#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spk n SER 2 N 0.00 -0.07 -4.64 1.61 2.88 -1.26 -5.07 113.62 107.07 1spk n SER 2 Ca 0.00 0.46 -0.57 0.00 -1.33 0.00 0.00 58.87 57.43 1spk n SER 2 Cb 0.00 0.34 -0.07 0.00 -0.75 0.00 0.00 64.21 63.73 1spk n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1spk n SER 3 N -3.46 1.67 0.00 -3.46 7.64 -1.26 -4.89 113.62 109.86 1spk n SER 3 Ca 0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1spk n SER 3 Cb 0.00 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 1spk n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1spk n GLY 4 N 3.16 1.77 3.11 0.23 0.00 -1.26 -5.16 105.19 107.03 1spk n GLY 4 Ca 0.23 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 1spk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1spk s SER 5 N 0.00 -0.02 -0.23 1.61 1.04 -1.26 -5.02 113.70 109.81 1spk s SER 5 Ca 0.00 0.67 -0.03 0.00 0.48 0.00 0.00 55.95 57.06 1spk s SER 5 Cb 0.00 1.21 0.01 0.00 0.10 0.00 0.00 66.02 67.35 1spk s SER 5 CO 0.00 -0.26 0.07 -1.20 0.98 0.00 0.00 173.24 172.83 1spk n SER 6 N 5.38 -5.12 0.00 7.02 7.64 -1.26 -5.02 113.62 122.26 1spk n SER 6 Ca -0.06 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1spk n SER 6 Cb 0.50 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 1spk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1spk n GLY 7 N 0.87 -0.88 3.17 0.23 0.00 -1.26 -4.92 105.19 102.40 1spk n GLY 7 Ca -0.11 0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1spk n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1spk n GLN 8 N 0.00 -0.78 -4.92 1.61 3.00 -1.26 -4.13 117.38 110.90 1spk n GLN 8 Ca 0.00 -0.21 -0.31 0.00 -0.01 0.00 0.00 57.00 56.47 1spk n GLN 8 Cb 0.00 -1.40 -0.14 0.00 0.00 0.00 0.00 30.24 28.69 1spk n GLN 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1spk s LYS 9 N -2.82 1.98 0.12 -1.09 1.02 -1.26 -0.99 119.74 116.70 1spk s LYS 9 Ca 0.48 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.51 1spk s LYS 9 Cb -0.05 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1spk s LYS 9 CO 0.68 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.65 1spk s VAL 10 N -0.79 1.30 -0.07 3.17 -7.23 -0.87 -2.24 120.40 113.66 1spk s VAL 10 Ca 0.12 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 1spk s VAL 10 Cb -0.10 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1spk s VAL 10 CO 0.02 -0.43 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.44 1spk s LYS 11 N -2.70 2.24 0.05 4.82 2.20 0.25 -1.73 119.74 124.86 1spk s LYS 11 Ca 0.09 -0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 1spk s LYS 11 Cb -0.05 -1.81 -0.05 0.00 -1.51 0.00 0.00 37.83 34.42 1spk s LYS 11 CO 0.03 0.16 1.14 0.95 -0.36 0.00 0.00 175.35 177.27 1spk s THR 12 N 0.32 4.25 -0.77 3.43 -4.23 -0.98 -0.03 115.64 117.63 1spk s THR 12 Ca -0.12 1.63 0.22 0.00 -1.18 0.00 0.00 61.69 62.23 1spk s THR 12 Cb -0.15 -4.04 -0.18 0.00 1.34 0.00 0.00 72.50 69.46 1spk s THR 12 CO 0.05 0.13 0.94 2.30 -0.54 0.00 0.00 174.62 177.50 1spk n ILE 13 N 3.86 0.04 -3.84 2.99 -5.35 -1.06 -0.07 119.36 115.93 1spk n ILE 13 Ca 0.08 -0.13 -0.12 0.00 -0.27 0.00 0.00 62.75 62.31 1spk n ILE 13 Cb 0.48 0.56 -0.10 0.00 -1.74 0.00 0.00 39.64 