#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aid s GLN 2 N 0.00 4.18 -0.21 0.54 0.74 -1.26 -5.06 119.66 118.59 1aid s GLN 2 Ca 0.00 0.18 -0.01 0.00 0.05 0.00 0.00 55.36 55.58 1aid s GLN 2 Cb 0.00 -3.52 0.02 0.00 1.10 0.00 0.00 33.01 30.60 1aid s GLN 2 CO 0.00 -0.00 -0.12 0.42 -0.55 0.00 0.00 175.29 175.04 1aid s ILE 3 N 1.19 2.62 0.76 -2.34 1.01 -1.26 -5.12 121.20 118.07 1aid s ILE 3 Ca 0.19 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 1aid s ILE 3 Cb -0.15 -2.21 0.06 0.00 0.01 0.00 0.00 42.46 40.18 1aid s ILE 3 CO 0.08 0.40 1.11 0.42 0.00 0.00 0.00 174.94 176.95 1aid s THR 4 N 1.34 2.31 -0.17 2.92 -4.23 -1.26 -5.04 115.64 111.51 1aid s THR 4 Ca 0.03 -0.03 0.17 0.00 -1.18 0.00 0.00 61.69 60.68 1aid s THR 4 Cb -0.14 -3.07 0.43 0.00 1.34 0.00 0.00 72.50 71.06 1aid s THR 4 CO -0.08 -0.09 1.31 0.18 -0.54 0.00 0.00 174.62 175.41 1aid n LEU 5 N -3.14 3.27 0.02 4.79 4.77 -1.26 -4.57 117.00 120.89 1aid n LEU 5 Ca 0.08 -3.16 -0.00 0.00 -0.03 0.00 0.00 56.01 52.90 1aid n LEU 5 Cb 0.60 -0.51 0.29 0.00 -2.33 0.00 0.00 43.42 41.47 1aid n LEU 5 CO 0.55 0.77 0.88 -0.50 -1.33 0.00 0.00 177.39 177.77 1aid h TRP 6 N 1.00 0.49 -2.60 -1.77 4.06 -2.06 -3.43 115.95 111.65 1aid h TRP 6 Ca 0.02 -0.06 -0.59 0.00 2.06 0.00 0.00 58.89 60.31 1aid h TRP 6 Cb 1.28 -0.14 -0.12 0.00 -1.00 0.00 0.00 29.16 29.18 1aid h TRP 6 CO 0.37 0.54 -0.69 -0.65 -3.56 0.00 0.00 178.44 174.45 1aid s GLN 7 N -4.82 2.15 0.16 0.49 1.11 -1.26 -5.09 119.66 112.39 1aid s GLN 7 Ca -0.07 -1.36 -0.34 0.00 0.01 0.00 0.00 55.36 53.60 1aid s GLN 7 Cb 0.15 -2.14 -0.14 0.00 -1.01 0.00 0.00 33.01 29.86 1aid s GLN 7 CO 0.77 0.40 1.48 0.54 0.01 0.00 0.00 175.29 178.49 1aid n ARG 8 N -0.42 1.88 -2.06 2.91 1.74 -1.26 -4.85 116.66 114.60 1aid n ARG 8 Ca -0.08 0.68 -0.37 0.00 -0.77 0.00 0.00 57.85 57.30 1aid n ARG 8 Cb 0.57 -2.39 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 1aid n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1aid n PRO 9 N 2.95 2.31 -3.40 5.56 -0.04 -1.26 -4.95 135.00 136.17 1aid n PRO 9 Ca 0.16 -2.68 -0.38 0.00 -0.04 0.00 0.00 63.50 60.57 1aid n PRO 9 Cb 0.27 -3.47 -0.06 0.00 -0.04 0.00 0.00 33.50 30.20 1aid n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1aid s LEU 10 N 6.01 4.34 0.40 1.53 1.43 -1.26 -1.38 118.68 129.75 1aid s LEU 10 Ca 0.59 0.84 0.04 0.00 -1.03 0.00 0.00 54.13 54.57 1aid s LEU 10 Cb 0.05 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1aid s LEU 10 CO 0.09 0.12 0.12 0.68 0.23 0.00 0.00 176.35 177.59 1aid s VAL 11 N 0.02 0.66 -0.13 -1.59 -7.23 0.48 -4.92 120.40 107.69 1aid s VAL 11 Ca 0.24 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1aid s VAL 11 Cb -0.15 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1aid s VAL 11 CO 0.11 0.00 0.11 -0.89 -0.31 0.00 0.00 175.10 174.11 1aid s THR 12 N -3.23 5.22 -0.07 5.32 2.01 -1.26 -0.93 115.64 122.70 1aid s THR 12 Ca 0.25 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.41 1aid s THR 12 Cb 0.03 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 1aid s THR 12 CO 0.15 0.58 -0.24 0.27 -0.69 0.00 0.00 174.62 174.68 1aid s ILE 13 N -0.67 2.02 -0.28 1.82 -4.36 0.09 -2.18 121.20 117.64 1aid s ILE 13 Ca 0.13 -1.04 -0.11 0.00 -0.26 0.00 0.00 60.65 59.37 1aid s ILE 13 