#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 2.22 0.12 1.97 -1.05 -1.26 -5.09 118.70 115.62 1gya s GLU 2 Ca 0.00 0.47 0.09 0.00 -0.15 0.00 0.00 54.97 55.38 1gya s GLU 2 Cb 0.00 -1.95 -0.04 0.00 -0.44 0.00 0.00 34.13 31.70 1gya s GLU 2 CO 0.00 -1.49 -0.21 -1.50 0.95 0.00 0.00 175.26 173.01 1gya s ILE 3 N -3.30 1.85 0.46 1.83 1.10 -1.26 -5.15 121.20 116.74 1gya s ILE 3 Ca 0.60 -1.68 0.03 0.00 -0.51 0.00 0.00 60.65 59.09 1gya s ILE 3 Cb -0.13 -1.72 -0.04 0.00 0.15 0.00 0.00 42.46 40.73 1gya s ILE 3 CO 0.53 -0.10 0.02 0.42 -2.11 0.00 0.00 174.94 173.70 1gya s THR 4 N -1.37 1.36 -0.31 4.00 -4.23 -1.26 -5.07 115.64 108.77 1gya s THR 4 Ca 0.10 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.75 1gya s THR 4 Cb -0.09 -2.47 0.47 0.00 1.34 0.00 0.00 72.50 71.75 1gya s THR 4 CO 0.05 0.00 1.11 -3.20 -0.54 0.00 0.00 174.62 172.04 1gya n ASN 5 N -1.15 3.23 -4.86 3.99 4.05 -1.26 -5.08 115.26 114.18 1gya n ASN 5 Ca -0.13 -3.01 -0.23 0.00 0.45 0.00 0.00 54.58 51.66 1gya n ASN 5 Cb 0.67 -0.44 -0.03 0.00 1.23 0.00 0.00 39.78 41.21 1gya n ASN 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1gya s ALA 6 N -3.58 4.06 -0.27 5.20 0.00 -1.26 -3.98 121.76 121.94 1gya s ALA 6 Ca 0.39 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.56 1gya s ALA 6 Cb 0.39 -0.83 0.07 0.00 0.00 0.00 0.00 23.12 22.75 1gya s ALA 6 CO -0.03 -0.28 -0.03 -1.17 0.00 0.00 0.00 175.76 174.25 1gya s LEU 7 N -4.13 3.18 -0.73 0.00 2.96 -0.99 -5.01 118.68 113.95 1gya s LEU 7 Ca 0.44 -1.46 -0.26 0.00 -0.22 0.00 0.00 54.13 52.63 1gya s LEU 7 Cb -0.02 -1.33 -0.06 0.00 0.50 0.00 0.00 46.19 45.29 1gya s LEU 7 CO 0.26 -0.27 2.08 -1.83 -1.32 0.00 0.00 176.35 175.27 1gya s GLU 8 N 1.25 2.32 0.65 1.98 4.04 -1.26 -3.44 118.70 124.24 1gya s GLU 8 Ca -0.02 0.39 -0.01 0.00 0.04 0.00 0.00 54.97 55.37 1gya s GLU 8 Cb -0.19 -4.74 0.07 0.00 0.02 0.00 0.00 34.13 29.30 1gya s GLU 8 CO -0.08 -3.38 0.91 -0.08 -1.84 0.00 0.00 175.26 170.79 1gya s THR 9 N 11.04 2.39 -0.08 1.83 -1.32 -1.25 -5.04 115.64 123.21 1gya s THR 9 Ca 0.78 -0.55 -0.30 0.00 -1.21 0.00 0.00 61.69 60.41 1gya s THR 9 Cb -0.11 -2.85 0.07 0.00 -1.51 0.00 0.00 72.50 68.11 1gya s THR 9 CO 0.11 0.00 0.71 0.26 -2.21 0.00 0.00 174.62 173.49 1gya s TRP 10 N -3.01 -0.66 -0.30 9.09 0.52 -1.26 -3.59 118.94 119.73 1gya s TRP 10 Ca 0.61 1.19 -0.07 0.00 0.02 0.00 0.00 56.10 57.86 1gya s TRP 10 Cb -0.09 0.40 0.15 0.00 -1.15 0.00 0.00 33.47 32.78 1gya s TRP 10 CO 0.42 -0.56 0.63 0.20 0.02 0.00 0.00 176.95 177.66 1gya s GLY 11 N -0.99 -0.82 0.50 0.98 0.00 0.82 -4.79 107.32 103.01 1gya s GLY 11 Ca -0.09 2.17 -0.23 0.00 0.00 0.00 0.00 44.72 46.57 1gya s GLY 11 CO 0.08 3.18 1.36 0.00 0.00 0.00 0.00 173.10 177.72 1gya s ALA 12 N 2.89 3.00 0.26 3.20 0.00 -1.26 -3.32 121.76 126.52 1gya s ALA 12 Ca 0.03 1.33 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 1gya s ALA 12 Cb -0.13 -3.55 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 1gya s ALA 12 CO -0.20 -1.20 1.55 1.28 0.00 0.00 0.00 175.76 177.19 1gya n LEU 13 N -0.62 3.85 -0.24 0.00 4.32 -1.25 -2.14 117.00 120.92 1gya n LEU 13 Ca 0.08 1.13 -0.01 0.00 -0.02 0.00 0.00 56.01 57.18 1gya n LEU 13 Cb 0.44 -1.53 0.00 0.00 -1.62 0.00 0.00 43.42 40.71 1gya n LEU 13 CO 0.54 -0.07 -0.01 0.61 -1.22 0.00 0.00 177.39 177.25 1gya n GLY 14 N 2.46 0.40 3.56 -0.72 0.00 -1.04 -4.86 105.19 104.99 1gya n GLY 14 Ca 0.11 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.23 1.98 -0.13 1.61 -0.44 -0.91 -4.68 119.66 112.88 1gya s GLN 15 Ca 