#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gyc s PHE 2 N 0.00 3.36 -0.34 2.03 2.99 -1.26 -4.80 117.98 119.96 2gyc s PHE 2 Ca 0.00 1.37 -0.11 0.00 0.00 0.00 0.00 56.93 58.19 2gyc s PHE 2 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 43.02 39.68 2gyc s PHE 2 CO 0.00 -0.92 0.20 0.99 -0.00 0.00 0.00 175.22 175.49 2gyc s THR 3 N 1.78 4.91 0.04 0.64 2.01 -1.26 -0.47 115.64 123.30 2gyc s THR 3 Ca 0.54 -0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.22 2gyc s THR 3 Cb -0.24 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2gyc s THR 3 CO 0.23 -0.02 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.27 2gyc s ILE 4 N 1.65 1.93 0.20 1.82 1.09 -1.05 -5.01 121.20 121.84 2gyc s ILE 4 Ca 0.05 -1.30 -0.02 0.00 -1.10 0.00 0.00 60.65 58.28 2gyc s ILE 4 Cb -0.18 -1.66 -0.05 0.00 -1.06 0.00 0.00 42.46 39.52 2gyc s ILE 4 CO 0.08 0.29 0.41 0.20 -0.10 0.00 0.00 174.94 175.83 2gyc s ASN 5 N -1.21 6.41 0.22 3.58 0.01 -1.26 -0.08 114.94 122.60 2gyc s ASN 5 Ca 0.10 0.47 -0.21 0.00 -0.71 0.00 0.00 52.86 52.50 2gyc s ASN 5 Cb -0.09 -2.04 0.07 0.00 0.41 0.00 0.00 41.25 39.60 2gyc s ASN 5 CO 0.02 -0.05 0.97 0.00 -1.51 0.00 0.00 177.10 176.53 2gyc s ALA 6 N -1.87 -1.43 0.00 0.60 0.00 -0.88 -3.97 121.76 114.21 2gyc s ALA 6 Ca 0.39 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2gyc s ALA 6 Cb -0.11 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.73 2gyc s ALA 6 CO 0.29 -1.05 0.00 0.39 0.00 0.00 0.00 175.76 175.39 2gyc n GLU 7 N -0.63 1.95 -4.88 0.00 -0.58 -0.98 0.10 120.64 115.62 2gyc n GLU 7 Ca -0.05 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.44 2gyc n GLU 7 Cb 0.60 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.31 2gyc n GLU 7 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2gyc s VAL 8 N 1.48 1.44 -0.73 2.62 1.01 -1.26 -2.68 120.40 122.28 2gyc s VAL 8 Ca 0.00 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 2gyc s VAL 8 Cb 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.19 2gyc s VAL 8 CO 0.00 0.41 1.51 -0.13 0.00 0.00 0.00 175.10 176.89 2gyc s ARG 9 N -0.43 3.01 -0.18 2.72 1.81 -0.72 -4.75 118.95 120.40 2gyc s ARG 9 Ca 0.07 -0.03 -0.16 0.00 -1.72 0.00 0.00 55.73 53.89 2gyc s ARG 9 Cb -0.07 -4.38 -0.12 0.00 -0.45 0.00 0.00 34.95 29.93 2gyc s ARG 9 CO -0.01 -2.40 0.04 0.87 -0.68 0.00 0.00 175.30 173.12 2gyc h LYS 10 N 11.68 0.00 -3.66 3.54 1.57 -1.98 -3.41 116.57 124.31 2gyc h LYS 10 Ca -0.22 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 57.80 2gyc h LYS 10 Cb 1.08 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.20 2gyc h LYS 10 CO 1.27 0.57 1.58 0.39 -0.57 0.00 0.00 179.45 182.69 2gyc n GLU 11 N -4.51 3.72 -1.84 3.15 1.02 -1.26 -4.98 120.64 115.94 2gyc n GLU 11 Ca -0.22 -3.83 -0.41 0.00 -0.02 0.00 0.00 57.16 52.69 2gyc n GLU 11 Cb 0.50 -2.85 -0.03 0.00 -0.02 0.00 0.00 31.44 29.04 2gyc n GLU 11 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2gyc s GLN 12 N -0.04 2.94 -0.13 3.49 -0.21 -1.26 -4.63 119.66 119.81 2gyc s GLN 12 Ca 0.38 1.41 -0.34 0.00 0.02 0.00 0.00 55.36 56.84 2gyc s GLN 12 Cb 0.05 -4.34 0.13 0.00 1.00 0.00 0.00 33.01 29.85 2gyc s GLN 12 CO 0.02 -2.33 1.23 0.20 -2.12 0.00 0.00 175.29 172.29 2gyc s GLY 13 N 8.05 -0.33 