#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 2.74 0.15 -1.58 2.12 -1.26 -5.13 118.70 115.74 1gya s GLU 2 Ca 0.00 -1.30 -0.05 0.00 0.36 0.00 0.00 54.97 53.98 1gya s GLU 2 Cb 0.00 -2.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 1gya s GLU 2 CO 0.00 0.04 0.17 0.42 -0.54 0.00 0.00 175.26 175.34 1gya s ILE 3 N -2.32 0.08 0.26 -3.70 1.09 -1.26 -5.18 121.20 110.17 1gya s ILE 3 Ca 0.43 -1.69 -0.00 0.00 -1.10 0.00 0.00 60.65 58.29 1gya s ILE 3 Cb -0.06 -2.00 -0.03 0.00 -1.06 0.00 0.00 42.46 39.32 1gya s ILE 3 CO 0.27 -0.35 0.25 0.42 -0.10 0.00 0.00 174.94 175.44 1gya s THR 4 N -4.02 0.00 -0.33 2.92 -4.23 -1.26 -5.08 115.64 103.64 1gya s THR 4 Ca 0.22 -1.88 0.16 0.00 -1.18 0.00 0.00 61.69 59.01 1gya s THR 4 Cb 0.05 -2.48 0.45 0.00 1.34 0.00 0.00 72.50 71.86 1gya s THR 4 CO 0.02 0.00 1.12 0.59 -0.54 0.00 0.00 174.62 175.81 1gya n ASN 5 N -0.78 0.48 -4.92 3.99 4.13 -1.26 -5.13 115.26 111.77 1gya n ASN 5 Ca 0.03 -2.49 -0.21 0.00 1.68 0.00 0.00 54.58 53.59 1gya n ASN 5 Cb 0.64 -0.08 0.05 0.00 -1.54 0.00 0.00 39.78 38.86 1gya n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gya s ALA 6 N -2.24 4.15 -0.40 5.41 0.00 -1.26 -3.95 121.76 123.47 1gya s ALA 6 Ca 0.24 -1.67 -0.00 0.00 0.00 0.00 0.00 51.96 50.53 1gya s ALA 6 Cb 0.42 -1.84 0.11 0.00 0.00 0.00 0.00 23.12 21.81 1gya s ALA 6 CO -0.02 -0.86 0.16 -0.51 0.00 0.00 0.00 175.76 174.54 1gya s LEU 7 N -4.75 5.05 -0.62 0.00 1.43 -0.68 -4.92 118.68 114.18 1gya s LEU 7 Ca 0.60 -2.15 -0.27 0.00 -1.03 0.00 0.00 54.13 51.28 1gya s LEU 7 Cb -0.08 -1.75 -0.11 0.00 0.03 0.00 0.00 46.19 44.28 1gya s LEU 7 CO 0.39 -0.47 2.49 -0.62 0.23 0.00 0.00 176.35 178.37 1gya n GLU 8 N 4.37 0.77 -3.98 1.70 1.02 -1.26 -3.80 120.64 119.47 1gya n GLU 8 Ca 0.01 -0.01 -0.21 0.00 -0.02 0.00 0.00 57.16 56.92 1gya n GLU 8 Cb 0.41 -2.96 -0.03 0.00 -0.02 0.00 0.00 31.44 28.84 1gya n GLU 8 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1gya s THR 9 N 11.46 4.84 0.04 2.62 -4.23 -1.12 -5.03 115.64 124.22 1gya s THR 9 Ca 1.08 -1.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.36 1gya s THR 9 Cb -0.45 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 69.74 1gya s THR 9 CO 0.32 -0.32 0.16 0.26 -0.54 0.00 0.00 174.62 174.50 1gya s TRP 10 N -2.06 0.10 0.18 3.99 0.52 -1.26 -3.15 118.94 117.27 1gya s TRP 10 Ca 0.35 -0.36 -0.07 0.00 0.02 0.00 0.00 56.10 56.04 1gya s TRP 10 Cb -0.09 -0.07 0.03 0.00 -1.15 0.00 0.00 33.47 32.20 1gya s TRP 10 CO 0.28 -0.41 0.38 0.41 0.02 0.00 0.00 176.95 177.62 1gya n GLY 11 N 0.70 1.49 3.33 0.98 0.00 -0.45 -4.79 105.19 106.45 1gya n GLY 11 Ca -0.19 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 1gya n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gya s ALA 12 N -1.51 2.00 0.28 4.61 0.00 -1.26 -2.79 121.76 123.08 1gya s ALA 12 Ca 0.08 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.40 1gya s ALA 12 Cb -0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 1gya s ALA 12 CO 0.05 0.21 0.66 -0.48 0.00 0.00 0.00 175.76 176.21 1gya s LEU 13 N -2.74 4.13 -0.24 0.00 2.34 -1.26 -3.66 118.68 117.25 1gya s LEU 13 Ca 0.16 1.16 -0.01 0.00 0.06 0.00 0.00 54.13 55.51 1gya s LEU 13 Cb -0.05 -3.87 0.00 0.00 -0.56 0.00 0.00 46.19 41.71 1gya s LEU 13 CO 0.07 -0.13 0.08 0.61 -1.06 0.00 0.00 176.35 175.92 1gya n GLY 14 N -0.15 0.46 3.56 -3.48 0.00 -0.81 -4.84 105.19 99.92 1gya n GLY 14 Ca 0.02 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.63 0.86 0.32 1.61 0.74 -1.01 -4.57 119.66 112.98 1gya s GLN 15 Ca 0.04 0.39 -0.26 0.00 0.05 