38.84 1spk n ILE 13 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1spk s PHE 14 N -3.12 -0.04 0.42 4.28 0.08 -1.25 -4.88 117.98 113.46 1spk s PHE 14 Ca 0.05 0.06 -0.23 0.00 0.12 0.00 0.00 56.93 56.93 1spk s PHE 14 Cb 0.15 -0.00 -0.09 0.00 -0.57 0.00 0.00 43.02 42.51 1spk s PHE 14 CO 0.84 -0.26 1.05 -1.25 -0.10 0.00 0.00 175.22 175.50 1spk s PRO 15 N -1.04 4.08 -0.50 0.24 0.04 -1.26 -4.59 135.00 131.97 1spk s PRO 15 Ca -0.11 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.47 1spk s PRO 15 Cb -0.06 -2.45 0.20 0.00 0.04 0.00 0.00 34.50 32.23 1spk s PRO 15 CO 0.02 -0.21 0.78 1.58 0.04 0.00 0.00 177.00 179.21 1spk n HIS 16 N -0.26 -3.47 -2.03 0.56 -0.00 -1.25 -5.02 115.22 103.75 1spk n HIS 16 Ca 0.06 -1.31 -0.37 0.00 0.46 0.00 0.00 57.72 56.55 1spk n HIS 16 Cb 0.50 1.45 0.02 0.00 -0.12 0.00 0.00 29.99 31.84 1spk n HIS 16 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1spk s THR 17 N 0.86 2.62 -0.08 3.57 2.01 -1.26 -4.36 115.64 119.01 1spk s THR 17 Ca 0.29 0.46 -0.14 0.00 0.31 0.00 0.00 61.69 62.61 1spk s THR 17 Cb 0.03 -3.23 -0.11 0.00 0.01 0.00 0.00 72.50 69.21 1spk s THR 17 CO -0.07 -0.02 0.53 0.00 -0.69 0.00 0.00 174.62 174.37 1spk h ALA 18 N 1.67 -0.17 -2.35 7.40 0.00 -1.83 -3.47 119.26 120.50 1spk h ALA 18 Ca -0.50 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1spk h ALA 18 Cb 1.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1spk h ALA 18 CO 0.58 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1spk n GLY 19 N 1.11 -0.15 5.00 0.00 0.00 -1.26 -4.35 105.19 105.54 1spk n GLY 19 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1spk n GLY 19 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1spk n ASN 20 N -0.67 0.00 -4.72 1.61 5.15 -1.26 -4.90 115.26 110.46 1spk n ASN 20 Ca 0.00 0.00 -0.65 0.00 -0.60 0.00 0.00 54.58 53.33 1spk n ASN 20 Cb 0.28 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.44 1spk n ASN 20 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1spk n ASN 21 N 3.35 1.33 0.02 1.20 4.13 -1.26 -4.77 115.26 119.25 1spk n ASN 21 Ca 0.00 1.17 0.13 0.00 1.68 0.00 0.00 54.58 57.56 1spk n ASN 21 Cb 0.00 -0.93 0.49 0.00 -1.54 0.00 0.00 39.78 37.79 1spk n ASN 21 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1spk n LYS 22 N 4.04 0.06 -0.04 3.52 -0.00 -1.26 -3.63 118.16 120.84 1spk n LYS 22 Ca 0.29 0.04 -0.12 0.00 -0.00 0.00 0.00 58.31 58.52 1spk n LYS 22 Cb -0.01 -1.56 -0.07 0.00 -0.00 0.00 0.00 35.03 33.39 1spk n LYS 22 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1spk h THR 23 N 0.00 1.31 -3.70 0.58 1.35 -1.93 -3.44 112.91 107.08 1spk h THR 23 Ca 0.00 -1.06 -0.50 0.00 -0.55 0.00 0.00 66.41 64.31 1spk h THR 23 Cb 0.55 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1spk h THR 23 CO 0.00 0.30 0.11 -0.76 -0.25 0.00 0.00 175.52 174.93 1spk s LEU 24 N -9.32 3.84 -0.23 3.87 1.43 -1.24 0.78 118.68 117.81 1spk s LEU 24 Ca -0.14 1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 54.00 1spk s LEU 24 Cb 0.05 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 1spk s LEU 24 CO 0.72 -0.39 0.11 -0.22 0.23 0.00 0.00 176.35 176.79 1spk s LEU 25 N -3.83 3.80 -0.24 1.79 2.96 -1.11 -4.55 118.68 117.51 1spk s LEU 25 Ca 