Cb -0.12 -1.72 -0.05 0.00 1.25 0.00 0.00 42.46 41.82 1aid s ILE 13 CO 0.02 0.56 0.19 -0.60 0.24 0.00 0.00 174.94 175.35 1aid s ARG 14 N -0.02 3.92 -0.03 0.37 3.52 -0.67 -0.75 118.95 125.29 1aid s ARG 14 Ca -0.08 -0.34 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 1aid s ARG 14 Cb -0.15 -3.65 0.01 0.00 -1.56 0.00 0.00 34.95 29.60 1aid s ARG 14 CO 0.05 -0.19 0.08 -1.50 -0.81 0.00 0.00 175.30 172.93 1aid s ILE 15 N 1.75 -0.00 -1.56 4.11 2.07 -0.54 -1.63 121.20 125.40 1aid s ILE 15 Ca 0.07 0.01 -0.15 0.00 -1.41 0.00 0.00 60.65 59.17 1aid s ILE 15 Cb -0.16 -0.12 0.11 0.00 0.13 0.00 0.00 42.46 42.42 1aid s ILE 15 CO 0.11 0.00 0.85 0.61 -1.91 0.00 0.00 174.94 174.60 1aid n GLY 16 N 3.09 -0.48 2.34 1.50 0.00 -1.26 -0.86 105.19 109.52 1aid n GLY 16 Ca -0.13 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 1aid n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aid n GLY 17 N -1.52 -0.03 3.19 -0.02 0.00 -1.26 -5.01 105.19 100.55 1aid n GLY 17 Ca 0.05 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1aid n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aid s GLN 18 N -4.63 1.04 -0.38 1.61 -1.52 -0.04 -5.11 119.66 110.63 1aid s GLN 18 Ca 0.00 -0.90 -0.10 0.00 -1.95 0.00 0.00 55.36 52.41 1aid s GLN 18 Cb 0.00 -1.11 0.04 0.00 -0.22 0.00 0.00 33.01 31.72 1aid s GLN 18 CO 0.00 0.27 0.21 -0.51 -0.25 0.00 0.00 175.29 175.01 1aid s LEU 19 N -1.39 4.80 0.38 2.90 2.01 -1.26 -1.46 118.68 124.65 1aid s LEU 19 Ca 0.03 -1.15 0.08 0.00 0.01 0.00 0.00 54.13 53.10 1aid s LEU 19 Cb -0.09 -2.00 -0.07 0.00 0.01 0.00 0.00 46.19 44.05 1aid s LEU 19 CO 0.02 -0.42 -0.00 -0.54 1.01 0.00 0.00 176.35 176.42 1aid s LYS 20 N 1.50 1.97 -0.18 1.70 1.02 0.08 -4.95 119.74 120.88 1aid s LYS 20 Ca 0.02 -1.95 -0.08 0.00 0.02 0.00 0.00 55.97 53.97 1aid s LYS 20 Cb -0.20 -1.76 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1aid s LYS 20 CO 0.05 0.04 0.07 -2.00 -0.92 0.00 0.00 175.35 172.59 1aid s GLU 21 N -3.70 3.98 0.03 1.68 2.12 -1.26 -0.73 118.70 120.82 1aid s GLU 21 Ca 0.35 -0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.36 1aid s GLU 21 Cb 0.05 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 1aid s GLU 21 CO 0.18 0.30 -0.03 0.00 -0.54 0.00 0.00 175.26 175.17 1aid s ALA 22 N 0.30 0.31 -0.18 6.30 0.00 -0.11 -4.36 121.76 124.02 1aid s ALA 22 Ca 0.04 -0.90 -0.21 0.00 0.00 0.00 0.00 51.96 50.89 1aid s ALA 22 Cb -0.12 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1aid s ALA 22 CO -0.00 -0.26 0.65 -1.17 0.00 0.00 0.00 175.76 174.98 1aid s LEU 23 N -2.18 4.16 -0.38 0.00 2.96 0.14 -0.38 118.68 122.99 1aid s LEU 23 Ca -0.05 0.90 -0.29 0.00 -0.22 0.00 0.00 54.13 54.47 1aid s LEU 23 Cb -0.01 -2.94 0.02 0.00 0.50 0.00 0.00 46.19 43.76 1aid s LEU 23 CO -0.05 -0.27 1.16 -0.76 -1.32 0.00 0.00 176.35 175.11 1aid s LEU 24 N 1.82 3.79 -0.30 -0.68 1.43 -0.48 -0.93 118.68 123.34 1aid s LEU 24 Ca 0.30 0.84 0.03 0.00 -1.03 0.00 0.00 54.13 54.27 1aid s LEU 24 Cb -0.16 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.60 1aid s LEU 24 CO 0.11 -1.09 -0.00 -0.62 0.23 0.00 0.00 176.35 174.98 1aid s ASP 25 N 2.29 4.43 0.32 2.29 -1.08 -0.60 -4.81 116.67 119.51 1aid s ASP 25 Ca 0.49 -1.73 0.26 0.00 -0.52 0.00 0.00 52.55 51.05 1aid s ASP 25 Cb -0.11 -1.43 1.08 0.00 -1.46 0.00 0.00 42.92 41.00 1aid s ASP 25 CO 0.24 -0.31 1.77 0.71 0.52 0.00 0.00 175.17 178.10 1aid h THR 26 N 6.65 0.00 -0.28 1.71 1.35 -1.94 -2.36 112.91 118.03 1aid h THR 26 Ca -0.11 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1aid h THR 26 Cb 1.03 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1aid h THR 26 CO 0.48 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1aid n GLY 27 N -0.06 0.61 3.51 5.82 0.00 -1.26 -4.83 105.19 108.98 1aid n GLY 27 Ca 0.02 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1aid n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aid s ALA 28 N -1.63 3.00 0.13 4.61 0.00 -0.89 -4.99 121.76 121.98 1aid s ALA 28 Ca 0.30 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1aid s ALA 28 Cb 0.16 -1.51 -0.14 0.00 0.00 0.00 0.00 23.12 21.63 1aid s ALA 28 CO 0.23 0.27 1.28 -0.44 0.00 0.00 0.00 175.76 177.10 1aid h ASP 29 N 6.48 0.28 -3.15 0.00 3.32 -1.88 0.82 116.42 122.29 1aid h ASP 29 Ca -0.33 -0.26 -0.62 0.00 0.02 0.00 0.00 57.03 55.83 1aid h ASP 29 Cb 1.19 -0.09 -0.18 0.00 0.22 0.00 0.00 39.33 40.47 1aid h ASP 29 CO 0.61 1.13 -0.81 -1.81 -1.72 0.00 0.00 179.24 176.64 1aid s ASP 30 N -6.97 3.30 -0.08 6.45 1.01 -1.26 -3.43 116.67 115.69 1aid s ASP 30 Ca -0.03 -0.89 -0.16 0.00 0.71 0.00 0.00 52.55 52.19 1aid s ASP 30 Cb 0.09 -0.24 -0.05 0.00 1.01 0.00 0.00 42.92 43.73 1aid s ASP 30 CO 0.85 0.08 0.40 -0.89 0.21 0.00 0.00 175.17 175.82 1aid s THR 31 N -1.85 5.15 -0.10 -1.27 2.01 -1.26 -3.66 115.64 114.67 1aid s THR 31 Ca 0.21 0.80 -0.00 0.00 0.31 0.00 0.00 61.69 63.01 1aid s THR 31 Cb -0.07 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1aid s THR 31 CO 0.10 0.45 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 1aid s VAL 32 N -0.16 0.89 0.09 3.82 1.01 -0.40 -1.25 120.40 124.40 1aid s VAL 32 Ca 0.23 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1aid s VAL 32 Cb -0.15 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1aid s VAL 32 CO 0.10 0.34 -0.19 -0.76 0.00 0.00 0.00 175.10 174.59 1aid s LEU 33 N 1.59 2.29 0.75 3.92 1.43 -0.17 -0.29 118.68 128.19 1aid s LEU 33 Ca 0.02 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.30 1aid s LEU 33 Cb -0.13 -0.79 0.05 0.00 0.03 0.00 0.00 46.19 45.35 1aid s LEU 33 CO -0.06 0.02 1.23 -1.83 0.23 0.00 0.00 176.35 175.95 1aid s GLU 34 N -1.86 1.99 0.29 1.70 -1.05 -1.26 -1.75 118.70 116.76 1aid s GLU 34 Ca 0.04 1.84 -0.29 0.00 -0.15 0.00 0.00 54.97 56.41 1aid s GLU 34 Cb -0.10 -1.81 -0.13 0.00 -0.44 0.00 0.00 34.13 31.65 1aid s GLU 34 CO 0.04 -1.97 1.29 -1.91 0.95 0.00 0.00 175.26 173.65 1aid n GLU 35 N -2.80 1.93 -3.61 -4.83 4.07 -1.14 -4.54 120.64 109.72 1aid n GLU 35 Ca 0.14 0.68 -0.02 0.00 -0.06 0.00 0.00 57.16 57.90 1aid n GLU 35 Cb 0.50 -2.26 -0.02 0.00 -0.06 0.00 0.00 31.44 29.61 1aid n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1aid s MET 36 N -1.21 0.20 -0.02 5.31 0.23 -1.26 -5.01 119.30 117.55 1aid s MET 36 Ca 0.61 -0.09 0.03 0.00 -1.03 0.00 0.00 55.69 55.22 1aid s MET 36 Cb -0.63 0.09 -0.03 0.00 -1.53 0.00 0.00 34.83 32.72 1aid s MET 36 CO 0.57 -0.09 -0.08 1.21 -2.03 0.00 0.00 175.02 174.59 1aid s ASN 37 N -2.30 4.51 0.39 -1.18 3.84 -1.26 -4.95 114.94 113.99 1aid s ASN 37 Ca 0.11 -0.13 0.08 