#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g6p s ARG 2 N 0.00 0.76 0.00 2.12 1.70 -1.01 0.10 118.95 122.62 1g6p s ARG 2 Ca 0.00 0.46 0.00 0.00 -0.47 0.00 0.00 55.73 55.72 1g6p s ARG 2 Cb 0.00 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 1g6p s ARG 2 CO 0.00 -0.18 0.00 0.41 -1.08 0.00 0.00 175.30 174.45 1g6p n GLY 3 N 1.53 5.26 3.19 3.88 0.00 0.25 -2.54 105.19 116.76 1g6p n GLY 3 Ca -0.14 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 1g6p n GLY 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g6p s LYS 4 N 4.59 0.92 -0.05 1.61 1.02 0.84 -2.11 119.74 126.56 1g6p s LYS 4 Ca 0.00 -1.40 0.06 0.00 0.02 0.00 0.00 55.97 54.65 1g6p s LYS 4 Cb 0.00 -0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 37.13 1g6p s LYS 4 CO 0.00 -0.07 -0.23 0.08 -0.92 0.00 0.00 175.35 174.21 1g6p s VAL 5 N -3.68 1.86 0.00 3.17 1.01 0.55 0.50 120.40 123.81 1g6p s VAL 5 Ca 0.16 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1g6p s VAL 5 Cb 0.06 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1g6p s VAL 5 CO -0.02 0.52 0.00 2.29 0.00 0.00 0.00 175.10 177.89 1g6p n LYS 6 N 2.97 3.20 -3.66 2.72 2.85 -0.98 -1.52 118.16 123.73 1g6p n LYS 6 Ca -0.17 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 56.98 1g6p n LYS 6 Cb 0.52 -0.96 -0.08 0.00 -0.65 0.00 0.00 35.03 33.86 1g6p n LYS 6 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1g6p s TRP 7 N -1.91 -0.79 -0.12 5.58 0.52 -0.48 -4.72 118.94 117.01 1g6p s TRP 7 Ca 0.00 1.73 0.03 0.00 0.02 0.00 0.00 56.10 57.88 1g6p s TRP 7 Cb 0.00 0.37 0.01 0.00 -1.15 0.00 0.00 33.47 32.70 1g6p s TRP 7 CO 0.00 -0.40 -0.21 0.12 0.02 0.00 0.00 176.95 176.48 1g6p s PHE 8 N 0.98 2.50 0.34 -1.98 5.36 -1.26 0.11 117.98 124.03 1g6p s PHE 8 Ca -0.05 -1.20 0.03 0.00 -0.96 0.00 0.00 56.93 54.75 1g6p s PHE 8 Cb -0.05 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.88 1g6p s PHE 8 CO -0.09 -0.54 0.12 -0.51 -1.46 0.00 0.00 175.22 172.74 1g6p s ASP 9 N 0.74 2.06 0.52 6.13 1.01 0.37 -4.89 116.67 122.61 1g6p s ASP 9 Ca -0.10 -1.54 0.00 0.00 0.71 0.00 0.00 52.55 51.62 1g6p s ASP 9 Cb -0.16 0.31 0.00 0.00 1.01 0.00 0.00 42.92 44.08 1g6p s ASP 9 CO 0.00 -0.83 0.00 -0.24 0.21 0.00 0.00 175.17 174.32 1g6p n SER 10 N -0.95 -7.83 0.18 0.27 2.88 -1.26 -1.83 113.62 105.07 1g6p n SER 10 Ca -0.02 1.54 0.13 0.00 -1.33 0.00 0.00 58.87 59.19 1g6p n SER 10 Cb 0.65 -4.50 0.62 0.00 -0.75 0.00 0.00 64.21 60.23 1g6p n SER 10 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1g6p h LYS 11 N 0.59 0.00 0.00 -1.46 1.79 -1.98 -3.41 116.57 112.10 1g6p h LYS 11 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1g6p h LYS 11 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1g6p h LYS 11 CO 0.00 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.00 1g6p n LYS 12 N -2.45 2.18 -3.11 3.15 4.01 -1.26 -5.01 118.16 115.67 1g6p n LYS 12 Ca 0.00 