#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 1.29 -0.01 1.97 0.41 -1.26 -5.16 118.70 115.95 1gya s GLU 2 Ca 0.00 -1.60 -0.28 0.00 -0.41 0.00 0.00 54.97 52.68 1gya s GLU 2 Cb 0.00 -0.90 0.09 0.00 -1.78 0.00 0.00 34.13 31.54 1gya s GLU 2 CO 0.00 0.08 0.80 0.42 -0.49 0.00 0.00 175.26 176.07 1gya s ILE 3 N -3.15 0.00 -0.09 -1.63 1.01 -1.26 -5.16 121.20 110.91 1gya s ILE 3 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 60.65 60.83 1gya s ILE 3 Cb 0.02 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1gya s ILE 3 CO 0.06 0.00 0.10 0.42 0.00 0.00 0.00 174.94 175.52 1gya s THR 4 N -2.40 5.08 -0.42 2.92 -4.23 -1.26 -5.02 115.64 110.32 1gya s THR 4 Ca -0.01 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.58 1gya s THR 4 Cb -0.01 -3.21 0.37 0.00 1.34 0.00 0.00 72.50 70.99 1gya s THR 4 CO -0.03 0.58 1.28 -0.46 -0.54 0.00 0.00 174.62 175.45 1gya n ASN 5 N 1.91 -2.04 -3.78 3.99 0.23 -1.26 -5.14 115.26 109.17 1gya n ASN 5 Ca -0.19 -2.84 -0.11 0.00 -0.53 0.00 0.00 54.58 50.91 1gya n ASN 5 Cb 0.54 1.30 -0.05 0.00 -2.08 0.00 0.00 39.78 39.49 1gya n ASN 5 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gya s ALA 6 N 0.22 0.27 -0.04 -2.53 0.00 -1.26 -3.78 121.76 114.64 1gya s ALA 6 Ca 0.22 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 1gya s ALA 6 Cb 0.36 1.14 0.03 0.00 0.00 0.00 0.00 23.12 24.65 1gya s ALA 6 CO -0.08 -0.80 0.05 -1.17 0.00 0.00 0.00 175.76 173.76 1gya s LEU 7 N -3.11 0.39 -0.13 0.00 2.96 -0.94 -4.92 118.68 112.93 1gya s LEU 7 Ca 0.27 0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.94 1gya s LEU 7 Cb 0.00 -0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.48 1gya s LEU 7 CO 0.13 -0.22 1.64 -1.61 -1.32 0.00 0.00 176.35 174.97 1gya s GLU 8 N 1.92 4.01 -0.22 1.98 8.01 -1.26 -2.30 118.70 130.84 1gya s GLU 8 Ca 0.02 1.96 0.01 0.00 0.01 0.00 0.00 54.97 56.97 1gya s GLU 8 Cb -0.12 -4.01 0.03 0.00 -4.31 0.00 0.00 34.13 25.72 1gya s GLU 8 CO -0.03 -1.05 -0.14 0.95 0.01 0.00 0.00 175.26 175.00 1gya s THR 9 N 4.58 2.29 0.18 3.63 -4.23 -0.95 -4.99 115.64 116.15 1gya s THR 9 Ca 0.73 -1.15 0.05 0.00 -1.18 0.00 0.00 61.69 60.14 1gya s THR 9 Cb -0.30 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1gya s THR 9 CO 0.29 0.31 0.20 0.26 -0.54 0.00 0.00 174.62 175.13 1gya s TRP 10 N 1.25 3.24 0.18 3.99 0.52 -1.26 -0.50 118.94 126.35 1gya s TRP 10 Ca 0.00 -0.00 -0.07 0.00 0.02 0.00 0.00 56.10 56.05 1gya s TRP 10 Cb -0.16 -1.53 0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1gya s TRP 10 CO -0.09 0.51 0.36 0.41 0.02 0.00 0.00 176.95 178.17 1gya n GLY 11 N -0.61 1.51 3.17 0.98 0.00 -1.23 -4.69 105.19 104.33 1gya n GLY 11 Ca -0.08 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.49 1.03 0.20 4.61 0.00 -1.26 -2.40 121.76 122.44 1gya s ALA 12 Ca 0.07 -1.31 -0.30 0.00 0.00 0.00 0.00 51.96 50.42 1gya s ALA 12 Cb -0.02 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.14 1gya s ALA 12 CO 0.05 -0.18 0.97 -0.51 0.00 0.00 0.00 175.76 176.09 1gya s LEU 13 N -2.90 4.59 -0.17 0.00 1.02 -1.26 -2.87 118.68 117.09 1gya s LEU 13 Ca 0.10 1.93 -0.00 0.00 0.02 0.00 0.00 54.13 56.18 1gya s LEU 13 Cb 0.03 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.64 1gya s LEU 13 CO -0.03 0.04 0.05 0.61 0.02 0.00 0.00 176.35 177.05 1gya n GLY 14 N 1.74 0.51 3.53 -3.19 0.00 -1.04 -4.83 105.19 101.91 1gya n GLY 14 Ca -0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.55 0.87 0.58 1.61 2.00 -1.10 -4.43 119.66 114.64 1gya s GLN 15 Ca 0.03 0.03 -0.14 0.00 -2.00 0.00 0.00 55.36 53.28 1gya s GLN 15 Cb -0.01 0.41 -0.05 0.00 0.80 0.00 0.00 33.01 34.15 1gya s GLN 15 CO 0.03 -0.31 1.01 0.34 -0.50 0.00 0.00 175.29 175.87 1gya s ASP 16 N -1.57 6.32 -0.08 6.67 2.15 -1.26 -2.44 116.67 126.46 1gya s ASP 16 Ca -0.03 1.52 -0.07 0.00 0.43 0.00 0.00 52.55 54.39 1gya s ASP 16 Cb -0.00 -2.49 0.02 0.00 -0.30 0.00 0.00 42.92 40.15 1gya s ASP 16 CO 0.01 -0.80 0.22 -0.51 -0.17 0.00 0.00 175.17 173.92 1gya s ILE 17 N -2.89 -0.00 0.22 4.11 2.07 -1.07 -4.62 121.20 119.02 1gya s ILE 17 Ca 0.57 0.01 0.06 0.00 -1.41 0.00 0.00 60.65 59.88 1gya s ILE 17 Cb -0.11 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 1gya s ILE 17 CO 0.43 0.00 0.22 0.54 -1.91 0.00 0.00 174.94 174.23 1gya s ASN 18 N 0.18 5.73 -0.69 4.50 2.20 -1.26 -1.08 114.94 124.52 1gya s ASN 18 Ca -0.00 -0.13 0.05 0.00 -0.94 0.00 0.00 52.86 51.83 1gya s ASN 18 Cb -0.02 -1.54 0.26 0.00 -2.00 0.00 0.00 41.25 37.96 1gya s ASN 18 CO -0.00 -0.01 0.86 0.18 -2.94 0.00 0.00 177.10 175.19 1gya n LEU 19 N -0.97 4.16 -4.53 3.54 7.99 0.49 -4.90 117.00 122.79 1gya n LEU 19 Ca -0.08 -5.44 -0.43 0.00 -0.01 0.00 0.00 56.01 50.05 1gya n LEU 19 Cb 0.57 -0.73 -0.04 0.00 -0.11 0.00 0.00 43.42 43.11 1gya n LEU 19 CO 0.44 2.05 0.87 -1.81 -1.51 0.00 0.00 177.39 177.43 1gya s ASP 20 N -2.49 6.32 -0.21 -1.43 1.01 -1.26 -2.09 116.67 116.52 1gya s ASP 20 Ca 0.40 -0.33 -0.16 0.00 0.71 0.00 0.00 52.55 53.16 1gya s ASP 20 Cb 0.15 -2.47 -0.10 0.00 1.01 0.00 0.00 42.92 41.51 1gya s ASP 20 CO -0.01 -1.38 -0.22 0.00 0.21 0.00 0.00 175.17 173.78 1gya n ILE 21 N 6.29 1.50 -2.79 0.77 0.00 -1.26 -5.03 119.36 118.84 1gya n ILE 21 Ca 0.03 -0.06 -0.38 0.00 0.00 0.00 0.00 62.75 62.34 1gya n ILE 21 Cb 0.48 -2.14 -0.06 0.00 0.00 0.00 0.00 39.64 37.91 1gya n ILE 21 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1gya s PRO 22 N -2.55 4.69 -0.18 9.51 0.04 -1.26 -4.98 135.00 140.26 1gya s PRO 22 Ca -0.30 1.37 0.09 0.00 0.04 0.00 0.00 61.00 62.20 1gya s PRO 22 Cb 0.08 -3.03 0.55 0.00 0.04 0.00 0.00 34.50 32.14 1gya s PRO 22 CO 0.44 0.40 1.40 0.45 0.04 0.00 0.00 177.00 179.74 1gya n SER 23 N 1.02 4.17 -4.55 6.66 2.88 -1.26 -4.97 113.62 117.58 1gya n SER 23 Ca -0.00 -2.71 -0.27 0.00 -1.33 0.00 0.00 58.87 54.56 1gya n SER 23 Cb 0.49 -0.64 -0.10 0.00 -0.75 0.00 0.00 64.21 63.20 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 -2.22 2.17 -0.23 0.66 0.40 -1.26 -5.13 117.98 112.37 1gya s PHE 24 Ca 0.38 -0.86 -0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1gya s PHE 24 Cb 0.29 -1.55 0.07 0.00 0.51 0.00 0.00 43.02 42.35 1gya s PHE 24 CO 0.10 0.21 0.07 -1.14 0.70 0.00 0.00 175.22 175.17 1gya s GLN 25 N -3.79 0.46 0.94 0.44 -0.44 -1.26 -5.10 119.66 110.91 1gya s GLN 25 Ca 0.29 -0.48 -0.12 0.00 -2.50 0.00 0.00 55.36 52.55 1gya s GLN 25 Cb 0.07 -1.87 0.05 0.00 -1.64 0.00 0.00 33.01 29.62 1gya s GLN 25 CO 0.14 -0.77 0.48 -1.33 0.50 0.00 0.00 175.29 174.31 1gya n MET 26 N 5.10 -0.30 0.00 1.67 2.81 -1.26 -4.85 117.12 120.29 1gya n MET 26 Ca -0.07 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1gya n MET 26 Cb 0.46 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 1gya n MET 26 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1gya n SER 27 N -1.61 0.00 0.00 7.83 7.64 -1.26 -5.10 113.62 121.12 1gya n SER 27 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1gya n SER 27 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.62 0.00 -0.16 6.43 5.68 -1.26 -4.90 116.55 121.71 1gya n ASP 28 