#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 3.59 -0.42 -1.58 1.03 -1.26 -5.07 118.70 114.99 1gya s GLU 2 Ca 0.00 -0.38 -0.05 0.00 0.03 0.00 0.00 54.97 54.57 1gya s GLU 2 Cb 0.00 -3.03 0.10 0.00 -0.80 0.00 0.00 34.13 30.40 1gya s GLU 2 CO 0.00 0.43 0.23 0.42 -1.33 0.00 0.00 175.26 175.02 1gya s ILE 3 N -0.11 3.64 0.50 1.83 -1.09 -1.26 -5.07 121.20 119.64 1gya s ILE 3 Ca 0.05 -1.84 0.05 0.00 -2.23 0.00 0.00 60.65 56.69 1gya s ILE 3 Cb -0.12 -3.40 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1gya s ILE 3 CO 0.02 -0.64 0.28 0.42 -1.23 0.00 0.00 174.94 173.79 1gya s THR 4 N 1.25 1.78 -0.30 2.92 -4.23 -1.26 -5.07 115.64 110.73 1gya s THR 4 Ca 0.06 -1.62 0.18 0.00 -1.18 0.00 0.00 61.69 59.13 1gya s THR 4 Cb -0.23 -2.39 0.48 0.00 1.34 0.00 0.00 72.50 71.70 1gya s THR 4 CO -0.02 0.00 1.08 -0.46 -0.54 0.00 0.00 174.62 174.68 1gya n ASN 5 N -1.55 2.32 -3.70 3.99 6.94 -1.26 -5.10 115.26 116.90 1gya n ASN 5 Ca -0.04 -2.62 -0.08 0.00 -0.02 0.00 0.00 54.58 51.82 1gya n ASN 5 Cb 0.65 -0.47 -0.02 0.00 -2.36 0.00 0.00 39.78 37.57 1gya n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gya s ALA 6 N -3.57 -0.71 -0.26 -2.53 0.00 -1.26 -3.03 121.76 110.41 1gya s ALA 6 Ca 0.32 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1gya s ALA 6 Cb 0.38 0.91 0.05 0.00 0.00 0.00 0.00 23.12 24.46 1gya s ALA 6 CO -0.02 -0.96 -0.08 -1.17 0.00 0.00 0.00 175.76 173.53 1gya s LEU 7 N -3.00 3.44 -0.91 0.00 2.96 -1.09 -4.99 118.68 115.10 1gya s LEU 7 Ca 0.17 -1.24 -0.24 0.00 -0.22 0.00 0.00 54.13 52.59 1gya s LEU 7 Cb -0.04 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 45.09 1gya s LEU 7 CO 0.09 -0.19 1.37 -1.83 -1.32 0.00 0.00 176.35 174.48 1gya s GLU 8 N 1.18 3.43 0.04 1.98 -1.05 -1.26 -3.36 118.70 119.66 1gya s GLU 8 Ca -0.06 -0.79 -0.00 0.00 -0.15 0.00 0.00 54.97 53.97 1gya s GLU 8 Cb -0.19 -4.88 -0.04 0.00 -0.44 0.00 0.00 34.13 28.58 1gya s GLU 8 CO -0.04 -2.18 0.17 -0.08 0.95 0.00 0.00 175.26 174.08 1gya s THR 9 N 5.23 5.21 0.03 1.83 -1.32 -1.20 -5.04 115.64 120.38 1gya s THR 9 Ca 0.41 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1gya s THR 9 Cb -0.03 -3.50 -0.03 0.00 -1.51 0.00 0.00 72.50 67.43 1gya s THR 9 CO -0.00 0.19 -0.04 0.26 -2.21 0.00 0.00 174.62 172.83 1gya s TRP 10 N -1.43 0.38 0.25 9.09 0.52 -1.26 -1.56 118.94 124.94 1gya s TRP 10 Ca 0.31 -0.66 -0.10 0.00 0.02 0.00 0.00 56.10 55.68 1gya s TRP 10 Cb -0.13 -0.27 0.04 0.00 -1.15 0.00 0.00 33.47 31.97 1gya s TRP 10 CO 0.24 -0.22 0.53 0.41 0.02 0.00 0.00 176.95 177.93 1gya n GLY 11 N 1.21 1.30 3.73 0.98 0.00 -0.01 -4.89 105.19 107.51 1gya n GLY 11 Ca -0.21 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.71 3.45 0.19 4.61 0.00 -1.26 -1.75 121.76 125.30 1gya s ALA 12 Ca 0.11 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.04 1gya s ALA 12 Cb -0.03 -0.84 -0.08 0.00 0.00 0.00 0.00 23.12 22.17 1gya s ALA 12 CO 0.08 0.11 1.04 -0.51 0.00 0.00 0.00 175.76 176.47 1gya s LEU 13 N -3.82 4.53 -0.18 0.00 1.02 -1.25 -2.90 118.68 116.08 1gya s LEU 13 Ca 0.36 2.02 -0.00 0.00 0.02 0.00 0.00 54.13 56.52 1gya s LEU 13 Cb -0.04 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.56 1gya s LEU 13 CO 0.23 -0.10 0.04 0.61 0.02 0.00 0.00 176.35 177.15 1gya n GLY 14 N 1.86 0.43 2.86 -3.19 0.00 -0.89 -4.80 105.19 101.46 1gya n GLY 14 Ca 0.01 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 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 -4.41 0.60 0.12 1.61 2.00 -1.14 -4.51 119.66 113.92 1gya s GLN 15 Ca 0.02 -0.02 -0.30 