0.19 3.09 0.00 -1.26 -5.02 107.32 112.04 2gyc s GLY 13 Ca 0.85 1.30 -0.06 0.00 0.00 0.00 0.00 44.72 46.82 2gyc s GLY 13 CO 0.30 0.40 1.54 1.70 0.00 0.00 0.00 173.10 177.04 2gyc h LYS 14 N 2.00 0.74 -0.26 2.90 3.64 -1.99 -1.54 116.57 122.07 2gyc h LYS 14 Ca -0.16 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 2gyc h LYS 14 Cb 1.18 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2gyc h LYS 14 CO 0.25 1.00 0.07 0.78 -2.27 0.00 0.00 179.45 179.28 2gyc h GLY 15 N 0.93 0.44 2.00 5.01 0.00 -1.96 -1.62 103.07 107.88 2gyc h GLY 15 Ca 0.05 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 2gyc h GLY 15 CO 0.09 0.25 -0.44 0.00 0.00 0.00 0.00 176.54 176.44 2gyc h ALA 16 N 0.90 1.25 -0.43 3.60 0.00 -1.81 -2.96 119.26 119.80 2gyc h ALA 16 Ca 0.08 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 2gyc h ALA 16 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2gyc h ALA 16 CO -0.00 0.54 -0.24 1.03 0.00 0.00 0.00 179.25 180.58 2gyc h SER 17 N 0.00 0.95 0.38 0.00 0.87 -1.01 -2.96 113.55 111.78 2gyc h SER 17 Ca -0.00 -0.42 -0.07 0.00 -1.23 0.00 0.00 61.79 60.07 2gyc h SER 17 Cb 0.79 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2gyc h SER 17 CO 0.06 1.16 -0.32 0.03 -0.53 0.00 0.00 176.83 177.23 2gyc h ARG 18 N 0.75 0.00 0.00 2.24 3.08 -1.15 -0.09 114.38 119.21 2gyc h ARG 18 Ca 0.09 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2gyc h ARG 18 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2gyc h ARG 18 CO 0.07 0.32 -0.21 0.00 -1.07 0.00 0.00 179.97 179.08 2gyc h ARG 19 N 0.00 0.00 0.13 0.04 3.08 -1.40 -2.27 114.38 113.97 2gyc h ARG 19 Ca -0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.75 2gyc h ARG 19 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 2gyc h ARG 19 CO 0.04 0.21 -1.51 -0.07 -1.07 0.00 0.00 179.97 177.57 2gyc h LEU 20 N 0.00 0.44 -1.97 3.04 3.38 -1.21 -3.24 115.31 115.75 2gyc h LEU 20 Ca -0.00 -0.88 -0.01 0.00 0.09 0.00 0.00 57.88 57.08 2gyc h LEU 20 Cb 0.85 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2gyc h LEU 20 CO 0.03 1.67 -0.06 0.03 0.09 0.00 0.00 178.44 180.19 2gyc h ARG 21 N -0.19 0.00 0.00 1.13 3.08 0.25 0.29 114.38 118.93 2gyc h ARG 21 Ca -0.32 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.66 2gyc h ARG 21 Cb 1.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.89 2gyc h ARG 21 CO 0.09 0.06 -0.36 0.00 -1.07 0.00 0.00 179.97 178.69 2gyc h ALA 22 N 1.94 0.94 -0.59 0.04 0.00 -1.51 -2.54 119.26 117.53 2gyc h ALA 22 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2gyc h ALA 22 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2gyc h ALA 22 CO 0.01 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.71 2gyc n ALA 23 N -2.26 3.22 -2.66 0.00 0.00 0.46 -4.95 120.51 114.32 2gyc n ALA 23 Ca 0.00 -1.71 -0.10 0.00 0.00 0.00 0.00 53.44 51.63 2gyc n ALA 23 Cb 0.53 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 19.04 2gyc n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gyc n ASN 24 N 0.87 -4.15 -3.74 0.00 5.03 -0.37 -4.95 115.26 107.95 2gyc n ASN 24 Ca 0.25 -0.42 -0.13 0.00 0.87 0.00 0.00 54.58 55.15 2gyc n ASN 24 Cb 0.94 -3.39 -0.10 0.00 -1.02 0.00 0.00 39.78 36.21 2gyc n ASN 24 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2gyc