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.33 1gya n ASP 28 Cb 0.00 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.04 1gya n ASP 28 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1gya n ASP 29 N 0.00 1.41 -4.69 -1.12 9.92 -1.26 -5.05 116.55 115.77 1gya n ASP 29 Ca 0.00 -2.37 -0.42 0.00 -0.53 0.00 0.00 54.79 51.47 1gya n ASP 29 Cb 0.00 -0.24 -0.03 0.00 -0.64 0.00 0.00 41.12 40.21 1gya n ASP 29 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1gya s ILE 30 N -1.45 3.02 0.00 0.53 -1.09 -1.26 -1.88 121.20 119.07 1gya s ILE 30 Ca 0.14 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 1gya s ILE 30 Cb 0.12 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1gya s ILE 30 CO 0.01 -0.00 0.00 -0.67 -1.23 0.00 0.00 174.94 173.05 1gya n ASP 31 N 5.73 3.30 -4.62 3.58 2.03 -1.15 -4.85 116.55 120.57 1gya n ASP 31 Ca 0.16 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.18 1gya n ASP 31 Cb 0.40 0.03 -0.09 0.00 -0.72 0.00 0.00 41.12 40.75 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 -3.71 4.63 -0.09 1.67 1.01 -0.64 -4.64 116.67 114.90 1gya s ASP 32 Ca 0.00 -0.34 -0.03 0.00 0.71 0.00 0.00 52.55 52.89 1gya s ASP 32 Cb 0.00 -0.96 0.04 0.00 1.01 0.00 0.00 42.92 43.01 1gya s ASP 32 CO 0.00 0.16 0.09 -0.63 0.21 0.00 0.00 175.17 175.00 1gya s ILE 33 N -1.36 -0.14 0.14 0.77 1.01 -1.07 -1.22 121.20 119.33 1gya s ILE 33 Ca 0.24 0.24 0.11 0.00 0.00 0.00 0.00 60.65 61.24 1gya s ILE 33 Cb -0.11 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1gya s ILE 33 CO 0.16 0.04 -0.25 -0.54 0.00 0.00 0.00 174.94 174.35 1gya s LYS 34 N 2.19 1.49 -0.15 2.79 3.01 -0.72 -0.78 119.74 127.57 1gya s LYS 34 Ca 0.04 -1.35 -0.04 0.00 -1.01 0.00 0.00 55.97 53.61 1gya s LYS 34 Cb -0.13 -1.93 0.07 0.00 -1.01 0.00 0.00 37.83 34.83 1gya s LYS 34 CO -0.05 0.45 0.25 -1.58 0.51 0.00 0.00 175.35 174.92 1gya s TRP 35 N -1.19 -0.39 0.29 3.18 0.52 0.84 -2.16 118.94 120.04 1gya s TRP 35 Ca 0.16 0.77 0.07 0.00 0.02 0.00 0.00 56.10 57.12 1gya s TRP 35 Cb -0.10 -0.13 -0.03 0.00 -1.15 0.00 0.00 33.47 32.07 1gya s TRP 35 CO 0.07 -0.42 0.26 -1.21 0.02 0.00 0.00 176.95 175.67 1gya s GLU 36 N 2.40 2.90 -0.43 4.98 2.02 -0.37 -1.57 118.70 128.62 1gya s GLU 36 Ca 0.03 -1.12 -0.14 0.00 0.02 0.00 0.00 54.97 53.76 1gya s GLU 36 Cb -0.13 -2.57 0.04 0.00 0.10 0.00 0.00 34.13 31.57 1gya s GLU 36 CO -0.09 0.26 0.32 0.21 0.02 0.00 0.00 175.26 175.98 1gya s LYS 37 N -3.93 2.93 0.42 1.61 2.20 -0.59 -2.61 119.74 119.77 1gya s LYS 37 Ca 0.37 -1.18 0.20 0.00 -0.36 0.00 0.00 55.97 55.00 1gya s LYS 37 Cb -0.07 -3.99 1.13 0.00 -1.51 0.00 0.00 37.83 33.40 1gya s LYS 37 CO 0.26 -0.86 1.82 1.79 -0.36 0.00 0.00 175.35 178.00 1gya h THR 38 N 5.74 0.59 0.00 3.43 1.35 -1.78 -0.22 112.91 122.02 1gya h THR 38 Ca -0.27 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1gya h THR 38 Cb 1.11 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1gya h THR 38 CO 0.78 0.07 0.00 -1.20 -0.25 0.00 0.00 175.52 174.91 1gya n SER 39 N -4.53 0.00 -1.22 5.36 7.64 -1.26 -3.35 113.62 116.26 1gya n SER 39 Ca 0.22 0.70 0.09 0.00 1.01 0.00 0.00 58.87 60.89 1gya n SER 39 Cb 0.82 -0.20 0.28 0.00 -1.01 0.00 0.00 64.21 64.10 1gya n SER 39 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1gya n ASP 40 N -1.33 3.56 -3.65 6.43 5.75 -1.20 -4.93 116.55 121.18 1gya n ASP 40 Ca 0.00 -2.17 -0.26 0.00 -0.01 0.00 0.00 54.79 52.35 1gya n ASP 40 Cb 0.00 -0.46 0.04 0.00 -1.03 0.00 0.00 41.12 39.67 1gya n ASP 40 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1gya