0.00 -2.00 0.00 0.00 55.36 53.06 1gya s GLN 15 Cb -0.01 -0.69 -0.06 0.00 0.80 0.00 0.00 33.01 33.05 1gya s GLN 15 CO 0.02 -0.11 1.00 0.34 -0.50 0.00 0.00 175.29 176.04 1gya s ASP 16 N 1.00 7.43 0.03 6.67 2.15 -1.26 -3.20 116.67 129.48 1gya s ASP 16 Ca -0.10 1.87 0.04 0.00 0.43 0.00 0.00 52.55 54.80 1gya s ASP 16 Cb -0.14 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 39.87 1gya s ASP 16 CO -0.01 -0.12 -0.13 -0.51 -0.17 0.00 0.00 175.17 174.24 1gya s ILE 17 N -0.02 0.99 0.28 4.11 -1.16 -0.76 -4.95 121.20 119.69 1gya s ILE 17 Ca 0.48 -0.85 0.03 0.00 -0.51 0.00 0.00 60.65 59.80 1gya s ILE 17 Cb -0.25 -0.89 0.05 0.00 0.61 0.00 0.00 42.46 41.98 1gya s ILE 17 CO 0.31 0.04 0.38 0.59 -2.81 0.00 0.00 174.94 173.45 1gya n ASN 18 N 2.13 0.80 -3.02 4.50 4.13 -1.26 -0.35 115.26 122.20 1gya n ASN 18 Ca -0.17 -1.61 -0.14 0.00 1.68 0.00 0.00 54.58 54.34 1gya n ASN 18 Cb 0.55 -0.22 -0.03 0.00 -1.54 0.00 0.00 39.78 38.54 1gya n ASN 18 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1gya n LEU 19 N 0.00 -2.15 -4.46 3.41 7.99 0.49 -4.84 117.00 117.45 1gya n LEU 19 Ca 0.07 -3.57 -0.43 0.00 -0.01 0.00 0.00 56.01 52.07 1gya n LEU 19 Cb 0.26 0.68 -0.04 0.00 -0.11 0.00 0.00 43.42 44.21 1gya n LEU 19 CO 0.17 1.92 0.66 -1.81 -1.51 0.00 0.00 177.39 176.82 1gya s ASP 20 N 0.32 6.21 0.00 -1.43 1.11 -1.26 -1.89 116.67 119.73 1gya s ASP 20 Ca 0.31 -0.90 0.00 0.00 0.18 0.00 0.00 52.55 52.14 1gya s ASP 20 Cb 0.04 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.63 1gya s ASP 20 CO -0.12 -1.29 0.06 0.00 1.18 0.00 0.00 175.17 175.00 1gya n ILE 21 N 5.90 0.00 -2.95 0.77 0.13 -1.26 -4.99 119.36 116.95 1gya n ILE 21 Ca -0.04 0.13 -0.25 0.00 -1.10 0.00 0.00 62.75 61.49 1gya n ILE 21 Cb 0.45 -0.27 -0.00 0.00 -0.84 0.00 0.00 39.64 38.99 1gya n ILE 21 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 1gya s PRO 22 N -0.13 3.40 -0.19 9.51 0.04 -1.26 -5.00 135.00 141.37 1gya s PRO 22 Ca 0.00 -0.12 0.06 0.00 0.04 0.00 0.00 61.00 60.98 1gya s PRO 22 Cb 0.00 -2.50 0.46 0.00 0.04 0.00 0.00 34.50 32.50 1gya s PRO 22 CO 0.00 -0.12 1.37 0.43 0.04 0.00 0.00 177.00 178.72 1gya n SER 23 N -2.08 3.73 -4.82 6.66 7.64 -1.26 -4.97 113.62 118.52 1gya n SER 23 Ca -0.01 -2.72 -0.22 0.00 1.01 0.00 0.00 58.87 56.93 1gya n SER 23 Cb 0.56 -0.65 0.08 0.00 -1.01 0.00 0.00 64.21 63.19 1gya n SER 23 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1gya s PHE 24 N -2.04 1.82 -0.40 1.43 5.36 -1.26 -5.08 117.98 117.81 1gya s PHE 24 Ca 0.34 -0.33 0.03 0.00 -0.96 0.00 0.00 56.93 56.01 1gya s PHE 24 Cb 0.27 -2.76 0.16 0.00 -0.34 0.00 0.00 43.02 40.35 1gya s PHE 24 CO 0.09 -1.39 0.33 -1.14 -1.46 0.00 0.00 175.22 171.64 1gya s GLN 25 N -4.94 0.84 0.83 10.12 2.00 -1.26 -5.13 119.66 122.12 1gya s GLN 25 Ca 0.63 -1.94 -0.14 0.00 -2.00 0.00 0.00 55.36 51.92 1gya s GLN 25 Cb -0.06 -1.35 0.03 0.00 0.80 0.00 0.00 33.01 32.42 1gya s GLN 25 CO 0.42 -1.35 0.69 0.00 -0.50 0.00 0.00 175.29 174.54 1gya n MET 26 N 3.07 0.05 0.00 1.67 0.00 -1.26 -5.00 117.12 115.65 1gya n MET 26 Ca 0.26 0.07 0.00 0.00 0.00 0.00 0.00 57.70 58.04 1gya n MET 26 Cb 0.46 -2.02 0.00 0.00 0.00 0.00 0.00 33.22 31.66 1gya n MET 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1gya n SER 27 N -1.57 0.00 0.11 3.17 2.88 -1.26 -5.04 113.62 111.91 1gya n SER 27 Ca 0.10 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.72 1gya n SER 27 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1gya n SER 27 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1gya h ASP 28 N 