#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gpi s ASN 2 N 0.00 4.86 0.00 1.61 2.47 -1.26 -5.23 114.94 117.39 2gpi s ASN 2 Ca 0.00 -1.80 0.29 0.00 0.42 0.00 0.00 52.86 51.77 2gpi s ASN 2 Cb 0.00 -1.68 1.34 0.00 -1.45 0.00 0.00 41.25 39.46 2gpi s ASN 2 CO 0.00 -0.36 1.93 0.00 -3.72 0.00 0.00 177.10 174.95 2gpi n GLN 3 N 4.45 0.63 -2.63 0.43 1.13 -1.26 -4.94 117.38 115.20 2gpi n GLN 3 Ca -0.04 -0.16 -0.19 0.00 -1.94 0.00 0.00 57.00 54.67 2gpi n GLN 3 Cb 0.42 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.28 2gpi n GLN 3 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2gpi n SER 4 N -1.05 -5.56 -4.60 1.08 7.64 -1.26 -4.89 113.62 104.98 2gpi n SER 4 Ca 0.15 -0.13 -0.43 0.00 1.01 0.00 0.00 58.87 59.47 2gpi n SER 4 Cb 0.26 -4.51 -0.03 0.00 -1.01 0.00 0.00 64.21 58.92 2gpi n SER 4 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2gpi s ILE 5 N -3.02 4.42 -0.12 0.44 1.01 -1.26 -4.40 121.20 118.26 2gpi s ILE 5 Ca 0.13 1.21 -0.03 0.00 0.00 0.00 0.00 60.65 61.95 2gpi s ILE 5 Cb -0.06 -4.46 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 2gpi s ILE 5 CO 0.16 -0.75 -0.01 -0.63 0.00 0.00 0.00 174.94 173.70 2gpi s ILE 6 N 3.90 4.15 -0.36 2.92 1.01 -0.25 -4.92 121.20 127.64 2gpi s ILE 6 Ca 0.43 -0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.62 2gpi s ILE 6 Cb -0.10 -2.79 -0.00 0.00 0.01 0.00 0.00 42.46 39.58 2gpi s ILE 6 CO 0.24 0.54 0.46 -0.36 0.00 0.00 0.00 174.94 175.82 2gpi s PHE 7 N -0.22 3.18 -2.50 3.97 0.08 -1.26 0.03 117.98 121.26 2gpi s PHE 7 Ca 0.05 0.02 0.23 0.00 0.12 0.00 0.00 56.93 57.35 2gpi s PHE 7 Cb -0.13 -2.86 0.62 0.00 -0.57 0.00 0.00 43.02 40.08 2gpi s PHE 7 CO 0.02 -0.54 1.49 0.25 -0.10 0.00 0.00 175.22 176.34 2gpi n THR 8 N 5.39 0.21 -2.69 0.64 -2.24 -0.66 -4.96 114.28 109.97 2gpi n THR 8 Ca -0.06 -0.46 -0.19 0.00 -2.27 0.00 0.00 64.05 61.06 2gpi n THR 8 Cb 0.49 0.76 0.02 0.00 -2.10 0.00 0.00 70.33 69.49 2gpi n THR 8 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gpi n GLU 9 N 0.79 -3.18 -2.94 -0.78 -0.58 -1.26 -4.95 120.64 107.75 2gpi n GLU 9 Ca 0.17 0.85 -0.43 0.00 -0.42 0.00 0.00 57.16 57.33 2gpi n GLU 9 Cb 0.46 -5.44 -0.05 0.00 -0.57 0.00 0.00 31.44 25.84 2gpi n GLU 9 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2gpi s GLN 10 N -5.30 3.29 -0.30 3.49 -1.52 -1.26 -5.00 119.66 113.06 2gpi s GLN 10 Ca 0.16 -0.40 0.02 0.00 -1.95 0.00 0.00 55.36 53.19 2gpi s GLN 10 Cb -0.07 -4.04 0.09 0.00 -0.22 0.00 0.00 33.01 28.76 2gpi s GLN 10 CO 0.20 -1.35 0.02 -1.17 -0.25 0.00 0.00 175.29 172.73 2gpi s LEU 11 N 3.50 3.51 0.17 2.90 2.96 -1.26 -3.49 118.68 126.97 2gpi s LEU 11 Ca 0.26 -1.71 0.04 0.00 -0.22 0.00 0.00 54.13 52.50 2gpi s LEU 11 Cb -0.14 -1.34 -0.05 0.00 0.50 0.00 0.00 46.19 45.16 2gpi s LEU 11 CO 0.18 -0.33 -0.06 0.42 -1.32 0.00 0.00 176.35 175.24 2gpi s THR 12 N 1.21 1.03 -0.09 3.68 -4.23 -0.42 -4.99 115.64 111.83 2gpi s THR 12 Ca 0.04 -2.03 -0.17 0.00 -1.18 0.00 0.00 61.69 58.35 2gpi s THR 12 Cb -0.19 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.62 2gpi