n LYS 41 N 1.08 -2.62 -4.10 0.11 4.81 -0.12 -4.99 118.16 112.33 1gya n LYS 41 Ca 0.20 0.56 -0.20 0.00 -0.87 0.00 0.00 58.31 58.00 1gya n LYS 41 Cb 0.62 -4.72 -0.16 0.00 0.02 0.00 0.00 35.03 30.79 1gya n LYS 41 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1gya s LYS 42 N -5.80 0.76 0.65 1.64 -0.14 -1.06 -4.87 119.74 110.92 1gya s LYS 42 Ca 0.29 -0.07 -0.17 0.00 -1.36 0.00 0.00 55.97 54.66 1gya s LYS 42 Cb -0.09 -0.81 -0.12 0.00 -1.68 0.00 0.00 37.83 35.13 1gya s LYS 42 CO 0.83 -0.11 -0.06 1.63 -0.76 0.00 0.00 175.35 176.88 1gya n LYS 43 N 4.15 0.11 0.00 1.68 5.02 -1.26 -1.54 118.16 126.32 1gya n LYS 43 Ca -0.24 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1gya n LYS 43 Cb 0.51 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1gya n LYS 43 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1gya n ILE 44 N -1.89 0.00 -3.69 -0.18 5.41 -0.61 -4.63 119.36 113.78 1gya n ILE 44 Ca 0.07 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.71 1gya n ILE 44 Cb 0.49 -0.92 -0.09 0.00 -0.71 0.00 0.00 39.64 38.41 1gya n ILE 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1gya s ALA 45 N -1.96 -1.31 -0.10 -1.39 0.00 -0.92 -4.77 121.76 111.32 1gya s ALA 45 Ca 0.00 1.67 -0.21 0.00 0.00 0.00 0.00 51.96 53.42 1gya s ALA 45 Cb 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 23.12 22.18 1gya s ALA 45 CO 0.00 -0.28 0.50 -1.14 0.00 0.00 0.00 175.76 174.84 1gya s GLN 46 N 0.95 0.75 -0.02 0.00 -0.44 -1.07 -0.11 119.66 119.72 1gya s GLN 46 Ca -0.05 0.31 0.03 0.00 -2.50 0.00 0.00 55.36 53.15 1gya s GLN 46 Cb -0.06 0.35 -0.00 0.00 -1.64 0.00 0.00 33.01 31.66 1gya s GLN 46 CO -0.08 -0.18 -0.11 -0.06 0.50 0.00 0.00 175.29 175.36 1gya s PHE 47 N -0.63 1.07 -0.40 1.67 0.08 0.04 -2.30 117.98 117.51 1gya s PHE 47 Ca -0.07 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 56.74 1gya s PHE 47 Cb -0.03 -0.72 0.19 0.00 -0.57 0.00 0.00 43.02 41.88 1gya s PHE 47 CO 0.04 -0.07 0.83 0.50 -0.10 0.00 0.00 175.22 176.42 1gya s ARG 48 N -0.01 0.61 0.45 0.44 3.52 -1.26 -2.60 118.95 120.10 1gya s ARG 48 Ca -0.00 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 1gya s ARG 48 Cb -0.07 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.35 1gya s ARG 48 CO 0.00 -0.83 0.00 1.63 -0.81 0.00 0.00 175.30 175.29 1gya n LYS 49 N 3.66 -2.69 -0.97 5.12 5.02 -1.26 -4.44 118.16 122.61 1gya n LYS 49 Ca 0.11 2.15 -0.14 0.00 -2.02 0.00 0.00 58.31 58.41 1gya n LYS 49 Cb 0.60 -2.89 -0.03 0.00 -0.02 0.00 0.00 35.03 32.69 1gya n LYS 49 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1gya n GLU 50 N -3.11 1.80 -0.00 1.97 1.02 -1.26 -3.90 120.64 117.17 1gya n GLU 50 Ca -0.04 -1.29 0.05 0.00 -0.02 0.00 0.00 57.16 55.86 1gya n GLU 50 Cb 0.44 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.15 3.35 0.00 3.49 4.81 -1.26 -5.03 118.16 124.67 1gya n LYS 51 Ca 0.30 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1gya n LYS 51 Cb 0.62 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.65 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 -1.26 0.00 -4.17 1.64 2.13 -1.25 -5.19 120.64 112.53 1gya n GLU 52 Ca 0.02 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.73 1gya n GLU 52 Cb 0.17 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.78 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 0.50 -0.36 6.31 -4.23 -1.26 -4.40 115.64 112.19 1gya s THR 53 Ca 0.00 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1gya s THR 53 Cb 0.00 -1.86 0.09 0.00 