0.51 -0.01 -0.21 0.00 -0.22 0.00 0.00 54.13 54.21 1spk s LEU 25 Cb -0.10 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1spk s LEU 25 CO 0.31 0.06 0.63 -0.94 -1.32 0.00 0.00 176.35 175.09 1spk s SER 26 N 1.09 6.61 0.26 3.68 1.04 -1.26 -4.24 113.70 120.89 1spk s SER 26 Ca 0.05 0.75 -0.17 0.00 0.48 0.00 0.00 55.95 57.06 1spk s SER 26 Cb -0.14 -2.34 0.01 0.00 0.10 0.00 0.00 66.02 63.65 1spk s SER 26 CO 0.04 -0.35 0.59 0.72 0.98 0.00 0.00 173.24 175.23 1spk s PHE 27 N 2.36 0.08 0.19 5.02 -0.12 -1.26 -4.92 117.98 119.32 1spk s PHE 27 Ca 0.27 -0.49 0.06 0.00 -0.05 0.00 0.00 56.93 56.72 1spk s PHE 27 Cb -0.16 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1spk s PHE 27 CO 0.09 -1.11 0.10 0.00 -0.05 0.00 0.00 175.22 174.25 1spk s ALA 28 N -3.97 3.44 0.19 1.99 0.00 -1.26 -3.95 121.76 118.22 1spk s ALA 28 Ca 0.16 -1.32 -0.33 0.00 0.00 0.00 0.00 51.96 50.48 1spk s ALA 28 Cb -0.03 -1.21 -0.14 0.00 0.00 0.00 0.00 23.12 21.74 1spk s ALA 28 CO 0.08 0.44 1.52 0.94 0.00 0.00 0.00 175.76 178.74 1spk n GLN 29 N -0.46 2.14 0.00 0.00 7.27 -1.26 -1.40 117.38 123.67 1spk n GLN 29 Ca -0.08 0.77 0.00 0.00 0.07 0.00 0.00 57.00 57.75 1spk n GLN 29 Cb 0.56 -2.50 0.00 0.00 2.41 0.00 0.00 30.24 30.71 1spk n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1spk n GLY 30 N 2.92 2.60 3.38 1.69 0.00 0.90 -4.99 105.19 111.70 1spk n GLY 30 Ca 0.15 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1spk n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1spk n ASP 31 N 0.19 -2.09 -4.40 1.61 9.92 -0.49 -4.46 116.55 116.84 1spk n ASP 31 Ca 0.00 0.66 -0.33 0.00 -0.53 0.00 0.00 54.79 54.60 1spk n ASP 31 Cb 0.00 -1.06 -0.14 0.00 -0.64 0.00 0.00 41.12 39.28 1spk n ASP 31 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1spk s VAL 32 N -1.85 2.98 -0.00 2.53 1.01 -1.26 -2.31 120.40 121.49 1spk s VAL 32 Ca 0.63 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1spk s VAL 32 Cb -0.43 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1spk s VAL 32 CO 0.60 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 175.26 1spk s LEU 33 N -0.06 2.07 -0.21 3.92 1.43 -0.71 -3.30 118.68 121.83 1spk s LEU 33 Ca -0.03 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 1spk s LEU 33 Cb -0.14 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 1spk s LEU 33 CO 0.04 0.27 0.50 -0.89 0.23 0.00 0.00 176.35 176.49 1spk s THR 34 N -0.60 5.12 0.47 5.49 2.01 0.55 -2.06 115.64 126.62 1spk s THR 34 Ca 0.09 0.90 -0.22 0.00 0.31 0.00 0.00 61.69 62.78 1spk s THR 34 Cb -0.09 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.52 1spk s THR 34 CO -0.00 0.18 1.08 -0.76 -0.69 0.00 0.00 174.62 174.42 1spk s LEU 35 N 1.67 3.94 -0.02 4.42 1.02 -0.16 0.19 118.68 129.73 1spk s LEU 35 Ca 0.23 2.07 0.00 0.00 0.02 0.00 0.00 54.13 56.45 1spk s LEU 35 Cb -0.15 -4.41 -0.02 0.00 0.02 0.00 0.00 46.19 41.63 1spk s LEU 35 CO 0.09 -0.81 -0.02 0.18 0.02 0.00 0.00 176.35 175.81 1spk n LEU 36 N -0.70 2.98 -4.64 1.79 4.77 -1.24 -4.31 117.00 115.65 1spk n LEU 36 Ca 0.08 -0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.70 1spk n LEU 36 Cb 0.51 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1spk n LEU 36 CO 0.43 0.54 -0.31 0.27 -1.33 0.00 0.00 177.39 176.99 1spk s ILE 37 N -2.05 4.29 -0.67 -0.08 -4.36 -1.26 -4.87 121.20 112.19 1spk s ILE 37 Ca -0.03 -0.24 0.24 0.00 -0.26 0.00 0.00 60.65 60.36 1spk s ILE 37 Cb 0.01 -2.84 0.25 0.00 1.25 0.00 0.00 42.46 41.13 1spk s ILE 37 CO 0.05 0.56 1.74 -0.81 0.24 0.00 0.00 174.94 176.73 1spk n PRO 38 N 2.62 0.19 -2.80 0.37 -0.04 -1.26 -4.79 135.00 129.28 1spk n PRO 38 Ca -0.18 0.28 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1spk n PRO 38 Cb 0.53 -1.78 0.09 0.00 -0.04 0.00 0.00 33.50 32.30 1spk n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1spk s GLU 39 N -3.17 1.95 -0.00 0.54 8.01 -1.26 -5.12 118.70 119.64 1spk s GLU 39 Ca 0.08 -1.38 0.04 0.00 0.01 0.00 0.00 54.97 53.72 1spk s GLU 39 Cb 0.11 -2.48 -0.01 0.00 -4.31 0.00 0.00 34.13 27.44 1spk s GLU 39 CO 0.48 -1.19 -0.13 -1.83 0.01 0.00 0.00 175.26 172.60 1spk s GLU 40 N -4.92 1.02 -1.49 1.61 -1.05 -1.26 -4.68 118.70 107.92 1spk s GLU 40 Ca 0.64 -0.51 -0.11 0.00 -0.15 0.00 0.00 54.97 54.84 1spk s GLU 40 Cb -0.05 -0.99 -0.05 0.00 -0.44 0.00 0.00 34.13 32.59 1spk s GLU 40 CO 0.42 0.27 2.64 1.17 0.95 0.00 0.00 175.26 180.71 1spk n LYS 41 N 2.61 3.25 -3.12 -4.83 0.00 0.51 -4.43 118.16 112.14 1spk n LYS 41 Ca -0.15 -2.26 -0.05 0.00 0.00 0.00 0.00 58.31 55.86 1spk n LYS 41 Cb 0.55 -2.93 0.02 0.00 0.00 0.00 0.00 35.03 32.67 1spk n LYS 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1spk n ASP 42 N 4.55 -7.45 0.00 3.14 8.00 -1.26 -2.91 116.55 120.63 1spk n ASP 42 Ca 0.67 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1spk n ASP 42 Cb 0.28 -5.29 0.00 0.00 -0.02 0.00 0.00 41.12 36.09 1spk n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1spk n GLY 43 N -1.60 2.15 3.80 0.44 0.00 -1.26 -4.99 105.19 103.73 1spk n GLY 43 Ca -0.02 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1spk n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1spk s TRP 44 N -0.48 3.05 0.08 1.61 0.52 -1.15 -1.19 118.94 121.38 1spk s TRP 44 Ca 0.00 1.59 0.06 0.00 0.02 0.00 0.00 56.10 57.77 1spk s TRP 44 Cb 0.00 -3.05 -0.03 0.00 -1.15 0.00 0.00 33.47 29.24 1spk s TRP 44 CO 0.00 -0.74 -0.16 -0.51 0.02 0.00 0.00 176.95 175.56 1spk s LEU 45 N -3.38 2.30 0.30 2.99 1.43 0.31 0.19 118.68 122.82 1spk s LEU 45 Ca 0.66 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 53.18 1spk s LEU 45 Cb -0.16 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 1spk s LEU 45 CO 0.20 -0.05 0.24 -0.47 0.23 0.00 0.00 176.35 176.49 1spk s TYR 46 N -1.35 2.99 -1.20 0.29 5.04 -1.26 -2.02 117.35 119.84 1spk s TYR 46 Ca 0.01 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 1spk s TYR 46 Cb -0.09 -1.60 0.00 0.00 0.35 0.00 0.00 41.96 40.62 1spk s TYR 46 CO 0.03 0.35 0.00 0.41 -1.34 0.00 0.00 175.55 175.00 1spk n GLY 47 N -1.27 -1.35 3.38 8.97 0.00 -1.25 -3.64 105.19 110.04 1spk n GLY 47 Ca -0.05 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 1spk n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1spk s GLU 48 N -0.91 1.96 0.15 1.61 2.12 0.50 -3.32 118.70 120.81 1spk s GLU 48 Ca 0.00 -1.03 -0.26 0.00 0.36 0.00 0.00 54.97 54.04 1spk s GLU 48 Cb 0.00 -2.07 -0.07 0.00 0.26 0.00 0.00 34.13 32.25 1spk s GLU 48 CO 0.00 0.53 0.81 -1.58 -0.54 0.00 0.00 175.26 174.48 1spk s HIS 49 N -0.81 3.88 -0.32 5.30 5.65 -0.15 -0.33 115.29 128.50 1spk s HIS 49 Ca 0.12 1.65 -0.02 0.00 0.25 0.00 0.00 55.06 57.06 1spk s HIS 49 Cb -0.10 -2.82 0.12 0.00 -1.18 0.00 0.00 32.58 28.60 1spk s HIS 49 CO 0.02 0.44 2.36 -3.47 -0.65 0.00 0.00 174.74 173.44 1spk n ASP 50 N 1.92 6.33 0.08 9.88 -0.08 -1.21 -2.76 116.55 130.72 1spk n ASP 50 Ca -0.04 -3.03 0.00 0.00 -1.51 0.00 0.00 54.79 50.21 1spk n ASP 50 Cb 0.49 -1.14 0.00 0.00 2.34 0.00 0.00 41.12 42.81 1spk n ASP 50 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1spk n THR 51 N 0.72 0.00 0.21 5.18 -1.04 -1.26 -4.92 114.28 113.17 1spk n THR 51 Ca 0.35 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.44 1spk n THR 51 Cb 0.59 -0.03 0.43 0.00 -1.82 0.00 0.00 70.33 69.50 1spk n THR 51 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1spk h THR 52 N 0.00 0.70 0.00 12.58 1.35 -1.96 -3.46 112.91 122.12 1spk h THR 52 Ca 0.00 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1spk h THR 52 Cb 0.00 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1spk h THR 52 CO 0.00 0.27 0.00 0.29 -0.25 0.00 0.00 175.52 175.83 1spk n LYS 53 N -3.48 0.00 -3.48 4.72 4.76 -1.11 -5.00 118.16 114.57 1spk n LYS 53 Ca -0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.22 1spk n LYS 53 Cb 0.44 -2.61 -0.01 0.00 -1.84 0.00 0.00 35.03 31.01 1spk n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1spk s ALA 54 N -3.72 3.94 -0.06 7.82 0.00 -1.26 -4.75 121.76 123.73 1spk s ALA 54 Ca 0.00 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1spk s ALA 54 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.22 1spk s ALA 54 CO 0.00 -0.03 -0.21 1.03 0.00 0.00 0.00 175.76 176.55 1spk s ARG 55 N -4.24 2.54 0.03 0.00 0.52 -1.26 -0.98 118.95 115.56 1spk s ARG 55 Ca 0.42 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 1spk s ARG 55 Cb -0.09 -2.24 -0.00 0.00 0.52 0.00 0.00 34.95 33.13 1spk s ARG 55 CO 0.33 0.47 0.01 0.41 0.02 0.00 0.00 175.30 176.54 1spk n GLY 56 N 2.73 4.02 3.48 -3.53 0.00 -1.21 -4.96 105.19 105.73 1spk n GLY 56 Ca -0.17 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1spk n GLY 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1spk s TRP 57 N -1.76 2.88 0.02 1.61 0.52 0.23 -3.80 118.94 118.64 1spk s TRP 57 Ca 0.02 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 55.81 1spk s TRP 57 Cb 0.00 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 1spk s TRP 57 CO 0.01 0.06 0.07 -0.59 0.02 0.00 0.00 176.95 176.52 1spk s PHE 58 N -0.17 0.16 -0.22 -1.98 -0.12 -0.85 -2.73 117.98 112.07 1spk s PHE 58 Ca 0.01 -0.38 -0.29 0.00 -0.05 0.00 0.00 56.93 56.22 1spk s PHE 58 Cb -0.13 -0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.12 1spk s PHE 58 CO 0.03 -0.28 1.30 -1.25 -0.05 0.00 0.00 175.22 174.97 1spk s PRO 59 N -1.82 4.09 0.63 1.99 0.04 -1.26 0.11 135.00 138.77 1spk s PRO 59 Ca -0.12 1.51 0.26 0.00 0.04 0.00 0.00 61.00 62.69 1spk s PRO 59 Cb -0.06 -3.83 1.28 0.00 0.04 0.00 0.00 34.50 31.94 1spk s PRO 59 CO -0.01 -0.90 1.72 0.66 0.04 0.00 0.00 177.00 178.51 1spk h SER 60 N 8.78 0.00 0.44 6.66 4.64 -1.44 1.55 113.55 134.19 1spk h SER 60 Ca -0.27 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1spk