s LYS 25 N -4.11 0.49 0.06 3.52 1.02 0.73 -1.25 119.74 120.20 2gyc s LYS 25 Ca 0.21 0.42 0.01 0.00 0.02 0.00 0.00 55.97 56.63 2gyc s LYS 25 Cb -0.03 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.49 2gyc s LYS 25 CO 0.45 -0.08 -0.06 -0.59 -0.92 0.00 0.00 175.35 174.16 2gyc s PHE 26 N -0.05 0.65 0.90 3.18 -0.71 -0.89 -1.35 117.98 119.71 2gyc s PHE 26 Ca -0.02 -0.70 -0.13 0.00 -1.04 0.00 0.00 56.93 55.04 2gyc s PHE 26 Cb -0.03 -0.40 0.14 0.00 -1.21 0.00 0.00 43.02 41.52 2gyc s PHE 26 CO 0.01 -0.16 1.16 -1.25 -1.34 0.00 0.00 175.22 173.64 2gyc s PRO 27 N -2.53 1.19 -0.13 1.99 0.04 -1.26 -1.15 135.00 133.15 2gyc s PRO 27 Ca -0.02 0.19 -0.30 0.00 0.04 0.00 0.00 61.00 60.91 2gyc s PRO 27 Cb -0.03 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 32.77 2gyc s PRO 27 CO -0.03 -2.15 0.96 0.00 0.04 0.00 0.00 177.00 175.83 2gyc s ALA 28 N -3.37 -1.91 -0.07 8.56 0.00 -0.33 -3.97 121.76 120.68 2gyc s ALA 28 Ca 0.64 1.48 0.04 0.00 0.00 0.00 0.00 51.96 54.12 2gyc s ALA 28 Cb -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2gyc s ALA 28 CO 0.52 -0.38 -0.19 -1.50 0.00 0.00 0.00 175.76 174.22 2gyc s ILE 29 N -1.44 1.60 -0.08 0.00 -1.16 -1.15 -0.44 121.20 118.54 2gyc s ILE 29 Ca -0.01 -0.78 0.05 0.00 -0.51 0.00 0.00 60.65 59.40 2gyc s ILE 29 Cb -0.01 -1.39 -0.01 0.00 0.61 0.00 0.00 42.46 41.67 2gyc s ILE 29 CO 0.01 0.46 -0.24 -0.63 -2.81 0.00 0.00 174.94 171.72 2gyc s ILE 30 N 0.25 2.04 0.09 2.00 1.09 0.84 -1.36 121.20 126.16 2gyc s ILE 30 Ca -0.11 -1.03 0.03 0.00 -1.10 0.00 0.00 60.65 58.44 2gyc s ILE 30 Cb -0.15 -1.74 -0.03 0.00 -1.06 0.00 0.00 42.46 39.48 2gyc s ILE 30 CO 0.05 0.56 -0.09 -0.72 -0.10 0.00 0.00 174.94 174.63 2gyc s TYR 31 N 0.07 0.98 -0.48 3.97 -0.85 -0.90 -0.57 117.35 119.57 2gyc s TYR 31 Ca -0.11 -0.67 0.05 0.00 -0.52 0.00 0.00 57.07 55.82 2gyc s TYR 31 Cb -0.16 -0.55 0.22 0.00 0.38 0.00 0.00 41.96 41.86 2gyc s TYR 31 CO 0.06 -0.03 0.87 0.41 -1.52 0.00 0.00 175.55 175.34 2gyc n GLY 32 N 0.61 -0.53 7.00 5.49 0.00 -1.25 -1.07 105.19 115.45 2gyc n GLY 32 Ca -0.17 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2gyc n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gyc n GLY 33 N 2.26 2.92 0.28 -0.02 0.00 -1.26 -0.68 105.19 108.69 2gyc n GLY 33 Ca 0.12 0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.57 2gyc n GLY 33 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2gyc h LYS 34 N 0.00 0.00 -6.59 1.61 -0.00 -2.04 -3.42 116.57 106.13 2gyc h LYS 34 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 60.65 60.12 2gyc h LYS 34 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 32.23 32.26 2gyc h LYS 34 CO 0.00 0.03 0.75 -1.21 -0.00 0.00 0.00 179.45 179.02 2gyc s GLU 35 N -4.66 4.30 0.12 0.07 0.41 0.14 -4.96 118.70 114.12 2gyc s GLU 35 Ca -0.05 2.15 -0.31 0.00 -0.41 0.00 0.00 54.97 56.35 2gyc s GLU 35 Cb 0.15 -3.21 -0.08 0.00 -1.78 0.00 0.00 34.13 29.21 2gyc s GLU 35 CO 0.59 -0.45 1.38 0.00 -0.49 0.00 0.00 175.26 176.28 2gyc s ALA 36 N 0.94 3.58 0.57 5.21 0.00 -1.26 -3.75 121.76 127.05 2gyc s ALA 36 Ca 0.65 1.11 -0.19 0.00 0.00 0.00 0.00 51.96 53.53 2gyc s ALA 36 Cb -0.39 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.13 2gyc s ALA 36 CO 0.32 -0.61 0.77 -2.30 0.00 0.00 0.00 175.76 173.94 2gyc n PRO 37 N 3.88 0.76 -3.80 0.00 -0.02 -1.26 -4.87 135.00 129.68 2gyc n PRO 37 Ca 0.11 0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.75 2gyc n PRO 37 Cb 0.42 -1.94 -0.14 0.00 -0.02 0.00 0.00 33.50 31.83 2gyc n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2gyc s LEU 38 N -0.60 1.29 -0.23 2.45 2.96 0.26 -4.96 118.68 119.84 2gyc s LEU 38 Ca 0.71 0.20 -0.09 0.00 -0.22 0.00 0.00 54.13 54.74 2gyc s LEU 38 Cb -0.45 0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.48 2gyc s LEU 38 CO 0.51 -0.08 0.11 0.00 -1.32 0.00 0.00 176.35 175.57 2gyc s ALA 39 N 0.53 3.39 0.44 5.97 0.00 -1.26 -0.11 121.76 130.72 2gyc s ALA 39 Ca -0.04 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 50.99 2gyc s ALA 39 Cb -0.06 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 2gyc s ALA 39 CO -0.02 -0.24 0.05 0.96 0.00 0.00 0.00 175.76 176.50 2gyc s ILE 40 N 1.16 1.13 -0.32 0.00 -4.36 0.42 -1.76 121.20 117.48 2gyc s ILE 40 Ca 0.06 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.48 2gyc s ILE 40 Cb -0.14 -2.43 0.09 0.00 1.25 0.00 0.00 42.46 41.22 2gyc s ILE 40 CO 0.04 0.00 0.01 -1.61 0.24 0.00 0.00 174.94 173.62 2gyc s GLU 41 N -3.80 1.80 0.52 0.37 2.02 -1.09 -1.18 118.70 117.33 2gyc s GLU 41 Ca 0.20 -1.68 -0.03 0.00 0.02 0.00 0.00 54.97 53.47 2gyc s GLU 41 Cb 0.04 -3.13 -0.00 0.00 0.10 0.00 0.00 34.13 31.13 2gyc s GLU 41 CO 0.10 -0.82 0.79 -0.51 0.02 0.00 0.00 175.26 174.85 2gyc s LEU 42 N 1.00 3.47 0.00 1.80 1.43 -0.30 -2.33 118.68 123.74 2gyc s LEU 42 Ca 0.04 0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 53.44 2gyc s LEU 42 Cb -0.20 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2gyc s LEU 42 CO -0.06 -0.83 0.90 -0.62 0.23 0.00 0.00 176.35 175.96 2gyc s ASP 43 N -4.23 7.29 0.00 2.29 -1.08 -1.25 -2.10 116.67 117.59 2gyc s ASP 43 Ca 0.50 1.56 -0.25 0.00 -0.52 0.00 0.00 52.55 53.85 2gyc s ASP 43 Cb -0.10 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 38.68 2gyc s ASP 43 CO 0.42 -0.19 1.08 -0.74 0.52 0.00 0.00 175.17 176.27 2gyc h HIS 44 N 6.56 -0.69 -0.15 -5.34 -0.00 -1.51 -2.77 115.15 111.26 2gyc h HIS 44 Ca -0.41 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 59.98 2gyc h HIS 44 Cb 1.21 0.23 -0.07 0.00 -0.00 0.00 0.00 27.41 28.78 2gyc h HIS 44 CO 0.67 -0.37 -0.41 -0.44 -0.00 0.00 0.00 177.93 177.38 2gyc h ASP 45 N -1.09 -1.29 0.07 3.26 3.32 -1.94 0.23 116.42 118.97 2gyc h ASP 45 Ca -0.08 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2gyc h ASP 45 Cb 0.63 0.53 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 2gyc h ASP 45 CO 0.12 -0.42 -0.09 0.11 -1.72 0.00 0.00 179.24 177.25 2gyc h LYS 46 N -0.47 -0.16 -0.86 3.56 1.57 -1.94 -2.75 116.57 115.52 2gyc h LYS 46 Ca 0.08 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.06 2gyc h LYS 46 Cb 0.62 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.85 2gyc h LYS 46 CO -0.41 -0.11 0.37 0.28 -0.57 0.00 0.00 179.45 179.02 2gyc h VAL 47 N -0.17 0.56 -0.66 0.50 2.07 -1.47 -0.97 116.25 116.11 2gyc h VAL 47 Ca -0.01 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.45 2gyc h VAL 47 Cb 0.15 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 2gyc h VAL 47 CO -0.02 