1.34 0.00 0.00 72.50 72.07 1gya s THR 53 CO 0.00 -0.70 0.12 0.12 -0.54 0.00 0.00 174.62 173.63 1gya s PHE 54 N -3.76 3.47 -0.31 3.99 2.19 -0.97 -5.01 117.98 117.57 1gya s PHE 54 Ca 0.17 -2.20 0.04 0.00 0.33 0.00 0.00 56.93 55.26 1gya s PHE 54 Cb 0.06 -2.78 0.17 0.00 -1.31 0.00 0.00 43.02 39.16 1gya s PHE 54 CO -0.02 -0.90 0.46 0.15 1.83 0.00 0.00 175.22 176.74 1gya s LYS 55 N 1.18 0.52 -0.08 10.12 1.02 -1.26 -2.61 119.74 128.63 1gya s LYS 55 Ca 0.03 0.02 -0.19 0.00 0.02 0.00 0.00 55.97 55.86 1gya s LYS 55 Cb -0.21 -0.22 -0.15 0.00 -0.52 0.00 0.00 37.83 36.73 1gya s LYS 55 CO -0.03 -1.08 0.69 0.93 -0.92 0.00 0.00 175.35 174.94 1gya h GLU 56 N 7.85 -0.14 -3.34 1.68 5.08 -1.86 -3.49 114.58 120.37 1gya h GLU 56 Ca -0.04 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1gya h GLU 56 Cb 1.13 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1gya h GLU 56 CO 0.22 0.32 0.12 -1.59 -1.00 0.00 0.00 179.01 177.08 1gya s LYS 57 N -2.84 2.03 0.36 2.33 -2.85 -1.26 -5.03 119.74 112.49 1gya s LYS 57 Ca -0.11 -1.44 0.03 0.00 -1.00 0.00 0.00 55.97 53.45 1gya s LYS 57 Cb -0.00 0.57 0.69 0.00 -2.06 0.00 0.00 37.83 37.02 1gya s LYS 57 CO 0.43 -0.92 2.01 -0.44 0.10 0.00 0.00 175.35 176.53 1gya h ASP 58 N 2.05 0.65 0.00 0.03 3.32 -1.97 -2.78 116.42 117.72 1gya h ASP 58 Ca -0.29 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1gya h ASP 58 Cb 1.25 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1gya h ASP 58 CO 0.37 0.49 0.25 0.74 -1.72 0.00 0.00 179.24 179.37 1gya h THR 59 N 0.76 0.00 -1.95 0.35 2.02 -1.87 -3.08 112.91 109.15 1gya h THR 59 Ca 0.20 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 67.00 1gya h THR 59 Cb -0.06 0.48 -0.31 0.00 -1.74 0.00 0.00 68.15 66.52 1gya h THR 59 CO -0.04 0.00 -0.71 -0.31 0.37 0.00 0.00 175.52 174.83 1gya s TYR 60 N -3.65 -0.21 0.24 3.16 2.02 -1.05 -2.21 117.35 115.65 1gya s TYR 60 Ca -0.02 -0.98 0.07 0.00 -0.37 0.00 0.00 57.07 55.77 1gya s TYR 60 Cb 0.06 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 1gya s TYR 60 CO 0.20 -0.97 0.19 0.21 -1.57 0.00 0.00 175.55 173.60 1gya s LYS 61 N 1.25 2.90 -0.11 -0.62 2.20 -0.57 -4.56 119.74 120.23 1gya s LYS 61 Ca 0.19 -1.05 0.02 0.00 -0.36 0.00 0.00 55.97 54.77 1gya s LYS 61 Cb -0.13 -2.56 -0.01 0.00 -1.51 0.00 0.00 37.83 33.62 1gya s LYS 61 CO -0.04 0.41 -0.19 -1.17 -0.36 0.00 0.00 175.35 174.00 1gya s LEU 62 N -3.78 2.35 0.49 5.43 2.96 -1.26 -2.29 118.68 122.58 1gya s LEU 62 Ca 0.33 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 53.86 1gya s LEU 62 Cb -0.08 -1.50 0.04 0.00 0.50 0.00 0.00 46.19 45.15 1gya s LEU 62 CO 0.25 0.16 0.62 -0.36 -1.32 0.00 0.00 176.35 175.69 1gya s PHE 63 N 0.36 2.16 0.21 5.38 0.08 0.22 -5.00 117.98 121.38 1gya s PHE 63 Ca -0.15 -0.57 0.02 0.00 0.12 0.00 0.00 56.93 56.34 1gya s PHE 63 Cb -0.17 -2.25 0.16 0.00 -0.57 0.00 0.00 43.02 40.19 1gya s PHE 63 CO 0.07 -0.67 1.50 -0.22 -0.10 0.00 0.00 175.22 175.80 1gya h LYS 64 N 0.52 0.30 -0.06 0.44 3.64 -2.01 -3.13 116.57 116.28 1gya h LYS 64 Ca -0.36 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1gya h LYS 64 Cb 1.28 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1gya h LYS 64 CO 0.46 0.86 0.00 0.27 -2.27 0.00 0.00 179.45 178.77 1gya n ASN 65 N -3.85 0.75 0.00 4.20 0.23 -1.26 -4.88 115.26 110.45 1gya n ASN 65 Ca -0.03 -1.46 0.00 0.00 -0.53 0.00 0.00 54.58 52.56 1gya n ASN 65 Cb 0.66 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.33 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 0.99 