0.00 0.00 1.27 -3.46 3.04 -2.06 -3.36 116.42 111.85 1gya h ASP 28 Ca 0.00 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.64 1gya h ASP 28 Cb 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.27 1gya h ASP 28 CO 0.00 0.15 -0.74 0.44 -2.04 0.00 0.00 179.24 177.05 1gya h ASP 29 N 0.00 0.00 -3.30 4.15 5.19 -2.00 -3.45 116.42 117.01 1gya h ASP 29 Ca -0.04 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.81 1gya h ASP 29 Cb 1.15 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.61 1gya h ASP 29 CO 0.01 0.69 -0.00 -0.63 -3.12 0.00 0.00 179.24 176.19 1gya s ILE 30 N -2.86 4.81 0.00 0.35 -1.09 -1.26 -2.54 121.20 118.61 1gya s ILE 30 Ca 0.02 1.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1gya s ILE 30 Cb 0.08 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1gya s ILE 30 CO 0.78 0.47 0.00 -0.67 -1.23 0.00 0.00 174.94 174.29 1gya n ASP 31 N 2.31 1.24 -4.64 3.58 2.03 -1.16 -4.83 116.55 115.08 1gya n ASP 31 Ca -0.08 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.89 1gya n ASP 31 Cb 0.51 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.81 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 -3.46 5.09 0.26 1.67 1.01 0.58 -4.75 116.67 117.06 1gya s ASP 32 Ca 0.00 0.07 0.12 0.00 0.71 0.00 0.00 52.55 53.45 1gya s ASP 32 Cb 0.00 -1.48 -0.05 0.00 1.01 0.00 0.00 42.92 42.40 1gya s ASP 32 CO 0.00 0.34 -0.21 -0.63 0.21 0.00 0.00 175.17 174.88 1gya s ILE 33 N -0.65 2.43 -0.10 0.77 1.09 -1.00 0.17 121.20 123.91 1gya s ILE 33 Ca 0.10 -2.31 -0.22 0.00 -1.10 0.00 0.00 60.65 57.12 1gya s ILE 33 Cb -0.12 -2.25 0.05 0.00 -1.06 0.00 0.00 42.46 39.08 1gya s ILE 33 CO 0.02 -0.34 0.52 -0.75 -0.10 0.00 0.00 174.94 174.29 1gya s LYS 34 N -3.31 0.78 -0.11 2.79 2.36 0.12 -1.61 119.74 120.76 1gya s LYS 34 Ca 0.28 0.33 -0.05 0.00 -2.55 0.00 0.00 55.97 53.97 1gya s LYS 34 Cb -0.06 0.37 0.05 0.00 -1.05 0.00 0.00 37.83 37.14 1gya s LYS 34 CO 0.14 -0.19 0.25 -1.58 1.55 0.00 0.00 175.35 175.51 1gya s TRP 35 N -0.65 -0.35 0.25 4.03 0.52 0.71 -1.98 118.94 121.46 1gya s TRP 35 Ca -0.07 0.84 0.04 0.00 0.02 0.00 0.00 56.10 56.93 1gya s TRP 35 Cb -0.03 0.00 -0.05 0.00 -1.15 0.00 0.00 33.47 32.24 1gya s TRP 35 CO 0.05 -0.28 -0.01 -2.00 0.02 0.00 0.00 176.95 174.73 1gya s GLU 36 N 1.70 1.40 -0.67 4.98 2.12 -0.94 -2.10 118.70 125.18 1gya s GLU 36 Ca -0.05 -1.71 -0.22 0.00 0.36 0.00 0.00 54.97 53.34 1gya s GLU 36 Cb -0.11 -0.74 0.07 0.00 0.26 0.00 0.00 34.13 33.62 1gya s GLU 36 CO -0.08 -0.07 0.96 0.15 -0.54 0.00 0.00 175.26 175.67 1gya s LYS 37 N -3.84 3.12 0.21 4.30 1.02 -0.92 -2.22 119.74 121.41 1gya s LYS 37 Ca 0.29 -0.88 -0.08 0.00 0.02 0.00 0.00 55.97 55.32 1gya s LYS 37 Cb 0.05 -4.25 0.33 0.00 -0.52 0.00 0.00 37.83 33.44 1gya s LYS 37 CO 0.10 -1.81 1.22 0.25 -0.92 0.00 0.00 175.35 174.18 1gya n THR 38 N 5.90 -0.34 0.00 2.17 -2.24 -0.76 -1.42 114.28 117.58 1gya n THR 38 Ca -0.03 1.80 0.00 0.00 -2.27 0.00 0.00 64.05 63.54 1gya n THR 38 Cb 0.45 -2.46 0.00 0.00 -2.10 0.00 0.00 70.33 66.22 1gya n THR 38 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1gya n SER 39 N -5.25 0.00 -1.06 3.42 2.88 -1.26 -3.73 113.62 108.61 1gya n SER 39 Ca 0.12 0.74 0.03 0.00 -1.33 0.00 0.00 58.87 58.43 1gya n SER 39 Cb 0.38 -0.31 0.18 0.00 -0.75 0.00 0.00 64.21 63.71 1gya n SER 39 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1gya n ASP 40 N -1.42 2.95 -3.54 -3.46 5.75 -1.11 -4.91 116.55 110.81 1gya n ASP 40 Ca 0.00 -2.37 -0.23 0.00 -0.01 0.00 0.00 54.79 52.18 1gya n ASP 40 Cb 0.00 -0.54 0.03 0.00 -1.03 