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.37 1g6p n LYS 12 Cb 0.16 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.69 1g6p n LYS 12 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1g6p n GLY 13 N 5.00 4.90 3.60 0.72 0.00 -1.07 -4.86 105.19 113.48 1g6p n GLY 13 Ca 0.00 -2.65 -0.27 0.00 0.00 0.00 0.00 46.02 43.10 1g6p n GLY 13 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1g6p s TYR 14 N -2.37 2.72 -5.00 1.61 5.04 -0.76 0.22 117.35 118.80 1g6p s TYR 14 Ca 0.31 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.76 1g6p s TYR 14 Cb 0.01 -1.34 0.00 0.00 0.35 0.00 0.00 41.96 40.98 1g6p s TYR 14 CO 0.05 0.50 0.00 0.41 -1.34 0.00 0.00 175.55 175.17 1g6p n GLY 15 N 0.13 0.54 2.99 8.97 0.00 -1.03 0.14 105.19 116.94 1g6p n GLY 15 Ca -0.11 -1.61 -0.19 0.00 0.00 0.00 0.00 46.02 44.11 1g6p n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g6p s PHE 16 N -3.23 0.83 0.34 1.61 0.08 0.12 -0.06 117.98 117.66 1g6p s PHE 16 Ca 0.00 -0.19 0.06 0.00 0.12 0.00 0.00 56.93 56.92 1g6p s PHE 16 Cb 0.00 -0.59 -0.07 0.00 -0.57 0.00 0.00 43.02 41.80 1g6p s PHE 16 CO 0.00 -0.07 -0.00 0.42 -0.10 0.00 0.00 175.22 175.47 1g6p s ILE 17 N 0.12 1.65 -0.12 0.64 1.01 -0.92 -1.39 121.20 122.20 1g6p s ILE 17 Ca -0.02 -2.05 0.01 0.00 0.00 0.00 0.00 60.65 58.60 1g6p s ILE 17 Cb -0.07 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.66 1g6p s ILE 17 CO 0.00 -0.09 -0.15 -0.89 0.00 0.00 0.00 174.94 173.81 1g6p s THR 18 N -2.98 1.51 0.36 2.92 2.01 0.18 0.26 115.64 119.91 1g6p s THR 18 Ca 0.34 -0.63 -0.27 0.00 0.31 0.00 0.00 61.69 61.44 1g6p s THR 18 Cb 0.07 -1.40 -0.09 0.00 0.01 0.00 0.00 72.50 71.09 1g6p s THR 18 CO 0.15 0.45 1.22 -1.59 -0.69 0.00 0.00 174.62 174.16 1g6p s LYS 19 N 1.17 4.22 0.00 4.92 -2.85 -0.75 0.29 119.74 126.74 1g6p s LYS 19 Ca -0.02 2.00 0.00 0.00 -1.00 0.00 0.00 55.97 56.95 1g6p s LYS 19 Cb -0.14 -2.89 0.00 0.00 -2.06 0.00 0.00 37.83 32.74 1g6p s LYS 19 CO -0.05 -0.23 0.00 -3.47 0.10 0.00 0.00 175.35 171.70 1g6p n ASP 20 N 0.47 0.00 -0.91 0.03 2.03 -1.05 -0.47 116.55 116.65 1g6p n ASP 20 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1g6p n ASP 20 Cb 0.44 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.05 1g6p n ASP 20 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1g6p n GLU 21 N 0.00 1.72 0.00 -0.67 1.02 -1.26 -4.73 120.64 116.71 1g6p n GLU 21 Ca 0.00 -3.25 0.00 0.00 -0.02 0.00 0.00 57.16 53.89 1g6p n GLU 21 Cb 0.00 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1g6p n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g6p n GLY 22 N -1.13 0.26 0.00 0.62 0.00 0.38 -5.16 105.19 100.17 1g6p n GLY 22 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1g6p n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g6p n GLY 23 N 5.00 5.49 3.36 -0.02 0.00 -1.26 -4.90 105.19 112.87 1g6p n GLY 23 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1g6p n GLY 23 