#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gya s GLU 2 N 0.00 1.58 0.38 -1.58 -1.05 -1.26 -5.18 118.70 111.59 1gya s GLU 2 Ca 0.00 -1.00 0.08 0.00 -0.15 0.00 0.00 54.97 53.90 1gya s GLU 2 Cb 0.00 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.19 1gya s GLU 2 CO 0.00 -0.69 0.18 0.42 0.95 0.00 0.00 175.26 176.12 1gya s ILE 3 N -3.93 2.63 0.29 1.83 1.01 -1.26 -5.14 121.20 116.64 1gya s ILE 3 Ca 0.13 -1.67 0.04 0.00 0.00 0.00 0.00 60.65 59.15 1gya s ILE 3 Cb -0.03 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 1gya s ILE 3 CO 0.04 -0.08 0.25 0.42 0.00 0.00 0.00 174.94 175.57 1gya s THR 4 N -2.51 0.00 -0.32 2.92 -4.23 -1.26 -5.07 115.64 105.17 1gya s THR 4 Ca 0.40 -1.96 0.14 0.00 -1.18 0.00 0.00 61.69 59.09 1gya s THR 4 Cb 0.00 -2.50 0.47 0.00 1.34 0.00 0.00 72.50 71.81 1gya s THR 4 CO 0.23 0.00 1.09 0.59 -0.54 0.00 0.00 174.62 175.99 1gya n ASN 5 N -1.13 2.99 -4.69 3.99 3.02 -1.26 -5.07 115.26 113.11 1gya n ASN 5 Ca 0.05 -2.97 -0.28 0.00 -0.03 0.00 0.00 54.58 51.36 1gya n ASN 5 Cb 0.63 -0.46 -0.09 0.00 -0.61 0.00 0.00 39.78 39.26 1gya n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gya s ALA 6 N -3.52 3.52 -0.25 5.41 0.00 -1.26 -3.18 121.76 122.47 1gya s ALA 6 Ca 0.37 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.49 1gya s ALA 6 Cb 0.39 -0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.52 1gya s ALA 6 CO -0.03 -0.13 -0.04 -0.51 0.00 0.00 0.00 175.76 175.04 1gya s LEU 7 N -3.82 2.92 -0.34 0.00 1.43 -0.95 -4.96 118.68 112.95 1gya s LEU 7 Ca 0.32 -1.35 -0.30 0.00 -1.03 0.00 0.00 54.13 51.77 1gya s LEU 7 Cb 0.06 -1.26 -0.08 0.00 0.03 0.00 0.00 46.19 44.94 1gya s LEU 7 CO 0.17 -0.26 2.28 -0.62 0.23 0.00 0.00 176.35 178.15 1gya n GLU 8 N 4.60 1.45 -4.74 1.70 -0.58 -1.26 -4.01 120.64 117.80 1gya n GLU 8 Ca -0.10 0.33 -0.33 0.00 -0.42 0.00 0.00 57.16 56.64 1gya n GLU 8 Cb 0.43 -3.01 -0.13 0.00 -0.57 0.00 0.00 31.44 28.17 1gya n GLU 8 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1gya s THR 9 N 8.92 3.36 0.01 2.62 -4.23 -1.23 -5.06 115.64 120.02 1gya s THR 9 Ca 1.04 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 60.97 1gya s THR 9 Cb -0.48 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 1gya s THR 9 CO 0.38 0.58 -0.05 0.26 -0.54 0.00 0.00 174.62 175.24 1gya s TRP 10 N -0.50 0.43 -0.28 3.99 0.52 -1.26 -0.36 118.94 121.48 1gya s TRP 10 Ca 0.07 -0.18 -0.18 0.00 0.02 0.00 0.00 56.10 55.83 1gya s TRP 10 Cb -0.12 -0.27 0.08 0.00 -1.15 0.00 0.00 33.47 32.01 1gya s TRP 10 CO 0.02 -0.03 0.71 0.20 0.02 0.00 0.00 176.95 177.87 1gya s GLY 11 N -0.47 -0.59 0.75 0.98 0.00 -0.90 -4.88 107.32 102.20 1gya s GLY 11 Ca -0.02 2.38 -0.14 0.00 0.00 0.00 0.00 44.72 46.95 1gya s GLY 11 CO -0.00 2.28 1.18 0.00 0.00 0.00 0.00 173.10 176.56 1gya s ALA 12 N 1.37 2.09 0.29 3.20 0.00 -1.26 -3.57 121.76 123.88 1gya s ALA 12 Ca -0.08 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1gya s ALA 12 Cb -0.05 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 1gya s ALA 12 CO -0.16 -1.91 1.53 -0.51 0.00 0.00 0.00 175.76 174.71 1gya s LEU 13 N -5.34 4.36 -0.09 0.00 1.02 -1.24 -2.53 118.68 114.86 1gya s LEU 13 Ca 0.72 2.86 -0.00 0.00 0.02 0.00 0.00 54.13 57.73 1gya s LEU 13 Cb -0.27 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.31 1gya s LEU 13 CO 0.47 -0.83 0.03 0.61 0.02 0.00 0.00 176.35 176.65 1gya n GLY 14 N 1.97 0.59 2.84 -3.19 0.00 -1.10 -4.82 105.19 101.48 1gya n GLY 14 Ca 0.07 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 1gya n GLY 14 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gya s GLN 15 N -4.54 1.12 0.08 1.61 