0.00 0.21 0.00 0.00 52.86 53.13 1aid s ASN 37 Cb 0.00 -1.05 -0.05 0.00 -0.55 0.00 0.00 41.25 39.61 1aid s ASN 37 CO -0.04 0.31 0.13 -0.76 -2.79 0.00 0.00 177.10 173.95 1aid s LEU 38 N -1.17 3.09 -0.10 3.21 1.43 -1.26 -5.03 118.68 118.85 1aid s LEU 38 Ca 0.15 -1.04 -0.29 0.00 -1.03 0.00 0.00 54.13 51.92 1aid s LEU 38 Cb -0.11 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 1aid s LEU 38 CO 0.05 -0.44 1.80 -2.16 0.23 0.00 0.00 176.35 175.83 1aid s PRO 39 N -3.84 3.92 0.00 1.29 0.04 -1.26 -4.92 135.00 130.22 1aid s PRO 39 Ca 0.39 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1aid s PRO 39 Cb 0.03 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1aid s PRO 39 CO 0.22 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1aid n GLY 40 N 4.61 2.28 3.85 0.56 0.00 -1.26 -4.89 105.19 110.34 1aid n GLY 40 Ca 0.20 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 1aid n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aid s LYS 41 N -1.63 3.38 0.03 1.61 0.00 -1.26 -5.08 119.74 116.80 1aid s LYS 41 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 55.97 56.84 1aid s LYS 41 Cb 0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 37.83 35.76 1aid s LYS 41 CO 0.00 -0.74 -0.09 1.67 0.00 0.00 0.00 175.35 176.19 1aid s TRP 42 N -3.09 0.77 -0.16 1.78 1.48 -1.26 -4.58 118.94 113.89 1aid s TRP 42 Ca 0.56 -0.38 -0.09 0.00 -1.06 0.00 0.00 56.10 55.13 1aid s TRP 42 Cb -0.12 -0.46 -0.05 0.00 -1.16 0.00 0.00 33.47 31.68 1aid s TRP 42 CO 0.53 -0.03 0.15 0.15 -4.06 0.00 0.00 176.95 173.69 1aid s LYS 43 N -1.21 3.87 0.44 3.25 1.02 -0.84 -4.86 119.74 121.41 1aid s LYS 43 Ca -0.05 -0.14 -0.25 0.00 0.02 0.00 0.00 55.97 55.55 1aid s LYS 43 Cb -0.08 -3.32 -0.08 0.00 -0.52 0.00 0.00 37.83 33.83 1aid s LYS 43 CO 0.01 0.51 1.41 -2.14 -0.92 0.00 0.00 175.35 174.21 1aid s PRO 44 N -0.27 3.75 -0.02 -1.68 0.02 -1.26 -0.44 135.00 135.09 1aid s PRO 44 Ca 0.12 2.38 -0.06 0.00 0.02 0.00 0.00 61.00 63.46 1aid s PRO 44 Cb -0.12 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.72 1aid s PRO 44 CO 0.01 -0.75 0.13 0.21 -0.33 0.00 0.00 177.00 176.27 1aid s LYS 45 N -2.40 0.35 -0.27 5.54 2.20 -0.40 -4.84 119.74 119.92 1aid s LYS 45 Ca 0.60 -0.17 0.02 0.00 -0.36 0.00 0.00 55.97 56.06 1aid s LYS 45 Cb -0.43 0.15 0.07 0.00 -1.51 0.00 0.00 37.83 36.11 1aid s LYS 45 CO 0.55 -0.07 -0.05 1.41 -0.36 0.00 0.00 175.35 176.83 1aid s MET 46 N -0.81 1.78 0.13 4.03 -2.45 -1.26 -0.63 119.30 120.09 1aid s MET 46 Ca -0.09 -1.27 0.01 0.00 -1.25 0.00 0.00 55.69 53.08 1aid s MET 46 Cb -0.05 -2.77 -0.04 0.00 1.25 0.00 0.00 34.83 33.22 1aid s MET 46 CO 0.01 -0.66 0.29 0.96 1.05 0.00 0.00 175.02 176.66 1aid s ILE 47 N 1.22 5.31 0.28 10.11 -4.36 0.77 -4.84 121.20 129.70 1aid s ILE 47 Ca -0.03 -0.49 0.08 0.00 -0.26 0.00 0.00 60.65 59.95 1aid s ILE 47 Cb -0.19 -3.70 -0.04 0.00 1.25 0.00 0.00 42.46 39.78 1aid s ILE 47 CO -0.07 -0.02 0.12 -0.83 0.24 0.00 0.00 174.94 174.38 1aid s GLY 48 N -2.94 1.65 0.00 6.27 0.00 -1.26 -0.27 107.32 110.76 1aid s GLY 48 Ca 0.36 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1aid s GLY 48 CO 0.28 -1.63 0.00 0.61 0.00 0.00 0.00 173.10 172.36 1aid n GLY 49 N -1.09 2.74 0.29 0.20 0.00 -0.22 -5.00 105.19 102.10 1aid n GLY 49 Ca -0.06 -1.14 