0.08 0.29 -0.03 0.02 0.00 0.00 177.57 177.91 2gyc h MET 48 N 0.45 0.48 0.00 1.57 1.85 -0.84 0.82 114.93 119.27 2gyc h MET 48 Ca 0.51 -0.03 -0.11 0.00 -0.61 0.00 0.00 59.70 59.46 2gyc h MET 48 Cb 0.89 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.79 2gyc h MET 48 CO -0.48 0.32 -0.53 -0.91 -0.40 0.00 0.00 176.91 174.91 2gyc h ASN 49 N 0.50 0.00 0.73 1.39 2.35 -0.99 -3.15 115.58 116.41 2gyc h ASN 49 Ca 0.33 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.82 2gyc h ASN 49 Cb 0.38 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2gyc h ASN 49 CO -0.29 0.53 -1.25 0.24 -1.65 0.00 0.00 177.43 175.01 2gyc h MET 50 N 0.00 0.13 0.00 0.81 2.86 -0.15 -3.24 114.93 115.34 2gyc h MET 50 Ca -0.01 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2gyc h MET 50 Cb 1.33 0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.07 2gyc h MET 50 CO 0.07 1.04 0.00 -0.56 1.06 0.00 0.00 176.91 178.52 2gyc h GLN 51 N 0.04 0.00 0.00 1.72 -0.00 0.58 -2.68 115.11 114.76 2gyc h GLN 51 Ca -0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.45 2gyc h GLN 51 Cb 1.91 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.37 2gyc h GLN 51 CO 0.15 0.00 -0.37 0.00 -0.00 0.00 0.00 178.83 178.61 2gyc h ALA 52 N 2.15 1.19 -2.02 0.06 0.00 -1.56 -3.41 119.26 115.66 2gyc h ALA 52 Ca 0.00 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 53.99 2gyc h ALA 52 Cb 0.61 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 2gyc h ALA 52 CO 0.00 0.46 0.64 0.15 0.00 0.00 0.00 179.25 180.50 2gyc s LYS 53 N -3.92 3.87 0.28 0.00 1.02 -1.01 -4.94 119.74 115.04 2gyc s LYS 53 Ca -0.02 0.64 -0.06 0.00 0.02 0.00 0.00 55.97 56.56 2gyc s LYS 53 Cb 0.13 -3.79 0.52 0.00 -0.52 0.00 0.00 37.83 34.16 2gyc s LYS 53 CO 0.70 -0.95 1.53 0.00 -0.92 0.00 0.00 175.35 175.71 2gyc n ALA 54 N 6.81 0.29 0.12 5.17 0.00 -1.26 0.46 120.51 132.11 2gyc n ALA 54 Ca 0.08 1.07 0.06 0.00 0.00 0.00 0.00 53.44 54.65 2gyc n ALA 54 Cb 0.48 -0.67 0.31 0.00 0.00 0.00 0.00 19.45 19.57 2gyc n ALA 54 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2gyc n GLU 55 N -5.57 0.08 -0.31 0.00 0.00 -1.26 -2.18 120.64 111.40 2gyc n GLU 55 Ca 0.17 0.53 0.08 0.00 0.00 0.00 0.00 57.16 57.94 2gyc n GLU 55 Cb 0.55 -1.97 0.29 0.00 0.00 0.00 0.00 31.44 30.31 2gyc n GLU 55 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2gyc h PHE 56 N 0.00 0.99 -0.00 -1.84 3.57 -0.21 0.43 116.94 119.88 2gyc h PHE 56 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2gyc h PHE 56 Cb 0.43 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2gyc h PHE 56 CO 0.00 0.43 -0.17 0.66 -2.23 0.00 0.00 178.31 177.00 2gyc n TYR 57 N -4.55 0.00 0.28 0.41 4.02 -0.93 -3.79 117.16 112.60 2gyc n TYR 57 Ca 0.16 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.11 2gyc n TYR 57 Cb 0.34 -0.27 -0.08 0.00 -0.02 0.00 0.00 39.34 39.30 2gyc n TYR 57 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2gyc n SER 58 N -1.20 1.37 -4.90 7.72 3.41 -0.32 -4.23 113.62 115.48 2gyc n SER 58 Ca 0.11 -0.39 -0.29 0.00 -0.26 0.00 0.00 58.87 58.04 2gyc n SER 58 Cb 0.31 1.29 0.03 0.00 -0.26 0.00 0.00 64.21 65.57 2gyc n SER 58 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2gyc s GLU 59 N -2.51 3.15 -1.16 4.33 2.02 -0.01 -4.98 118.70 119.54 2gyc s GLU 59 Ca -0.00 0.31 -0.04 0.00 0.02 0.00 0.00 54.97 55.26 2gyc s GLU 59 Cb 0.09 -2.18 0.24 0.00 0.10 0.00 0.00 34.13 32.37 2gyc s GLU 59 CO 0.51 -0.68 1.96 1.55 0.02 0.00 0.00 175.26 178.62 2gyc n VAL 60 N -2.68 5.52 -0.90 2.63 3.14 -1.26 -4.46 118.33 120.31 2gyc n VAL 60 Ca 0.05 -5.26 -0.35 0.00 -2.96 0.00 0.00 64.34 55.81 2gyc n VAL 60 Cb 0.56 -1.90 -0.05 0.00 -1.06 0.00 0.00 33.84 31.40 2gyc n VAL 60 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2gyc n LEU 61 N 1.19 0.03 -4.29 6.55 4.77 -0.30 -4.38 117.00 120.58 2gyc n LEU 61 Ca 0.48 0.69 -0.43 0.00 -0.03 0.00 0.00 56.01 56.72 2gyc n LEU 61 Cb 0.28 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 2gyc n LEU 61 CO 0.64 -1.10 0.64 -0.89 -1.33 0.00 0.00 177.39 175.35 2gyc s THR 62 N 0.10 5.58 -0.35 -5.08 2.01 0.38 -1.16 115.64 117.13 2gyc s THR 62 Ca 0.55 -3.43 -0.27 0.00 0.31 0.00 0.00 61.69 58.85 2gyc s THR 62 Cb -0.76 -4.38 0.01 0.00 0.01 0.00 0.00 72.50 67.38 2gyc s THR 62 CO 0.35 -1.15 0.97 -0.63 -0.69 0.00 0.00 174.62 173.47 2gyc s ILE 63 N -1.14 4.56 -0.68 1.82 1.01 -1.26 -2.52 121.20 123.00 2gyc s ILE 63 Ca 0.29 1.38 -0.17 0.00 0.00 0.00 0.00 60.65 62.14 2gyc s ILE 63 Cb -0.10 -4.35 0.14 0.00 0.01 0.00 0.00 42.46 38.16 2gyc s ILE 63 CO -0.09 -0.51 0.73 -0.69 0.00 0.00 0.00 174.94 174.38 2gyc s VAL 64 N 3.52 5.09 -0.34 2.92 1.01 0.88 -1.81 120.40 131.67 2gyc s VAL 64 Ca 0.40 -1.54 -0.24 0.00 0.00 0.00 0.00 61.98 60.61 2gyc s VAL 64 Cb -0.12 -4.49 0.01 0.00 0.00 0.00 0.00 36.38 31.78 2gyc s VAL 64 CO 0.17 -1.09 0.83 0.54 0.00 0.00 0.00 175.10 175.55 2gyc s VAL 65 N 1.83 4.71 0.00 2.92 0.11 0.45 -2.07 120.40 128.36 2gyc s VAL 65 Ca 0.14 1.11 0.00 0.00 -2.93 0.00 0.00 61.98 60.30 2gyc s VAL 65 Cb -0.20 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.43 2gyc s VAL 65 CO -0.00 -0.39 0.00 -0.67 -3.33 0.00 0.00 175.10 170.71 2gyc n ASP 66 N 6.44 0.00 -0.31 3.54 2.03 0.11 -2.55 116.55 125.81 2gyc n ASP 66 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2gyc n ASP 66 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2gyc n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gyc n GLY 67 N 0.00 0.72 3.43 0.27 0.00 -1.26 -5.03 105.19 103.32 2gyc n GLY 67 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2gyc n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gyc s LYS 68 N 0.00 0.81 0.83 1.61 0.00 -1.06 -5.12 119.74 116.81 2gyc s LYS 68 Ca 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 55.97 56.19 2gyc s LYS 68 Cb 0.00 0.38 0.10 0.00 0.00 0.00 0.00 37.83 38.31 2gyc s LYS 68 CO 0.00 -0.20 1.19 -1.83 0.00 0.00 0.00 175.35 174.52 2gyc s GLU 69 N -0.66 1.80 0.00 1.78 -1.05 -1.26 -0.41 118.70 118.90 2gyc s GLU 69 Ca -0.07 0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 2gyc s GLU 69 Cb -0.03 -1.94 0.00 0.00 -0.44 0.00 0.00 34.13 31.72 2gyc s GLU 69 CO 0.05 -1.70 0.00 -0.89 0.95 0.00 0.00 175.26 173.67 2gyc n ILE 70 N -3.37 0.00 -2.25 1.83 5.41 -0.75 -4.86 119.36 115.37 2gyc n ILE 70 Ca 0.09 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.80 2gyc n ILE 70 Cb 0.61 -0.16 -0.03 0.00 -0.71 0.00 0.00 39.64 39.35 2gyc n ILE 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2gyc n