2.00 -1.05 -4.67 119.66 114.22 1gya s GLN 15 Ca 0.01 -0.32 -0.30 0.00 -2.00 0.00 0.00 55.36 52.75 1gya s GLN 15 Cb -0.01 -1.74 -0.05 0.00 0.80 0.00 0.00 33.01 32.01 1gya s GLN 15 CO 0.02 -0.42 1.02 0.34 -0.50 0.00 0.00 175.29 175.75 1gya s ASP 16 N 1.76 7.37 0.42 6.67 -1.08 -1.26 -3.47 116.67 127.08 1gya s ASP 16 Ca 0.02 1.83 0.03 0.00 -0.52 0.00 0.00 52.55 53.92 1gya s ASP 16 Cb -0.15 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 1gya s ASP 16 CO -0.07 -0.20 0.07 0.27 0.52 0.00 0.00 175.17 175.76 1gya s ILE 17 N 0.38 1.00 -0.08 4.11 -0.00 -0.42 -4.97 121.20 121.21 1gya s ILE 17 Ca 0.50 -2.00 0.01 0.00 -0.00 0.00 0.00 60.65 59.16 1gya s ILE 17 Cb -0.24 -2.43 0.02 0.00 -0.00 0.00 0.00 42.46 39.80 1gya s ILE 17 CO 0.30 0.00 -0.10 0.54 -0.00 0.00 0.00 174.94 175.68 1gya s ASN 18 N -3.67 1.91 -0.68 4.36 4.22 -1.26 -0.99 114.94 118.83 1gya s ASN 18 Ca 0.22 -0.30 -0.27 0.00 -2.14 0.00 0.00 52.86 50.36 1gya s ASN 18 Cb 0.04 -0.83 0.03 0.00 1.28 0.00 0.00 41.25 41.77 1gya s ASN 18 CO 0.12 -0.03 1.26 -0.76 -2.04 0.00 0.00 177.10 175.65 1gya s LEU 19 N 1.06 3.27 0.00 3.54 1.43 0.10 -4.84 118.68 123.23 1gya s LEU 19 Ca -0.07 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1gya s LEU 19 Cb -0.15 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1gya s LEU 19 CO -0.01 -1.72 0.00 0.47 0.23 0.00 0.00 176.35 175.32 1gya n ASP 20 N 9.12 0.00 -3.54 2.29 8.00 -1.26 -1.27 116.55 129.89 1gya n ASP 20 Ca 0.05 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.41 1gya n ASP 20 Cb 0.49 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.54 1gya n ASP 20 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1gya s ILE 21 N 0.00 0.00 0.77 0.53 -1.16 -1.26 -4.66 121.20 115.42 1gya s ILE 21 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 60.65 60.05 1gya s ILE 21 Cb 0.00 -1.00 0.04 0.00 0.61 0.00 0.00 42.46 42.11 1gya s ILE 21 CO 0.00 0.00 -0.10 -2.65 -2.81 0.00 0.00 174.94 169.38 1gya n PRO 22 N 0.68 -0.88 -0.69 3.50 -0.02 -1.26 -4.85 135.00 131.48 1gya n PRO 22 Ca -0.15 -0.26 -0.13 0.00 -2.02 0.00 0.00 63.50 60.94 1gya n PRO 22 Cb 0.58 -1.19 0.08 0.00 -0.02 0.00 0.00 33.50 32.95 1gya n PRO 22 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1gya n SER 23 N 1.37 3.97 -4.90 2.55 2.88 -1.26 -4.87 113.62 113.37 1gya n SER 23 Ca 0.02 -2.88 -0.31 0.00 -1.33 0.00 0.00 58.87 54.36 1gya n SER 23 Cb 0.25 -0.75 -0.04 0.00 -0.75 0.00 0.00 64.21 62.92 1gya n SER 23 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1gya s PHE 24 N -1.75 3.47 -0.08 0.66 0.40 -1.26 -5.11 117.98 114.31 1gya s PHE 24 Ca 0.30 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.85 1gya s PHE 24 Cb 0.25 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 42.06 1gya s PHE 24 CO 0.05 0.58 -0.02 -0.65 0.70 0.00 0.00 175.22 175.88 1gya s GLN 25 N -2.44 0.83 1.21 0.44 -0.21 -1.26 -5.06 119.66 113.17 1gya s GLN 25 Ca 0.33 0.01 -0.14 0.00 0.02 0.00 0.00 55.36 55.59 1gya s GLN 25 Cb -0.13 -1.15 0.30 0.00 1.00 0.00 0.00 33.01 33.03 1gya s GLN 25 CO 0.26 -0.30 0.93 0.00 -2.12 0.00 0.00 175.29 174.06 1gya n MET 26 N 5.10 -2.73 0.00 2.91 0.00 -1.26 -5.06 117.12 116.08 1gya n MET 26 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 57.70 56.84 1gya n MET 26 Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 33.22 31.61 1gya n MET 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1gya n SER 27 N -4.87 0.00 0.00 3.17 7.64 -1.26 -5.03 113.62 113.27 1gya n SER 27 Ca 0.02 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.02 1gya n SER 27 Cb 0.55 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.96 