s THR 12 CO -0.11 -0.62 0.46 0.86 -0.54 0.00 0.00 174.62 174.66 2gpi s TRP 13 N -3.42 3.57 -0.43 3.99 -0.11 -1.26 -0.07 118.94 121.22 2gpi s TRP 13 Ca 0.20 0.91 -0.09 0.00 1.22 0.00 0.00 56.10 58.34 2gpi s TRP 13 Cb 0.04 -2.49 0.08 0.00 -1.50 0.00 0.00 33.47 29.61 2gpi s TRP 13 CO 0.02 0.29 0.27 0.34 -4.62 0.00 0.00 176.95 173.25 2gpi s ASP 14 N 0.19 5.66 0.50 5.86 -1.08 -0.02 -4.92 116.67 122.88 2gpi s ASP 14 Ca 0.25 -1.54 0.27 0.00 -0.52 0.00 0.00 52.55 51.01 2gpi s ASP 14 Cb -0.16 -2.00 1.32 0.00 -1.46 0.00 0.00 42.92 40.63 2gpi s ASP 14 CO 0.11 -0.56 2.01 -0.37 0.52 0.00 0.00 175.17 176.88 2gpi h VAL 15 N 6.07 0.55 -0.39 1.11 -1.51 -1.97 0.10 116.25 120.21 2gpi h VAL 15 Ca -0.23 -0.68 -0.13 0.00 -1.23 0.00 0.00 66.70 64.43 2gpi h VAL 15 Cb 1.08 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 2gpi h VAL 15 CO 0.77 0.14 -0.27 -0.61 -1.23 0.00 0.00 177.57 176.38 2gpi h GLN 16 N 0.00 0.81 -0.00 5.19 5.75 -1.96 -3.16 115.11 121.74 2gpi h GLN 16 Ca -0.00 -0.36 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 2gpi h GLN 16 Cb 0.44 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.97 2gpi h GLN 16 CO 0.02 0.98 -0.79 1.28 -2.65 0.00 0.00 178.83 177.68 2gpi n LEU 17 N -4.09 0.95 -3.61 -2.39 4.77 -1.14 -5.01 117.00 106.49 2gpi n LEU 17 Ca -0.00 -0.53 -0.27 0.00 -0.03 0.00 0.00 56.01 55.17 2gpi n LEU 17 Cb 0.46 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2gpi n LEU 17 CO 0.46 0.23 -0.04 -1.20 -1.33 0.00 0.00 177.39 175.50 2gpi n SER 18 N -1.26 -5.61 -3.84 -1.43 7.64 0.33 -4.79 113.62 104.67 2gpi n SER 18 Ca 0.04 -0.91 -0.11 0.00 1.01 0.00 0.00 58.87 58.90 2gpi n SER 18 Cb 0.29 -3.51 -0.09 0.00 -1.01 0.00 0.00 64.21 59.90 2gpi n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gpi s ALA 19 N -3.37 -0.43 -0.01 -0.43 0.00 -1.03 -0.95 121.76 115.54 2gpi s ALA 19 Ca 0.39 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 2gpi s ALA 19 Cb -0.13 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2gpi s ALA 19 CO 0.85 -0.28 1.13 0.42 0.00 0.00 0.00 175.76 177.88 2gpi s ILE 20 N -1.83 4.39 -0.24 0.00 -1.09 -0.29 -0.84 121.20 121.30 2gpi s ILE 20 Ca -0.11 1.71 -0.10 0.00 -2.23 0.00 0.00 60.65 59.92 2gpi s ILE 20 Cb -0.05 -4.10 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 2gpi s ILE 20 CO 0.00 0.07 0.15 -2.28 -1.23 0.00 0.00 174.94 171.65 2gpi s HIS 21 N 1.53 3.28 0.14 3.97 5.65 0.90 -1.38 115.29 129.38 2gpi s HIS 21 Ca 0.55 0.14 0.04 0.00 0.25 0.00 0.00 55.06 56.04 2gpi s HIS 21 Cb -0.25 -2.26 -0.04 0.00 -1.18 0.00 0.00 32.58 28.85 2gpi s HIS 21 CO 0.25 0.01 -0.10 -0.59 -0.65 0.00 0.00 174.74 173.67 2gpi s PHE 22 N 1.12 1.19 -0.04 3.88 -0.71 0.18 -1.30 117.98 122.31 2gpi s PHE 22 Ca 0.07 -0.78 0.07 0.00 -1.04 0.00 0.00 56.93 55.25 2gpi s PHE 22 Cb -0.14 -0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 41.03 2gpi s PHE 22 CO 0.05 0.04 -0.24 0.95 -1.34 0.00 0.00 175.22 174.68 2gpi s THR 23 N -3.31 2.19 0.32 -4.49 -4.23 -1.23 -0.64 115.64 104.26 2gpi s THR 23 Ca 0.15 -1.04 0.10 0.00 -1.18 0.00 