0.09 0.00 0.00 0.00 0.00 46.02 44.91 1aid n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1aid h ILE 50 N 0.81 0.48 -0.00 -0.61 5.03 -2.03 -2.99 117.51 118.19 1aid h ILE 50 Ca 0.00 -0.10 -0.10 0.00 -0.12 0.00 0.00 64.86 64.53 1aid h ILE 50 Cb 0.00 0.15 -0.22 0.00 -3.03 0.00 0.00 36.82 33.71 1aid h ILE 50 CO 0.00 0.06 -0.81 0.61 -0.68 0.00 0.00 178.15 177.32 1aid n GLY 51 N -1.35 2.77 0.00 5.37 0.00 -1.26 -5.10 105.19 105.62 1aid n GLY 51 Ca 0.17 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1aid n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aid n GLY 52 N -0.19 -0.69 3.27 -0.02 0.00 -1.13 -5.15 105.19 101.28 1aid n GLY 52 Ca 0.12 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 1aid n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aid s PHE 53 N -2.98 1.58 -0.04 1.61 0.40 -1.26 -1.05 117.98 116.23 1aid s PHE 53 Ca 0.00 -0.50 0.04 0.00 -0.60 0.00 0.00 56.93 55.87 1aid s PHE 53 Cb 0.00 -0.82 -0.00 0.00 0.51 0.00 0.00 43.02 42.71 1aid s PHE 53 CO 0.00 0.20 -0.15 0.42 0.70 0.00 0.00 175.22 176.40 1aid s ILE 54 N -1.88 1.25 -0.07 0.64 1.01 0.62 -4.95 121.20 117.82 1aid s ILE 54 Ca 0.10 -0.61 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 1aid s ILE 54 Cb -0.06 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1aid s ILE 54 CO 0.04 0.37 0.55 -0.75 0.00 0.00 0.00 174.94 175.15 1aid s LYS 55 N 0.14 4.33 0.21 2.79 2.20 -1.26 -0.16 119.74 127.99 1aid s LYS 55 Ca -0.05 0.60 0.01 0.00 -0.36 0.00 0.00 55.97 56.17 1aid s LYS 55 Cb -0.11 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1aid s LYS 55 CO 0.02 0.22 0.06 0.14 -0.36 0.00 0.00 175.35 175.43 1aid s VAL 56 N 0.37 0.50 -0.05 4.02 -7.23 0.20 -4.67 120.40 113.54 1aid s VAL 56 Ca 0.29 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1aid s VAL 56 Cb -0.16 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1aid s VAL 56 CO 0.14 -0.21 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.45 1aid s ARG 57 N -4.01 2.53 -0.27 4.82 0.52 -0.36 -1.28 118.95 120.91 1aid s ARG 57 Ca 0.32 -0.68 -0.09 0.00 -0.52 0.00 0.00 55.73 54.75 1aid s ARG 57 Cb 0.07 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 1aid s ARG 57 CO 0.09 0.63 0.13 -1.14 0.02 0.00 0.00 175.30 175.03 1aid s GLN 58 N -0.78 3.78 -0.03 3.54 0.74 0.41 -0.43 119.66 126.89 1aid s GLN 58 Ca 0.12 -0.41 0.00 0.00 0.05 0.00 0.00 55.36 55.12 1aid s GLN 58 Cb -0.11 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 1aid s GLN 58 CO 0.01 -0.20 0.01 0.71 -0.55 0.00 0.00 175.29 175.27 1aid s TYR 59 N 1.69 3.13 -0.15 1.67 1.51 -0.25 -1.99 117.35 122.95 1aid s TYR 59 Ca 0.07 0.13 0.09 0.00 -1.01 0.00 0.00 57.07 56.35 1aid s TYR 59 Cb -0.16 -1.72 -0.16 0.00 -0.11 0.00 0.00 41.96 39.82 1aid s TYR 59 CO 0.07 0.47 -0.01 -0.25 -1.11 0.00 0.00 175.55 174.73 1aid n ASP 60 N 1.61 1.86 -3.07 2.29 8.00 -1.26 -1.40 116.55 124.57 1aid n ASP 60 Ca -0.16 -0.03 -0.25 0.00 0.71 0.00 0.00 54.79 55.07 1aid n ASP 60 Cb 0.53 0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 42.10 1aid n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aid n GLN 61 N -2.67 2.52 -3.09 -1.24 1.13 -1.26 -3.11 117.38 109.67 1aid n GLN 61 Ca -0.25 -4.43 -0.39 0.00 -1.94 0.00 0.00 57.00 49.98 1aid n GLN 61 Cb 0.92 -2.07 -0.05 