0.62 3.85 4.83 0.00 -1.18 -4.73 105.19 109.57 1gya n GLY 66 Ca 0.17 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 4.87 -0.11 2.61 2.01 -1.26 -4.33 115.64 117.42 1gya s THR 67 Ca 0.00 0.72 0.03 0.00 0.31 0.00 0.00 61.69 62.75 1gya s THR 67 Cb 0.00 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.82 1gya s THR 67 CO 0.00 0.12 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.61 1gya s LEU 68 N -2.30 2.04 -0.01 4.42 2.96 -0.89 -0.61 118.68 124.29 1gya s LEU 68 Ca 0.42 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1gya s LEU 68 Cb -0.13 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 1gya s LEU 68 CO 0.20 0.11 0.08 -1.59 -1.32 0.00 0.00 176.35 173.83 1gya s LYS 69 N 0.60 3.08 -0.44 1.98 -2.85 -0.97 0.19 119.74 121.33 1gya s LYS 69 Ca -0.13 -0.47 -0.03 0.00 -1.00 0.00 0.00 55.97 54.34 1gya s LYS 69 Cb -0.17 -2.87 0.12 0.00 -2.06 0.00 0.00 37.83 32.85 1gya s LYS 69 CO 0.04 0.65 0.24 0.42 0.10 0.00 0.00 175.35 176.80 1gya s ILE 70 N -1.19 3.39 0.14 3.79 1.01 -0.24 -1.51 121.20 126.59 1gya s ILE 70 Ca 0.23 -2.16 -0.30 0.00 0.00 0.00 0.00 60.65 58.41 1gya s ILE 70 Cb -0.12 -3.30 -0.07 0.00 0.01 0.00 0.00 42.46 38.98 1gya s ILE 70 CO 0.14 -0.72 1.06 -0.75 0.00 0.00 0.00 174.94 174.66 1gya s LYS 71 N 0.99 4.62 0.00 2.79 2.20 -0.94 -2.59 119.74 126.81 1gya s LYS 71 Ca 0.09 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1gya s LYS 71 Cb -0.23 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1gya s LYS 71 CO -0.04 0.10 0.00 1.58 -0.36 0.00 0.00 175.35 176.63 1gya n HIS 72 N 2.67 0.00 -3.84 4.03 -0.00 -1.26 -4.62 115.22 112.20 1gya n HIS 72 Ca 0.03 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.79 1gya n HIS 72 Cb 0.47 -0.98 0.01 0.00 -0.00 0.00 0.00 29.99 29.49 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 -0.92 -0.00 0.00 0.27 1.43 -1.02 -4.48 118.68 113.95 1gya s LEU 73 Ca 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1gya s LEU 73 Cb 0.00 1.06 0.00 0.00 0.03 0.00 0.00 46.19 47.28 1gya s LEU 73 CO 0.00 -0.05 0.00 0.29 0.23 0.00 0.00 176.35 176.82 1gya n LYS 74 N -0.78 3.13 -0.24 1.70 5.02 -1.26 -2.50 118.16 123.22 1gya n LYS 74 Ca -0.00 0.00 0.32 0.00 -2.02 0.00 0.00 58.31 56.61 1gya n LYS 74 Cb 0.60 0.00 0.66 0.00 -0.02 0.00 0.00 35.03 36.27 1gya n LYS 74 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1gya h THR 75 N 0.00 0.20 -0.07 -0.18 2.02 -1.92 -0.14 112.91 112.83 1gya h THR 75 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1gya h THR 75 Cb 0.00 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1gya h THR 75 CO 0.00 0.00 0.02 0.44 0.37 0.00 0.00 175.52 176.35 1gya h ASP 76 N 0.00 0.10 0.61 4.18 3.32 -2.00 -1.91 116.42 120.72 1gya h ASP 76 Ca 0.51 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1gya h ASP 76 Cb 2.43 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.95 1gya h ASP 76 CO -0.01 0.28 0.00 0.47 -1.72 0.00 0.00 179.24 178.26 1gya n ASP 77 N -4.92 0.20 -4.46 6.45 9.92 -0.11 -4.55 116.55 119.07 1gya n ASP 77 Ca -0.06 0.55 -0.43 0.00 -0.53 0.00 0.00 54.79 54.31 1gya n ASP 77 Cb 0.13 -0.59 -0.04 0.00 -0.64 0.00 0.00 41.12 39.99 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 -3.09 3.13 0.23 -1.24 -0.44 -0.72 -4.99 119.66 112.56 1gya s GLN 78 Ca 0.07 -0.77 0.01 0.00 -2.50 0.00 0.00 55.36 52.17 1gya s GLN 78 Cb 0.10 -4.21 -0.05 0.00 -1.64 0.00 0.00 33.01 27.22 1gya s GLN 78 CO 0.32 -1.78 0.09 -0.51 0.50 0.00 0.00 175.29 173.91 1gya s ASP 79 N 3.57 1.03 0.20 6.67 1.01 -1.26 -4.84 