0.00 61.69 59.72 2gpi s THR 23 Cb 0.03 -1.78 -0.06 0.00 1.34 0.00 0.00 72.50 72.02 2gpi s THR 23 CO -0.00 0.58 -0.13 0.00 -0.54 0.00 0.00 174.62 174.53 2gpi s ALA 24 N -0.49 2.82 -0.08 3.99 0.00 -0.29 -1.65 121.76 126.06 2gpi s ALA 24 Ca 0.06 -2.00 -0.10 0.00 0.00 0.00 0.00 51.96 49.92 2gpi s ALA 24 Cb -0.11 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.94 2gpi s ALA 24 CO 0.01 0.13 0.26 -1.14 0.00 0.00 0.00 175.76 175.02 2gpi s GLN 25 N -3.59 0.37 -0.05 0.00 0.74 0.10 -0.48 119.66 116.76 2gpi s GLN 25 Ca 0.31 0.24 -0.01 0.00 0.05 0.00 0.00 55.36 55.95 2gpi s GLN 25 Cb 0.00 0.17 0.03 0.00 1.10 0.00 0.00 33.01 34.31 2gpi s GLN 25 CO 0.15 -0.06 0.01 -1.14 -0.55 0.00 0.00 175.29 173.71 2gpi s GLN 26 N -0.17 0.38 -1.46 1.67 -0.44 -1.26 -1.10 119.66 117.28 2gpi s GLN 26 Ca -0.03 0.15 -0.00 0.00 -2.50 0.00 0.00 55.36 52.98 2gpi s GLN 26 Cb -0.03 -0.74 0.00 0.00 -1.64 0.00 0.00 33.01 30.61 2gpi s GLN 26 CO 0.01 -0.26 0.28 1.04 0.50 0.00 0.00 175.29 176.86 2gpi n GLN 27 N 4.87 -2.47 -1.19 1.67 6.02 -1.26 -4.76 117.38 120.27 2gpi n GLN 27 Ca -0.12 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2gpi n GLN 27 Cb 0.50 -4.21 0.00 0.00 1.02 0.00 0.00 30.24 27.55 2gpi n GLN 27 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gpi n GLY 28 N -2.18 0.80 3.06 1.08 0.00 -1.26 -5.24 105.19 101.45 2gpi n GLY 28 Ca -0.31 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2gpi n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gpi s VAL 30 N -2.66 -0.01 -0.25 1.61 1.01 -1.26 -5.11 120.40 113.73 2gpi s VAL 30 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2gpi s VAL 30 Cb 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 36.38 36.13 2gpi s VAL 30 CO 0.00 0.02 -0.11 -0.63 0.00 0.00 0.00 175.10 174.38 2gpi s ILE 31 N 0.44 2.25 -0.05 2.22 1.01 0.37 -4.97 121.20 122.47 2gpi s ILE 31 Ca -0.03 -1.50 -0.30 0.00 0.00 0.00 0.00 60.65 58.83 2gpi s ILE 31 Cb -0.04 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2gpi s ILE 31 CO -0.02 0.05 1.18 -1.81 0.00 0.00 0.00 174.94 174.34 2gpi s ASP 32 N 1.15 7.07 0.15 3.58 1.01 -1.26 -1.14 116.67 127.22 2gpi s ASP 32 Ca -0.06 1.81 0.11 0.00 0.71 0.00 0.00 52.55 55.12 2gpi s ASP 32 Cb -0.19 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 2gpi s ASP 32 CO -0.06 -0.56 -0.25 0.00 0.21 0.00 0.00 175.17 174.51 2gpi s TYR 34 N -1.24 -0.02 -0.15 0.00 1.51 0.30 -0.64 117.35 117.11 2gpi s TYR 34 Ca 0.16 0.04 -0.00 0.00 -1.01 0.00 0.00 57.07 56.26 2gpi s TYR 34 Cb -0.09 0.00 0.03 0.00 -0.11 0.00 0.00 41.96 41.79 2gpi s TYR 34 CO 0.07 -0.02 -0.08 -1.50 -1.11 0.00 0.00 175.55 172.91 2gpi s ILE 35 N -0.06 1.20 0.71 2.71 2.07 -0.48 -0.81 121.20 126.55 2gpi s ILE 35 Ca -0.01 -0.54 -0.14 0.00 -1.41 0.00 0.00 60.65 58.56 2gpi s ILE 35 Cb -0.01 -1.27 0.03 0.00 0.13 0.00 0.00 42.46 41.34 2gpi s ILE 35 CO 0.00 0.27 1.12 -0.83 -1.91 0.00 0.00 174.94 173.59 2gpi s GLY 36 N 1.62 2.02 0.18 1.50 0.00 -1.26 -1.14 107.32 110.23 2gpi s GLY 36 Ca 0.03 0.51 -0.18 0.00 0.00 0.00 0.00 44.72 45.08 2gpi