0.00 0.00 41.12 39.58 1gya n ASP 40 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1gya n LYS 41 N 0.30 -1.37 -3.90 0.11 2.85 -0.51 -4.92 118.16 110.72 1gya n LYS 41 Ca 0.12 0.73 -0.31 0.00 -1.05 0.00 0.00 58.31 57.81 1gya n LYS 41 Cb 0.63 -4.31 -0.13 0.00 -0.65 0.00 0.00 35.03 30.57 1gya n LYS 41 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1gya s LYS 42 N -5.12 2.16 -0.77 -1.58 2.20 -1.20 -4.89 119.74 110.53 1gya s LYS 42 Ca 0.32 -2.70 -0.32 0.00 -0.36 0.00 0.00 55.97 52.91 1gya s LYS 42 Cb -0.10 -3.41 -0.17 0.00 -1.51 0.00 0.00 37.83 32.63 1gya s LYS 42 CO 0.83 -1.14 2.52 0.36 -0.36 0.00 0.00 175.35 177.57 1gya n LYS 43 N 3.03 0.33 -0.03 4.03 2.85 -1.26 -2.18 118.16 124.93 1gya n LYS 43 Ca 0.07 0.03 -0.20 0.00 -1.05 0.00 0.00 58.31 57.16 1gya n LYS 43 Cb 0.33 -2.00 -0.13 0.00 -0.65 0.00 0.00 35.03 32.58 1gya n LYS 43 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1gya n ILE 44 N 7.46 1.69 -3.76 0.58 -5.35 -0.95 -4.97 119.36 114.06 1gya n ILE 44 Ca 0.56 -0.64 -0.13 0.00 -0.27 0.00 0.00 62.75 62.27 1gya n ILE 44 Cb 0.15 -1.60 -0.13 0.00 -1.74 0.00 0.00 39.64 36.31 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 -2.55 -0.39 -0.01 -1.28 0.00 -0.89 -4.76 121.76 111.88 1gya s ALA 45 Ca -0.25 0.72 -0.27 0.00 0.00 0.00 0.00 51.96 52.16 1gya s ALA 45 Cb 0.07 -0.46 0.06 0.00 0.00 0.00 0.00 23.12 22.80 1gya s ALA 45 CO 0.73 -0.15 0.61 -0.65 0.00 0.00 0.00 175.76 176.29 1gya s GLN 46 N 0.89 1.04 -0.23 0.00 -0.21 -1.08 -0.20 119.66 119.86 1gya s GLN 46 Ca -0.07 0.05 -0.01 0.00 0.02 0.00 0.00 55.36 55.35 1gya s GLN 46 Cb -0.08 0.48 0.07 0.00 1.00 0.00 0.00 33.01 34.48 1gya s GLN 46 CO -0.05 -0.35 0.01 -0.06 -2.12 0.00 0.00 175.29 172.72 1gya s PHE 47 N -1.70 1.73 -0.30 0.91 0.40 -0.63 -2.27 117.98 116.12 1gya s PHE 47 Ca -0.09 -1.40 -0.00 0.00 -0.60 0.00 0.00 56.93 54.84 1gya s PHE 47 Cb -0.01 -1.40 0.09 0.00 0.51 0.00 0.00 43.02 42.22 1gya s PHE 47 CO 0.05 -0.73 0.07 -0.98 0.70 0.00 0.00 175.22 174.34 1gya s ARG 48 N 1.62 0.89 0.52 0.44 1.70 -1.26 -2.38 118.95 120.47 1gya s ARG 48 Ca -0.01 -1.13 0.00 0.00 -0.47 0.00 0.00 55.73 54.13 1gya s ARG 48 Cb -0.18 -2.22 0.00 0.00 -0.57 0.00 0.00 34.95 31.98 1gya s ARG 48 CO -0.10 -0.92 0.00 1.63 -1.08 0.00 0.00 175.30 174.83 1gya n LYS 49 N 4.77 -3.31 -0.78 3.89 4.01 -1.26 -4.45 118.16 121.03 1gya n LYS 49 Ca -0.03 2.61 -0.12 0.00 -0.51 0.00 0.00 58.31 60.27 1gya n LYS 49 Cb 0.43 -3.40 0.03 0.00 -0.51 0.00 0.00 35.03 31.57 1gya n LYS 49 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1gya n GLU 50 N -2.96 1.56 0.00 1.97 -0.58 -1.26 -3.69 120.64 115.68 1gya n GLU 50 Ca -0.03 -1.09 0.02 0.00 -0.42 0.00 0.00 57.16 55.64 1gya n GLU 50 Cb 0.47 -1.43 -0.01 0.00 -0.57 0.00 0.00 31.44 29.90 1gya n GLU 50 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1gya n LYS 51 N 0.70 3.90 0.00 3.49 4.81 -1.26 -5.02 118.16 124.78 1gya n LYS 51 Ca 0.21 -0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1gya n LYS 51 Cb 0.55 -0.80 0.00 0.00 0.02 0.00 0.00 35.03 34.80 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 -0.69 0.00 -3.75 1.64 2.13 -1.24 -5.18 120.64 113.55 1gya n GLU 52 Ca 0.01 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.60 1gya n GLU 52 Cb 0.07 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.76 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 2.12 -0.30 6.31 -4.23 -1.26 -4.20 115.64 114.09 1gya s THR 53 Ca 0.00 -1.44 -0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1gya s THR 53 Cb 0.00 -2.56 0.10 0.00 1.34 0.00 0.00 72.50 71.38 1gya s THR 53 CO 0.00 0.00 0.12 0.12 -0.54 0.00 0.00 174.62 174.32 1gya s PHE 54 N -2.64 1.02 -0.46 3.99 5.36 -0.96 -4.98 117.98 119.31 1gya s PHE 54 Ca 0.42 -1.32 0.07 0.00 -0.96 0.00 0.00 56.93 55.13 1gya s PHE 54 Cb -0.02 -1.31 0.25 0.00 -0.34 0.00 0.00 43.02 41.60 1gya s PHE 54 CO 0.25 -0.85 0.83 0.36 -1.46 0.00 0.00 175.22 174.35 1gya n LYS 55 N 5.02 0.79 0.00 10.12 2.85 -1.26 -2.64 118.16 133.04 1gya n LYS 55 Ca -0.04 -2.10 0.11 0.00 -1.05 0.00 0.00 58.31 55.24 1gya n LYS 55 Cb 0.42 -1.38 0.59 0.00 -0.65 0.00 0.00 35.03 34.01 1gya n LYS 55 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1gya n GLU 56 N 1.45 0.45 -3.62 -1.58 4.71 -1.26 -4.73 120.64 116.06 1gya n GLU 56 Ca 0.12 0.05 -0.15 0.00 -0.01 0.00 0.00 57.16 57.16 1gya n GLU 56 Cb 0.62 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.47 1gya n GLU 56 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1gya s LYS 57 N -2.36 0.85 0.47 3.49 -2.85 -1.26 -5.02 119.74 113.06 1gya s LYS 57 Ca 0.25 0.40 0.25 0.00 -1.00 0.00 0.00 55.97 55.87 1gya s LYS 57 Cb 0.15 0.40 1.16 0.00 -2.06 0.00 0.00 37.83 37.48 1gya s LYS 57 CO 0.30 -0.21 1.94 -0.44 0.10 0.00 0.00 175.35 177.05 1gya h ASP 58 N 4.02 0.00 -0.28 0.03 3.32 -1.96 -2.87 116.42 118.67 1gya h ASP 58 Ca -0.28 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.85 1gya h ASP 58 Cb 1.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1gya h ASP 58 CO 0.29 0.19 0.57 0.00 -1.72 0.00 0.00 179.24 178.57 1gya h THR 59 N 0.00 0.14 -1.70 0.35 1.03 -1.86 -2.91 112.91 107.96 1gya h THR 59 Ca -0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 66.41 65.98 1gya h THR 59 Cb 0.55 0.49 -0.29 0.00 -1.07 0.00 0.00 68.15 67.83 1gya h THR 59 CO 0.02 0.00 -0.80 -1.22 -0.01 0.00 0.00 175.52 173.51 1gya n TYR 60 N -3.19 -1.99 -4.05 0.00 4.01 -1.08 -3.26 117.16 107.60 1gya n TYR 60 Ca 0.05 -2.59 -0.28 0.00 -0.16 0.00 0.00 57.90 54.91 1gya n TYR 60 Cb 0.69 0.69 -0.06 0.00 -0.31 0.00 0.00 39.34 40.35 1gya n TYR 60 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1gya s LYS 61 N 0.22 2.97 0.53 -0.72 2.20 -0.64 -4.58 119.74 119.72 1gya s LYS 61 Ca 0.32 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1gya s LYS 61 Cb 0.06 -2.73 0.10 0.00 -1.51 0.00 0.00 37.83 33.75 1gya s LYS 61 CO -0.15 0.53 0.72 1.28 -0.36 0.00 0.00 175.35 177.37 1gya n LEU 62 N 0.00 0.00 -4.08 5.43 4.77 -1.26 -0.59 117.00 121.27 1gya n LEU 62 Ca -0.08 -1.56 -0.10 0.00 -0.03 0.00 0.00 56.01 54.24 1gya n LEU 62 Cb 0.53 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1gya n LEU 62 CO 0.45 -0.84 -0.12 -0.36 -1.33 0.00 0.00 177.39 175.18 1gya s PHE 63 N -2.15 0.72 0.32 -1.77 0.40 0.16 -4.78 117.98 110.87 1gya s PHE 63 Ca 0.48 -1.05 0.09 0.00 -0.60 0.00 0.00 56.93 55.85 1gya s PHE 63 Cb -0.03 -0.27 0.54 0.00 0.51 0.00 0.00 43.02 43.78 1gya s PHE 63 CO 0.32 -0.69 1.74 0.87 0.70 0.00 0.00 175.22 178.16 1gya h LYS 64 N 2.60 0.16 -0.41 0.44 1.57 -2.01 -2.81 116.57 116.10 1gya h LYS 64 Ca -0.33 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1gya h LYS 64 Cb 1.23 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1gya h LYS 64 CO 0.50 0.53 0.00 0.27 -0.57 0.00 0.00 179.45 180.19 1gya n ASN 65 N -4.05 2.08 0.00 0.86 0.23 -1.26 -4.88 115.26 108.24 1gya n ASN 65 Ca -0.02 -2.06 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 1gya n ASN 65 Cb 0.45 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 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 0.97 0.76 3.91 