0.01 -1.55 -0.00 0.00 -2.50 0.00 0.00 55.36 51.31 1gya s GLN 15 Cb -0.00 -1.99 -0.02 0.00 -1.64 0.00 0.00 33.01 29.36 1gya s GLN 15 CO 0.01 0.36 -0.12 0.34 0.50 0.00 0.00 175.29 176.38 1gya s ASP 16 N -3.48 4.15 0.35 6.67 -1.08 -1.26 0.91 116.67 122.93 1gya s ASP 16 Ca 0.30 -0.28 0.05 0.00 -0.52 0.00 0.00 52.55 52.10 1gya s ASP 16 Cb -0.06 -1.56 -0.03 0.00 -1.46 0.00 0.00 42.92 39.81 1gya s ASP 16 CO 0.17 0.19 0.20 0.27 0.52 0.00 0.00 175.17 176.52 1gya s ILE 17 N 0.23 0.26 0.51 4.11 -0.00 -0.98 -4.99 121.20 120.33 1gya s ILE 17 Ca -0.08 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 58.60 1gya s ILE 17 Cb -0.15 -2.44 -0.01 0.00 -0.00 0.00 0.00 42.46 39.87 1gya s ILE 17 CO 0.05 0.00 0.09 0.20 -0.00 0.00 0.00 174.94 175.28 1gya s ASN 18 N -3.45 4.23 -0.29 4.36 -0.87 -1.26 -1.29 114.94 116.37 1gya s ASN 18 Ca 0.34 -1.54 -0.02 0.00 -1.57 0.00 0.00 52.86 50.06 1gya s ASN 18 Cb 0.03 0.44 0.10 0.00 -0.02 0.00 0.00 41.25 41.79 1gya s ASN 18 CO 0.21 -0.88 0.10 -0.76 -2.57 0.00 0.00 177.10 173.20 1gya s LEU 19 N -3.96 1.51 -0.43 0.60 2.01 0.49 -4.84 118.68 114.06 1gya s LEU 19 Ca 0.14 -1.42 -0.19 0.00 0.01 0.00 0.00 54.13 52.66 1gya s LEU 19 Cb 0.01 -0.65 0.02 0.00 0.01 0.00 0.00 46.19 45.59 1gya s LEU 19 CO 0.08 -0.41 0.53 -1.81 1.01 0.00 0.00 176.35 175.74 1gya s ASP 20 N 1.82 6.25 0.61 2.29 1.11 -1.26 -1.45 116.67 126.05 1gya s ASP 20 Ca 0.08 -0.51 -0.16 0.00 0.18 0.00 0.00 52.55 52.15 1gya s ASP 20 Cb -0.17 -2.27 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 1gya s ASP 20 CO -0.28 -0.66 1.07 -0.51 1.18 0.00 0.00 175.17 175.98 1gya s ILE 21 N 2.43 3.64 0.81 0.77 1.10 -1.26 -5.06 121.20 123.63 1gya s ILE 21 Ca 0.17 0.77 -0.08 0.00 -0.51 0.00 0.00 60.65 61.00 1gya s ILE 21 Cb -0.16 -3.30 0.12 0.00 0.15 0.00 0.00 42.46 39.27 1gya s ILE 21 CO 0.16 -0.46 0.25 -0.81 -2.11 0.00 0.00 174.94 171.96 1gya n PRO 22 N -2.14 -1.51 -0.61 3.50 -0.04 -1.26 -4.85 135.00 128.08 1gya n PRO 22 Ca 0.09 -0.45 -0.12 0.00 -0.04 0.00 0.00 63.50 62.99 1gya n PRO 22 Cb 0.53 -1.29 0.08 0.00 -0.04 0.00 0.00 33.50 32.78 1gya n PRO 22 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1gya n SER 23 N 0.29 3.57 -4.28 3.54 2.88 -1.26 -4.76 113.62 113.60 1gya n SER 23 Ca 0.04 -2.79 -0.34 0.00 -1.33 0.00 0.00 58.87 54.46 1gya n SER 23 Cb 0.20 -0.69 -0.15 0.00 -0.75 0.00 0.00 64.21 62.82 1gya n SER 23 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1gya s PHE 24 N -1.59 2.86 0.26 0.66 5.36 -1.26 -5.11 117.98 119.15 1gya s PHE 24 Ca 0.27 -1.02 -0.01 0.00 -0.96 0.00 0.00 56.93 55.22 1gya s PHE 24 Cb 0.23 -1.97 -0.03 0.00 -0.34 0.00 0.00 43.02 40.91 1gya s PHE 24 CO 0.05 -0.51 0.26 -0.65 -1.46 0.00 0.00 175.22 172.91 1gya s GLN 25 N 1.06 1.48 1.20 10.12 -1.52 -1.26 -5.01 119.66 125.73 1gya s GLN 25 Ca -0.00 -1.69 -0.17 0.00 -1.95 0.00 0.00 55.36 51.55 1gya s GLN 25 Cb -0.15 0.33 0.28 0.00 -0.22 0.00 0.00 33.01 33.26 1gya s GLN 25 CO -0.02 -0.54 1.05 0.00 -0.25 0.00 0.00 175.29 175.53 1gya s MET 26 N -3.82 -1.19 0.07 2.91 0.23 -1.26 -4.94 119.30 111.30 1gya s MET 26 Ca 0.36 0.26 0.00 0.00 -1.03 0.00 0.00 55.69 55.28 1gya s MET 26 Cb 0.04 -1.57 0.00 0.00 -1.53 0.00 0.00 34.83 31.77 1gya s MET 26 CO 0.17 -3.76 0.00 0.45 -2.03 0.00 0.00 175.02 169.85 1gya n SER 27 N -4.85 -0.62 0.00 -1.18 2.88 -1.26 -5.04 113.62 103.54 1gya n SER 27 Ca 0.09 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1gya n SER 27 Cb 0.58 0.95 0.00 0.00 -0.75 0.00 0.00 64.21 65.00 1gya n SER 27 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1gya