0.00 0.00 55.36 55.58 1gya s GLN 15 Cb -0.02 0.41 -0.10 0.00 1.10 0.00 0.00 33.01 34.40 1gya s GLN 15 CO 0.05 -0.23 0.94 0.34 -0.55 0.00 0.00 175.29 175.84 1gya s ASP 16 N -0.77 7.35 -0.09 6.67 -1.08 -1.26 -2.38 116.67 125.12 1gya s ASP 16 Ca -0.06 1.83 -0.29 0.00 -0.52 0.00 0.00 52.55 53.52 1gya s ASP 16 Cb -0.01 -2.58 0.07 0.00 -1.46 0.00 0.00 42.92 38.93 1gya s ASP 16 CO 0.05 -0.05 0.66 -0.51 0.52 0.00 0.00 175.17 175.84 1gya s ILE 17 N -1.59 0.00 0.28 4.11 -1.16 -0.74 -4.86 121.20 117.24 1gya s ILE 17 Ca 0.50 -0.02 0.07 0.00 -0.51 0.00 0.00 60.65 60.68 1gya s ILE 17 Cb -0.19 -0.98 -0.03 0.00 0.61 0.00 0.00 42.46 41.88 1gya s ILE 17 CO 0.24 -0.01 0.27 0.20 -2.81 0.00 0.00 174.94 172.83 1gya s ASN 18 N -0.91 5.63 -0.44 4.50 -0.87 -1.26 -1.90 114.94 119.68 1gya s ASN 18 Ca -0.09 -0.25 -0.11 0.00 -1.57 0.00 0.00 52.86 50.83 1gya s ASN 18 Cb -0.01 -1.35 0.08 0.00 -0.02 0.00 0.00 41.25 39.95 1gya s ASN 18 CO 0.08 -0.16 0.31 -0.76 -2.57 0.00 0.00 177.10 174.00 1gya s LEU 19 N -3.93 5.35 -0.41 0.60 1.02 0.74 -4.94 118.68 117.10 1gya s LEU 19 Ca 0.36 -1.50 -0.13 0.00 0.02 0.00 0.00 54.13 52.87 1gya s LEU 19 Cb -0.08 -2.04 0.03 0.00 0.02 0.00 0.00 46.19 44.12 1gya s LEU 19 CO 0.27 -0.59 0.28 -1.81 0.02 0.00 0.00 176.35 174.52 1gya s ASP 20 N 2.33 5.96 0.90 2.29 1.11 -1.26 -2.00 116.67 126.01 1gya s ASP 20 Ca 0.03 -1.03 -0.12 0.00 0.18 0.00 0.00 52.55 51.62 1gya s ASP 20 Cb -0.24 -2.11 0.13 0.00 1.07 0.00 0.00 42.92 41.78 1gya s ASP 20 CO 0.03 -0.46 1.09 -0.51 1.18 0.00 0.00 175.17 176.50 1gya s ILE 21 N 1.62 2.61 0.33 0.77 -1.16 -1.26 -5.05 121.20 119.05 1gya s ILE 21 Ca 0.04 0.20 -0.03 0.00 -0.51 0.00 0.00 60.65 60.35 1gya s ILE 21 Cb -0.20 -2.70 0.04 0.00 0.61 0.00 0.00 42.46 40.21 1gya s ILE 21 CO 0.08 -0.26 0.09 -2.65 -2.81 0.00 0.00 174.94 169.40 1gya n PRO 22 N -3.89 0.72 -0.44 3.50 -0.02 -1.26 -4.84 135.00 128.77 1gya n PRO 22 Ca 0.07 -0.16 -0.08 0.00 -2.02 0.00 0.00 63.50 61.31 1gya n PRO 22 Cb 0.56 -0.55 0.07 0.00 -0.02 0.00 0.00 33.50 33.56 1gya n PRO 22 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1gya n SER 23 N -0.01 3.25 -4.78 2.55 7.64 -1.26 -4.86 113.62 116.15 1gya n SER 23 Ca 0.01 -2.57 -0.39 0.00 1.01 0.00 0.00 58.87 56.93 1gya n SER 23 Cb 0.07 -0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 62.58 1gya n SER 23 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1gya s PHE 24 N -1.21 3.86 -0.23 1.43 0.40 -1.26 -5.06 117.98 115.90 1gya s PHE 24 Ca 0.21 1.61 -0.01 0.00 -0.60 0.00 0.00 56.93 58.14 1gya s PHE 24 Cb 0.17 -2.75 0.07 0.00 0.51 0.00 0.00 43.02 41.02 1gya s PHE 24 CO 0.04 0.47 0.01 -0.65 0.70 0.00 0.00 175.22 175.79 1gya s GLN 25 N -1.33 1.10 0.89 0.44 -0.21 -1.26 -5.02 119.66 114.28 1gya s GLN 25 Ca 0.38 -0.80 -0.12 0.00 0.02 0.00 0.00 55.36 54.83 1gya s GLN 25 Cb -0.22 -2.33 0.13 0.00 1.00 0.00 0.00 33.01 31.58 1gya s GLN 25 CO 0.25 -0.68 1.15 -1.64 -2.12 0.00 0.00 175.29 172.25 1gya s MET 26 N 1.60 1.30 0.00 2.91 -1.94 -1.26 -5.05 119.30 116.86 1gya s MET 26 Ca -0.01 0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.21 1gya s MET 26 Cb -0.18 -1.86 0.00 0.00 2.01 0.00 0.00 34.83 34.80 1gya s MET 26 CO -0.10 -2.08 0.00 0.43 -0.01 0.00 0.00 175.02 173.27 1gya n SER 27 N -3.67 0.00 -0.08 3.03 7.64 -1.26 -5.03 113.62 114.25 1gya n SER 27 Ca 0.07 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.81 1gya n SER 27 Cb 0.60 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.69 1gya n SER 27 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1gya h ASP 