0.00 0.11 0.00 0.00 30.24 29.15 1aid n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1aid s ILE 62 N -3.58 4.95 0.10 5.09 -1.09 -0.47 -4.77 121.20 121.43 1aid s ILE 62 Ca 0.45 1.40 -0.30 0.00 -2.23 0.00 0.00 60.65 59.97 1aid s ILE 62 Cb 0.27 -4.01 -0.06 0.00 -1.58 0.00 0.00 42.46 37.08 1aid s ILE 62 CO -0.11 0.32 1.12 -2.84 -1.23 0.00 0.00 174.94 172.20 1aid s PRO 63 N 0.35 4.53 0.04 2.79 0.02 -1.26 -1.55 135.00 139.91 1aid s PRO 63 Ca 0.35 1.68 0.03 0.00 0.02 0.00 0.00 61.00 63.08 1aid s PRO 63 Cb -0.18 -3.34 -0.02 0.00 0.02 0.00 0.00 34.50 30.98 1aid s PRO 63 CO 0.18 -0.07 -0.09 0.08 -0.33 0.00 0.00 177.00 176.77 1aid s VAL 64 N 0.49 0.68 -0.33 3.83 1.01 -0.10 -4.58 120.40 121.40 1aid s VAL 64 Ca 0.53 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1aid s VAL 64 Cb -0.28 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.51 1aid s VAL 64 CO 0.31 -0.22 0.08 -0.70 0.00 0.00 0.00 175.10 174.56 1aid s GLU 65 N -1.30 1.20 -0.35 2.72 2.12 -0.65 -0.73 118.70 121.71 1aid s GLU 65 Ca -0.05 -1.60 -0.20 0.00 0.36 0.00 0.00 54.97 53.48 1aid s GLU 65 Cb -0.08 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.57 1aid s GLU 65 CO 0.01 -0.97 0.60 0.42 -0.54 0.00 0.00 175.26 174.78 1aid s ILE 66 N 1.13 4.93 -1.36 -3.70 1.01 0.14 -1.68 121.20 121.67 1aid s ILE 66 Ca 0.11 0.53 -0.14 0.00 0.00 0.00 0.00 60.65 61.15 1aid s ILE 66 Cb -0.19 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.25 1aid s ILE 66 CO -0.14 -0.28 0.41 0.00 0.00 0.00 0.00 174.94 174.93 1aid n GLY 68 N -2.17 2.37 3.68 0.00 0.00 -1.26 -4.97 105.19 102.84 1aid n GLY 68 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1aid n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aid s HIS 69 N -1.36 3.46 0.22 1.61 4.02 0.38 -4.98 115.29 118.63 1aid s HIS 69 Ca 0.00 1.27 -0.30 0.00 1.02 0.00 0.00 55.06 57.05 1aid s HIS 69 Cb 0.00 -2.98 -0.08 0.00 -1.02 0.00 0.00 32.58 28.49 1aid s HIS 69 CO 0.00 -0.17 0.94 0.15 1.02 0.00 0.00 174.74 176.68 1aid s LYS 70 N 1.87 4.83 0.02 1.40 1.02 -1.26 0.24 119.74 127.86 1aid s LYS 70 Ca 0.39 1.48 -0.10 0.00 0.02 0.00 0.00 55.97 57.76 1aid s LYS 70 Cb -0.17 -3.30 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1aid s LYS 70 CO 0.14 0.47 0.20 0.00 -0.92 0.00 0.00 175.35 175.25 1aid s ALA 71 N -0.99 -0.44 -0.05 5.17 0.00 0.09 -4.80 121.76 120.75 1aid s ALA 71 Ca 0.42 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1aid s ALA 71 Cb -0.26 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1aid s ALA 71 CO 0.32 -0.31 -0.13 0.42 0.00 0.00 0.00 175.76 176.06 1aid s ILE 72 N -2.05 1.12 -0.00 0.00 1.01 -1.26 -0.93 121.20 119.09 1aid s ILE 72 Ca -0.09 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 1aid s ILE 72 Cb -0.03 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.49 1aid s ILE 72 CO -0.01 0.34 0.69 0.61 0.00 0.00 0.00 174.94 176.57 1aid n GLY 73 N 3.48 0.46 3.75 6.18 0.00 -0.59 -4.93 105.19 113.54 1aid n GLY 73 Ca -0.20 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 1aid n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aid s THR 74 N -2.10 3.54 -0.02 2.61 2.01 -1.18 -1.37 115.64 119.13 1aid s THR 74 Ca 0.16 1.43 0.05 0.00 0.31 0.00 0.00 61.69 63.64 1aid s THR 74 Cb -0.01 