4.83 0.00 -1.06 -4.90 105.19 109.70 1gya n GLY 66 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.31 4.96 0.12 2.61 2.01 -1.26 -4.53 115.64 117.25 1gya s THR 67 Ca 0.00 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.16 1gya s THR 67 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1gya s THR 67 CO 0.00 -0.59 -0.18 -0.22 -0.69 0.00 0.00 174.62 172.94 1gya s LEU 68 N -4.18 2.36 0.12 4.42 2.96 -0.79 0.35 118.68 123.92 1gya s LEU 68 Ca 0.45 -0.75 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1gya s LEU 68 Cb -0.10 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 1gya s LEU 68 CO 0.37 -0.02 -0.10 -1.59 -1.32 0.00 0.00 176.35 173.68 1gya s LYS 69 N -2.29 0.97 -0.15 1.98 -2.85 0.25 0.19 119.74 117.83 1gya s LYS 69 Ca 0.09 -1.31 -0.02 0.00 -1.00 0.00 0.00 55.97 53.72 1gya s LYS 69 Cb -0.08 -0.60 0.05 0.00 -2.06 0.00 0.00 37.83 35.14 1gya s LYS 69 CO 0.05 0.08 0.02 0.42 0.10 0.00 0.00 175.35 176.02 1gya s ILE 70 N -2.87 0.47 0.10 3.79 1.01 0.53 -1.62 121.20 122.61 1gya s ILE 70 Ca 0.11 -0.31 -0.24 0.00 0.00 0.00 0.00 60.65 60.21 1gya s ILE 70 Cb -0.00 -0.85 -0.07 0.00 0.01 0.00 0.00 42.46 41.55 1gya s ILE 70 CO 0.00 -0.03 0.73 -0.75 0.00 0.00 0.00 174.94 174.90 1gya s LYS 71 N 1.90 4.48 -0.22 2.79 2.20 -1.20 -1.83 119.74 127.86 1gya s LYS 71 Ca 0.01 1.04 -0.10 0.00 -0.36 0.00 0.00 55.97 56.57 1gya s LYS 71 Cb -0.15 -3.30 0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1gya s LYS 71 CO -0.07 0.46 0.19 1.58 -0.36 0.00 0.00 175.35 177.15 1gya n HIS 72 N 2.14 -4.42 -3.64 4.03 -0.00 -1.26 -4.74 115.22 107.32 1gya n HIS 72 Ca -0.05 2.43 -0.28 0.00 0.46 0.00 0.00 57.72 60.28 1gya n HIS 72 Cb 0.50 -3.97 -0.12 0.00 -0.12 0.00 0.00 29.99 26.28 1gya n HIS 72 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1gya s LEU 73 N -0.92 2.77 0.00 0.27 2.01 -1.20 -4.79 118.68 116.83 1gya s LEU 73 Ca -0.22 -3.11 -0.03 0.00 0.01 0.00 0.00 54.13 50.79 1gya s LEU 73 Cb 0.01 -0.97 0.09 0.00 0.01 0.00 0.00 46.19 45.34 1gya s LEU 73 CO 0.80 -0.18 0.61 2.29 1.01 0.00 0.00 176.35 180.88 1gya n LYS 74 N 2.88 -0.04 0.28 1.70 2.85 -1.26 -2.10 118.16 122.46 1gya n LYS 74 Ca 0.19 -1.43 0.14 0.00 -1.05 0.00 0.00 58.31 56.16 1gya n LYS 74 Cb 0.39 -0.48 0.84 0.00 -0.65 0.00 0.00 35.03 35.13 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 -0.75 0.60 0.07 0.58 2.02 -1.95 0.20 112.91 113.68 1gya h THR 75 Ca -0.20 -0.15 -0.26 0.00 0.77 0.00 0.00 66.41 66.56 1gya h THR 75 Cb 0.68 1.10 0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1gya h THR 75 CO 0.19 0.04 -1.12 -0.78 0.37 0.00 0.00 175.52 174.22 1gya h ASP 76 N 0.00 0.63 0.09 4.18 1.82 -2.00 -3.03 116.42 118.11 1gya h ASP 76 Ca -0.00 -0.57 0.00 0.00 -0.39 0.00 0.00 57.03 56.07 1gya h ASP 76 Cb 0.09 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.91 1gya h ASP 76 CO 0.00 1.39 0.00 0.47 -1.61 0.00 0.00 179.24 179.50 1gya n ASP 77 N -3.71 0.00 -4.71 2.28 8.00 0.50 -4.72 116.55 114.19 1gya n ASP 77 Ca -0.10 -0.55 -0.41 0.00 0.71 0.00 0.00 54.79 54.44 1gya n ASP 77 Cb 0.93 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.93 1gya n ASP 77 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1gya s GLN 78 N -2.13 4.51 0.24 -1.24 2.00 -0.06 -4.78 119.66 118.19 1gya s GLN 78 Ca 0.31 1.22 -0.07 0.00 -2.00 0.00 0.00 55.36 54.82 1gya s GLN 78 Cb 0.15 -3.46 -0.02 0.00 0.80 0.00 0.00 33.01 30.49 1gya s GLN 78 CO 0.28 -0.02 0.35 -0.51 -0.50 0.00 0.00 175.29 174.88 1gya s ASP 79 N 0.94 0.10 0.04 6.67 1.11 -1.26 -5.00 116.67 119.28 1gya