28 N 0.00 0.00 0.79 6.43 2.03 -2.03 -3.37 116.42 120.27 1gya h ASP 28 Ca 0.00 -0.65 0.00 0.00 -0.73 0.00 0.00 57.03 55.65 1gya h ASP 28 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1gya h ASP 28 CO 0.00 1.09 0.00 0.44 -1.03 0.00 0.00 179.24 179.74 1gya h ASP 29 N -1.00 0.00 -3.36 4.15 3.32 -2.02 -3.43 116.42 114.08 1gya h ASP 29 Ca -0.12 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.36 1gya h ASP 29 Cb 0.95 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.44 1gya h ASP 29 CO -0.07 0.00 0.06 -0.63 -1.72 0.00 0.00 179.24 176.88 1gya s ILE 30 N -3.61 5.06 0.00 0.35 1.01 -1.26 -3.35 121.20 119.41 1gya s ILE 30 Ca 0.01 1.31 0.00 0.00 0.00 0.00 0.00 60.65 61.97 1gya s ILE 30 Cb 0.09 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1gya s ILE 30 CO 0.47 0.23 0.00 -0.67 0.00 0.00 0.00 174.94 174.97 1gya n ASP 31 N 4.03 3.79 -4.81 3.58 -0.08 -1.21 -4.81 116.55 117.04 1gya n ASP 31 Ca -0.02 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.90 1gya n ASP 31 Cb 0.51 0.32 -0.07 0.00 2.34 0.00 0.00 41.12 44.22 1gya n ASP 31 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1gya s ASP 32 N -2.78 6.06 -0.01 1.67 -1.08 0.21 -4.72 116.67 116.02 1gya s ASP 32 Ca 0.00 0.35 -0.05 0.00 -0.52 0.00 0.00 52.55 52.33 1gya s ASP 32 Cb 0.00 -1.93 0.00 0.00 -1.46 0.00 0.00 42.92 39.53 1gya s ASP 32 CO 0.00 0.37 0.11 -0.63 0.52 0.00 0.00 175.17 175.54 1gya s ILE 33 N -0.80 0.07 -0.20 4.11 1.01 -1.03 -0.43 121.20 123.92 1gya s ILE 33 Ca 0.13 -0.57 -0.20 0.00 0.00 0.00 0.00 60.65 60.01 1gya s ILE 33 Cb -0.12 -0.35 0.06 0.00 0.01 0.00 0.00 42.46 42.06 1gya s ILE 33 CO 0.03 -0.31 0.57 -0.75 0.00 0.00 0.00 174.94 174.47 1gya s LYS 34 N -1.07 0.68 -0.03 2.79 2.20 0.30 -0.50 119.74 124.10 1gya s LYS 34 Ca -0.12 0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 56.24 1gya s LYS 34 Cb -0.06 0.33 0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1gya s LYS 34 CO 0.01 -0.09 0.03 -1.58 -0.36 0.00 0.00 175.35 173.35 1gya s TRP 35 N 0.20 0.20 0.37 4.03 0.52 0.70 -0.59 118.94 124.38 1gya s TRP 35 Ca -0.01 0.09 0.07 0.00 0.02 0.00 0.00 56.10 56.27 1gya s TRP 35 Cb -0.04 -0.42 -0.07 0.00 -1.15 0.00 0.00 33.47 31.79 1gya s TRP 35 CO 0.01 -0.16 -0.01 -1.21 0.02 0.00 0.00 176.95 175.61 1gya s GLU 36 N 1.45 1.86 -1.04 4.98 2.02 -0.89 -2.34 118.70 124.74 1gya s GLU 36 Ca -0.04 -2.02 -0.13 0.00 0.02 0.00 0.00 54.97 52.80 1gya s GLU 36 Cb -0.13 -1.52 0.21 0.00 0.10 0.00 0.00 34.13 32.79 1gya s GLU 36 CO -0.03 -0.02 1.12 0.21 0.02 0.00 0.00 175.26 176.56 1gya s LYS 37 N -3.71 3.93 0.22 1.61 2.20 -0.77 -2.57 119.74 120.65 1gya s LYS 37 Ca 0.34 -2.62 0.03 0.00 -0.36 0.00 0.00 55.97 53.36 1gya s LYS 37 Cb 0.08 -4.73 0.58 0.00 -1.51 0.00 0.00 37.83 32.25 1gya s LYS 37 CO 0.17 -1.49 1.06 0.25 -0.36 0.00 0.00 175.35 174.98 1gya n THR 38 N 3.99 -0.28 0.32 3.43 -2.24 0.82 -1.00 114.28 119.32 1gya n THR 38 Ca 0.25 1.47 -0.18 0.00 -2.27 0.00 0.00 64.05 63.32 1gya n THR 38 Cb 0.44 -2.18 -0.10 0.00 -2.10 0.00 0.00 70.33 66.39 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 -1.29 -0.29 3.42 0.87 -1.92 -3.07 113.55 111.28 1gya h SER 39 Ca 0.43 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 1gya h SER 39 Cb 0.95 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1gya h SER 39 CO -0.62 -0.66 0.00 0.47 -0.53 0.00 0.00 176.83 175.49 1gya n ASP 40 N -5.57 2.86 -3.64 6.23 9.92 -0.17 -4.96 116.55 121.23 1gya n ASP 40 Ca -0.12 -1.91 -0.27 0.00 -0.53 0.00 0.00 54.79 51.96 1gya n ASP 40 Cb 0.46 -0.18 0.04 0.00 -0.64 