s GLY 36 CO -0.08 0.87 1.63 -1.61 0.00 0.00 0.00 173.10 173.91 2gpi h GLN 37 N -0.41 -0.08 -0.58 2.90 4.15 -1.35 -1.65 115.11 118.09 2gpi h GLN 37 Ca -0.46 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 58.91 2gpi h GLN 37 Cb 1.25 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.93 2gpi h GLN 37 CO 0.52 -0.06 0.13 0.87 -1.93 0.00 0.00 178.83 178.37 2gpi h LYS 38 N -0.09 0.90 -0.35 1.69 1.57 -1.92 0.54 116.57 118.91 2gpi h LYS 38 Ca 0.22 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2gpi h LYS 38 Cb 0.42 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2gpi h LYS 38 CO -0.51 0.81 0.20 0.28 -0.57 0.00 0.00 179.45 179.65 2gpi h VAL 39 N 0.86 1.13 -0.54 0.50 2.07 -1.72 -0.79 116.25 117.76 2gpi h VAL 39 Ca 0.18 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 2gpi h VAL 39 Cb 0.32 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2gpi h VAL 39 CO 0.00 0.13 -0.04 0.25 0.02 0.00 0.00 177.57 177.93 2gpi h LEU 40 N 0.44 0.94 -0.30 2.57 5.85 -0.95 -0.69 115.31 123.18 2gpi h LEU 40 Ca 0.12 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2gpi h LEU 40 Cb 0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2gpi h LEU 40 CO -0.02 1.02 0.17 -0.33 -0.34 0.00 0.00 178.44 178.94 2gpi h GLU 41 N 0.87 0.41 -0.37 1.25 5.08 -0.59 -1.03 114.58 120.19 2gpi h GLU 41 Ca 0.15 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2gpi h GLU 41 Cb 0.57 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2gpi h GLU 41 CO 0.03 0.33 0.21 0.45 -1.00 0.00 0.00 179.01 179.04 2gpi h HIS 42 N 0.37 0.49 -0.44 4.33 3.86 -1.05 0.12 115.15 122.83 2gpi h HIS 42 Ca 0.10 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2gpi h HIS 42 Cb 0.04 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 2gpi h HIS 42 CO -0.04 0.37 0.28 1.25 0.86 0.00 0.00 177.93 180.65 2gpi h LEU 43 N 0.47 0.46 0.00 2.43 5.85 -0.95 -2.69 115.31 120.88 2gpi h LEU 43 Ca 0.13 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2gpi h LEU 43 Cb 0.03 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2gpi h LEU 43 CO -0.02 0.33 -0.11 0.00 -0.34 0.00 0.00 178.44 178.30 2gpi n ALA 44 N -2.24 2.41 -3.70 1.25 0.00 -0.41 -4.94 120.51 112.88 2gpi n ALA 44 Ca 0.02 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 2gpi n ALA 44 Cb 0.05 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.13 2gpi n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gpi n ALA 45 N -1.76 -1.66 -3.51 0.00 0.00 0.34 -5.00 120.51 108.93 2gpi n ALA 45 Ca 0.05 0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 2gpi n ALA 45 Cb 0.42 -3.48 -0.10 0.00 0.00 0.00 0.00 19.45 16.29 2gpi n ALA 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2gpi s GLU 46 N -6.14 0.48 0.20 0.00 2.12 -0.70 -5.05 118.70 109.61 2gpi s GLU 46 Ca 0.31 0.73 -0.26 0.00 0.36 0.00 0.00 54.97 56.12 2gpi s GLU 46 Cb -0.15 0.13 -0.08 0.00 0.26 0.00 0.00 34.13 34.29 2gpi s GLU 46 CO 0.79 -0.11 0.82 0.15 -0.54 0.00 0.00 175.26 176.37 2gpi s LYS 47 N 0.80 4.59 -0.20 4.30 1.02 -1.26 -4.29 119.74 124.70 2gpi s