LYS 71 N -1.29 -3.51 -4.12 0.38 5.02 -1.21 -4.73 118.16 108.70 2gyc n LYS 71 Ca 0.00 2.75 -0.13 0.00 -2.02 0.00 0.00 58.31 58.92 2gyc n LYS 71 Cb 0.11 -3.95 -0.07 0.00 -0.02 0.00 0.00 35.03 31.10 2gyc n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2gyc s VAL 72 N -0.48 0.00 0.10 -0.18 -7.23 -0.31 -1.70 120.40 110.61 2gyc s VAL 72 Ca -0.18 -1.71 0.09 0.00 -1.81 0.00 0.00 61.98 58.37 2gyc s VAL 72 Cb 0.01 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2gyc s VAL 72 CO 0.48 0.00 -0.24 -0.54 -0.31 0.00 0.00 175.10 174.49 2gyc s LYS 73 N -3.75 1.35 0.41 4.82 1.02 0.10 -1.15 119.74 122.55 2gyc s LYS 73 Ca 0.32 -1.21 -0.24 0.00 0.02 0.00 0.00 55.97 54.85 2gyc s LYS 73 Cb 0.02 -1.69 -0.09 0.00 -0.52 0.00 0.00 37.83 35.55 2gyc s LYS 73 CO 0.15 0.41 1.09 0.00 -0.92 0.00 0.00 175.35 176.08 2gyc s ALA 74 N -1.04 3.09 0.00 5.17 0.00 -1.26 -1.38 121.76 126.34 2gyc s ALA 74 Ca 0.10 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2gyc s ALA 74 Cb -0.10 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2gyc s ALA 74 CO 0.04 -0.34 0.00 1.04 0.00 0.00 0.00 175.76 176.50 2gyc n GLN 75 N -0.08 0.00 -4.21 0.00 1.13 -0.79 -4.86 117.38 108.56 2gyc n GLN 75 Ca 0.05 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.94 2gyc n GLN 75 Cb 0.49 -0.02 -0.11 0.00 0.11 0.00 0.00 30.24 30.71 2gyc n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2gyc s ASP 76 N -0.60 1.83 -0.15 1.08 -1.08 -1.26 -5.00 116.67 111.49 2gyc s ASP 76 Ca 0.00 -0.77 -0.00 0.00 -0.52 0.00 0.00 52.55 51.26 2gyc s ASP 76 Cb 0.00 -0.05 0.04 0.00 -1.46 0.00 0.00 42.92 41.45 2gyc s ASP 76 CO 0.00 -0.15 -0.07 -0.69 0.52 0.00 0.00 175.17 174.78 2gyc s VAL 77 N -2.02 1.16 -0.34 1.11 1.01 -1.26 -1.61 120.40 118.44 2gyc s VAL 77 Ca 0.06 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 2gyc s VAL 77 Cb -0.06 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2gyc s VAL 77 CO 0.02 0.22 0.75 -1.10 0.00 0.00 0.00 175.10 174.99 2gyc s GLN 78 N 1.62 3.82 0.46 2.72 1.11 0.16 -4.99 119.66 124.56 2gyc s GLN 78 Ca 0.02 0.36 -0.04 0.00 0.01 0.00 0.00 55.36 55.71 2gyc s GLN 78 Cb -0.14 -3.78 -0.03 0.00 -1.01 0.00 0.00 33.01 28.05 2gyc s GLN 78 CO -0.08 -0.76 0.74 1.03 0.01 0.00 0.00 175.29 176.24 2gyc s ARG 79 N 2.96 3.45 0.25 2.91 0.52 -1.26 -0.77 118.95 127.01 2gyc s ARG 79 Ca 0.30 0.04 -0.13 0.00 -0.52 0.00 0.00 55.73 55.42 2gyc s ARG 79 Cb -0.14 -2.43 -0.08 0.00 0.52 0.00 0.00 34.95 32.82 2gyc s ARG 79 CO 0.15 -0.18 0.64 -1.58 0.02 0.00 0.00 175.30 174.35 2gyc s HIS 80 N -2.67 3.45 0.00 -0.53 2.46 0.69 -4.68 115.29 114.02 2gyc s HIS 80 Ca 0.47 1.09 0.00 0.00 0.47 0.00 0.00 55.06 57.08 2gyc s HIS 80 Cb -0.10 -2.42 0.00 0.00 -0.13 0.00 0.00 32.58 29.93 2gyc s HIS 80 CO 0.43 0.23 0.00 -0.35 -2.47 0.00 0.00 174.74 172.58 2gyc n PRO 81 N -0.01 0.00 -0.49 2.88 -0.04 -1.26 -4.19 135.00 131.90 2gyc n PRO 81 Ca 0.01 0.00 0.41 0.00 -0.04 0.00 0.00 63.50 63.87 2gyc n PRO 81 Cb 0.52 -0.05 0.72 0.00 -0.04 0.00 0.00 33.50 34.65 2gyc n PRO 81 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 2gyc h TYR 82 N 0.00 0.26 -3.53 0.54 -0.00 -2.02 -3.33 116.97 108.90 2gyc h TYR 82 Ca 0.00 0.01 -0.60 0.00 0.00 0.00 0.00 58.73 58.15 2gyc h TYR 82 Cb 