116.67 123.05 1gya s ASP 79 Ca 0.23 -1.35 -0.23 0.00 0.71 0.00 0.00 52.55 51.91 1gya s ASP 79 Cb -0.16 0.19 -0.08 0.00 1.01 0.00 0.00 42.92 43.87 1gya s ASP 79 CO 0.11 -0.72 0.77 -0.63 0.21 0.00 0.00 175.17 174.91 1gya s ILE 80 N -3.80 4.44 0.21 0.77 1.01 -1.26 -1.08 121.20 121.48 1gya s ILE 80 Ca 0.35 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.55 1gya s ILE 80 Cb 0.07 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1gya s ILE 80 CO 0.12 0.36 0.09 -0.31 0.00 0.00 0.00 174.94 175.20 1gya s TYR 81 N -1.34 1.27 -0.15 3.97 2.02 -1.07 -2.49 117.35 119.55 1gya s TYR 81 Ca 0.40 -1.25 -0.11 0.00 -0.37 0.00 0.00 57.07 55.74 1gya s TYR 81 Cb -0.20 -0.69 0.05 0.00 -0.40 0.00 0.00 41.96 40.72 1gya s TYR 81 CO 0.24 -0.46 0.38 0.21 -1.57 0.00 0.00 175.55 174.34 1gya s LYS 82 N -4.07 0.40 -0.12 -0.62 2.36 -1.07 0.31 119.74 116.92 1gya s LYS 82 Ca 0.35 0.62 0.02 0.00 -2.55 0.00 0.00 55.97 54.40 1gya s LYS 82 Cb 0.07 0.10 -0.00 0.00 -1.05 0.00 0.00 37.83 36.95 1gya s LYS 82 CO 0.10 -0.10 -0.19 0.54 1.55 0.00 0.00 175.35 177.25 1gya s VAL 83 N 0.72 2.44 -0.23 4.02 0.11 0.34 -1.24 120.40 126.56 1gya s VAL 83 Ca -0.04 -0.87 -0.03 0.00 -2.93 0.00 0.00 61.98 58.11 1gya s VAL 83 Cb -0.05 -1.98 0.07 0.00 -1.53 0.00 0.00 36.38 32.88 1gya s VAL 83 CO -0.05 0.54 0.06 -0.94 -3.33 0.00 0.00 175.10 171.38 1gya s SER 84 N 0.51 3.20 -0.23 3.54 1.04 -0.92 -1.61 113.70 119.23 1gya s SER 84 Ca -0.12 -1.04 -0.05 0.00 0.48 0.00 0.00 55.95 55.22 1gya s SER 84 Cb -0.17 -0.62 -0.01 0.00 0.10 0.00 0.00 66.02 65.32 1gya s SER 84 CO 0.05 -0.34 -0.01 -0.63 0.98 0.00 0.00 173.24 173.28 1gya s ILE 85 N 1.84 3.56 0.43 -1.02 -1.09 -0.87 -1.76 121.20 122.29 1gya s ILE 85 Ca 0.02 -0.49 0.07 0.00 -2.23 0.00 0.00 60.65 58.02 1gya s ILE 85 Cb -0.17 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.02 1gya s ILE 85 CO -0.15 0.36 0.30 -0.31 -1.23 0.00 0.00 174.94 173.92 1gya s TYR 86 N 1.50 2.54 0.00 3.97 1.51 -0.36 -3.03 117.35 123.49 1gya s TYR 86 Ca 0.05 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1gya s TYR 86 Cb -0.15 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 1gya s TYR 86 CO -0.02 -0.04 0.00 -0.40 -1.11 0.00 0.00 175.55 173.98 1gya n ASP 87 N -1.45 0.00 0.25 2.29 5.75 -1.05 -1.62 116.55 120.72 1gya n ASP 87 Ca 0.01 -0.84 0.12 0.00 -0.01 0.00 0.00 54.79 54.07 1gya n ASP 87 Cb 0.63 0.00 0.74 0.00 -1.03 0.00 0.00 41.12 41.46 1gya n ASP 87 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1gya h THR 88 N -0.25 0.80 -0.16 2.12 1.35 -1.70 -2.87 112.91 112.19 1gya h THR 88 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1gya h THR 88 Cb 0.00 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1gya h THR 88 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1gya n LYS 89 N -4.27 1.79 -0.90 4.72 5.02 -1.26 -4.91 118.16 118.36 1gya n LYS 89 Ca -0.02 -1.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.08 1gya n LYS 89 Cb 0.13 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.17 0.87 3.76 0.72 0.00 -1.08 -5.02 105.19 105.61 1gya n GLY 90 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.10 4.74 -1.05 1.61 1.02 -1.26 -4.85 119.74 119.85 1gya s LYS 91 Ca 0.00 1.38 -0.23 0.00 0.02 0.00 0.00 55.97 57.14 1gya s LYS 91 Cb 0.00 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 1gya s LYS 91 CO 0.00 0.49 1.84 0.54 -0.92 0.00 0.00 175.35 177.30 1gya s ASN 92 N -1.26 5.50 0.37 2.83 2.20 -1.26 -2.52 114.94 120.80 1gya s ASN 92 Ca 0.42 -1.28 0.20 0.00 -0.94 0.00 