LYS 47 Ca -0.05 1.20 -0.14 0.00 0.02 0.00 0.00 55.97 57.01 2gpi s LYS 47 Cb -0.05 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2gpi s LYS 47 CO -0.06 0.51 0.29 0.42 -0.92 0.00 0.00 175.35 175.60 2gpi s ILE 48 N -1.24 5.28 0.00 2.17 1.01 -1.26 -4.95 121.20 122.21 2gpi s ILE 48 Ca 0.39 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.54 2gpi s ILE 48 Cb -0.22 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2gpi s ILE 48 CO 0.26 0.33 0.51 -0.46 0.00 0.00 0.00 174.94 175.58 2gpi n ASN 49 N 4.09 0.62 -3.71 3.58 0.23 -1.26 -5.06 115.26 113.75 2gpi n ASN 49 Ca -0.11 -1.24 -0.12 0.00 -0.53 0.00 0.00 54.58 52.57 2gpi n ASN 49 Cb 0.52 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.12 2gpi n ASN 49 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2gpi s ASN 50 N -0.24 -0.51 0.54 0.53 3.84 -1.26 -5.04 114.94 112.80 2gpi s ASN 50 Ca 0.00 0.94 0.25 0.00 0.21 0.00 0.00 52.86 54.26 2gpi s ASN 50 Cb 0.00 0.92 1.52 0.00 -0.55 0.00 0.00 41.25 43.15 2gpi s ASN 50 CO 0.00 -0.17 2.16 0.77 -2.79 0.00 0.00 177.10 177.07 2gpi h SER 51 N 5.83 0.00 -0.36 -4.21 4.64 -1.99 -1.11 113.55 116.35 2gpi h SER 51 Ca -0.29 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.98 2gpi h SER 51 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2gpi h SER 51 CO 0.23 0.06 0.03 -0.08 -0.87 0.00 0.00 176.83 176.20 2gpi h GLU 52 N 0.00 0.61 -0.56 4.77 4.81 -1.99 -1.72 114.58 120.50 2gpi h GLU 52 Ca -0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2gpi h GLU 52 Cb 0.13 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2gpi h GLU 52 CO 0.01 0.70 0.37 0.37 -0.73 0.00 0.00 179.01 179.73 2gpi h GLN 53 N 0.44 0.74 -0.35 1.92 4.15 -1.84 -0.61 115.11 119.57 2gpi h GLN 53 Ca 0.11 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.54 2gpi h GLN 53 Cb 0.41 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 27.87 2gpi h GLN 53 CO 0.01 0.50 -0.00 0.00 -1.93 0.00 0.00 178.83 177.41 2gpi h ALA 54 N 1.20 0.31 -0.51 3.38 0.00 -1.02 0.50 119.26 123.11 2gpi h ALA 54 Ca 0.20 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 2gpi h ALA 54 Cb -0.08 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2gpi h ALA 54 CO -0.04 -0.40 -0.11 1.25 0.00 0.00 0.00 179.25 179.95 2gpi h LEU 55 N 0.10 0.96 -0.95 0.00 5.85 -1.12 -1.69 115.31 118.45 2gpi h LEU 55 Ca 0.17 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2gpi h LEU 55 Cb 0.23 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2gpi h LEU 55 CO -0.28 1.07 0.46 -1.28 -0.34 0.00 0.00 178.44 178.07 2gpi h SER 56 N 0.86 1.08 -0.35 1.25 0.87 -0.54 -0.62 113.55 116.10 2gpi h SER 56 Ca 0.14 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 2gpi h SER 56 Cb 0.65 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2gpi h SER 56 CO 0.05 0.87 -0.10 -0.07 -0.53 0.00 0.00 176.83 177.04 2gpi h LEU 57 N 1.20 0.69 -0.36 2.23 3.38 -0.61 -0.23 115.31 121.62 2gpi h LEU 57 Ca 0.30 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2gpi h LEU 57 Cb 0.04 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 