s ASP 79 Ca 0.47 -1.16 -0.18 0.00 0.18 0.00 0.00 52.55 51.85 1gya s ASP 79 Cb -0.20 0.52 -0.06 0.00 1.07 0.00 0.00 42.92 44.25 1gya s ASP 79 CO 0.24 -1.04 0.53 -0.63 1.18 0.00 0.00 175.17 175.45 1gya s ILE 80 N -3.99 4.83 0.14 0.77 1.01 -1.26 -0.70 121.20 122.01 1gya s ILE 80 Ca 0.30 1.13 0.03 0.00 0.00 0.00 0.00 60.65 62.10 1gya s ILE 80 Cb 0.02 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1gya s ILE 80 CO 0.11 0.54 -0.05 -0.31 0.00 0.00 0.00 174.94 175.23 1gya s TYR 81 N -0.95 1.13 -0.09 3.97 1.51 -0.87 -1.84 117.35 120.21 1gya s TYR 81 Ca 0.28 -0.90 -0.07 0.00 -1.01 0.00 0.00 57.07 55.37 1gya s TYR 81 Cb -0.19 -0.62 0.03 0.00 -0.11 0.00 0.00 41.96 41.07 1gya s TYR 81 CO 0.17 -0.09 0.24 0.21 -1.11 0.00 0.00 175.55 174.97 1gya s LYS 82 N -3.83 0.25 -0.25 -0.62 2.20 -0.94 0.61 119.74 117.16 1gya s LYS 82 Ca 0.17 0.40 -0.04 0.00 -0.36 0.00 0.00 55.97 56.15 1gya s LYS 82 Cb 0.05 0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.41 1gya s LYS 82 CO -0.00 -0.08 -0.02 0.54 -0.36 0.00 0.00 175.35 175.42 1gya s VAL 83 N 0.56 3.31 -0.16 4.02 0.11 -0.58 -2.22 120.40 125.44 1gya s VAL 83 Ca -0.04 -0.72 0.01 0.00 -2.93 0.00 0.00 61.98 58.30 1gya s VAL 83 Cb -0.05 -2.61 0.02 0.00 -1.53 0.00 0.00 36.38 32.21 1gya s VAL 83 CO -0.03 0.27 -0.17 -0.94 -3.33 0.00 0.00 175.10 170.90 1gya s SER 84 N 1.43 2.88 -0.16 3.54 1.04 -0.84 -1.64 113.70 119.94 1gya s SER 84 Ca 0.03 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.89 1gya s SER 84 Cb -0.16 -1.32 0.05 0.00 0.10 0.00 0.00 66.02 64.69 1gya s SER 84 CO -0.03 -0.01 -0.02 -0.63 0.98 0.00 0.00 173.24 173.53 1gya s ILE 85 N 1.28 0.90 0.21 -1.02 1.09 -1.07 0.13 121.20 122.72 1gya s ILE 85 Ca 0.02 -0.55 0.08 0.00 -1.10 0.00 0.00 60.65 59.11 1gya s ILE 85 Cb -0.13 -1.16 -0.04 0.00 -1.06 0.00 0.00 42.46 40.07 1gya s ILE 85 CO -0.10 0.05 0.02 -0.31 -0.10 0.00 0.00 174.94 174.51 1gya s TYR 86 N 1.72 2.84 0.54 3.97 2.02 0.13 -3.63 117.35 124.92 1gya s TYR 86 Ca 0.01 -0.16 -0.08 0.00 -0.37 0.00 0.00 57.07 56.47 1gya s TYR 86 Cb -0.15 -1.33 0.12 0.00 -0.40 0.00 0.00 41.96 40.20 1gya s TYR 86 CO -0.07 0.55 0.73 -0.40 -1.57 0.00 0.00 175.55 174.79 1gya n ASP 87 N -0.45 0.13 -0.00 2.29 5.68 -0.98 -0.30 116.55 122.91 1gya n ASP 87 Ca -0.09 -1.31 0.12 0.00 -0.50 0.00 0.00 54.79 53.02 1gya n ASP 87 Cb 0.56 -0.55 0.56 0.00 -1.14 0.00 0.00 41.12 40.55 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 -1.34 0.90 -0.75 2.12 1.35 -1.81 -2.56 112.91 110.81 1gya h THR 88 Ca -0.24 -0.09 -0.40 0.00 -0.55 0.00 0.00 66.41 65.13 1gya h THR 88 Cb 0.67 0.61 -0.23 0.00 -1.73 0.00 0.00 68.15 67.47 1gya h THR 88 CO 0.17 0.05 0.51 0.29 -0.25 0.00 0.00 175.52 176.29 1gya n LYS 89 N -4.46 1.96 -1.54 4.72 4.76 -1.26 -4.85 118.16 117.48 1gya n LYS 89 Ca 0.07 -2.27 -0.19 0.00 -2.87 0.00 0.00 58.31 53.06 1gya n LYS 89 Cb 0.35 -1.89 -0.08 0.00 -1.84 0.00 0.00 35.03 31.57 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 -0.71 1.81 3.79 0.72 0.00 -0.96 -4.95 105.19 104.89 1gya n GLY 90 Ca 0.45 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.58 4.19 -0.89 1.61 3.01 -1.26 -4.93 119.74 117.89 1gya s LYS 91 Ca 0.00 0.61 -0.24 0.00 -1.01 0.00 0.00 55.97 55.32 1gya s LYS 91 Cb 0.00 -3.30 -0.00 0.00 -1.01 0.00 0.00 37.83 33.52 1gya s LYS 91 CO 0.00 0.49 1.70 0.54 0.51 0.00 0.00 175.35 178.59 1gya s ASN 92 N -0.55 5.73 0.31 2.83 2.20 -1.26 -2.32 114.94 121.88 1gya s ASN 92 Ca 0.28 -0.80 0.26 0.00 -0.94 0.00 0.00 52.86 51.65 1gya s ASN 92 Cb -0.18 -2.56 0.78 0.00 -2.00 0.00 