n ASP 28 N -2.92 0.00 -0.58 -3.46 5.68 -1.26 -4.82 116.55 109.19 1gya n ASP 28 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 1gya n ASP 28 Cb 0.00 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.15 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 1.72 -4.67 -1.12 8.00 -1.26 -5.01 116.55 114.21 1gya n ASP 29 Ca 0.00 -3.53 -0.42 0.00 0.71 0.00 0.00 54.79 51.55 1gya n ASP 29 Cb 0.00 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 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 -2.79 3.94 0.00 0.53 -1.09 -1.26 -2.98 121.20 117.55 1gya s ILE 30 Ca 0.36 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.99 1gya s ILE 30 Cb 0.35 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1gya s ILE 30 CO -0.06 -0.06 0.00 -0.67 -1.23 0.00 0.00 174.94 172.92 1gya n ASP 31 N 6.15 4.43 -4.88 3.58 2.03 -1.17 -4.83 116.55 121.87 1gya n ASP 31 Ca 0.14 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.09 1gya n ASP 31 Cb 0.44 0.38 -0.06 0.00 -0.72 0.00 0.00 41.12 41.17 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 -3.01 6.31 -0.26 1.67 1.11 0.23 -4.74 116.67 117.97 1gya s ASP 32 Ca 0.00 0.41 -0.01 0.00 0.18 0.00 0.00 52.55 53.13 1gya s ASP 32 Cb 0.00 -2.01 0.13 0.00 1.07 0.00 0.00 42.92 42.11 1gya s ASP 32 CO 0.00 0.36 0.33 -0.63 1.18 0.00 0.00 175.17 176.40 1gya s ILE 33 N -1.12 -0.49 0.15 0.77 1.01 -1.05 -0.29 121.20 120.19 1gya s ILE 33 Ca 0.19 -0.28 0.09 0.00 0.00 0.00 0.00 60.65 60.64 1gya s ILE 33 Cb -0.12 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 1gya s ILE 33 CO 0.09 -0.30 -0.12 -0.75 0.00 0.00 0.00 174.94 173.86 1gya s LYS 34 N 2.44 1.99 -0.08 2.79 2.20 0.71 -0.96 119.74 128.83 1gya s LYS 34 Ca 0.10 -1.20 -0.03 0.00 -0.36 0.00 0.00 55.97 54.48 1gya s LYS 34 Cb -0.14 -2.18 0.04 0.00 -1.51 0.00 0.00 37.83 34.05 1gya s LYS 34 CO -0.25 0.46 0.17 -1.58 -0.36 0.00 0.00 175.35 173.80 1gya s TRP 35 N -1.45 -0.21 0.25 4.03 0.52 0.26 -1.56 118.94 120.78 1gya s TRP 35 Ca 0.22 0.61 0.02 0.00 0.02 0.00 0.00 56.10 56.97 1gya s TRP 35 Cb -0.10 -0.12 -0.05 0.00 -1.15 0.00 0.00 33.47 32.05 1gya s TRP 35 CO 0.13 -0.23 0.06 -2.00 0.02 0.00 0.00 176.95 174.94 1gya s GLU 36 N 1.65 1.40 -0.29 4.98 2.12 -1.00 -2.25 118.70 125.31 1gya s GLU 36 Ca -0.04 -1.75 -0.26 0.00 0.36 0.00 0.00 54.97 53.28 1gya s GLU 36 Cb -0.12 -0.43 0.01 0.00 0.26 0.00 0.00 34.13 33.85 1gya s GLU 36 CO -0.06 -0.22 0.93 0.15 -0.54 0.00 0.00 175.26 175.51 1gya s LYS 37 N -3.96 4.07 0.22 4.30 1.02 -0.94 -2.53 119.74 121.91 1gya s LYS 37 Ca 0.34 0.91 -0.08 0.00 0.02 0.00 0.00 55.97 57.16 1gya s LYS 37 Cb 0.07 -3.71 0.32 0.00 -0.52 0.00 0.00 37.83 33.99 1gya s LYS 37 CO 0.12 -0.73 1.76 1.79 -0.92 0.00 0.00 175.35 177.37 1gya h THR 38 N 5.60 0.80 0.00 2.17 1.35 -1.77 -0.36 112.91 120.70 1gya h THR 38 Ca -0.22 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1gya h THR 38 Cb 1.08 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1gya h THR 38 CO 0.95 0.09 0.00 -1.20 -0.25 0.00 0.00 175.52 175.11 1gya n SER 39 N -4.93 0.00 -0.34 5.36 7.64 -1.26 -3.74 113.62 116.34 1gya n SER 39 Ca 0.10 0.27 0.01 0.00 1.01 0.00 0.00 58.87 60.26 1gya n SER 39 Cb 0.28 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.52 1gya n SER 39 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1gya n ASP 40 N -0.29 0.86 -3.53 6.43 9.92 -1.25 -4.89 116.55 123.80 1gya n ASP 40 Ca 0.00 -2.04 -0.23 0.00 -0.53 0.00 0.00 54.79 51.99 1gya n ASP 40 Cb 0.00 -0.23 0.04 0.00 -0.64 0.00 