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1g6p s ASP 24 N 1.00 3.26 0.18 1.61 1.47 -1.26 -1.81 116.67 121.12 1g6p s ASP 24 Ca 0.00 -0.60 0.01 0.00 1.18 0.00 0.00 52.55 53.14 1g6p s ASP 24 Cb 0.00 -0.31 0.01 0.00 -0.34 0.00 0.00 42.92 42.28 1g6p s ASP 24 CO 0.00 0.24 0.08 0.55 0.68 0.00 0.00 175.17 176.72 1g6p n VAL 25 N 1.60 0.00 -4.33 2.11 3.14 0.74 -4.93 118.33 116.65 1g6p n VAL 25 Ca -0.17 -0.75 -0.17 0.00 -2.96 0.00 0.00 64.34 60.29 1g6p n VAL 25 Cb 0.52 -0.13 -0.10 0.00 -1.06 0.00 0.00 33.84 33.07 1g6p n VAL 25 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1g6p s PHE 26 N -1.20 1.57 -0.06 1.45 0.08 -1.23 -2.16 117.98 116.43 1g6p s PHE 26 Ca 0.06 -0.88 -0.13 0.00 0.12 0.00 0.00 56.93 56.10 1g6p s PHE 26 Cb -0.00 -0.90 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1g6p s PHE 26 CO 0.04 0.01 0.30 0.14 -0.10 0.00 0.00 175.22 175.60 1g6p s VAL 27 N -3.37 0.03 -0.26 -0.44 -7.23 0.92 -0.81 120.40 109.24 1g6p s VAL 27 Ca 0.27 -0.29 -0.11 0.00 -1.81 0.00 0.00 61.98 60.04 1g6p s VAL 27 Cb 0.05 -0.53 -0.15 0.00 0.56 0.00 0.00 36.38 36.32 1g6p s VAL 27 CO 0.08 -0.16 -0.23 1.57 -0.31 0.00 0.00 175.10 176.06 1g6p n HIS 28 N 1.99 0.19 0.00 2.82 -0.00 -1.19 -2.46 115.22 116.57 1g6p n HIS 28 Ca -0.18 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.07 1g6p n HIS 28 Cb 0.57 -1.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.42 1g6p n HIS 28 CO 0.00 0.00 0.00 -2.67 0.46 0.00 0.00 176.34 174.13 1g6p n TRP 29 N -4.03 0.00 -1.27 1.57 4.27 0.60 -4.02 117.44 114.55 1g6p n TRP 29 Ca -0.49 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.13 1g6p n TRP 29 Cb 0.89 0.00 0.21 0.00 -1.36 0.00 0.00 31.31 31.06 1g6p n TRP 29 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1g6p n SER 30 N 0.00 2.90 0.00 -0.67 3.41 -1.26 -2.91 113.62 115.09 1g6p n SER 30 Ca 0.00 -3.47 0.00 0.00 -0.26 0.00 0.00 58.87 55.14 1g6p n SER 30 Cb 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1g6p n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g6p n ALA 31 N -0.96 1.94 -2.93 7.33 0.00 -1.26 -4.73 120.51 119.90 1g6p n ALA 31 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.41 1g6p n ALA 31 Cb 0.95 0.23 -0.03 0.00 0.00 0.00 0.00 19.45 20.60 1g6p n ALA 31 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1g6p n ILE 32 N -1.89 3.77 -3.81 0.00 5.41 -1.26 0.16 119.36 121.73 1g6p n ILE 32 Ca 0.00 -5.65 -0.29 0.00 1.00 0.00 0.00 62.75 57.81 1g6p n ILE 32 Cb 0.46 -1.54 -0.12 0.00 -0.71 0.00 0.00 39.64 37.72 1g6p n ILE 32 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1g6p s GLU 33 N -3.53 1.95 0.44 0.38 0.41 -1.26 -2.60 118.70 114.50 1g6p s GLU 33 Ca 0.45 -2.80 0.03 0.00 -0.41 0.00 0.00 54.97 52.25 1g6p s GLU 33 Cb 0.24 -2.95 -0.03 0.00 -1.78 0.00 0.00 34.13 29.60 1g6p s GLU 33 CO -0.11 -1.24 0.04 1.41 -0.49 0.00 0.00 175.26 174.87 1g6p s MET 34 N -0.69 2.02 -0.12 1.61 1.75 -1.26 -5.04 119.30 117.57 1g6p s MET 34 Ca 0.23 -2.23 0.16 0.00 -1.25 0.00 0.00 55.69 52.59 1g6p s MET 34 Cb -0.12 -1.26 0.27 0.00 2.84 0.00 0.00 34.83 36.56 1g6p s MET 34 CO -0.10 -0.31 1.14 0.39 -0.65 0.00 0.00 175.02 175.49 1g6p n GLU 35 N -1.05 1.12 0.02 4.11 1.02 -1.26 -4.78 120.64 119.82 1g6p n GLU 35 Ca -0.11 -2.43 -0.01 0.00 -0.02 0.00 0.00 57.16 54.58 1g6p n GLU 35 Cb 0.66 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.72 1g6p n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g6p n GLY 36 N -1.19 -0.09 3.12 0.62 0.00 -1.26 -5.05 105.19 101.34 1g6p n GLY 36 Ca 0.14 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1g6p n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1g6p s PHE 37 N -1.92 -1.41 -0.07 1.61 5.36 -1.26 -5.14 117.98 115.14 1g6p s PHE 37 Ca -0.04 0.50 0.03 0.00 -0.96 0.00 0.00 56.93 56.46 1g6p s PHE 37 Cb 0.01 0.25 0.01 0.00 -0.34 0.00 0.00 43.02 42.95 1g6p s PHE 37 CO 0.05 -0.89 -0.16 0.21 -1.46 0.00 0.00 175.22 172.97 1g6p s LYS 38 N 2.33 2.08 0.00 10.12 2.36 -1.26 -4.55 119.74 130.82 1g6p s LYS 38 Ca 0.15 -0.55 0.00 0.00 -2.55 0.00 0.00 55.97 53.02 1g6p s LYS 38 Cb -0.05 -1.66 0.00 0.00 -1.05 0.00 0.00 37.83 35.07 1g6p s LYS 38 CO -0.16 0.08 0.00 0.25 1.55 0.00 0.00 175.35 177.06 1g6p n THR 39 N 3.71 0.00 -2.27 3.43 -2.24 -1.26 -5.00 114.28 110.65 1g6p n THR 39 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1g6p n THR 39 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1g6p n THR 39 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1g6p n LEU 40 N -0.36 -6.46 -0.02 3.22 7.99 -1.26 -4.81 117.00 115.29 1g6p n LEU 40 Ca 0.00 2.92 0.15 0.00 -0.01 0.00 0.00 56.01 59.07 1g6p n LEU 40 Cb 0.00 -3.20 0.76 0.00 -0.11 0.00 0.00 43.42 40.87 1g6p n LEU 40 CO 0.00 -2.62 1.01 0.29 -1.51 0.00 0.00 177.39 174.56 1g6p n LYS 41 N 1.83 0.58 -0.86 3.23 4.01 -1.26 -4.64 118.16 121.04 1g6p n LYS 41 Ca 0.00 -0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 1g6p n LYS 41 Cb 0.00 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1g6p n LYS 41 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1g6p n GLU 42 N -1.17 0.00 -2.77 1.97 -0.00 -1.26 -4.82 120.64 112.59 1g6p n GLU 42 Ca 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 57.29 1g6p n GLU 42 Cb 0.23 -2.82 0.06 0.00 -0.00 0.00 0.00 31.44 28.91 1g6p n GLU 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1g6p n GLY 43 N -2.00 1.74 0.00 -1.84 0.00 -0.57 -2.32 105.19 100.20 1g6p n GLY 43 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1g6p n GLY 43 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g6p n GLN 44 N -0.65 0.20 -5.21 1.61 6.02 -1.14 -4.84 117.38 113.38 1g6p n GLN 44 Ca 0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.70 1g6p n GLN 44 Cb 0.82 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.91 1g6p n GLN 44 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1g6p