2gpi h LEU 57 CO -0.05 0.91 -0.10 0.15 0.09 0.00 0.00 178.44 179.44 2gpi h PHE 58 N 0.46 -0.21 -0.98 1.13 3.04 -1.00 -2.28 116.94 117.11 2gpi h PHE 58 Ca 0.08 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.07 2gpi h PHE 58 Cb 0.62 0.15 -0.05 0.00 2.56 0.00 0.00 35.95 39.23 2gpi h PHE 58 CO 0.05 -0.16 0.63 0.93 -2.02 0.00 0.00 178.31 177.74 2gpi h GLU 59 N -0.01 1.29 -0.72 1.11 4.39 -0.83 0.57 114.58 120.38 2gpi h GLU 59 Ca 0.17 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 59.84 2gpi h GLU 59 Cb 0.27 -0.29 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 2gpi h GLU 59 CO -0.37 0.87 0.48 0.37 -1.16 0.00 0.00 179.01 179.19 2gpi h GLN 60 N 1.33 0.75 -0.16 2.33 4.15 -0.58 -2.67 115.11 120.27 2gpi h GLN 60 Ca 0.36 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.73 2gpi h GLN 60 Cb -0.13 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.39 2gpi h GLN 60 CO -0.07 0.50 -0.00 1.19 -1.93 0.00 0.00 178.83 178.51 2gpi n PHE 61 N -4.48 0.56 -0.10 3.99 3.72 -0.78 -4.83 117.46 115.54 2gpi n PHE 61 Ca 0.10 -0.94 -0.06 0.00 -0.05 0.00 0.00 57.45 56.51 2gpi n PHE 61 Cb 0.21 -0.25 0.01 0.00 -0.94 0.00 0.00 39.48 38.50 2gpi n PHE 61 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2gpi h ARG 62 N 1.07 -0.07 -0.04 -1.08 2.43 0.50 -0.20 114.38 116.98 2gpi h ARG 62 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 2gpi h ARG 62 Cb 1.27 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 2gpi h ARG 62 CO 0.13 -0.05 -0.58 0.74 -1.51 0.00 0.00 179.97 178.71 2gpi h PHE 63 N -0.07 0.16 -0.44 2.20 0.04 -1.85 0.10 116.94 117.08 2gpi h PHE 63 Ca 0.18 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.82 2gpi h PHE 63 Cb 0.34 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 2gpi h PHE 63 CO -0.37 0.68 0.01 -0.44 -0.60 0.00 0.00 178.31 177.59 2gpi h ASP 64 N 0.10 0.76 -0.03 2.17 3.32 -1.77 -0.85 116.42 120.12 2gpi h ASP 64 Ca -0.00 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 2gpi h ASP 64 Cb 1.05 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 2gpi h ASP 64 CO 0.08 0.88 -0.00 0.40 -1.72 0.00 0.00 179.24 178.88 2gpi h ILE 65 N 0.62 1.27 -0.21 0.35 2.04 -0.73 -2.52 117.51 118.34 2gpi h ILE 65 Ca 0.13 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 65.11 2gpi h ILE 65 Cb 0.48 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 2gpi h ILE 65 CO 0.02 0.21 -0.18 -0.33 0.00 0.00 0.00 178.15 177.88 2gpi h GLU 66 N -0.28 0.36 -0.42 2.37 5.08 -0.85 -0.99 114.58 119.84 2gpi h GLU 66 Ca 0.01 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2gpi h GLU 66 Cb 0.35 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2gpi h GLU 66 CO 0.00 0.53 0.22 1.49 -1.00 0.00 0.00 179.01 180.25 2gpi h GLU 67 N 0.33 0.43 -0.53 2.33 4.81 -1.09 0.11 114.58 120.98 2gpi h GLU 67 Ca 0.06 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 2gpi h GLU 67 Cb 0.51 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2gpi h GLU 67 CO 0.03 0.28 0.01 0.37 -0.73 0.00 0.00 179.01 178.98 2gpi h GLN 68 N 0.44 