h SER 60 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1spk h SER 60 CO 1.00 0.00 -0.51 -1.28 -0.87 0.00 0.00 176.83 175.17 1spk h SER 61 N 0.00 0.08 -0.27 4.97 0.87 -1.90 -2.30 113.55 115.01 1spk h SER 61 Ca 0.16 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1spk h SER 61 Cb 1.34 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1spk h SER 61 CO -0.00 0.58 0.00 -1.22 -0.53 0.00 0.00 176.83 175.66 1spk n TYR 62 N -3.94 0.44 -3.88 2.24 4.02 0.53 -4.83 117.16 111.74 1spk n TYR 62 Ca -0.02 -0.20 -0.10 0.00 -0.01 0.00 0.00 57.90 57.57 1spk n TYR 62 Cb 0.53 -0.04 -0.09 0.00 -0.02 0.00 0.00 39.34 39.72 1spk n TYR 62 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1spk s THR 63 N -1.63 0.10 0.09 -0.72 -4.23 -0.86 -2.58 115.64 105.81 1spk s THR 63 Ca 0.19 -0.85 0.05 0.00 -1.18 0.00 0.00 61.69 59.90 1spk s THR 63 Cb 0.11 -0.69 -0.03 0.00 1.34 0.00 0.00 72.50 73.22 1spk s THR 63 CO 0.12 -0.47 -0.14 -0.54 -0.54 0.00 0.00 174.62 173.04 1spk s LYS 64 N -2.04 0.89 0.08 3.99 1.02 0.95 -4.83 119.74 119.80 1spk s LYS 64 Ca -0.09 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 1spk s LYS 64 Cb -0.04 -0.85 -0.05 0.00 -0.52 0.00 0.00 37.83 36.36 1spk s LYS 64 CO -0.02 0.18 1.02 -0.51 -0.92 0.00 0.00 175.35 175.11 1spk s LEU 65 N -1.99 4.44 1.06 3.17 1.43 -1.26 0.85 118.68 126.38 1spk s LEU 65 Ca 0.02 1.83 -0.14 0.00 -1.03 0.00 0.00 54.13 54.81 1spk s LEU 65 Cb -0.08 -3.58 0.22 0.00 0.03 0.00 0.00 46.19 42.77 1spk s LEU 65 CO 0.02 -0.20 1.09 -0.76 0.23 0.00 0.00 176.35 176.73 1spk s LEU 66 N 0.38 1.30 -0.38 1.79 1.43 -0.95 -4.88 118.68 117.36 1spk s LEU 66 Ca 0.50 1.11 0.04 0.00 -1.03 0.00 0.00 54.13 54.75 1spk s LEU 66 Cb -0.24 -3.18 0.11 0.00 0.03 0.00 0.00 46.19 42.91 1spk s LEU 66 CO 0.30 -3.45 0.11 -0.44 0.23 0.00 0.00 176.35 173.09 1spk s SER 67 N -3.42 4.60 0.70 2.29 0.01 -1.26 -5.00 113.70 111.62 1spk s SER 67 Ca 0.67 -2.35 -0.00 0.00 1.31 0.00 0.00 55.95 55.58 1spk s SER 67 Cb -0.18 -1.58 0.13 0.00 0.21 0.00 0.00 66.02 64.60 1spk s SER 67 CO 0.58 -0.34 0.89 0.61 0.41 0.00 0.00 173.24 175.39 1spk n GLY 68 N 3.99 0.68 3.79 3.44 0.00 -1.26 -5.07 105.19 110.76 1spk n GLY 68 Ca 0.04 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 1spk n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1spk s PRO 69 N -4.82 3.98 0.66 1.61 0.04 -1.26 -5.02 135.00 130.19 1spk s PRO 69 Ca 0.59 1.44 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 1spk s PRO 69 Cb -0.03 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1spk s PRO 69 CO 0.39 -0.29 1.12 -1.12 0.04 0.00 0.00 177.00 177.14 1spk s SER 70 N -1.77 5.05 -0.13 6.66 0.01 -1.26 -4.50 113.70 117.77 1spk s SER 70 Ca 0.63 2.07 -0.09 0.00 1.31 0.00 0.00 55.95 59.87 1spk s SER 70 Cb -0.19 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.51 1spk s SER 70 CO 0.24 -1.67 0.17 -0.24 0.41 0.00 0.00 173.24 172.15 1spk n SER 71 N -2.34 -2.73 0.00 2.44 2.88 -1.26 -5.34 113.62 107.27 1spk n SER 71 Ca 0.11 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 1spk n SER 71 Cb 0.52 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.87 1spk n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42