0.00 41.12 40.29 1gya n ASP 40 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1gya n LYS 41 N -0.13 -1.40 -4.01 -1.24 2.85 -0.15 -4.94 118.16 109.13 1gya n LYS 41 Ca 0.03 0.72 -0.32 0.00 -1.05 0.00 0.00 58.31 57.70 1gya n LYS 41 Cb 0.18 -4.40 -0.15 0.00 -0.65 0.00 0.00 35.03 30.01 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 -5.14 1.70 0.06 -1.58 2.20 -1.17 -4.86 119.74 110.94 1gya s LYS 42 Ca 0.34 -1.75 -0.38 0.00 -0.36 0.00 0.00 55.97 53.82 1gya s LYS 42 Cb -0.11 -3.17 -0.18 0.00 -1.51 0.00 0.00 37.83 32.87 1gya s LYS 42 CO 0.83 -0.86 1.21 1.17 -0.36 0.00 0.00 175.35 177.34 1gya n LYS 43 N 4.32 0.67 0.00 4.03 4.81 -1.26 -2.21 118.16 128.52 1gya n LYS 43 Ca -0.01 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1gya n LYS 43 Cb 0.42 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1gya n LYS 43 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1gya n ILE 44 N 2.02 0.00 -3.76 3.15 -5.35 -1.03 -4.91 119.36 109.48 1gya n ILE 44 Ca 0.19 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.50 1gya n ILE 44 Cb 0.15 -0.57 -0.17 0.00 -1.74 0.00 0.00 39.64 37.32 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 -1.75 0.16 -0.10 -1.28 0.00 -0.95 -4.83 121.76 113.01 1gya s ALA 45 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 1gya s ALA 45 Cb 0.00 -0.36 0.07 0.00 0.00 0.00 0.00 23.12 22.83 1gya s ALA 45 CO 0.00 -0.21 0.69 -1.14 0.00 0.00 0.00 175.76 175.10 1gya s GLN 46 N 1.37 1.01 -0.13 0.00 0.74 -1.07 0.92 119.66 122.50 1gya s GLN 46 Ca -0.05 0.44 0.01 0.00 0.05 0.00 0.00 55.36 55.80 1gya s GLN 46 Cb -0.13 0.48 0.02 0.00 1.10 0.00 0.00 33.01 34.48 1gya s GLN 46 CO -0.03 -0.27 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.23 1gya s PHE 47 N -0.81 2.09 -0.28 1.67 0.40 -0.13 -1.99 117.98 118.91 1gya s PHE 47 Ca -0.08 -1.10 -0.04 0.00 -0.60 0.00 0.00 56.93 55.11 1gya s PHE 47 Cb -0.01 -1.53 0.16 0.00 0.51 0.00 0.00 43.02 42.15 1gya s PHE 47 CO 0.08 -0.59 0.56 -0.98 0.70 0.00 0.00 175.22 174.99 1gya s ARG 48 N 1.30 0.52 0.39 0.44 1.70 -1.26 -2.52 118.95 119.52 1gya s ARG 48 Ca 0.01 1.05 0.00 0.00 -0.47 0.00 0.00 55.73 56.32 1gya s ARG 48 Cb -0.14 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1gya s ARG 48 CO -0.07 -0.49 0.00 1.17 -1.08 0.00 0.00 175.30 174.83 1gya n LYS 49 N 5.42 -3.06 -0.70 3.89 3.00 -1.26 -4.60 118.16 120.86 1gya n LYS 49 Ca -0.05 2.32 -0.14 0.00 -0.00 0.00 0.00 58.31 60.45 1gya n LYS 49 Cb 0.50 -2.75 0.08 0.00 0.00 0.00 0.00 35.03 32.86 1gya n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1gya n GLU 50 N -1.61 1.70 0.00 1.64 2.13 -1.26 -3.75 120.64 119.49 1gya n GLU 50 Ca 0.00 -1.58 0.07 0.00 0.66 0.00 0.00 57.16 56.31 1gya n GLU 50 Cb 0.17 -1.62 -0.05 0.00 0.27 0.00 0.00 31.44 30.21 1gya n GLU 50 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1gya n LYS 51 N -0.20 2.00 -3.65 5.31 3.00 -1.26 -5.01 118.16 118.35 1gya n LYS 51 Ca 0.31 -0.32 -0.02 0.00 -0.00 0.00 0.00 58.31 58.28 1gya n LYS 51 Cb 0.98 -1.21 -0.07 0.00 0.00 0.00 0.00 35.03 34.73 1gya n LYS 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1gya s GLU 52 N -2.16 0.13 0.25 1.64 2.12 -1.25 -5.18 118.70 114.25 1gya s GLU 52 Ca 0.08 0.18 0.11 0.00 0.36 0.00 0.00 54.97 55.70 1gya s GLU 52 Cb 0.12 0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.51 1gya s GLU 52 CO 0.51 -0.02 -0.13 0.99 -0.54 0.00 0.00 175.26 176.07 1gya s THR 53 N 0.50 2.86 -0.38 -1.70 2.01 -1.26 -4.37 115.64 113.29 1gya s THR 53 Ca 0.00 -2.08 0.04 0.00 0.31 0.00 0.00 61.69 