s VAL 45 N -1.10 2.13 0.45 5.09 1.01 -1.08 0.20 120.40 127.11 1g6p s VAL 45 Ca 0.00 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.03 1g6p s VAL 45 Cb 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1g6p s VAL 45 CO 0.00 0.56 0.20 -0.69 0.00 0.00 0.00 175.10 175.17 1g6p s VAL 46 N 0.14 2.04 -0.44 2.92 1.01 -0.90 0.75 120.40 125.92 1g6p s VAL 46 Ca -0.12 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.16 1g6p s VAL 46 Cb -0.16 -2.73 0.12 0.00 0.00 0.00 0.00 36.38 33.60 1g6p s VAL 46 CO 0.07 0.00 0.20 -1.61 0.00 0.00 0.00 175.10 173.76 1g6p s GLU 47 N -3.97 1.93 0.31 2.72 2.02 -1.03 0.85 118.70 121.53 1g6p s GLU 47 Ca 0.35 -2.09 0.06 0.00 0.02 0.00 0.00 54.97 53.31 1g6p s GLU 47 Cb 0.03 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 1g6p s GLU 47 CO 0.20 -1.05 0.26 -0.59 0.02 0.00 0.00 175.26 174.09 1g6p s PHE 48 N 0.63 1.66 0.12 1.61 -0.71 0.29 -1.07 117.98 120.51 1g6p s PHE 48 Ca 0.12 -1.62 0.04 0.00 -1.04 0.00 0.00 56.93 54.43 1g6p s PHE 48 Cb -0.22 -0.69 -0.04 0.00 -1.21 0.00 0.00 43.02 40.87 1g6p s PHE 48 CO -0.05 -0.84 -0.10 -2.00 -1.34 0.00 0.00 175.22 170.90 1g6p s GLU 49 N -3.55 0.94 0.00 1.99 2.56 -0.95 0.11 118.70 119.81 1g6p s GLU 49 Ca 0.40 -1.32 0.01 0.00 0.00 0.00 0.00 54.97 54.06 1g6p s GLU 49 Cb 0.03 -0.52 -0.01 0.00 2.00 0.00 0.00 34.13 35.64 1g6p s GLU 49 CO 0.25 0.06 -0.02 0.42 -0.56 0.00 0.00 175.26 175.41 1g6p s ILE 50 N -3.03 0.16 -0.04 -3.70 -1.09 -1.26 -1.68 121.20 110.55 1g6p s ILE 50 Ca 0.11 -0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.30 1g6p s ILE 50 Cb 0.01 -0.18 0.01 0.00 -1.58 0.00 0.00 42.46 40.72 1g6p s ILE 50 CO -0.01 -0.06 -0.10 -1.10 -1.23 0.00 0.00 174.94 172.44 1g6p s GLN 51 N -0.34 1.20 -0.11 2.79 -0.21 -0.99 -4.92 119.66 117.09 1g6p s GLN 51 Ca -0.02 -0.34 0.02 0.00 0.02 0.00 0.00 55.36 55.04 1g6p s GLN 51 Cb -0.03 -1.08 -0.01 0.00 1.00 0.00 0.00 33.01 32.90 1g6p s GLN 51 CO -0.00 0.08 -0.19 -1.83 -2.12 0.00 0.00 175.29 171.23 1g6p s GLU 52 N 0.38 3.17 0.00 2.91 -1.05 -1.26 -2.36 118.70 120.49 1g6p s GLU 52 Ca -0.07 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 53.96 1g6p s GLU 52 Cb -0.11 -2.45 0.00 0.00 -0.44 0.00 0.00 34.13 31.13 1g6p s GLU 52 CO 0.01 0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.85 1g6p n GLY 53 N 3.46 3.26 0.22 -3.83 0.00 -1.26 -4.97 105.19 102.08 1g6p n GLY 53 Ca -0.18 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.62 1g6p n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g6p h LYS 54 N 0.00 0.00 0.00 1.61 1.79 -2.07 -3.44 116.57 114.46 1g6p h LYS 54 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1g6p h LYS 54 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1g6p h LYS 54 CO 0.00 0.24 0.00 1.63 -1.08 0.00 0.00 179.45 180.24 1g6p n LYS 55 N -3.56 0.00 -4.25 3.15 4.76 -1.26 -5.14 118.16 111.86 1g6p n LYS 55 Ca -0.01 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.19 