0.00 0.00 41.12 40.80 1gya n ASP 40 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1gya n LYS 41 N 1.11 -2.01 -4.00 -1.24 4.81 -0.29 -4.95 118.16 111.58 1gya n LYS 41 Ca 0.18 0.54 -0.31 0.00 -0.87 0.00 0.00 58.31 57.84 1gya n LYS 41 Cb 0.52 -4.55 -0.15 0.00 0.02 0.00 0.00 35.03 30.87 1gya n LYS 41 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1gya s LYS 42 N -5.78 1.52 -0.06 1.64 2.36 -1.20 -4.88 119.74 113.34 1gya s LYS 42 Ca 0.38 -1.90 -0.40 0.00 -2.55 0.00 0.00 55.97 51.50 1gya s LYS 42 Cb -0.12 -3.23 -0.19 0.00 -1.05 0.00 0.00 37.83 33.24 1gya s LYS 42 CO 0.84 -0.95 1.29 1.63 1.55 0.00 0.00 175.35 179.70 1gya n LYS 43 N 4.24 0.47 0.00 4.03 5.02 -1.26 -1.84 118.16 128.82 1gya n LYS 43 Ca 0.04 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1gya n LYS 43 Cb 0.42 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1gya n LYS 43 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1gya n ILE 44 N 2.43 0.00 -3.66 -0.18 -5.35 -0.99 -4.90 119.36 106.72 1gya n ILE 44 Ca 0.22 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.59 1gya n ILE 44 Cb 0.10 -0.55 -0.08 0.00 -1.74 0.00 0.00 39.64 37.37 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 -1.62 -1.60 -0.21 -1.28 0.00 -1.02 -4.67 121.76 111.37 1gya s ALA 45 Ca 0.00 1.97 -0.28 0.00 0.00 0.00 0.00 51.96 53.64 1gya s ALA 45 Cb 0.00 -1.16 0.13 0.00 0.00 0.00 0.00 23.12 22.10 1gya s ALA 45 CO 0.00 -0.32 1.04 1.14 0.00 0.00 0.00 175.76 177.62 1gya s GLN 46 N 0.93 0.53 -0.20 0.00 -2.07 -1.09 -0.21 119.66 117.55 1gya s GLN 46 Ca -0.05 0.27 -0.02 0.00 -1.82 0.00 0.00 55.36 53.75 1gya s GLN 46 Cb -0.05 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 32.12 1gya s GLN 46 CO -0.08 -0.13 -0.12 -0.06 -1.32 0.00 0.00 175.29 173.58 1gya s PHE 47 N -0.66 2.87 -0.39 9.60 0.08 0.34 -1.82 117.98 128.01 1gya s PHE 47 Ca 0.00 -1.25 0.03 0.00 0.12 0.00 0.00 56.93 55.83 1gya s PHE 47 Cb -0.02 -2.02 0.16 0.00 -0.57 0.00 0.00 43.02 40.57 1gya s PHE 47 CO -0.02 -0.66 0.32 0.50 -0.10 0.00 0.00 175.22 175.26 1gya s ARG 48 N 1.38 0.76 0.29 0.44 6.06 -1.26 -2.46 118.95 124.15 1gya s ARG 48 Ca 0.05 -1.62 0.00 0.00 -2.50 0.00 0.00 55.73 51.66 1gya s ARG 48 Cb -0.14 -1.20 0.00 0.00 0.06 0.00 0.00 34.95 33.67 1gya s ARG 48 CO -0.08 -1.30 0.00 1.17 -2.50 0.00 0.00 175.30 172.59 1gya n LYS 49 N 3.44 -1.98 -0.72 5.12 4.81 -1.26 -4.51 118.16 123.06 1gya n LYS 49 Ca 0.21 1.54 -0.12 0.00 -0.87 0.00 0.00 58.31 59.07 1gya n LYS 49 Cb 0.44 -1.94 0.04 0.00 0.02 0.00 0.00 35.03 33.59 1gya n LYS 49 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1gya n GLU 50 N -2.12 1.56 0.00 1.64 1.02 -1.26 -3.48 120.64 118.01 1gya n GLU 50 Ca -0.00 -1.14 0.01 0.00 -0.02 0.00 0.00 57.16 56.01 1gya n GLU 50 Cb 0.24 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1gya n GLU 50 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1gya n LYS 51 N 0.50 2.91 0.00 3.49 4.81 -1.26 -5.02 118.16 123.59 1gya n LYS 51 Ca 0.22 -0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1gya n LYS 51 Cb 0.63 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.89 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 -0.48 0.00 -4.31 1.64 2.13 -1.23 -5.18 120.64 113.21 1gya n GLU 52 Ca 0.01 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.60 1gya n GLU 52 Cb 0.03 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.62 1gya n GLU 52 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1gya s THR 53 N 0.00 1.77 -0.41 6.31 -4.23 -1.26 -4.30 115.64 113.52 1gya s THR 53 Ca 0.00 -1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 1gya s THR 53 Cb 0.00 -1.71 0.06 0.00 1.34 0.00 0.00 72.50 72.19 1gya s THR 53 CO 0.00 -0.20 0.26 0.12 -0.54 0.00 0.00 174.62 174.26 1gya s PHE 54 N -1.64 3.29 -0.43 3.99 2.19 -0.75 -4.86 117.98 119.77 1gya s PHE 54 Ca 0.11 -1.27 0.05 0.00 0.33 0.00 0.00 56.93 56.16 1gya s PHE 54 Cb -0.08 -2.81 0.31 0.00 -1.31 0.00 0.00 43.02 39.13 1gya s PHE 54 CO 0.05 -0.78 1.17 0.36 1.83 0.00 0.00 175.22 177.86 1gya n LYS 55 N 4.98 0.79 0.11 10.12 2.85 -1.26 -2.67 118.16 133.08 1gya n LYS 55 Ca -0.11 -1.61 0.03 0.00 -1.05 0.00 0.00 58.31 55.57 1gya n LYS 55 Cb 0.44 -0.85 0.42 0.00 -0.65 0.00 0.00 35.03 34.38 1gya n LYS 55 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1gya h GLU 56 N 2.89 0.28 -3.42 -1.58 3.07 -1.89 -3.44 114.58 110.49 1gya h GLU 56 Ca -0.16 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.61 1gya h GLU 56 Cb 1.12 -0.05 -0.12 0.00 -0.84 0.00 0.00 28.75 28.87 1gya h GLU 56 CO 0.11 0.35 -0.06 -1.59 -1.40 0.00 0.00 179.01 176.41 1gya s LYS 57 N -4.90 1.21 0.00 2.33 0.00 -1.26 -5.04 119.74 112.07 1gya s LYS 57 Ca -0.06 -0.84 0.26 0.00 0.00 0.00 0.00 55.97 55.33 1gya s LYS 57 Cb 0.16 0.48 1.41 0.00 0.00 0.00 0.00 37.83 39.88 1gya s LYS 57 CO 0.73 -0.49 1.89 -0.25 0.00 0.00 0.00 175.35 177.24 1gya n ASP 58 N -0.27 0.00 0.30 0.03 9.92 -1.26 -2.79 116.55 122.48 1gya n ASP 58 Ca -0.12 -0.38 0.19 0.00 -0.53 0.00 0.00 54.79 53.94 1gya n ASP 58 Cb 0.63 -0.17 1.02 0.00 -0.64 0.00 0.00 41.12 41.96 1gya n ASP 58 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gya h THR 59 N 0.00 0.18 -1.69 -3.53 1.03 -1.85 -3.14 112.91 103.91 1gya h THR 59 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.06 1gya h THR 59 Cb 0.14 0.90 -0.27 0.00 -1.07 0.00 0.00 68.15 67.85 1gya h THR 59 CO 0.00 0.00 -0.69 -0.31 -0.01 0.00 0.00 175.52 174.51 1gya s TYR 60 N -4.31 -0.42 -0.02 0.00 1.51 -1.12 -3.52 117.35 109.46 1gya s TYR 60 Ca -0.05 -1.11 -0.01 0.00 -1.01 0.00 0.00 57.07 54.89 1gya s TYR 60 Cb 0.13 -0.27 -0.04 0.00 -0.11 0.00 0.00 41.96 41.68 1gya s TYR 60 CO 0.43 -1.05 0.07 0.21 -1.11 0.00 0.00 175.55 174.11 1gya s LYS 61 N 0.87 3.07 -0.05 -0.62 2.20 -0.39 -4.38 119.74 120.44 1gya s LYS 61 Ca 0.26 -0.46 -0.04 0.00 -0.36 0.00 0.00 55.97 55.37 1gya s LYS 61 Cb -0.04 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 1gya s LYS 61 CO -0.09 0.66 0.16 -1.17 -0.36 0.00 0.00 175.35 174.56 1gya s LEU 62 N -1.59 4.35 0.39 5.43 2.96 -1.26 -1.19 118.68 127.76 1gya s LEU 62 Ca 0.21 0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.57 1gya s LEU 62 Cb -0.12 -2.42 -0.06 0.00 0.50 0.00 0.00 46.19 44.10 1gya s LEU 62 CO 0.12 0.31 0.11 -0.36 -1.32 0.00 0.00 176.35 175.21 1gya s PHE 63 N -1.22 2.58 0.32 5.38 0.40 -0.23 -4.99 117.98 120.22 1gya s PHE 63 Ca 0.23 -0.56 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 1gya s PHE 63 Cb -0.12 -1.80 0.56 0.00 0.51 0.00 0.00 43.02 42.16 1gya s PHE 63 CO 0.14 0.31 1.84 0.87 0.70 0.00 0.00 175.22 179.07 1gya h LYS 64 N 1.59 0.50 -0.84 0.44 1.57 -2.00 -2.87 116.57 114.96 1gya h LYS 64 Ca -0.43 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.21 1gya h LYS 64 Cb 1.