59.96 1gya s THR 53 Cb -0.04 -2.48 0.11 0.00 0.01 0.00 0.00 72.50 70.10 1gya s THR 53 CO -0.13 -0.30 0.11 0.12 -0.69 0.00 0.00 174.62 173.73 1gya s PHE 54 N -2.19 3.45 -0.42 4.92 2.19 -0.84 -4.89 117.98 120.20 1gya s PHE 54 Ca 0.28 -2.95 0.06 0.00 0.33 0.00 0.00 56.93 54.65 1gya s PHE 54 Cb -0.06 -2.80 0.33 0.00 -1.31 0.00 0.00 43.02 39.17 1gya s PHE 54 CO 0.16 -0.89 1.22 0.36 1.83 0.00 0.00 175.22 177.89 1gya n LYS 55 N 4.00 0.93 -0.00 10.12 2.85 -1.26 -2.58 118.16 132.22 1gya n LYS 55 Ca 0.04 -1.69 0.16 0.00 -1.05 0.00 0.00 58.31 55.77 1gya n LYS 55 Cb 0.39 -0.56 0.62 0.00 -0.65 0.00 0.00 35.03 34.83 1gya n LYS 55 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1gya h GLU 56 N 2.48 0.14 -3.34 -1.58 4.11 -1.90 -3.43 114.58 111.06 1gya h GLU 56 Ca -0.21 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.14 1gya h GLU 56 Cb 1.18 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.25 1gya h GLU 56 CO 0.03 0.09 -0.17 0.21 0.07 0.00 0.00 179.01 179.24 1gya s LYS 57 N -5.15 0.93 0.00 1.06 2.20 -1.26 -5.02 119.74 112.50 1gya s LYS 57 Ca -0.06 -0.60 0.19 0.00 -0.36 0.00 0.00 55.97 55.14 1gya s LYS 57 Cb 0.19 0.40 1.00 0.00 -1.51 0.00 0.00 37.83 37.92 1gya s LYS 57 CO 0.73 -0.33 1.59 -0.25 -0.36 0.00 0.00 175.35 176.73 1gya n ASP 58 N 0.20 0.00 0.29 1.43 8.00 -1.26 -2.84 116.55 122.37 1gya n ASP 58 Ca -0.17 -0.09 0.14 0.00 0.71 0.00 0.00 54.79 55.37 1gya n ASP 58 Cb 0.61 -0.24 0.86 0.00 -0.02 0.00 0.00 41.12 42.33 1gya n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gya h THR 59 N 0.00 0.60 -1.68 -3.53 1.03 -1.85 -3.09 112.91 104.39 1gya h THR 59 Ca 0.00 -0.08 -0.36 0.00 -0.01 0.00 0.00 66.41 65.95 1gya h THR 59 Cb 0.15 1.05 -0.27 0.00 -1.07 0.00 0.00 68.15 68.01 1gya h THR 59 CO 0.00 0.02 -0.73 -0.31 -0.01 0.00 0.00 175.52 174.49 1gya s TYR 60 N -4.63 -0.30 0.41 0.00 2.02 -1.13 -3.23 117.35 110.49 1gya s TYR 60 Ca -0.05 -1.38 0.08 0.00 -0.37 0.00 0.00 57.07 55.35 1gya s TYR 60 Cb 0.15 -0.29 -0.02 0.00 -0.40 0.00 0.00 41.96 41.40 1gya s TYR 60 CO 0.57 -1.05 0.35 0.21 -1.57 0.00 0.00 175.55 174.06 1gya s LYS 61 N 0.55 2.53 0.31 -0.62 2.20 -0.27 -4.34 119.74 120.10 1gya s LYS 61 Ca 0.30 -1.53 0.09 0.00 -0.36 0.00 0.00 55.97 54.47 1gya s LYS 61 Cb 0.01 -2.36 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 1gya s LYS 61 CO -0.12 -0.16 0.10 -0.51 -0.36 0.00 0.00 175.35 174.31 1gya s LEU 62 N -4.10 3.28 0.35 5.43 1.43 -1.26 -1.79 118.68 122.01 1gya s LEU 62 Ca 0.47 -0.70 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1gya s LEU 62 Cb -0.03 -1.77 -0.07 0.00 0.03 0.00 0.00 46.19 44.35 1gya s LEU 62 CO 0.27 -0.20 0.04 -0.36 0.23 0.00 0.00 176.35 176.34 1gya s PHE 63 N -2.38 2.14 0.45 0.29 0.08 0.74 -4.86 117.98 114.43 1gya s PHE 63 Ca 0.36 -0.86 0.18 0.00 0.12 0.00 0.00 56.93 56.72 1gya s PHE 63 Cb -0.04 -1.43 1.14 0.00 -0.57 0.00 0.00 43.02 42.12 1gya s PHE 63 CO 0.22 0.15 2.03 0.87 -0.10 0.00 0.00 175.22 178.39 1gya h LYS 64 N 2.01 0.00 -0.63 0.44 1.57 -2.02 -2.92 116.57 115.02 1gya h LYS 64 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1gya h LYS 64 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1gya h LYS 64 CO 0.73 0.15 0.00 0.27 -0.57 0.00 0.00 179.45 180.03 1gya n ASN 65 N -4.18 3.62 0.00 0.86 0.23 -1.26 -4.83 115.26 109.70 1gya n ASN 65 Ca -0.02 -2.12 0.00 0.00 -0.53 0.00 0.00 54.58 51.90 1gya n ASN 65 Cb 0.23 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 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 1.35 0.73 3.86 4.83 0.00 -1.10 -4.84 105.19 110.02 1gya n GLY 66 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.36 4.78 0.07 2.61 2.01 -1.26 -4.27 115.64 117.23 1gya s THR 67 Ca 0.00 0.78 0.04 0.00 0.31 0.00 0.00 61.69 62.83 1gya s THR 67 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1gya s THR 67 CO 0.00 -0.08 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.62 1gya s LEU 68 N -2.76 3.41 -0.10 4.42 2.96 -0.53 -0.19 118.68 125.90 1gya s LEU 68 Ca 0.49 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 1gya s LEU 68 Cb -0.11 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1gya s LEU 68 CO 0.19 0.20 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.53 1gya s LYS 69 N -2.13 3.00 -0.28 1.98 2.47 -0.74 0.18 119.74 124.23 1gya s LYS 69 Ca 0.24 -0.70 0.03 0.00 -1.56 0.00 0.00 55.97 53.98 1gya s LYS 69 Cb -0.12 -2.51 0.07 0.00 -1.46 0.00 0.00 37.83 33.82 1gya s LYS 69 CO 0.16 0.38 -0.06 0.42 0.16 0.00 0.00 175.35 176.41 1gya s ILE 70 N -0.09 2.08 0.24 5.43 1.01 -0.41 -1.11 121.20 128.35 1gya s ILE 70 Ca -0.02 -1.75 -0.25 0.00 0.00 0.00 0.00 60.65 58.63 1gya s ILE 70 Cb -0.14 -2.30 -0.09 0.00 0.01 0.00 0.00 42.46 39.94 1gya s ILE 70 CO 0.04 -0.19 0.85 -0.75 0.00 0.00 0.00 174.94 174.88 1gya s LYS 71 N 1.10 4.55 0.02 2.79 2.20 -1.17 -2.33 119.74 126.91 1gya s LYS 71 Ca -0.03 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1gya s LYS 71 Cb -0.20 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1gya s LYS 71 CO -0.06 0.43 0.00 1.58 -0.36 0.00 0.00 175.35 176.93 1gya n HIS 72 N 1.04 -4.61 -3.23 4.03 -0.00 -1.18 -4.72 115.22 106.55 1gya n HIS 72 Ca -0.02 2.74 -0.24 0.00 -0.00 0.00 0.00 57.72 60.20 1gya n HIS 72 Cb 0.49 -3.76 -0.07 0.00 -0.00 0.00 0.00 29.99 26.65 1gya n HIS 72 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1gya n LEU 73 N 1.75 0.86 0.00 0.27 -0.00 0.26 -4.65 117.00 115.49 1gya n LEU 73 Ca 0.00 -4.84 -0.04 0.00 -0.00 0.00 0.00 56.01 51.13 1gya n LEU 73 Cb 0.00 0.40 0.02 0.00 -0.00 0.00 0.00 43.42 43.84 1gya n LEU 73 CO 0.00 2.08 0.09 2.29 -0.00 0.00 0.00 177.39 181.84 1gya n LYS 74 N 1.26 0.61 0.00 1.96 -0.00 -1.26 -2.49 118.16 118.25 1gya n LYS 74 Ca 0.23 -0.48 0.23 0.00 -0.00 0.00 0.00 58.31 58.28 1gya n LYS 74 Cb 0.51 -0.10 0.72 0.00 -0.00 0.00 0.00 35.03 36.16 1gya n LYS 74 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1gya h THR 75 N -0.31 0.40 0.02 0.58 2.02 -1.95 -0.95 112.91 112.73 1gya h THR 75 Ca -0.05 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.86 1gya h THR 75 Cb 0.21 0.58 0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1gya h THR 75 CO 0.06 0.00 -1.06 -0.78 0.37 0.00 0.00 175.52 174.12 1gya h ASP 76 N 0.00 0.89 -0.37 4.18 3.58 -1.97 -3.21 116.42 119.52 1gya h ASP 76 Ca 0.27 -0.76 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1gya h ASP 76 Cb 1.35 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1gya h ASP 76 CO -0.00 1.53 0.00 0.47 -2.88 0.00 0.00 179.24 178.36 1gya n ASP 77 N -3.87 2.82 -4.69 2.28 9.92 -0.45 -4.85 116.55 117.72 1gya n ASP 77 Ca -0.12 -2.22 -0.40 0.00 -0.53 0.00 0.00 54.79 51.52 1gya n ASP 77 Cb 0.89 -0.42 -0.05 0.00 -0.64 0.00 0.00 41.12 40.90 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 -1.68 4.32 0.15 -1.24 0.74 -0.68 -4.78 119.66 116.49 1gya s GLN 78 Ca 0.29 0.79 -0.20 0.00 0.05 0.00 0.00 55.36 56.28 1gya s GLN 78 Cb 0.18 -3.52 0.05 0.00 1.10 0.00 0.00 33.01 30.83 1gya s GLN 78 CO 0.14 -0.12 0.53 0.34 -0.55 0.00 0.00 175.29 175.63 1gya s ASP 79 N 1.01 -0.43 0.28 6.67 2.15 -1.15 -5.03 116.67 120.17 1gya s ASP 79 Ca 0.34 -0.15 -0.16 0.00 0.43 0.00 0.00 52.55 53.00 1gya s ASP 79 Cb -0.17 0.56 -0.09 0.00 -0.30 0.00 0.00 42.92 42.93 1gya s ASP 79 CO 0.14 -0.94 0.72 -0.63 -0.17 0.00 0.00 175.17 174.28 1gya s ILE 80 N -3.78 4.66 0.04 4.11 1.01 -1.26 -0.59 121.20 125.38 1gya s ILE 80 Ca 0.02 1.03 -0.02 0.00 0.00 0.00 0.00 60.65 61.69 1gya s ILE 80 Cb -0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1gya s ILE 80 CO -0.12 -0.05 -0.00 -0.31 0.00 0.00 0.00 174.94 174.47 1gya s TYR 81 N -1.82 0.37 -0.10 3.97 1.51 -0.56 -2.57 117.35 118.15 1gya s TYR 81 Ca 0.50 -0.79 -0.06 0.00 -1.01 0.00 0.00 57.07 55.71 1gya s TYR 81 Cb -0.12 -0.28 0.04 0.00 -0.11 0.00 0.00 41.96 41.49 1gya s TYR 81 CO 0.19 -0.32 0.25 0.21 -1.11 0.00 0.00 175.55 174.76 1gya s LYS 82 N -2.93 0.23 -0.27 -0.62 2.20 -1.05 0.62 119.74 117.92 1gya s LYS 82 Ca -0.02 0.48 -0.09 0.00 -0.36 0.00 0.00 55.97 55.98 1gya s LYS 82 Cb 0.01 -0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.24 1gya s LYS 82 CO -0.06 -0.13 0.12 0.54 -0.36 0.00 0.00 175.35 175.45 1gya s VAL 83 N 0.97 4.64 -0.24 4.02 0.11 -0.81 -2.38 120.40 126.72 1gya s VAL 83 Ca -0.07 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 1gya s VAL 83 Cb -0.08 -3.21 0.06 0.00 -1.53 0.00 0.00 36.38 31.62 1gya s VAL 83 CO -0.06 0.28 -0.07 -0.94 -3.33 0.00 0.00 175.10 170.98 1gya s SER 84 N 1.66 4.01 -0.19 3.54 1.04 -0.60 -1.86 113.70 121.30 1gya s SER 84 Ca 0.06 -1.24 0.01 0.00 0.48 0.00 0.00 55.95 55.26 1gya s SER 84 Cb -0.16 -1.27 0.03 0.00 0.10 0.00 0.00 66.02 64.72 1gya s SER 84 CO 0.06 -0.23 -0.18 -0.63 0.98 0.00 0.00 173.24 173.24 1gya s ILE 85 N 1.32 2.04 0.40 -1.02 1.01 -1.06 -0.21 121.20 123.68 1gya s ILE 85 Ca -0.06 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.65 1gya s ILE 85 Cb -0.19 -1.89 -0.06 0.00 0.01 0.00 0.00 42.46 40.33 1gya s ILE 85 CO -0.06 0.46 0.13 -0.31 0.00 0.00 0.00 174.94 175.15 1gya s TYR 86 N 1.28 2.59 0.33 3.97 2.02 0.61 -3.22 117.35 124.93 1gya s TYR 86 Ca 0.03 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.18 1gya s TYR 86 Cb -0.14 -1.84 0.06 0.00 -0.40 0.00 0.00 41.96 39.65 1gya s TYR 86 CO -0.12 0.28 0.45 -0.40 -1.57 0.00 0.00 175.55 174.19 1gya n ASP 87 N -1.15 0.73 0.23 2.29 5.68 -1.05 -0.60 116.55 122.66 1gya n ASP 87 Ca -0.02 -1.59 0.16 0.00 -0.50 0.00 0.00 54.79 52.84 1gya n ASP 87 Cb 0.64 -0.28 0.83 0.00 -1.14 0.00 0.00 41.12 41.17 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 -0.37 0.55 -0.91 2.12 1.35 -1.89 -2.53 112.91 111.24 1gya h THR 88 Ca -0.15 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.23 1gya h THR 88 Cb 0.58 0.89 -0.28 0.00 -1.73 0.00 0.00 68.15 67.62 1gya h THR 88 CO 0.17 0.00 0.62 0.29 -0.25 0.00 0.00 175.52 176.35 1gya n LYS 89 N -3.92 2.17 -1.13 4.72 4.76 -1.26 -4.86 118.16 118.63 1gya n LYS 89 Ca 0.00 -2.76 -0.05 0.00 -2.87 0.00 0.00 58.31 52.64 1gya n LYS 89 Cb 0.25 -2.08 -0.02 0.00 -1.84 0.00 0.00 35.03 31.34 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 -0.98 0.53 3.69 0.72 0.00 -0.95 -4.93 105.19 103.27 1gya n GLY 90 Ca 0.55 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.11 4.28 -0.79 1.61 1.02 -1.26 -4.91 119.74 117.59 1gya s LYS 91 Ca 0.00 0.55 -0.25 0.00 0.02 0.00 0.00 55.97 56.28 1gya s LYS 91 Cb 0.00 -3.51 -0.06 0.00 -0.52 0.00 0.00 37.83 33.75 1gya s LYS 91 CO 0.00 -0.03 2.04 1.21 -0.92 0.00 0.00 175.35 177.64 1gya s ASN 92 N 0.93 4.91 0.22 2.83 2.47 -1.26 -2.54 114.94 122.49 1gya s ASN 92 Ca 0.28 -0.22 0.11 0.00 0.42 