0.00 31.44 26.26 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 -3.68 4.53 -1.60 3.49 0.00 -1.24 -4.97 117.12 113.64 2awt n MET 78 Ca -0.07 -4.59 0.00 0.00 0.00 0.00 0.00 57.70 53.04 2awt n MET 78 Cb 0.59 -2.49 0.00 0.00 0.00 0.00 0.00 33.22 31.33 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 1.03 1.06 -3.33 3.17 1.02 -1.26 -4.66 120.64 117.68 2awt n GLU 79 Ca 0.30 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.26 2awt n GLU 79 Cb 0.32 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.82 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 -1.70 -3.67 -2.92 1.62 8.00 -1.26 -2.86 116.55 113.77 2awt n ASP 80 Ca 0.00 -0.50 -0.16 0.00 0.71 0.00 0.00 54.79 54.83 2awt n ASP 80 Cb 0.00 -4.45 0.07 0.00 -0.02 0.00 0.00 41.12 36.71 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 -4.00 -5.79 -2.61 -1.24 1.02 -1.25 -4.96 120.64 101.82 2awt n GLU 81 Ca -0.14 0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 57.24 2awt n GLU 81 Cb 0.61 -5.15 -0.03 0.00 -0.02 0.00 0.00 31.44 26.85 2awt n GLU 81 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2awt s ASP 82 N -3.62 7.20 -0.33 1.62 1.01 -1.13 -4.84 116.67 116.58 2awt s ASP 82 Ca 0.25 1.66 -0.18 0.00 0.71 0.00 0.00 52.55 54.99 2awt s ASP 82 Cb -0.11 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.25 2awt s ASP 82 CO 0.57 -0.45 0.54 -0.89 0.21 0.00 0.00 175.17 175.14 2awt s THR 83 N 1.83 5.01 0.16 -1.27 2.01 -1.26 -1.85 115.64 120.27 2awt s THR 83 Ca 0.52 0.52 -0.15 0.00 0.31 0.00 0.00 61.69 62.89 2awt s THR 83 Cb -0.21 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.28 2awt s THR 83 CO 0.21 -0.16 0.57 -0.63 -0.69 0.00 0.00 174.62 173.93 2awt s ILE 84 N 2.43 4.82 -0.22 1.82 1.01 0.11 -4.78 121.20 126.39 2awt s ILE 84 Ca 0.20 0.87 -0.08 0.00 0.00 0.00 0.00 60.65 61.64 2awt s ILE 84 Cb -0.15 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2awt s ILE 84 CO 0.13 0.21 0.09 -1.81 0.00 0.00 0.00 174.94 173.56 2awt s ASP 85 N -1.75 5.61 0.54 3.58 1.11 0.18 -1.80 116.67 124.14 2awt s ASP 85 Ca 0.39 -0.00 -0.06 0.00 0.18 0.00 0.00 52.55 53.06 2awt s ASP 85 Cb -0.15 -1.99 -0.02 0.00 1.07 0.00 0.00 42.92 41.83 2awt s ASP 85 CO 0.19 0.07 0.86 0.54 1.18 0.00 0.00 175.17 178.02 2awt s VAL 86 N 0.98 4.39 -0.21 -1.27 0.11 -1.17 -1.79 120.40 121.44 2awt s VAL 86 Ca 0.05 0.19 -0.06 0.00 -2.93 0.00 0.00 61.98 59.24 2awt s VAL 86 Cb -0.14 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 30.98 2awt s VAL 86 CO 0.03 -0.73 0.01 0.12 -3.33 0.00 0.00 175.10 171.21 2awt s PHE 87 N -2.89 3.06 -0.30 1.54 5.36 -0.94 -4.36 117.98 119.45 2awt s PHE 87 Ca 0.51 -0.43 -0.07 0.00 -0.96 0.00 0.00 56.93 55.98 2awt s PHE 87 Cb -0.10 -2.11 0.15 0.00 -0.34 0.00 0.00 43.02 40.61 2awt s PHE 87 CO 0.46 -0.24 0.64 1.14 -1.46 0.00 0.00 175.22 175.76 2awt s GLN 88 N 1.07 0.57 0.00 10.12 -2.07 -1.26 -2.19 119.66 125.90 2awt s GLN 88 Ca 0.03 1.31 0.00 0.00 -1.82 0.00 0.00 55.36 54.88 2awt s GLN 88 Cb -0.14 0.78 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 2awt s GLN 88 CO 0.02 -0.32 0.00 0.94 -1.32 0.00 0.00 175.29 174.61 2awt n GLN 89 N 5.44 0.00 -3.95 9.60 -0.06 -1.26 -4.87 117.38 122.27 2awt n GLN 89 Ca -0.09 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.57 2awt n GLN 89 Cb 0.50 -0.23 -0.14 0.00 -4.06 0.00 0.00 30.24 26.30 2awt n GLN 89 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 2awt s GLN 90 N -0.51 2.80 0.31 3.69 -2.07 -1.26 -5.10 119.66 117.52 2awt s GLN 90 Ca 0.00 -1.00 0.03 0.00 -1.82 0.00 0.00 55.36 52.56 2awt s GLN 90 Cb 0.00 -3.01 -0.05 0.00 -1.09 0.00 0.00 33.01 28.86 2awt s GLN 90 CO 0.00 -0.42 0.10 0.95 -1.32 0.00 0.00 175.29 174.60 2awt s THR 91 N 1.32 0.75 -0.51 3.63 -4.23 -1.26 -4.93 115.64 110.40 2awt s THR 91 Ca -0.00 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 2awt s THR 91 Cb -0.17 -2.62 0.66 0.00 1.34 0.00 0.00 72.50 71.71 2awt s THR 91 CO -0.04 0.00 1.51 0.61 -0.54 0.00 0.00 174.62 176.16 2awt n GLY 92 N -0.64 2.65 0.00 3.99 0.00 -1.26 -4.92 105.19 105.01 2awt n GLY 92 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.58 1.44 1.57 -0.02 0.00 -1.26 -5.03 105.19 102.48 2awt n GLY 93 Ca 0.22 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.19 2awt n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2awt n VAL 94 N 0.00 2.54 -0.05 1.61 0.24 -1.26 -5.24 118.33 116.17 2awt n VAL 94 Ca 0.00 -3.68 0.00 0.00 -2.04 0.00 0.00 64.34 58.62 2awt n VAL 94 Cb 0.00 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 2awt n VAL 94 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47