1gya n SER 27 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1gya n ASP 28 N 0.00 0.55 -0.23 6.43 5.75 -1.26 -4.26 116.55 123.54 1gya n ASP 28 Ca 0.00 -0.28 0.06 0.00 -0.01 0.00 0.00 54.79 54.57 1gya n ASP 28 Cb 0.00 0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.39 1gya n ASP 28 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1gya n ASP 29 N -1.56 1.22 -4.72 -1.12 8.00 -1.26 -4.96 116.55 112.16 1gya n ASP 29 Ca 0.05 -1.11 -0.41 0.00 0.71 0.00 0.00 54.79 54.03 1gya n ASP 29 Cb 0.35 0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 42.00 1gya n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1gya s ILE 30 N -1.76 4.84 0.00 0.53 1.09 -1.26 -2.73 121.20 121.91 1gya s ILE 30 Ca 0.09 1.95 0.00 0.00 -1.10 0.00 0.00 60.65 61.59 1gya s ILE 30 Cb 0.10 -4.27 0.00 0.00 -1.06 0.00 0.00 42.46 37.23 1gya s ILE 30 CO 0.37 0.21 0.00 -0.67 -0.10 0.00 0.00 174.94 174.75 1gya n ASP 31 N 3.68 2.20 -4.57 3.58 2.03 -1.17 -4.87 116.55 117.42 1gya n ASP 31 Ca 0.04 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.05 1gya n ASP 31 Cb 0.51 0.21 -0.10 0.00 -0.72 0.00 0.00 41.12 41.02 1gya n ASP 31 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1gya s ASP 32 N -1.94 4.36 0.12 1.67 1.01 -0.09 -4.79 116.67 117.01 1gya s ASP 32 Ca 0.00 -0.40 0.02 0.00 0.71 0.00 0.00 52.55 52.88 1gya s ASP 32 Cb 0.00 -0.82 -0.04 0.00 1.01 0.00 0.00 42.92 43.07 1gya s ASP 32 CO 0.00 0.18 -0.03 -0.63 0.21 0.00 0.00 175.17 174.90 1gya s ILE 33 N -1.21 0.64 -0.08 0.77 1.09 -1.05 -0.83 121.20 120.53 1gya s ILE 33 Ca 0.21 -1.95 -0.27 0.00 -1.10 0.00 0.00 60.65 57.55 1gya s ILE 33 Cb -0.11 -1.85 0.06 0.00 -1.06 0.00 0.00 42.46 39.50 1gya s ILE 33 CO 0.13 -0.72 0.61 -0.75 -0.10 0.00 0.00 174.94 174.12 1gya s LYS 34 N -3.88 0.93 -0.22 2.79 2.20 0.26 -0.88 119.74 120.94 1gya s LYS 34 Ca 0.17 0.31 -0.03 0.00 -0.36 0.00 0.00 55.97 56.06 1gya s LYS 34 Cb 0.06 0.44 0.11 0.00 -1.51 0.00 0.00 37.83 36.93 1gya s LYS 34 CO -0.02 -0.26 0.28 -1.58 -0.36 0.00 0.00 175.35 173.42 1gya s TRP 35 N -0.91 -0.50 0.30 4.03 0.52 0.66 -1.76 118.94 121.28 1gya s TRP 35 Ca -0.09 0.44 0.08 0.00 0.02 0.00 0.00 56.10 56.54 1gya s TRP 35 Cb -0.02 -0.22 -0.03 0.00 -1.15 0.00 0.00 33.47 32.05 1gya s TRP 35 CO 0.07 -0.66 0.22 -2.00 0.02 0.00 0.00 176.95 174.60 1gya s GLU 36 N 2.41 2.72 -1.12 4.98 2.12 -0.88 -1.94 118.70 126.99 1gya s GLU 36 Ca 0.09 -1.25 -0.15 0.00 0.36 0.00 0.00 54.97 54.02 1gya s GLU 36 Cb -0.16 -2.44 0.16 0.00 0.26 0.00 0.00 34.13 31.95 1gya s GLU 36 CO -0.14 0.22 1.32 0.21 -0.54 0.00 0.00 175.26 176.34 1gya s LYS 37 N -3.90 3.94 0.01 4.30 2.20 -0.85 -2.52 119.74 122.93 1gya s LYS 37 Ca 0.37 -2.35 -0.03 0.00 -0.36 0.00 0.00 55.97 53.60 1gya s LYS 37 Cb -0.06 -5.00 -0.01 0.00 -1.51 0.00 0.00 37.83 31.25 1gya s LYS 37 CO 0.25 -1.75 0.17 0.25 -0.36 0.00 0.00 175.35 173.92 1gya n THR 38 N 4.82 -0.06 0.19 3.43 -2.24 -0.85 0.12 114.28 119.68 1gya n THR 38 Ca 0.32 0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 62.23 1gya n THR 38 Cb 0.45 -0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.25 1gya n THR 38 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1gya h SER 39 N 0.00 -0.41 0.44 3.42 0.87 -1.92 -3.00 113.55 112.95 1gya h SER 39 Ca 0.01 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1gya h SER 39 Cb 0.04 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1gya h SER 39 CO -0.09 -0.10 0.00 0.47 -0.53 0.00 0.00 176.83 176.58 1gya n ASP 40 N -5.20 0.00 -3.97 6.23 8.00 0.12 -4.87 116.55 116.86 1gya n ASP 40 Ca -0.10 0.25 -0.26 0.00 0.71 0.00 0.00 54.79 55.38 1gya n ASP 40 