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1aid s THR 74 CO -0.00 0.29 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.35 1aid s VAL 75 N -0.65 1.38 -0.11 3.82 1.01 -0.50 -4.50 120.40 120.85 1aid s VAL 75 Ca 0.48 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1aid s VAL 75 Cb -0.32 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1aid s VAL 75 CO 0.39 0.39 -0.02 -0.76 0.00 0.00 0.00 175.10 175.10 1aid s LEU 76 N -0.38 3.40 -0.04 3.92 1.43 -0.38 -1.09 118.68 125.54 1aid s LEU 76 Ca 0.06 0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 1aid s LEU 76 Cb -0.07 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1aid s LEU 76 CO -0.00 0.29 -0.24 -0.69 0.23 0.00 0.00 176.35 175.93 1aid s VAL 77 N -0.37 2.16 -2.20 -1.59 1.01 0.43 -1.00 120.40 118.84 1aid s VAL 77 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1aid s VAL 77 Cb -0.12 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1aid s VAL 77 CO 0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1aid n GLY 78 N 2.70 -1.20 2.37 4.51 0.00 -0.71 -1.22 105.19 111.64 1aid n GLY 78 Ca -0.17 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1aid n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aid n PRO 79 N 0.00 2.85 -3.20 1.61 -0.04 -1.26 -2.86 135.00 132.10 1aid n PRO 79 Ca 0.00 -1.73 -0.39 0.00 -0.04 0.00 0.00 63.50 61.34 1aid n PRO 79 Cb 0.00 -2.54 -0.06 0.00 -0.04 0.00 0.00 33.50 30.86 1aid n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1aid s THR 80 N 2.42 4.71 -1.62 0.52 -1.32 -1.26 -4.96 115.64 114.13 1aid s THR 80 Ca 0.58 1.33 0.09 0.00 -1.21 0.00 0.00 61.69 62.47 1aid s THR 80 Cb 0.17 -3.96 0.18 0.00 -1.51 0.00 0.00 72.50 67.39 1aid s THR 80 CO -0.04 0.51 1.09 -0.81 -2.21 0.00 0.00 174.62 173.16 1aid n PRO 81 N 1.94 0.17 -3.57 7.08 -0.04 -1.26 -4.67 135.00 134.66 1aid n PRO 81 Ca -0.08 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 1aid n PRO 81 Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 1aid n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1aid s VAL 82 N -2.38 0.00 0.06 0.52 0.11 -1.26 -5.13 120.40 112.32 1aid s VAL 82 Ca 0.10 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.85 1aid s VAL 82 Cb 0.06 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 1aid s VAL 82 CO 0.12 0.00 1.02 0.20 -3.33 0.00 0.00 175.10 173.11 1aid s ASN 83 N -0.79 7.36 -0.11 3.54 0.01 -1.26 -4.74 114.94 118.95 1aid s ASN 83 Ca -0.04 1.80 0.00 0.00 -0.71 0.00 0.00 52.86 53.92 1aid s ASN 83 Cb -0.01 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.09 1aid s ASN 83 CO 0.03 -0.22 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.67 1aid s ILE 84 N 0.55 1.17 -0.29 0.60 1.01 0.60 -0.69 121.20 124.15 1aid s ILE 84 Ca 0.51 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.55 1aid s ILE 84 Cb -0.24 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 1aid s ILE 84 CO 0.30 0.38 0.63 -0.63 0.00 0.00 0.00 174.94 175.62 1aid s ILE 85 N 1.38 4.95 0.77 2.92 -1.09 -0.10 -1.27 121.20 128.76 1aid s ILE 85 Ca -0.00 0.95 -0.04 0.00 -2.23 0.00 0.00 60.65 59.33 1aid s ILE 85 Cb -0.13 -3.98 0.14 0.00 -1.58 0.00 0.00 42.46 36.91 1aid s ILE 85 CO -0.05 -0.09 1.06 -0.83 -1.23 0.00 0.00 174.94 173.80 1aid s GLY 86 N 1.58 1.76 0.58 6.18 0.00 -1.24 -1.56 