0.00 41.25 37.29 1gya s ASN 92 CO 0.16 -2.18 1.75 -0.37 -2.94 0.00 0.00 177.10 173.51 1gya h VAL 93 N 6.93 0.00 -1.02 3.54 -1.51 -1.92 -3.46 116.25 118.81 1gya h VAL 93 Ca 0.05 -0.57 0.25 0.00 -1.23 0.00 0.00 66.70 65.20 1gya h VAL 93 Cb 1.03 1.52 -0.28 0.00 -2.13 0.00 0.00 31.29 31.43 1gya h VAL 93 CO 1.29 0.00 0.98 -0.22 -1.23 0.00 0.00 177.57 178.39 1gya s LEU 94 N -5.11 -0.01 0.27 4.19 0.20 -1.24 -5.08 118.68 111.90 1gya s LEU 94 Ca 0.08 0.01 -0.18 0.00 0.69 0.00 0.00 54.13 54.73 1gya s LEU 94 Cb 0.10 1.03 0.01 0.00 -0.43 0.00 0.00 46.19 46.89 1gya s LEU 94 CO 0.57 -0.01 0.63 -1.83 -0.29 0.00 0.00 176.35 175.42 1gya s GLU 95 N -0.91 1.70 -0.03 1.98 4.04 -1.26 -2.59 118.70 121.63 1gya s GLU 95 Ca 0.09 -1.10 -0.31 0.00 0.04 0.00 0.00 54.97 53.70 1gya s GLU 95 Cb -0.01 0.56 0.12 0.00 0.02 0.00 0.00 34.13 34.81 1gya s GLU 95 CO -0.09 -0.75 1.26 0.21 -1.84 0.00 0.00 175.26 174.04 1gya s LYS 96 N -3.95 0.42 -0.20 -4.83 2.20 -0.65 -5.01 119.74 107.72 1gya s LYS 96 Ca 0.16 -0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.55 1gya s LYS 96 Cb -0.04 0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.47 1gya s LYS 96 CO 0.08 -0.19 -0.11 0.42 -0.36 0.00 0.00 175.35 175.18 1gya s ILE 97 N -2.47 1.71 0.46 5.43 1.01 -1.17 -1.53 121.20 124.64 1gya s ILE 97 Ca 0.13 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 59.82 1gya s ILE 97 Cb 0.04 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1gya s ILE 97 CO -0.04 0.20 0.27 -0.36 0.00 0.00 0.00 174.94 175.01 1gya s PHE 98 N 1.37 2.27 -0.30 3.97 0.40 0.20 -2.68 117.98 123.22 1gya s PHE 98 Ca -0.01 -0.67 -0.03 0.00 -0.60 0.00 0.00 56.93 55.62 1gya s PHE 98 Cb -0.16 -1.96 0.19 0.00 0.51 0.00 0.00 43.02 41.59 1gya s PHE 98 CO -0.08 -0.07 0.70 0.34 0.70 0.00 0.00 175.22 176.80 1gya s ASP 99 N -4.06 -1.21 -0.07 1.36 2.15 -1.21 -2.04 116.67 111.58 1gya s ASP 99 Ca 0.38 0.67 -0.30 0.00 0.43 0.00 0.00 52.55 53.73 1gya s ASP 99 Cb 0.01 1.98 -0.03 0.00 -0.30 0.00 0.00 42.92 44.58 1gya s ASP 99 CO 0.22 -0.23 1.13 -0.22 -0.17 0.00 0.00 175.17 175.90 1gya s LEU 100 N 2.88 4.27 0.30 -1.34 2.96 0.12 -3.25 118.68 124.63 1gya s LEU 100 Ca 0.16 1.73 0.11 0.00 -0.22 0.00 0.00 54.13 55.90 1gya s LEU 100 Cb -0.13 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1gya s LEU 100 CO -0.20 -0.53 -0.15 -0.54 -1.32 0.00 0.00 176.35 173.61 1gya s LYS 101 N 2.09 1.77 0.21 1.98 1.02 -0.60 -3.99 119.74 122.21 1gya s LYS 101 Ca 0.53 -1.81 0.09 0.00 0.02 0.00 0.00 55.97 54.80 1gya s LYS 101 Cb -0.23 -1.77 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1gya s LYS 101 CO 0.21 0.26 -0.16 0.42 -0.92 0.00 0.00 175.35 175.16 1gya s ILE 102 N -2.53 1.90 0.05 2.17 1.01 -1.26 -0.83 121.20 121.71 1gya s ILE 102 Ca 0.31 -2.18 -0.00 0.00 0.00 0.00 0.00 60.65 58.77 1gya s ILE 102 Cb -0.02 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1gya s ILE 102 CO 0.16 -0.50 -0.04 0.00 0.00 0.00 0.00 174.94 174.56 1gya s GLN 103 N -3.43 0.60 -0.36 2.79 -2.07 -0.71 -4.82 119.66 111.65 1gya s GLN 103 Ca 0.22 -1.12 -0.04 0.00 -1.82 0.00 0.00 55.36 52.60 1gya s GLN 103 Cb -0.03 0.10 0.19 0.00 -1.09 0.00 0.00 33.01 32.19 1gya s GLN 103 CO 0.08 -0.08 0.96 -1.83 -1.32 0.00 0.00 175.29 173.11 1gya s GLU 104 N -3.40 0.38 0.00 9.60 -1.05 -1.26 -4.85 118.70 118.12 1gya s GLU 104 Ca 0.03 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 1gya s GLU 104 Cb 0.04 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 1gya s GLU 104 CO -0.07 -0.51 0.27 -2.13 0.95 0.00 0.00 175.26 173.76