1g6p n LYS 55 Cb 0.39 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.50 1g6p n LYS 55 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1g6p s GLY 56 N 0.00 2.13 0.04 0.72 0.00 -1.26 -5.02 107.32 103.93 1g6p s GLY 56 Ca 0.00 -1.99 -0.31 0.00 0.00 0.00 0.00 44.72 42.43 1g6p s GLY 56 CO 0.00 -1.88 1.37 -4.14 0.00 0.00 0.00 173.10 168.45 1g6p s PRO 57 N -3.79 4.31 0.11 2.90 0.02 -1.26 -4.47 135.00 132.82 1g6p s PRO 57 Ca 0.37 1.97 0.06 0.00 0.02 0.00 0.00 61.00 63.41 1g6p s PRO 57 Cb 0.01 -3.45 -0.04 0.00 0.02 0.00 0.00 34.50 31.04 1g6p s PRO 57 CO 0.21 -0.49 -0.14 -1.14 -0.33 0.00 0.00 177.00 175.10 1g6p s GLN 58 N 1.86 0.97 0.21 5.54 0.74 -0.99 -3.55 119.66 124.44 1g6p s GLN 58 Ca 0.63 -1.18 -0.30 0.00 0.05 0.00 0.00 55.36 54.56 1g6p s GLN 58 Cb -0.33 -0.88 -0.09 0.00 1.10 0.00 0.00 33.01 32.82 1g6p s GLN 58 CO 0.28 0.17 1.36 0.00 -0.55 0.00 0.00 175.29 176.56 1g6p s ALA 59 N -1.96 3.57 -0.07 1.58 0.00 0.01 -2.34 121.76 122.55 1g6p s ALA 59 Ca 0.06 1.19 0.06 0.00 0.00 0.00 0.00 51.96 53.27 1g6p s ALA 59 Cb -0.06 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 1g6p s ALA 59 CO 0.03 -0.61 0.02 0.00 0.00 0.00 0.00 175.76 175.19 1g6p n ALA 60 N 2.65 1.83 -3.90 0.00 0.00 -0.68 -4.53 120.51 115.88 1g6p n ALA 60 Ca 0.07 -0.46 -0.27 0.00 0.00 0.00 0.00 53.44 52.77 1g6p n ALA 60 Cb 0.42 0.11 -0.17 0.00 0.00 0.00 0.00 19.45 19.81 1g6p n ALA 60 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1g6p s HIS 61 N -2.17 1.57 -0.15 0.00 3.76 -1.26 -4.08 115.29 112.97 1g6p s HIS 61 Ca -0.04 -0.89 -0.01 0.00 -0.15 0.00 0.00 55.06 53.97 1g6p s HIS 61 Cb 0.02 -1.27 0.04 0.00 1.11 0.00 0.00 32.58 32.49 1g6p s HIS 61 CO 0.29 -0.56 -0.01 0.08 -0.85 0.00 0.00 174.74 173.68 1g6p s VAL 62 N 1.68 0.74 0.29 -0.90 1.01 0.42 -2.23 120.40 121.42 1g6p s VAL 62 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1g6p s VAL 62 Cb -0.14 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1g6p s VAL 62 CO -0.08 0.08 0.02 0.29 0.00 0.00 0.00 175.10 175.42 1g6p n LYS 63 N 5.00 1.27 -4.67 2.72 5.02 -0.23 -4.51 118.16 122.76 1g6p n LYS 63 Ca -0.10 -2.11 -0.29 0.00 -2.02 0.00 0.00 58.31 53.80 1g6p n LYS 63 Cb 0.48 0.53 -0.14 0.00 -0.02 0.00 0.00 35.03 35.88 1g6p n LYS 63 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1g6p s VAL 64 N -2.00 2.10 0.31 -0.18 0.11 -1.26 -2.46 120.40 117.02 1g6p s VAL 64 Ca 0.02 -1.50 -0.09 0.00 -2.93 0.00 0.00 61.98 57.47 1g6p s VAL 64 Cb -0.00 -1.83 0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1g6p s VAL 64 CO 0.01 0.23 0.54 0.68 -3.33 0.00 0.00 175.10 173.24 1g6p s VAL 65 N -0.91 0.00 0.00 2.04 -7.23 0.23 -4.67 120.40 109.86 1g6p s VAL 65 Ca 0.12 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1g6p s VAL 65 Cb -0.10 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1g6p s VAL 65 CO 0.03 0.00 0.00 -1.84 -0.31 0.00 0.00 175.10 172.98