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1gya h LYS 64 CO 0.71 0.58 0.02 0.27 -0.57 0.00 0.00 179.45 180.47 1gya n ASN 65 N -4.24 2.98 -0.35 0.86 0.23 -1.26 -4.85 115.26 108.64 1gya n ASN 65 Ca 0.01 -2.41 -0.05 0.00 -0.53 0.00 0.00 54.58 51.61 1gya n ASN 65 Cb 0.29 -0.58 -0.02 0.00 -2.08 0.00 0.00 39.78 37.38 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 0.22 0.71 3.89 4.83 0.00 -1.08 -4.82 105.19 108.93 1gya n GLY 66 Ca 0.13 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.03 4.94 -0.19 2.61 2.01 -1.26 -4.28 115.64 117.43 1gya s THR 67 Ca 0.00 0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.31 1gya s THR 67 Cb 0.00 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.87 1gya s THR 67 CO 0.00 -0.29 0.00 -0.22 -0.69 0.00 0.00 174.62 173.43 1gya s LEU 68 N -3.38 1.46 -0.05 4.42 2.96 -0.84 -1.07 118.68 122.18 1gya s LEU 68 Ca 0.47 -0.81 -0.15 0.00 -0.22 0.00 0.00 54.13 53.41 1gya s LEU 68 Cb -0.11 -0.74 -0.05 0.00 0.50 0.00 0.00 46.19 45.80 1gya s LEU 68 CO 0.27 -0.27 0.41 -1.59 -1.32 0.00 0.00 176.35 173.86 1gya s LYS 69 N 1.75 4.06 -0.23 1.98 0.00 -0.34 -0.19 119.74 126.78 1gya s LYS 69 Ca -0.01 0.39 0.02 0.00 0.00 0.00 0.00 55.97 56.37 1gya s LYS 69 Cb -0.17 -3.30 0.04 0.00 0.00 0.00 0.00 37.83 34.41 1gya s LYS 69 CO -0.07 0.51 -0.14 0.42 0.00 0.00 0.00 175.35 176.06 1gya s ILE 70 N -0.49 2.13 -0.26 3.79 1.01 -0.80 -1.26 121.20 125.32 1gya s ILE 70 Ca 0.23 -1.38 -0.23 0.00 0.00 0.00 0.00 60.65 59.28 1gya s ILE 70 Cb -0.16 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 1gya s ILE 70 CO 0.12 0.18 0.77 -0.75 0.00 0.00 0.00 174.94 175.26 1gya s LYS 71 N 1.17 4.12 -0.25 2.79 2.36 -1.19 -1.80 119.74 126.95 1gya s LYS 71 Ca -0.04 0.77 -0.09 0.00 -2.55 0.00 0.00 55.97 54.06 1gya s LYS 71 Cb -0.17 -3.66 0.01 0.00 -1.05 0.00 0.00 37.83 32.96 1gya s LYS 71 CO -0.08 -0.52 0.20 1.58 1.55 0.00 0.00 175.35 178.08 1gya n HIS 72 N 5.97 -2.36 -3.80 4.03 -0.00 -1.25 -4.75 115.22 113.06 1gya n HIS 72 Ca 0.04 1.01 -0.09 0.00 -0.00 0.00 0.00 57.72 58.68 1gya n HIS 72 Cb 0.48 -2.64 -0.03 0.00 -0.00 0.00 0.00 29.99 27.80 1gya n HIS 72 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gya s LEU 73 N -1.71 -0.14 0.00 0.27 1.43 -1.00 -4.48 118.68 113.06 1gya s LEU 73 Ca 0.10 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1gya s LEU 73 Cb -0.02 2.43 0.00 0.00 0.03 0.00 0.00 46.19 48.64 1gya s LEU 73 CO 0.53 -1.20 0.00 2.29 0.23 0.00 0.00 176.35 178.20 1gya n LYS 74 N -0.41 1.46 0.29 1.70 2.85 -1.26 -1.93 118.16 120.85 1gya n LYS 74 Ca -0.07 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.34 1gya n LYS 74 Cb 0.61 0.00 0.86 0.00 -0.65 0.00 0.00 35.03 35.85 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 0.00 0.55 -0.07 0.58 2.02 -1.94 0.12 112.91 114.17 1gya h THR 75 Ca 0.00 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 1gya h THR 75 Cb 0.00 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1gya h THR 75 CO 0.00 0.03 -0.43 0.44 0.37 0.00 0.00 175.52 175.93 1gya h ASP 76 N 0.00 0.16 0.77 4.18 3.32 -2.02 -2.34 116.42 120.50 1gya h ASP 76 Ca -0.00 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1gya h ASP 76 Cb 0.09 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1gya h ASP 76 CO 0.00 0.58 -0.16 -0.78 -1.72 0.00 0.00 179.24 177.16 1gya h ASP 77 N 0.13 0.00 -1.46 6.45 3.58 -1.26 -3.40 116.42 120.46 1gya h ASP 77 Ca 0.01 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.83 1gya h ASP 77 Cb 0.82 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.75 1gya h ASP 77 CO 0.06 0.16 1.35 -1.58 -2.88 0.00 0.00 179.24 176.35 1gya s GLN 78 N -3.80 3.61 0.41 0.28 0.74 -0.88 -4.79 119.66 115.24 1gya s GLN 78 Ca -0.00 -1.34 0.04 0.00 0.05 0.00 0.00 55.36 54.10 1gya s GLN 78 Cb 0.11 -5.25 -0.05 0.00 1.10 0.00 0.00 33.01 28.92 1gya s GLN 78 CO 0.60 -2.09 0.04 -0.51 -0.55 0.00 0.00 175.29 172.78 1gya s ASP 79 N 