0.00 0.00 52.86 53.45 1gya s ASN 92 Cb -0.16 -2.55 0.05 0.00 -1.45 0.00 0.00 41.25 37.14 1gya s ASN 92 CO 0.11 -2.87 1.43 -0.37 -3.72 0.00 0.00 177.10 171.68 1gya h VAL 93 N 7.28 1.32 -2.91 -5.21 -1.51 -1.91 -3.46 116.25 109.85 1gya h VAL 93 Ca -0.02 -2.66 -0.10 0.00 -1.23 0.00 0.00 66.70 62.69 1gya h VAL 93 Cb 1.06 2.52 -0.19 0.00 -2.13 0.00 0.00 31.29 32.55 1gya h VAL 93 CO 1.17 0.71 -0.17 -0.22 -1.23 0.00 0.00 177.57 177.84 1gya s LEU 94 N -6.78 0.53 0.11 4.19 2.96 -1.20 -5.09 118.68 113.41 1gya s LEU 94 Ca 0.02 0.13 -0.18 0.00 -0.22 0.00 0.00 54.13 53.88 1gya s LEU 94 Cb 0.10 1.57 0.04 0.00 0.50 0.00 0.00 46.19 48.40 1gya s LEU 94 CO 0.77 -0.54 0.44 -0.70 -1.32 0.00 0.00 176.35 175.00 1gya s GLU 95 N -1.69 1.07 0.02 1.98 -6.30 -1.26 -2.56 118.70 109.96 1gya s GLU 95 Ca -0.10 -0.58 -0.28 0.00 -2.50 0.00 0.00 54.97 51.50 1gya s GLU 95 Cb -0.03 0.47 0.10 0.00 0.00 0.00 0.00 34.13 34.67 1gya s GLU 95 CO 0.03 -0.41 0.86 0.21 0.02 0.00 0.00 175.26 175.97 1gya s LYS 96 N -3.46 0.88 -0.06 4.30 2.47 -0.78 -5.00 119.74 118.09 1gya s LYS 96 Ca 0.01 -0.33 0.06 0.00 -1.56 0.00 0.00 55.97 54.14 1gya s LYS 96 Cb 0.01 0.40 -0.01 0.00 -1.46 0.00 0.00 37.83 36.77 1gya s LYS 96 CO -0.10 -0.38 -0.25 0.42 0.16 0.00 0.00 175.35 175.20 1gya s ILE 97 N -3.19 2.09 0.11 5.43 1.01 -1.26 -1.92 121.20 123.48 1gya s ILE 97 Ca 0.05 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1gya s ILE 97 Cb -0.01 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1gya s ILE 97 CO -0.09 0.57 -0.05 -0.36 0.00 0.00 0.00 174.94 175.01 1gya s PHE 98 N -0.12 0.95 -0.39 3.97 0.08 0.20 -2.35 117.98 120.32 1gya s PHE 98 Ca -0.05 -0.94 0.03 0.00 0.12 0.00 0.00 56.93 56.10 1gya s PHE 98 Cb -0.14 -0.55 0.16 0.00 -0.57 0.00 0.00 43.02 41.92 1gya s PHE 98 CO 0.04 -0.16 0.38 -0.51 -0.10 0.00 0.00 175.22 174.87 1gya s ASP 99 N -3.07 1.18 -0.28 1.36 1.01 -1.22 -1.49 116.67 114.16 1gya s ASP 99 Ca 0.14 -2.05 -0.28 0.00 0.71 0.00 0.00 52.55 51.07 1gya s ASP 99 Cb 0.05 0.33 -0.05 0.00 1.01 0.00 0.00 42.92 44.27 1gya s ASP 99 CO -0.03 -0.22 2.20 -0.22 0.21 0.00 0.00 175.17 177.11 1gya s LEU 100 N 0.97 3.43 0.45 1.23 1.98 0.24 -3.82 118.68 123.17 1gya s LEU 100 Ca 0.22 1.66 0.08 0.00 -2.89 0.00 0.00 54.13 53.20 1gya s LEU 100 Cb -0.10 -3.33 0.01 0.00 0.66 0.00 0.00 46.19 43.43 1gya s LEU 100 CO -0.06 -2.10 0.48 -0.54 -1.89 0.00 0.00 176.35 172.24 1gya s LYS 101 N 6.62 2.54 0.10 1.98 1.02 -1.24 -2.92 119.74 127.84 1gya s LYS 101 Ca 0.97 -1.54 0.06 0.00 0.02 0.00 0.00 55.97 55.49 1gya s LYS 101 Cb -0.29 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 1gya s LYS 101 CO 0.33 -0.35 -0.16 0.42 -0.92 0.00 0.00 175.35 174.68 1gya s ILE 102 N -2.50 1.34 0.00 2.17 -1.09 -1.26 -0.12 121.20 119.73 1gya s ILE 102 Ca 0.50 -1.50 -0.02 0.00 -2.23 0.00 0.00 60.65 57.40 1gya s ILE 102 Cb -0.05 -1.34 -0.01 0.00 -1.58 0.00 0.00 42.46 39.48 1gya s ILE 102 CO 0.30 -0.24 0.04 -1.58 -1.23 0.00 0.00 174.94 172.22 1gya s GLN 103 N -2.08 0.28 -0.36 2.79 -0.44 -1.21 -4.79 119.66 113.85 1gya s GLN 103 Ca 0.04 -0.36 0.14 0.00 -2.50 0.00 0.00 55.36 52.68 1gya s GLN 103 Cb -0.08 0.11 0.41 0.00 -1.64 0.00 0.00 33.01 31.81 1gya s GLN 103 CO 0.03 -0.05 1.01 -1.91 0.50 0.00 0.00 175.29 174.87 1gya n GLU 104 N 1.98 1.11 0.00 1.67 0.00 -1.26 -4.47 120.64 119.67 1gya n GLU 104 Ca -0.20 -2.83 0.05 0.00 0.00 0.00 0.00 57.16 54.17 1gya n GLU 104 Cb 0.56 -1.05 0.04 0.00 0.00 0.00 0.00 31.44 30.99 1gya n GLU 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67