Cb 0.27 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 1gya n ASP 40 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1gya n LYS 41 N -1.38 -3.40 -4.00 -1.24 5.02 -0.10 -4.93 118.16 108.12 1gya n LYS 41 Ca 0.06 0.41 -0.31 0.00 -2.02 0.00 0.00 58.31 56.46 1gya n LYS 41 Cb 0.16 -4.64 -0.15 0.00 -0.02 0.00 0.00 35.03 30.39 1gya n LYS 41 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1gya s LYS 42 N -6.57 1.63 -0.77 1.97 1.02 -1.24 -4.89 119.74 110.89 1gya s LYS 42 Ca 0.10 -2.10 -0.32 0.00 0.02 0.00 0.00 55.97 53.67 1gya s LYS 42 Cb -0.05 -3.24 -0.17 0.00 -0.52 0.00 0.00 37.83 33.84 1gya s LYS 42 CO 0.89 -0.99 2.53 0.36 -0.92 0.00 0.00 175.35 177.21 1gya n LYS 43 N 3.91 0.34 -0.00 1.68 -0.00 -1.26 -2.01 118.16 120.82 1gya n LYS 43 Ca 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 58.31 58.37 1gya n LYS 43 Cb 0.39 -2.03 -0.11 0.00 -0.00 0.00 0.00 35.03 33.29 1gya n LYS 43 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1gya n ILE 44 N 7.47 1.10 -3.68 0.58 -5.35 -0.85 -4.94 119.36 113.69 1gya n ILE 44 Ca 0.56 -0.70 -0.14 0.00 -0.27 0.00 0.00 62.75 62.19 1gya n ILE 44 Cb 0.16 -0.62 -0.08 0.00 -1.74 0.00 0.00 39.64 37.36 1gya n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gya s ALA 45 N -2.90 -1.23 -0.17 -1.28 0.00 -0.82 -4.84 121.76 110.52 1gya s ALA 45 Ca -0.05 1.15 -0.31 0.00 0.00 0.00 0.00 51.96 52.76 1gya s ALA 45 Cb 0.09 -0.47 0.14 0.00 0.00 0.00 0.00 23.12 22.87 1gya s ALA 45 CO 0.83 -0.27 1.09 1.14 0.00 0.00 0.00 175.76 178.55 1gya s GLN 46 N -0.36 0.47 -0.21 0.00 -2.07 -0.78 -0.25 119.66 116.46 1gya s GLN 46 Ca -0.05 0.01 0.02 0.00 -1.82 0.00 0.00 55.36 53.51 1gya s GLN 46 Cb -0.03 0.22 0.04 0.00 -1.09 0.00 0.00 33.01 32.14 1gya s GLN 46 CO 0.03 -0.17 -0.15 0.12 -1.32 0.00 0.00 175.29 173.80 1gya s PHE 47 N -1.62 2.89 -0.22 9.60 2.19 -0.06 -2.36 117.98 128.39 1gya s PHE 47 Ca 0.03 -1.87 -0.16 0.00 0.33 0.00 0.00 56.93 55.27 1gya s PHE 47 Cb -0.01 -1.88 0.06 0.00 -1.31 0.00 0.00 43.02 39.89 1gya s PHE 47 CO -0.03 -0.82 0.56 0.50 1.83 0.00 0.00 175.22 177.26 1gya s ARG 48 N 1.24 0.60 0.31 10.12 3.52 -1.26 -2.54 118.95 130.94 1gya s ARG 48 Ca -0.01 0.92 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 1gya s ARG 48 Cb -0.16 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 1gya s ARG 48 CO -0.09 -0.12 0.00 1.63 -0.81 0.00 0.00 175.30 175.90 1gya n LYS 49 N 3.64 -3.48 -0.77 5.12 5.02 -1.26 -4.43 118.16 122.00 1gya n LYS 49 Ca -0.18 2.54 -0.15 0.00 -2.02 0.00 0.00 58.31 58.50 1gya n LYS 49 Cb 0.57 -2.82 0.08 0.00 -0.02 0.00 0.00 35.03 32.83 1gya n LYS 49 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1gya n GLU 50 N -0.27 1.76 0.00 1.97 4.07 -1.26 -3.80 120.64 123.10 1gya n GLU 50 Ca 0.00 -1.66 0.00 0.00 -0.06 0.00 0.00 57.16 55.44 1gya n GLU 50 Cb 0.00 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.73 1gya n GLU 50 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1gya n LYS 51 N -0.15 5.23 0.00 5.31 4.81 -1.26 -5.05 118.16 127.05 1gya n LYS 51 Ca 0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1gya n LYS 51 Cb 0.92 -0.40 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1gya n LYS 51 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1gya n GLU 52 N -0.75 0.00 -3.29 1.64 0.00 -1.25 -5.19 120.64 111.81 1gya n GLU 52 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.97 1gya n GLU 52 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 1gya n GLU 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1gya n THR 53 N 0.00 0.00 -3.65 6.31 -2.24 -1.26 -4.68 114.28 108.75 1gya n THR 53 Ca 0.00 -1.53 -0.29 0.00 -2.27 0.00 0.00 64.05 59.95 1gya n THR 53 Cb 0.00 -0.04 -0.13 0.00 -2.10 0.00 0.00 70.33 68.06 1gya n THR 53 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1gya s PHE 54 N -1.97 1.67 0.00 4.78 2.19 -1.00 -4.89 117.98 118.77 1gya s PHE 54 Ca 0.16 -2.22 0.00 0.00 0.33 0.00 0.00 56.93 55.19 1gya s PHE 54 Cb -0.01 -1.65 0.00 0.00 -1.31 0.00 0.00 43.02 40.05 1gya s PHE 54 CO 0.10 -0.79 0.06 0.36 1.83 0.00 0.00 175.22 176.78 1gya n LYS 55 N 3.67 0.00 -2.90 10.12 0.00 -1.26 -1.86 118.16 125.93 1gya n LYS 55 Ca 0.09 -0.03 -0.44 0.00 -0.00 0.00 0.00 58.31 57.93 1gya n LYS 55 Cb 0.35 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.03 35.34 1gya n LYS 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1gya s GLU 56 N 0.00 3.90 0.00 -1.58 2.02 -1.26 -4.57 118.70 117.21 1gya s GLU 56 Ca 0.00 -2.22 0.00 0.00 0.02 0.00 0.00 54.97 52.77 1gya s GLU 56 Cb 0.00 -5.06 0.00 0.00 0.10 0.00 0.00 34.13 29.17 1gya s GLU 56 CO 0.00 -1.82 0.00 0.36 0.02 0.00 0.00 175.26 173.82 1gya n LYS 57 N 6.24 0.00 0.04 1.61 2.85 -1.26 -5.03 118.16 122.61 1gya n LYS 57 Ca 0.33 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.54 1gya n LYS 57 Cb 0.45 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.73 1gya n LYS 57 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1gya h ASP 58 N 0.00 0.00 -0.91 -5.58 3.32 -1.89 -3.20 116.42 108.16 1gya h ASP 58 Ca 0.00 0.00 0.24 0.00 0.02 0.00 0.00 57.03 57.29 1gya h ASP 58 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1gya h ASP 58 CO 0.00 0.86 0.63 0.00 -1.72 0.00 0.00 179.24 179.01 1gya h THR 59 N 0.00 0.60 -1.92 0.35 1.03 -1.85 -2.33 112.91 108.79 1gya h THR 59 Ca -0.13 -0.07 -0.20 0.00 -0.01 0.00 0.00 66.41 66.00 1gya h THR 59 Cb 1.78 0.38 -0.30 0.00 -1.07 0.00 0.00 68.15 68.94 1gya h THR 59 CO 0.09 0.04 -0.53 -0.31 -0.01 0.00 0.00 175.52 174.80 1gya s TYR 60 N -5.21 -0.79 0.27 0.00 2.02 -1.24 -2.33 117.35 110.07 1gya s TYR 60 Ca -0.07 0.51 0.07 0.00 -0.37 0.00 0.00 57.07 57.22 1gya s TYR 60 Cb 0.22 -0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.63 1gya s TYR 60 CO 0.78 -0.81 0.19 0.15 -1.57 0.00 0.00 175.55 174.28 1gya s LYS 61 N 2.50 2.81 -0.14 -0.62 1.02 0.99 -4.23 119.74 122.08 1gya s LYS 61 Ca 0.11 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 54.98 1gya s LYS 61 Cb -0.14 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 1gya s LYS 61 CO -0.22 0.34 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.16 1gya s LEU 62 N -3.85 2.11 0.44 3.17 2.96 -1.26 -2.12 118.68 120.13 1gya s LEU 62 Ca 0.34 -0.61 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1gya s LEU 62 Cb -0.07 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1gya s LEU 62 CO 0.25 0.08 0.26 -0.36 -1.32 0.00 0.00 176.35 175.25 1gya s PHE 63 N 0.83 2.45 0.17 5.38 0.08 -0.85 -4.99 117.98 121.05 1gya s PHE 63 Ca -0.07 -0.62 -0.03 0.00 0.12 0.00 0.00 56.93 56.33 1gya s PHE 63 Cb -0.15 -1.99 0.04 0.00 -0.57 0.00 0.00 43.02 40.34 1gya s PHE 63 CO -0.02 0.01 1.43 1.57 -0.10 0.00 0.00 175.22 178.11 1gya h LYS 64 N 1.22 0.50 0.00 0.44 -0.00 -2.01 -3.10 116.57 113.62 1gya h LYS 64 Ca -0.42 -0.38 0.00 0.00 -0.00 0.00 0.00 60.65 59.85 1gya h LYS 64 Cb 1.27 0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.57 1gya h LYS 64 CO 0.65 1.01 0.00 0.27 -0.00 0.00 0.00 179.45 181.38 1gya n ASN 65 N -3.88 0.00 0.00 7.07 0.23 -1.26 -4.83 115.26 112.59 1gya n ASN 65 Ca -0.04 -1.04 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 1gya n ASN 65 Cb 0.69 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.39 1gya n ASN 65 