0.92 -0.89 1.92 5.75 -0.99 -2.01 115.11 120.24 2gpi h GLN 68 Ca 0.18 -0.29 -0.02 0.00 -0.15 0.00 0.00 58.65 58.37 2gpi h GLN 68 Cb 0.07 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 2gpi h GLN 68 CO -0.11 0.94 0.49 0.00 -2.65 0.00 0.00 178.83 177.50 2gpi h ALA 69 N 0.95 1.14 -0.77 3.38 0.00 -0.77 -0.59 119.26 122.61 2gpi h ALA 69 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2gpi h ALA 69 Cb 0.51 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2gpi h ALA 69 CO 0.02 0.65 0.42 1.49 0.00 0.00 0.00 179.25 181.84 2gpi h GLU 70 N 1.25 1.07 -0.32 0.00 4.22 -0.52 -0.44 114.58 119.84 2gpi h GLU 70 Ca 0.31 -0.13 -0.03 0.00 0.08 0.00 0.00 59.36 59.60 2gpi h GLU 70 Cb 0.02 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2gpi h GLU 70 CO -0.05 0.80 0.10 -0.22 -2.18 0.00 0.00 179.01 177.45 2gpi h LYS 71 N 1.07 0.50 -0.77 1.92 3.64 -0.94 -1.02 116.57 120.97 2gpi h LYS 71 Ca 0.27 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2gpi h LYS 71 Cb 0.03 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 2gpi h LYS 71 CO -0.04 0.54 0.51 -0.07 -2.27 0.00 0.00 179.45 178.11 2gpi h LEU 72 N 0.36 0.88 -0.29 5.20 3.38 -0.74 -0.50 115.31 123.59 2gpi h LEU 72 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2gpi h LEU 72 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2gpi h LEU 72 CO -0.00 0.64 0.19 0.40 0.09 0.00 0.00 178.44 179.75 2gpi h ILE 73 N 1.04 1.09 -0.35 1.22 2.04 -0.82 -0.04 117.51 121.70 2gpi h ILE 73 Ca 0.28 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2gpi h ILE 73 Cb -0.12 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2gpi h ILE 73 CO -0.06 0.09 0.22 -0.33 0.00 0.00 0.00 178.15 178.06 2gpi h GLU 74 N 0.39 0.46 -0.02 2.37 5.08 -0.68 -1.53 114.58 120.64 2gpi h GLU 74 Ca 0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2gpi h GLU 74 Cb -0.01 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2gpi h GLU 74 CO -0.02 0.32 0.00 1.04 -1.00 0.00 0.00 179.01 179.34 2gpi n GLN 75 N -4.47 1.34 -2.84 2.33 6.02 -0.24 -4.93 117.38 114.59 2gpi n GLN 75 Ca 0.02 -0.50 -0.21 0.00 -0.01 0.00 0.00 57.00 56.30 2gpi n GLN 75 Cb 0.07 -1.46 0.02 0.00 1.02 0.00 0.00 30.24 29.90 2gpi n GLN 75 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2gpi n GLU 76 N -0.37 -3.96 -1.58 -1.09 1.02 -0.58 -4.89 120.64 109.19 2gpi n GLU 76 Ca 0.20 0.88 -0.30 0.00 -0.02 0.00 0.00 57.16 57.91 2gpi n GLU 76 Cb 0.23 -5.58 -0.05 0.00 -0.02 0.00 0.00 31.44 26.01 2gpi n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gpi n ALA 77 N -3.13 6.66 -2.12 0.62 0.00 -0.10 -4.92 120.51 117.52 2gpi n ALA 77 Ca -0.13 -3.27 -0.35 0.00 0.00 0.00 0.00 53.44 49.69 2gpi n ALA 77 Cb 0.63 -2.