0.00 52.86 51.26 1gya s ASN 92 Cb -0.24 -2.57 0.41 0.00 -2.00 0.00 0.00 41.25 36.85 1gya s ASN 92 CO 0.29 -2.49 1.61 -0.37 -2.94 0.00 0.00 177.10 173.21 1gya h VAL 93 N 6.69 0.54 -3.12 3.54 -1.51 -1.90 -3.44 116.25 117.05 1gya h VAL 93 Ca 0.19 -1.56 -0.14 0.00 -1.23 0.00 0.00 66.70 63.96 1gya h VAL 93 Cb 0.97 2.11 -0.23 0.00 -2.13 0.00 0.00 31.29 32.02 1gya h VAL 93 CO 1.28 0.28 -0.36 -0.22 -1.23 0.00 0.00 177.57 177.31 1gya s LEU 94 N -6.47 1.00 0.20 4.19 1.98 -1.17 -5.08 118.68 113.32 1gya s LEU 94 Ca 0.04 0.26 -0.17 0.00 -2.89 0.00 0.00 54.13 51.37 1gya s LEU 94 Cb 0.08 1.03 0.02 0.00 0.66 0.00 0.00 46.19 47.98 1gya s LEU 94 CO 0.69 -0.27 0.51 -0.70 -1.89 0.00 0.00 176.35 174.68 1gya s GLU 95 N -0.66 1.38 -0.27 1.98 -6.30 -1.26 -2.05 118.70 111.52 1gya s GLU 95 Ca -0.08 -0.90 -0.36 0.00 -2.50 0.00 0.00 54.97 51.13 1gya s GLU 95 Cb -0.04 0.51 0.16 0.00 0.00 0.00 0.00 34.13 34.76 1gya s GLU 95 CO 0.02 -0.58 1.34 0.15 0.02 0.00 0.00 175.26 176.21 1gya s LYS 96 N -3.89 0.10 0.26 4.30 1.02 -0.63 -5.01 119.74 115.88 1gya s LYS 96 Ca 0.10 -0.03 0.09 0.00 0.02 0.00 0.00 55.97 56.16 1gya s LYS 96 Cb -0.01 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 1gya s LYS 96 CO -0.02 -0.04 0.00 0.42 -0.92 0.00 0.00 175.35 174.79 1gya s ILE 97 N -1.93 3.49 0.19 2.17 1.01 -1.25 -0.50 121.20 124.39 1gya s ILE 97 Ca 0.11 -1.86 -0.00 0.00 0.00 0.00 0.00 60.65 58.89 1gya s ILE 97 Cb -0.01 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1gya s ILE 97 CO -0.04 -0.35 0.10 -0.36 0.00 0.00 0.00 174.94 174.29 1gya s PHE 98 N -2.27 1.17 -0.28 3.97 0.40 0.15 -2.22 117.98 118.91 1gya s PHE 98 Ca 0.31 -1.28 -0.04 0.00 -0.60 0.00 0.00 56.93 55.32 1gya s PHE 98 Cb -0.07 -0.62 0.15 0.00 0.51 0.00 0.00 43.02 42.99 1gya s PHE 98 CO 0.20 -0.52 0.55 0.34 0.70 0.00 0.00 175.22 176.49 1gya s ASP 99 N -3.17 -0.88 0.99 1.36 -1.08 -0.97 -2.60 116.67 110.33 1gya s ASP 99 Ca 0.34 0.95 -0.17 0.00 -0.52 0.00 0.00 52.55 53.15 1gya s ASP 99 Cb 0.07 1.90 -0.12 0.00 -1.46 0.00 0.00 42.92 43.32 1gya s ASP 99 CO 0.09 -0.25 -0.63 0.00 0.52 0.00 0.00 175.17 174.90 1gya n LEU 100 N 5.42 -4.71 -3.86 -1.34 -0.00 -0.24 -2.25 117.00 110.02 1gya n LEU 100 Ca -0.05 0.19 -0.07 0.00 -0.00 0.00 0.00 56.01 56.07 1gya n LEU 100 Cb 0.50 -0.83 -0.01 0.00 -0.00 0.00 0.00 43.42 43.08 1gya n LEU 100 CO 0.01 -5.30 0.47 -0.54 -0.00 0.00 0.00 177.39 172.03 1gya s LYS 101 N -2.32 1.85 -0.15 1.47 -0.14 0.35 -4.64 119.74 116.16 1gya s LYS 101 Ca 0.43 -1.07 -0.13 0.00 -1.36 0.00 0.00 55.97 53.85 1gya s LYS 101 Cb -0.16 0.61 0.04 0.00 -1.68 0.00 0.00 37.83 36.64 1gya s LYS 101 CO 0.79 -0.85 0.39 0.42 -0.76 0.00 0.00 175.35 175.33 1gya s ILE 102 N -3.67 -0.00 -0.37 2.17 -1.09 -1.26 -3.49 121.20 113.48 1gya s ILE 102 Ca 0.12 0.02 -0.13 0.00 -2.23 0.00 0.00 60.65 58.42 1gya s ILE 102 Cb -0.06 -0.55 0.00 0.00 -1.58 0.00 0.00 42.46 40.28 1gya s ILE 102 CO 0.08 0.01 0.26 0.00 -1.23 0.00 0.00 174.94 174.05 1gya s GLN 103 N 0.41 3.22 0.00 2.79 -2.07 -1.01 -4.91 119.66 118.09 1gya s GLN 103 Ca -0.02 -0.84 0.00 0.00 -1.82 0.00 0.00 55.36 52.68 1gya s GLN 103 Cb -0.04 -3.86 0.00 0.00 -1.09 0.00 0.00 33.01 28.02 1gya s GLN 103 CO -0.02 -0.59 0.00 -0.85 -1.32 0.00 0.00 175.29 172.51 1gya n GLU 104 N 5.11 0.00 0.00 9.60 -0.00 -1.26 -4.91 120.64 129.19 1gya n GLU 104 Ca -0.12 0.00 0.06 0.00 -0.00 0.00 0.00 57.16 57.10 1gya n GLU 104 Cb 0.48 0.00 0.05 0.00 -0.00 0.00 0.00 31.44 31.97 1gya n GLU 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67