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1gya n GLY 66 N 0.86 0.76 3.91 4.83 0.00 -1.17 -4.85 105.19 109.54 1gya n GLY 66 Ca 0.21 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 1gya n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gya s THR 67 N -2.00 4.97 -0.26 2.61 2.01 -1.26 -4.44 115.64 117.28 1gya s THR 67 Ca 0.00 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 1gya s THR 67 Cb 0.00 -3.84 0.08 0.00 0.01 0.00 0.00 72.50 68.76 1gya s THR 67 CO 0.00 -0.67 0.07 -0.22 -0.69 0.00 0.00 174.62 173.11 1gya s LEU 68 N -4.39 1.63 -0.61 4.42 2.96 -0.39 -2.01 118.68 120.29 1gya s LEU 68 Ca 0.45 -1.27 -0.23 0.00 -0.22 0.00 0.00 54.13 52.86 1gya s LEU 68 Cb -0.10 -0.71 0.05 0.00 0.50 0.00 0.00 46.19 45.93 1gya s LEU 68 CO 0.39 -0.37 0.96 -0.75 -1.32 0.00 0.00 176.35 175.26 1gya s LYS 69 N 1.76 3.21 -0.10 1.98 2.20 -0.90 -0.73 119.74 127.17 1gya s LYS 69 Ca 0.05 -0.54 0.03 0.00 -0.36 0.00 0.00 55.97 55.14 1gya s LYS 69 Cb -0.17 -4.14 -0.01 0.00 -1.51 0.00 0.00 37.83 32.00 1gya s LYS 69 CO -0.19 -1.67 -0.19 -1.50 -0.36 0.00 0.00 175.35 171.43 1gya s ILE 70 N 4.07 2.52 0.16 5.43 2.07 -0.16 -0.00 121.20 135.29 1gya s ILE 70 Ca 0.26 -0.87 0.03 0.00 -1.41 0.00 0.00 60.65 58.67 1gya s ILE 70 Cb -0.14 -2.00 -0.03 0.00 0.13 0.00 0.00 42.46 40.41 1gya s ILE 70 CO 0.15 0.55 0.28 -0.75 -1.91 0.00 0.00 174.94 173.26 1gya s LYS 71 N 0.20 3.40 -0.04 3.50 2.20 -0.88 -1.31 119.74 126.82 1gya s LYS 71 Ca -0.12 -0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 54.82 1gya s LYS 71 Cb -0.16 -2.93 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 1gya s LYS 71 CO 0.06 0.51 0.07 1.58 -0.36 0.00 0.00 175.35 177.21 1gya n HIS 72 N -0.63 -4.67 -3.25 4.03 -0.00 -1.26 -4.74 115.22 104.70 1gya n HIS 72 Ca -0.07 2.76 -0.25 0.00 0.46 0.00 0.00 57.72 60.62 1gya n HIS 72 Cb 0.54 -3.84 -0.07 0.00 -0.12 0.00 0.00 29.99 26.50 1gya n HIS 72 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1gya n LEU 73 N 1.77 1.09 0.00 0.27 -0.00 -1.23 -4.67 117.00 114.24 1gya n LEU 73 Ca -0.12 -4.89 -0.06 0.00 -0.00 0.00 0.00 56.01 50.95 1gya n LEU 73 Cb 0.18 0.31 0.03 0.00 -0.00 0.00 0.00 43.42 43.94 1gya n LEU 73 CO 0.11 2.07 0.14 2.29 -0.00 0.00 0.00 177.39 182.00 1gya n LYS 74 N 1.25 0.44 0.10 1.96 2.85 -1.26 -2.73 118.16 120.78 1gya n LYS 74 Ca 0.23 -0.70 0.18 0.00 -1.05 0.00 0.00 58.31 56.98 1gya n LYS 74 Cb 0.50 -0.17 0.74 0.00 -0.65 0.00 0.00 35.03 35.45 1gya n LYS 74 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1gya h THR 75 N -0.43 0.61 0.00 0.58 2.02 -1.94 0.21 112.91 113.96 1gya h THR 75 Ca -0.08 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.86 1gya h THR 75 Cb 0.31 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1gya h THR 75 CO 0.09 0.00 -1.17 0.44 0.37 0.00 0.00 175.52 175.25 1gya h ASP 76 N 0.00 0.02 -0.72 4.18 5.19 -1.97 -3.21 116.42 119.90 1gya h ASP 76 Ca 0.17 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1gya h ASP 76 Cb 0.77 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.27 1gya h ASP 76 CO -0.00 1.02 0.00 0.47 -3.12 0.00 0.00 179.24 177.60 1gya n ASP 77 N -3.29 4.13 -4.44 6.45 9.92 -0.56 -4.76 116.55 124.00 1gya n ASP 77 Ca -0.04 -2.10 -0.44 0.00 -0.53 0.00 0.00 54.79 51.67 1gya n ASP 77 Cb 0.97 -0.51 -0.01 0.00 -0.64 0.00 0.00 41.12 40.92 1gya n ASP 77 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1gya s GLN 78 N -1.21 3.84 0.45 -1.24 -0.44 0.63 -4.69 119.66 117.00 1gya s GLN 78 Ca 0.50 -2.22 0.08 0.00 -2.50 0.00 0.00 55.36 51.22 1gya s GLN 78 Cb 0.27 -4.94 0.02 0.00 -1.64 0.00 0.00 33.01 26.73 1gya s GLN 78 CO 0.31 -1.72 0.59 -0.51 0.50 0.00 0.00 