107.32 114.63 1aid s GLY 86 Ca 0.26 -1.61 0.34 0.00 0.00 0.00 0.00 44.72 43.70 1aid s GLY 86 CO 0.11 -1.01 2.15 3.21 0.00 0.00 0.00 173.10 177.55 1aid h ARG 87 N -0.74 0.00 -0.13 2.90 3.08 -0.92 -1.83 114.38 116.75 1aid h ARG 87 Ca -0.38 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 1aid h ARG 87 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1aid h ARG 87 CO 0.40 0.05 -0.09 -2.95 -1.07 0.00 0.00 179.97 176.31 1aid h ASN 88 N 0.00 0.17 0.31 7.04 -1.07 -1.82 -1.01 115.58 119.21 1aid h ASN 88 Ca -0.00 -0.03 -0.18 0.00 0.07 0.00 0.00 56.30 56.16 1aid h ASN 88 Cb 0.27 -0.05 -0.03 0.00 -2.07 0.00 0.00 38.32 36.44 1aid h ASN 88 CO 0.01 0.29 -1.86 0.18 0.07 0.00 0.00 177.43 176.12 1aid n LEU 89 N -4.33 0.37 -0.08 6.14 4.77 -0.73 -4.13 117.00 119.01 1aid n LEU 89 Ca -0.01 0.16 -0.05 0.00 -0.03 0.00 0.00 56.01 56.08 1aid n LEU 89 Cb 0.22 0.18 0.15 0.00 -2.33 0.00 0.00 43.42 41.64 1aid n LEU 89 CO 0.37 0.21 0.80 -0.07 -1.33 0.00 0.00 177.39 177.37 1aid h LEU 90 N 0.00 0.71 -0.90 2.23 3.38 -0.98 -2.58 115.31 117.18 1aid h LEU 90 Ca -0.24 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 1aid h LEU 90 Cb 1.62 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 1aid h LEU 90 CO 0.03 0.85 0.22 0.71 0.09 0.00 0.00 178.44 180.33 1aid h THR 91 N 0.66 1.25 -0.67 0.22 1.35 -1.38 -1.72 112.91 112.61 1aid h THR 91 Ca 0.11 -0.84 -0.03 0.00 -0.55 0.00 0.00 66.41 65.11 1aid h THR 91 Cb 0.57 0.50 -0.03 0.00 -1.73 0.00 0.00 68.15 67.45 1aid h THR 91 CO 0.04 0.33 0.29 1.56 -0.25 0.00 0.00 175.52 177.49 1aid h GLN 92 N 0.99 0.97 -0.21 4.72 1.08 -1.63 -1.41 115.11 119.62 1aid h GLN 92 Ca 0.22 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1aid h GLN 92 Cb 0.27 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1aid h GLN 92 CO -0.01 0.77 0.00 0.44 -0.95 0.00 0.00 178.83 179.08 1aid n ILE 93 N -4.32 0.28 -2.68 2.54 -5.35 -1.01 -4.93 119.36 103.89 1aid n ILE 93 Ca 0.06 -0.36 -0.11 0.00 -0.27 0.00 0.00 62.75 62.07 1aid n ILE 93 Cb 0.15 0.27 0.02 0.00 -1.74 0.00 0.00 39.64 38.34 1aid n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1aid n GLY 94 N 1.06 0.09 3.74 3.28 0.00 -0.53 -4.99 105.19 107.83 1aid n GLY 94 Ca 0.14 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1aid n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aid s THR 96 N -0.28 1.37 -0.05 0.00 -4.23 -1.26 -4.73 115.64 106.46 1aid s THR 96 Ca 0.45 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.85 1aid s THR 96 Cb -0.24 -1.80 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 1aid s THR 96 CO 0.30 -0.60 0.30 -0.76 -0.54 0.00 0.00 174.62 173.32 1aid s LEU 97 N -2.98 4.44 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.97 1aid s LEU 97 Ca 0.16 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 54.03 1aid s LEU 97 Cb -0.01 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1aid s LEU 97 CO 0.03 0.35 -0.04 0.20 0.23 0.00 0.00 176.35 177.13 1aid s ASN 98 N -1.03 0.67 0.00 2.29 0.01 -1.26 -5.29 114.94 110.33 1aid s ASN 98 Ca 0.20 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 1aid s ASN 98 Cb -0.15 -0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.26 1aid s ASN 98 CO 0.10 -0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.88