4.56 3.38 -0.14 6.67 1.11 -1.24 -4.88 116.67 126.13 1gya s ASP 79 Ca 0.43 -1.49 -0.12 0.00 0.18 0.00 0.00 52.55 51.55 1gya s ASP 79 Cb -0.01 0.05 -0.05 0.00 1.07 0.00 0.00 42.92 43.98 1gya s ASP 79 CO -0.09 -0.67 0.24 -0.63 1.18 0.00 0.00 175.17 175.20 1gya s ILE 80 N -2.98 5.34 0.27 0.77 1.09 -1.26 -0.53 121.20 123.90 1gya s ILE 80 Ca 0.26 0.43 0.05 0.00 -1.10 0.00 0.00 60.65 60.29 1gya s ILE 80 Cb 0.06 -3.55 -0.06 0.00 -1.06 0.00 0.00 42.46 37.85 1gya s ILE 80 CO 0.13 0.47 -0.02 -0.31 -0.10 0.00 0.00 174.94 175.11 1gya s TYR 81 N -0.05 1.84 -0.13 3.97 1.51 -0.74 -0.13 117.35 123.63 1gya s TYR 81 Ca 0.15 -0.81 -0.09 0.00 -1.01 0.00 0.00 57.07 55.31 1gya s TYR 81 Cb -0.13 -1.09 0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1gya s TYR 81 CO 0.04 0.14 0.31 0.21 -1.11 0.00 0.00 175.55 175.14 1gya s LYS 82 N -3.80 0.33 -0.33 -0.62 2.20 -1.06 0.12 119.74 116.57 1gya s LYS 82 Ca 0.30 0.54 -0.06 0.00 -0.36 0.00 0.00 55.97 56.39 1gya s LYS 82 Cb 0.05 0.05 0.04 0.00 -1.51 0.00 0.00 37.83 36.46 1gya s LYS 82 CO 0.12 -0.10 0.10 0.54 -0.36 0.00 0.00 175.35 175.64 1gya s VAL 83 N 0.73 3.75 -0.17 4.02 0.11 0.26 -2.09 120.40 127.00 1gya s VAL 83 Ca -0.05 -1.12 -0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1gya s VAL 83 Cb -0.06 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 1gya s VAL 83 CO -0.05 -0.16 -0.14 -0.94 -3.33 0.00 0.00 175.10 170.48 1gya s SER 84 N 1.40 3.67 -0.07 3.54 1.04 0.24 -1.82 113.70 121.70 1gya s SER 84 Ca -0.02 -0.49 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 1gya s SER 84 Cb -0.19 -1.58 0.04 0.00 0.10 0.00 0.00 66.02 64.38 1gya s SER 84 CO 0.03 0.04 0.07 -0.63 0.98 0.00 0.00 173.24 173.73 1gya s ILE 85 N 1.06 -0.12 0.29 -1.02 1.09 -1.08 0.11 121.20 121.53 1gya s ILE 85 Ca -0.01 0.32 0.06 0.00 -1.10 0.00 0.00 60.65 59.92 1gya s ILE 85 Cb -0.15 -0.23 -0.06 0.00 -1.06 0.00 0.00 42.46 40.96 1gya s ILE 85 CO -0.04 0.10 -0.02 -0.31 -0.10 0.00 0.00 174.94 174.57 1gya s TYR 86 N 2.17 1.96 0.14 3.97 2.02 0.42 -3.44 117.35 124.59 1gya s TYR 86 Ca 0.04 -0.77 -0.02 0.00 -0.37 0.00 0.00 57.07 55.95 1gya s TYR 86 Cb -0.13 -1.18 0.03 0.00 -0.40 0.00 0.00 41.96 40.28 1gya s TYR 86 CO -0.04 0.21 0.18 -0.40 -1.57 0.00 0.00 175.55 173.93 1gya n ASP 87 N -0.62 0.03 -0.35 2.29 5.68 -1.13 0.64 116.55 123.10 1gya n ASP 87 Ca -0.05 -1.08 0.06 0.00 -0.50 0.00 0.00 54.79 53.23 1gya n ASP 87 Cb 0.64 -0.14 0.22 0.00 -1.14 0.00 0.00 41.12 40.71 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 -1.05 0.91 -0.55 2.12 1.35 -1.89 -2.68 112.91 111.12 1gya h THR 88 Ca -0.06 -0.32 -0.27 0.00 -0.55 0.00 0.00 66.41 65.21 1gya h THR 88 Cb 0.17 -0.11 -0.16 0.00 -1.73 0.00 0.00 68.15 66.31 1gya h THR 88 CO 0.04 0.17 0.34 0.29 -0.25 0.00 0.00 175.52 176.12 1gya n LYS 89 N -4.65 1.86 -1.80 4.72 4.76 -1.26 -4.84 118.16 116.95 1gya n LYS 89 Ca 0.18 -1.73 -0.19 0.00 -2.87 0.00 0.00 58.31 53.70 1gya n LYS 89 Cb 0.34 -1.70 -0.06 0.00 -1.84 0.00 0.00 35.03 31.77 1gya n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gya n GLY 90 N -0.37 1.17 3.46 0.72 0.00 -1.01 -4.92 105.19 104.25 1gya n GLY 90 Ca 0.33 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.03 3.17 -0.69 1.61 1.02 -1.26 -4.85 119.74 114.71 1gya s LYS 91 Ca 0.00 -0.75 -0.28 0.00 0.02 0.00 0.00 55.97 54.96 1gya s LYS 91 Cb 0.00 -4.13 -0.13 0.00 -0.52 0.00 0.00 37.83 33.05 1gya s LYS 91 CO 0.00 -1.47 2.52 0.27 -0.92 0.00 0.00 175.35 175.75 1gya n ASN 92 N 6.90 1.51 0.03 2.83 0.23 -1.26 -2.83 115.26 122.67 1gya n ASN 92 Ca -0.04 -0.27 -0.06 0.00 -0.53 0.00 0.00 54.58 53.69 1gya n ASN 92 Cb 0.46 -1.33 -0.11 0.00 -2.08 0.00 0.00 39.78 36.72 1gya n ASN 92 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 1gya h VAL 93 N 7.81 1.02 -2.38 3.53 -1.51 -1.92 -3.47 116.25 119.33 1gya h VAL 93 Ca -0.16 -2.72 -0.08 0.00 -1.23 0.00 0.00 66.70 62.50 1gya h VAL 93 Cb 1.28 2.46 -0.22 0.00 -2.13 0.00 0.00 31.29 32.69 1gya h VAL 93 CO 1.25 0.58 -0.03 -0.22 -1.23 0.00 0.00 177.57 177.91 1gya s LEU 94 N -6.23 -0.13 -0.10 4.19 0.20 -1.22 -5.10 118.68 110.29 1gya s LEU 94 Ca -0.02 0.94 -0.06 0.00 0.69 0.00 0.00 54.13 55.68 1gya s LEU 94 Cb 0.09 1.97 0.04 0.00 -0.43 0.00 0.00 46.19 47.85 1gya s LEU 94 CO 0.81 -0.30 0.23 -0.70 -0.29 0.00 0.00 176.35 176.11 1gya s GLU 95 N -0.16 0.23 0.18 1.98 2.12 -1.26 -2.63 118.70 119.15 1gya s GLU 95 Ca -0.04 0.43 -0.10 0.00 0.36 0.00 0.00 54.97 55.63 1gya s GLU 95 Cb -0.03 -0.02 -0.00 0.00 0.26 0.00 0.00 34.13 34.33 1gya s GLU 95 CO 0.03 -0.11 0.33 0.15 -0.54 0.00 0.00 175.26 175.12 1gya s LYS 96 N 0.77 1.22 0.23 4.30 1.02 -0.76 -5.02 119.74 121.51 1gya s LYS 96 Ca -0.05 -1.16 0.11 0.00 0.02 0.00 0.00 55.97 54.89 1gya s LYS 96 Cb -0.07 0.40 -0.05 0.00 -0.52 0.00 0.00 37.83 37.60 1gya s LYS 96 CO -0.05 -0.46 -0.21 0.42 -0.92 0.00 0.00 175.35 174.13 1gya s ILE 97 N -3.97 2.33 0.19 2.17 1.01 -1.25 -0.58 121.20 121.10 1gya s ILE 97 Ca 0.17 -2.20 -0.07 0.00 0.00 0.00 0.00 60.65 58.55 1gya s ILE 97 Cb 0.02 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 1gya s ILE 97 CO 0.01 -0.29 0.27 -0.36 0.00 0.00 0.00 174.94 174.58 1gya s PHE 98 N -2.14 0.61 -0.34 3.97 0.08 0.12 -1.69 117.98 118.59 1gya s PHE 98 Ca 0.24 -0.94 0.07 0.00 0.12 0.00 0.00 56.93 56.42 1gya s PHE 98 Cb -0.06 -0.16 0.19 0.00 -0.57 0.00 0.00 43.02 42.42 1gya s PHE 98 CO 0.12 -0.75 0.59 -0.51 -0.10 0.00 0.00 175.22 174.57 1gya s ASP 99 N -3.03 -1.43 0.60 1.36 1.11 -1.25 -1.79 116.67 112.23 1gya s ASP 99 Ca 0.24 -0.27 -0.18 0.00 0.18 0.00 0.00 52.55 52.52 1gya s ASP 99 Cb 0.04 1.93 -0.03 0.00 1.07 0.00 0.00 42.92 45.92 1gya s ASP 99 CO 0.05 -0.25 1.17 -0.22 1.18 0.00 0.00 175.17 177.10 1gya s LEU 100 N 2.39 3.63 0.19 1.23 0.20 0.31 -2.81 118.68 123.82 1gya s LEU 100 Ca 0.13 2.26 -0.07 0.00 0.69 0.00 0.00 54.13 57.14 1gya s LEU 100 Cb -0.08 -4.59 -0.02 0.00 -0.43 0.00 0.00 46.19 41.08 1gya s LEU 100 CO -0.18 -1.52 0.26 -0.54 -0.29 0.00 0.00 176.35 174.08 1gya s LYS 101 N -3.47 1.25 -0.03 1.98 1.02 -1.19 -3.68 119.74 115.63 1gya s LYS 101 Ca 0.74 -1.36 0.06 0.00 0.02 0.00 0.00 55.97 55.43 1gya s LYS 101 Cb -0.27 0.36 -0.01 0.00 -0.52 0.00 0.00 37.83 37.39 1gya s LYS 101 CO 0.33 -0.45 -0.21 0.42 -0.92 0.00 0.00 175.35 174.52 1gya s ILE 102 N -4.05 1.66 0.02 2.17 -1.09 -1.26 -1.34 121.20 117.32 1gya s ILE 102 Ca 0.26 -0.88 -0.02 0.00 -2.23 0.00 0.00 60.65 57.78 1gya s ILE 102 Cb 0.04 -1.39 -0.04 0.00 -1.58 0.00 0.00 42.46 39.48 1gya s ILE 102 CO 0.06 0.47 0.20 0.00 -1.23 0.00 0.00 174.94 174.45 1gya s GLN 103 N -0.33 3.45 -0.32 2.79 -2.07 -1.12 -4.95 119.66 117.11 1gya s GLN 103 Ca 0.04 -0.35 -0.10 0.00 -1.82 0.00 0.00 55.36 53.12 1gya s GLN 103 Cb -0.10 -3.07 0.19 0.00 -1.09 0.00 0.00 33.01 28.95 1gya s GLN 103 CO 0.00 0.64 1.09 -1.83 -1.32 0.00 0.00 175.29 173.87 1gya s GLU 104 N -2.19 0.13 0.00 9.60 -1.05 -1.26 -4.96 118.70 118.97 1gya s GLU 104 Ca 0.31 -0.06 0.00 0.00 -0.15 0.00 0.00 54.97 55.07 1gya s GLU 104 Cb -0.13 0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.57 1gya s GLU 104 CO 0.23 -0.18 0.13 0.54 0.95 0.00 0.00 175.26 176.93