175.29 174.47 1gya s ASP 79 N 3.10 5.52 0.10 6.67 1.01 -1.26 -4.88 116.67 126.93 1gya s ASP 79 Ca 0.36 -0.52 -0.06 0.00 0.71 0.00 0.00 52.55 53.04 1gya s ASP 79 Cb -0.04 -0.49 -0.05 0.00 1.01 0.00 0.00 42.92 43.34 1gya s ASP 79 CO -0.05 -0.85 0.36 -0.63 0.21 0.00 0.00 175.17 174.21 1gya s ILE 80 N -2.41 5.17 0.12 0.77 -1.09 -1.26 -1.17 121.20 121.33 1gya s ILE 80 Ca 0.55 0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 59.13 1gya s ILE 80 Cb -0.09 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1gya s ILE 80 CO 0.33 0.17 0.04 -0.31 -1.23 0.00 0.00 174.94 173.94 1gya s TYR 81 N -1.52 0.81 -0.20 3.97 1.51 -1.05 -2.02 117.35 118.86 1gya s TYR 81 Ca 0.36 -1.19 -0.12 0.00 -1.01 0.00 0.00 57.07 55.11 1gya s TYR 81 Cb -0.13 -0.47 0.06 0.00 -0.11 0.00 0.00 41.96 41.31 1gya s TYR 81 CO 0.21 -0.48 0.48 0.21 -1.11 0.00 0.00 175.55 174.87 1gya s LYS 82 N -4.02 0.49 -0.26 -0.62 2.20 -1.05 0.17 119.74 116.67 1gya s LYS 82 Ca 0.21 0.86 -0.08 0.00 -0.36 0.00 0.00 55.97 56.60 1gya s LYS 82 Cb 0.08 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.43 1gya s LYS 82 CO -0.01 -0.14 0.08 0.54 -0.36 0.00 0.00 175.35 175.47 1gya s VAL 83 N 1.24 4.40 -0.14 4.02 0.11 -0.31 -2.06 120.40 127.67 1gya s VAL 83 Ca -0.08 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1gya s VAL 83 Cb -0.07 -3.08 0.02 0.00 -1.53 0.00 0.00 36.38 31.72 1gya s VAL 83 CO -0.12 0.31 -0.16 -0.44 -3.33 0.00 0.00 175.10 171.37 1gya s SER 84 N 1.63 2.67 -0.10 3.54 0.01 -0.72 -1.30 113.70 119.42 1gya s SER 84 Ca 0.06 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.83 1gya s SER 84 Cb -0.15 -1.19 0.02 0.00 0.21 0.00 0.00 66.02 64.91 1gya s SER 84 CO 0.04 -0.02 -0.05 -0.63 0.41 0.00 0.00 173.24 172.99 1gya s ILE 85 N 1.25 0.82 0.39 1.44 1.09 -1.08 0.92 121.20 126.04 1gya s ILE 85 Ca 0.00 -0.17 0.08 0.00 -1.10 0.00 0.00 60.65 59.46 1gya s ILE 85 Cb -0.14 -0.88 -0.07 0.00 -1.06 0.00 0.00 42.46 40.32 1gya s ILE 85 CO -0.07 0.33 0.04 -0.31 -0.10 0.00 0.00 174.94 174.83 1gya s TYR 86 N 1.70 2.53 0.39 3.97 1.51 -0.01 -3.32 117.35 124.12 1gya s TYR 86 Ca 0.03 -0.59 -0.02 0.00 -1.01 0.00 0.00 57.07 55.48 1gya s TYR 86 Cb -0.13 -1.73 0.08 0.00 -0.11 0.00 0.00 41.96 40.08 1gya s TYR 86 CO -0.06 0.41 0.53 -0.40 -1.11 0.00 0.00 175.55 174.92 1gya n ASP 87 N -1.01 0.50 0.24 2.29 5.68 -1.06 -0.92 116.55 122.28 1gya n ASP 87 Ca -0.04 -1.48 0.18 0.00 -0.50 0.00 0.00 54.79 52.95 1gya n ASP 87 Cb 0.65 -0.37 0.88 0.00 -1.14 0.00 0.00 41.12 41.15 1gya n ASP 87 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1gya h THR 88 N -0.72 0.34 -0.78 2.12 1.35 -1.85 -2.61 112.91 110.75 1gya h THR 88 Ca -0.18 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.41 1gya h THR 88 Cb 0.60 0.83 -0.16 0.00 -1.73 0.00 0.00 68.15 67.68 1gya h THR 88 CO 0.17 0.00 0.35 0.29 -0.25 0.00 0.00 175.52 176.08 1gya n LYS 89 N -3.57 3.40 -1.26 4.72 5.02 -1.26 -4.88 118.16 120.32 1gya n LYS 89 Ca 0.01 -2.99 -0.09 0.00 -2.02 0.00 0.00 58.31 53.22 1gya n LYS 89 Cb 0.31 -2.19 -0.04 0.00 -0.02 0.00 0.00 35.03 33.09 1gya n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gya n GLY 90 N -0.32 0.93 3.62 0.72 0.00 -0.98 -4.94 105.19 104.22 1gya n GLY 90 Ca 0.44 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 1gya n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gya s LYS 91 N -2.59 4.09 -0.69 1.61 1.02 -1.26 -4.90 119.74 117.02 1gya s LYS 91 Ca 0.00 0.48 -0.26 0.00 0.02 0.00 0.00 55.97 56.21 1gya s LYS 91 Cb 0.00 -3.66 -0.11 0.00 -0.52 0.00 0.00 37.83 33.54 1gya s LYS 91 CO 0.00 -0.41 2.40 0.54 -0.92 0.00 0.00 175.35 176.96 1gya s ASN 92 