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 2gpi n ALA 77 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2gpi s PHE 78 N -0.85 3.55 0.83 0.00 0.40 -1.26 -4.62 117.98 116.03 2gpi s PHE 78 Ca 0.59 1.32 -0.07 0.00 -0.60 0.00 0.00 56.93 58.17 2gpi s PHE 78 Cb 0.29 -2.58 0.17 0.00 0.51 0.00 0.00 43.02 41.40 2gpi s PHE 78 CO -0.14 0.25 1.15 0.16 0.70 0.00 0.00 175.22 177.34 2gpi s ASP 79 N -1.88 3.74 0.00 1.36 1.47 0.15 -4.90 116.67 116.61 2gpi s ASP 79 Ca 0.47 -0.14 0.13 0.00 1.18 0.00 0.00 52.55 54.19 2gpi s ASP 79 Cb -0.14 -0.06 0.74 0.00 -0.34 0.00 0.00 42.92 43.13 2gpi s ASP 79 CO 0.20 -2.29 1.22 1.33 0.68 0.00 0.00 175.17 176.31 2gpi n VAL 80 N -3.26 0.13 -0.33 2.11 0.24 -1.26 -1.63 118.33 114.33 2gpi n VAL 80 Ca 0.16 0.03 0.06 0.00 -2.04 0.00 0.00 64.34 62.55 2gpi n VAL 80 Cb 0.60 -0.83 0.16 0.00 -1.47 0.00 0.00 33.84 32.30 2gpi n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gpi n GLN 81 N -1.06 2.86 -1.01 7.34 6.02 -1.26 -4.98 117.38 125.30 2gpi n GLN 81 Ca 0.09 -2.15 -0.00 0.00 -0.01 0.00 0.00 57.00 54.92 2gpi n GLN 81 Cb 0.06 -1.35 -0.00 0.00 1.02 0.00 0.00 30.24 29.96 2gpi n GLN 81 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gpi n GLY 82 N 0.18 0.46 3.98 1.08 0.00 -0.65 -5.04 105.19 105.21 2gpi n GLY 82 Ca 0.12 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 2gpi n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gpi s HIS 83 N -1.99 2.89 -0.20 1.61 3.76 -1.26 -4.67 115.29 115.43 2gpi s HIS 83 Ca 0.00 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 2gpi s HIS 83 Cb 0.00 -2.21 -0.00 0.00 1.11 0.00 0.00 32.58 31.47 2gpi s HIS 83 CO 0.00 -0.24 -0.09 0.42 -0.85 0.00 0.00 174.74 173.99 2gpi s ILE 84 N -2.31 3.04 -0.26 0.60 -1.09 -0.36 -0.67 121.20 120.15 2gpi s ILE 84 Ca 0.51 -0.61 -0.05 0.00 -2.23 0.00 0.00 60.65 58.26 2gpi s ILE 84 Cb -0.09 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.44 2gpi s ILE 84 CO 0.32 0.46 0.02 -1.10 -1.23 0.00 0.00 174.94 173.41 2gpi s GLN 85 N 1.30 3.21 -0.41 2.79 -0.21 -1.26 -0.54 119.66 124.53 2gpi s GLN 85 Ca 0.04 -0.76 -0.25 0.00 0.02 0.00 0.00 55.36 54.41 2gpi s GLN 85 Cb -0.14 -3.21 0.02 0.00 1.00 0.00 0.00 33.01 30.68 2gpi s GLN 85 CO -0.04 -0.33 0.90 0.08 -2.12 0.00 0.00 175.29 173.77 2gpi s VAL 86 N 1.48 4.56 -0.04 1.09 1.01 0.01 -4.88 120.40 123.64 2gpi s VAL 86 Ca 0.04 0.93 0.16 0.00 0.00 0.00 0.00 61.98 63.10 2gpi s VAL 86 Cb -0.16 -4.36 -0.24 0.00 0.00 0.00 0.00 36.38 31.62 2gpi s VAL 86 CO 0.00 -0.65 0.31 -0.62 0.00 0.00 0.00 175.10 174.13 2gpi n GLU 87 N 6.88 0.64 -3.75 2.72 1.02 -1.26 -4.37 120.64 122.53 2gpi n GLU 87 Ca 0.06 -0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 2gpi n GLU 87 Cb 0.48 -1.38 -0.12 0.00 -0.02 0.00 0.00 31.44 30.40 2gpi n GLU 87 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2gpi s ARG 88 N -3.00 0.25 -0.04 3.49 3.00 -1.26 -4.94 118.95 116.45 2gpi s ARG 88 Ca -0.06 0.47 0.00 0.00 0.00 0.00 0.00 55.73 56.15 2gpi s ARG 88 Cb 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 34.95 35.05 2gpi s ARG 88 CO 0.66 -0.12 -0.01 0.08 0.00 0.00 0.00 175.30 175.91 2gpi s VAL 89 N 0.85 0.27 0.00 3.52 1.01 -1.26 -4.99 120.40 119.79 2gpi s VAL 89 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2gpi s VAL 89 Cb -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2gpi s VAL 89 CO -0.05 0.17 0.00 0.47 0.00 0.00 0.00 175.10 175.69