0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 36.73 36.28 2gyc h TYR 82 CO 0.00 -0.08 -0.77 -1.59 -0.00 0.00 0.00 178.16 175.72 2gyc s LYS 83 N -5.10 1.35 -0.87 0.10 -2.85 -1.26 -5.06 119.74 106.05 2gyc s LYS 83 Ca -0.06 -0.97 -0.20 0.00 -1.00 0.00 0.00 55.97 53.74 2gyc s LYS 83 Cb 0.27 -2.49 -0.22 0.00 -2.06 0.00 0.00 37.83 33.33 2gyc s LYS 83 CO 0.84 -0.67 2.34 -2.30 0.10 0.00 0.00 175.35 175.65 2gyc n PRO 84 N 4.72 0.32 -4.04 1.78 -0.02 -1.25 -4.45 135.00 132.07 2gyc n PRO 84 Ca -0.09 -0.35 -0.13 0.00 -2.02 0.00 0.00 63.50 60.91 2gyc n PRO 84 Cb 0.44 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 2gyc n PRO 84 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2gyc s LYS 85 N 8.10 1.84 -0.08 -0.52 1.02 -1.26 -4.96 119.74 123.88 2gyc s LYS 85 Ca 1.13 -1.59 -0.26 0.00 0.02 0.00 0.00 55.97 55.27 2gyc s LYS 85 Cb -0.53 0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 37.22 2gyc s LYS 85 CO 0.33 -0.78 0.82 -0.51 -0.92 0.00 0.00 175.35 174.30 2gyc s LEU 86 N -3.16 4.29 -0.24 3.17 1.43 -1.26 -0.22 118.68 122.68 2gyc s LEU 86 Ca 0.27 1.31 -0.09 0.00 -1.03 0.00 0.00 54.13 54.59 2gyc s LEU 86 Cb -0.01 -3.27 -0.11 0.00 0.03 0.00 0.00 46.19 42.83 2gyc s LEU 86 CO 0.16 -0.25 -0.29 1.67 0.23 0.00 0.00 176.35 177.88 2gyc n GLN 87 N 4.28 0.52 -3.64 1.70 7.27 0.05 -4.80 117.38 122.76 2gyc n GLN 87 Ca 0.03 0.20 -0.09 0.00 0.07 0.00 0.00 57.00 57.21 2gyc n GLN 87 Cb 0.50 -1.38 -0.07 0.00 2.41 0.00 0.00 30.24 31.71 2gyc n GLN 87 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2gyc s HIS 88 N -2.44 -0.66 0.03 3.69 5.04 -0.95 -4.36 115.29 115.63 2gyc s HIS 88 Ca -0.33 1.51 0.05 0.00 -1.54 0.00 0.00 55.06 54.75 2gyc s HIS 88 Cb 0.12 0.38 -0.02 0.00 0.04 0.00 0.00 32.58 33.09 2gyc s HIS 88 CO 0.44 -0.32 -0.15 0.42 -2.34 0.00 0.00 174.74 172.79 2gyc s ILE 89 N 0.66 1.22 0.02 0.89 1.09 -1.25 0.35 121.20 124.17 2gyc s ILE 89 Ca -0.02 -0.93 -0.01 0.00 -1.10 0.00 0.00 60.65 58.60 2gyc s ILE 89 Cb -0.05 -1.07 -0.04 0.00 -1.06 0.00 0.00 42.46 40.24 2gyc s ILE 89 CO -0.08 0.13 0.16 -1.81 -0.10 0.00 0.00 174.94 173.25 2gyc s ASP 90 N -0.92 6.18 0.08 3.58 1.11 -0.63 -2.92 116.67 123.14 2gyc s ASP 90 Ca 0.04 0.26 0.01 0.00 0.18 0.00 0.00 52.55 53.03 2gyc s ASP 90 Cb -0.07 -1.88 -0.04 0.00 1.07 0.00 0.00 42.92 41.99 2gyc s ASP 90 CO 0.01 0.23 -0.05 -0.36 1.18 0.00 0.00 175.17 176.18 2gyc s PHE 91 N -1.36 0.74 -0.04 4.23 0.08 -0.46 -1.89 117.98 119.28 2gyc s PHE 91 Ca 0.29 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 56.39 2gyc s PHE 91 Cb -0.13 -0.46 0.03 0.00 -0.57 0.00 0.00 43.02 41.89 2gyc s PHE 91 CO 0.21 -0.23 0.00 0.54 -0.10 0.00 0.00 175.22 175.64 2gyc s VAL 92 N -3.64 0.21 0.28 -0.44 0.11 -0.48 -2.12 120.40 114.32 2gyc s VAL 92 Ca 0.09 0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.93 2gyc s VAL 92 Cb 0.06 -0.32 -0.12 0.00 -1.53 0.00 0.00 36.38 34.46 2gyc s VAL 92 CO -0.06 0.17 1.47 0.54 -3.33 0.00 0.00 175.10 173.88 2gyc n ARG 93 N 4.31 2.36 0.00 1.54 1.74 -0.23 0.02 116.66 126.40 2gyc n ARG 93 Ca -0.23 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 2gyc n ARG 93 Cb 0.50 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 2gyc n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11