N 1.50 4.10 0.06 2.83 4.22 -1.26 -2.56 114.94 123.82 1gya s ASN 92 Ca 0.25 0.38 0.26 0.00 -2.14 0.00 0.00 52.86 51.61 1gya s ASN 92 Cb -0.15 -2.53 0.74 0.00 1.28 0.00 0.00 41.25 40.58 1gya s ASN 92 CO 0.09 -3.52 1.61 1.33 -2.04 0.00 0.00 177.10 174.57 1gya n VAL 93 N 8.50 0.18 -3.57 3.54 0.24 -1.22 -4.87 118.33 121.13 1gya n VAL 93 Ca 0.43 -0.11 -0.12 0.00 -2.04 0.00 0.00 64.34 62.50 1gya n VAL 93 Cb 0.47 -0.21 -0.05 0.00 -1.47 0.00 0.00 33.84 32.58 1gya n VAL 93 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1gya s LEU 94 N -3.55 -0.43 0.02 1.34 2.96 -1.21 -5.07 118.68 112.74 1gya s LEU 94 Ca 0.11 0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 54.37 1gya s LEU 94 Cb 0.16 1.99 0.02 0.00 0.50 0.00 0.00 46.19 48.86 1gya s LEU 94 CO 0.64 -0.38 0.30 -1.83 -1.32 0.00 0.00 176.35 173.76 1gya s GLU 95 N -1.05 0.75 0.15 1.98 4.04 -1.26 -2.62 118.70 120.69 1gya s GLU 95 Ca -0.03 -0.38 -0.24 0.00 0.04 0.00 0.00 54.97 54.35 1gya s GLU 95 Cb -0.01 0.33 0.07 0.00 0.02 0.00 0.00 34.13 34.54 1gya s GLU 95 CO 0.03 -0.23 0.71 0.21 -1.84 0.00 0.00 175.26 174.14 1gya s LYS 96 N -2.07 1.28 0.10 -4.83 2.47 -0.42 -5.02 119.74 111.25 1gya s LYS 96 Ca -0.08 -0.55 0.09 0.00 -1.56 0.00 0.00 55.97 53.87 1gya s LYS 96 Cb -0.03 0.54 -0.04 0.00 -1.46 0.00 0.00 37.83 36.85 1gya s LYS 96 CO -0.00 -0.57 -0.22 0.42 0.16 0.00 0.00 175.35 175.14 1gya s ILE 97 N -3.63 2.58 0.29 5.43 1.01 -1.19 -1.16 121.20 124.53 1gya s ILE 97 Ca 0.05 -1.50 0.03 0.00 0.00 0.00 0.00 60.65 59.23 1gya s ILE 97 Cb -0.02 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1gya s ILE 97 CO -0.07 0.18 0.18 -0.36 0.00 0.00 0.00 174.94 174.87 1gya s PHE 98 N -1.03 1.56 -0.30 3.97 0.40 0.13 -2.23 117.98 120.47 1gya s PHE 98 Ca 0.15 -1.44 -0.07 0.00 -0.60 0.00 0.00 56.93 54.98 1gya s PHE 98 Cb -0.10 -0.78 0.19 0.00 0.51 0.00 0.00 43.02 42.84 1gya s PHE 98 CO 0.07 -0.62 0.91 0.16 0.70 0.00 0.00 175.22 176.45 1gya s ASP 99 N -3.34 -0.77 0.50 1.36 -4.77 -1.26 -2.51 116.67 105.88 1gya s ASP 99 Ca 0.37 0.19 -0.22 0.00 -3.30 0.00 0.00 52.55 49.59 1gya s ASP 99 Cb 0.05 1.53 -0.08 0.00 -1.09 0.00 0.00 42.92 43.33 1gya s ASP 99 CO 0.19 -0.14 1.01 -0.11 0.70 0.00 0.00 175.17 176.81 1gya n LEU 100 N 5.28 3.13 -4.42 2.11 7.94 -0.31 -3.57 117.00 127.16 1gya n LEU 100 Ca 0.04 0.94 -0.21 0.00 -1.11 0.00 0.00 56.01 55.68 1gya n LEU 100 Cb 0.56 -1.38 -0.10 0.00 0.53 0.00 0.00 43.42 43.03 1gya n LEU 100 CO -0.11 -1.58 -0.25 -0.54 -1.11 0.00 0.00 177.39 173.79 1gya s LYS 101 N -2.32 1.63 0.05 1.96 -0.14 0.51 -4.58 119.74 116.86 1gya s LYS 101 Ca 0.68 -1.92 0.07 0.00 -1.36 0.00 0.00 55.97 53.44 1gya s LYS 101 Cb -0.49 -0.62 -0.03 0.00 -1.68 0.00 0.00 37.83 35.02 1gya s LYS 101 CO 0.53 -0.28 -0.19 0.42 -0.76 0.00 0.00 175.35 175.07 1gya s ILE 102 N -3.43 1.51 0.02 2.17 -1.09 -1.26 -2.13 121.20 116.99 1gya s ILE 102 Ca 0.35 -1.21 -0.02 0.00 -2.23 0.00 0.00 60.65 57.54 1gya s ILE 102 Cb 0.07 -1.34 -0.02 0.00 -1.58 0.00 0.00 42.46 39.60 1gya s ILE 102 CO 0.15 0.09 0.01 -1.58 -1.23 0.00 0.00 174.94 172.38 1gya s GLN 103 N -1.31 0.39 -0.33 2.79 0.74 -1.23 -4.89 119.66 115.81 1gya s GLN 103 Ca 0.05 -0.63 -0.07 0.00 0.05 0.00 0.00 55.36 54.76 1gya s GLN 103 Cb -0.09 0.14 0.19 0.00 1.10 0.00 0.00 33.01 34.35 1gya s GLN 103 CO 0.02 -0.07 0.99 -1.83 -0.55 0.00 0.00 175.29 173.85 1gya s GLU 104 N -1.74 0.26 0.00 1.67 4.04 -1.26 -4.41 118.70 117.27 1gya s GLU 104 Ca -0.13 -0.06 0.00 0.00 0.04 0.00 0.00 54.97 54.82 1gya s GLU 104 Cb -0.07 0.04 0.00 0.00 0.02 0.00 0.00 34.13 34.11 1gya s GLU 104 CO -0.02 -0.38 0.00 -2.13 -1.84 0.00 0.00 175.26 170.89