#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya s GLN 2 N 0.00 3.55 0.15 2.12 -0.21 -1.26 -1.44 119.66 122.57 2gya s GLN 2 Ca 0.00 1.91 0.05 0.00 0.02 0.00 0.00 55.36 57.34 2gya s GLN 2 Cb 0.00 -4.20 -0.04 0.00 1.00 0.00 0.00 33.01 29.77 2gya s GLN 2 CO 0.00 -1.60 -0.12 0.54 -2.12 0.00 0.00 175.29 171.99 2gya s VAL 3 N 6.39 1.30 -0.45 1.09 0.11 -0.10 -2.30 120.40 126.45 2gya s VAL 3 Ca 0.85 -1.96 -0.16 0.00 -2.93 0.00 0.00 61.98 57.78 2gya s VAL 3 Cb -0.30 -1.76 0.05 0.00 -1.53 0.00 0.00 36.38 32.84 2gya s VAL 3 CO 0.34 -0.61 0.41 -0.63 -3.33 0.00 0.00 175.10 171.28 2gya s ILE 4 N -2.86 5.16 -0.19 7.04 1.01 0.18 -0.94 121.20 130.61 2gya s ILE 4 Ca 0.15 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 2gya s ILE 4 Cb -0.01 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 2gya s ILE 4 CO 0.02 -0.51 1.39 -0.76 0.00 0.00 0.00 174.94 175.08 2gya s LEU 5 N 1.88 4.09 -0.13 2.97 1.43 -0.61 -1.66 118.68 126.65 2gya s LEU 5 Ca 0.07 1.66 0.07 0.00 -1.03 0.00 0.00 54.13 54.90 2gya s LEU 5 Cb -0.21 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.35 2gya s LEU 5 CO 0.10 -0.94 -0.03 0.18 0.23 0.00 0.00 176.35 175.89 2gya n LEU 6 N 7.21 1.26 0.00 1.79 4.77 -0.94 -4.28 117.00 126.82 2gya n LEU 6 Ca 0.15 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2gya n LEU 6 Cb 0.45 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2gya n LEU 6 CO 0.60 0.49 0.00 0.47 -1.33 0.00 0.00 177.39 177.62 2gya n ASP 7 N -2.65 0.00 -4.64 -1.43 9.92 -1.11 -0.92 116.55 115.72 2gya n ASP 7 Ca -0.23 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.62 2gya n ASP 7 Cb 0.84 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.28 2gya n ASP 7 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2gya s LYS 8 N 0.00 4.16 0.32 -1.24 2.20 -1.26 -2.96 119.74 120.95 2gya s LYS 8 Ca 0.00 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 2gya s LYS 8 Cb 0.00 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 2gya s LYS 8 CO 0.00 -0.54 0.00 0.28 -0.36 0.00 0.00 175.35 174.73 2gya n VAL 9 N 5.29 0.00 -2.96 4.02 0.31 -1.26 -4.93 118.33 118.80 2gya n VAL 9 Ca 0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.24 2gya n VAL 9 Cb 0.48 -0.07 -0.01 0.00 -0.91 0.00 0.00 33.84 33.32 2gya n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gya n ALA 10 N -3.19 0.07 0.00 3.52 0.00 -1.26 -4.94 120.51 114.71 2gya n ALA 10 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.39 2gya n ALA 10 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2gya n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gya n ASN 11 N 2.14 0.00 -3.83 0.00 3.02 -1.26 -4.71 115.26 110.61 2gya n ASN 11 Ca 0.18 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.61 2gya n ASN 11 Cb 0.56 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.64 2gya n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2gya s LEU 12 N 0.00 1.31 -0.06 3.41 2.01 -1.26 -4.74 118.68 119.35 2gya s LEU 12 Ca 0.00 -0.20 0.23 0.00 0.01 0.00 0.00 54.13 54.17 2gya s LEU 12 Cb 0.00 0.93 0.41 0.00 0.01 0.00 0.00 46.19 47.53 2gya s LEU 12 CO 0.00 -0.46 1.15 0.61 1.01 0.00 0.00 176.35 178.66 2gya n GLY 13 N 1.12 1.14 1.58 -3.19 0.00 -0.10 -4.68 105.19 101.06 2gya n GLY 13 Ca -0.21 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 2gya n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gya n SER 14 N 0.18 4.87 0.00 1.61 3.41 -0.91 -3.82 113.62 118.96 2gya n SER 14 Ca 0.02 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 2gya n SER 14 Cb 1.03 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2gya n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gya n LEU 15 N 1.62 0.00 0.00 1.04 7.99 -1.26 -5.07 117.00 121.32 2gya n LEU 15 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 2gya n LEU 15 Cb 0.49 -0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 2gya n LEU 15 CO 0.01 -0.40 0.00 0.61 -1.51 0.00 0.00 177.39 176.10 2gya n GLY 16 N 2.71 -1.84 3.32 -0.72 0.00 -1.26 -4.94 105.19 102.46 2gya n GLY 16 Ca 0.00 0.84 -0.47 0.00 0.00 0.00 0.00 46.02 46.40 2gya n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gya s ASP 17 N 0.00 6.51 -0.16 1.61 1.01 -1.26 -5.03 116.67 119.34 2gya s ASP 17 Ca 0.00 -2.28 -0.26 0.00 0.71 0.00 0.00 52.55 50.73 2gya s ASP 17 Cb 0.00 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 2gya s ASP 17 CO 0.00 -0.71 0.85 0.00 0.21 0.00 0.00 175.17 175.52 2gya s GLN 18 N 0.84 4.31 -0.03 8.23 0.00 -1.26 -1.57 119.66 130.18 2gya s GLN 18 Ca 0.11 1.05 -0.02 0.00 -0.00 0.00 0.00 55.36 56.50 2gya s GLN 18 Cb -0.19 -3.57 0.01 0.00 0.00 0.00 0.00 33.01 29.26 2gya s GLN 18 CO -0.04 -0.33 0.08 0.08 0.00 0.00 0.00 175.29 175.08 2gya s VAL 19 N 2.15 -0.01 -0.47 3.63 1.01 -0.12 -4.92 120.40 121.67 2gya s VAL 19 Ca 0.39 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 2gya s VAL 19 Cb -0.17 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.12 2gya s VAL 19 CO 0.13 0.02 1.03 0.54 0.00 0.00 0.00 175.10 176.81 2gya s ASN 20 N 0.24 6.57 0.00 3.32 4.22 -1.26 -0.92 114.94 127.11 2gya s ASN 20 Ca -0.02 0.30 0.00 0.00 -2.14 0.00 0.00 52.86 51.00 2gya s ASN 20 Cb -0.03 -2.50 0.00 0.00 1.28 0.00 0.00 41.25 40.00 2gya s ASN 20 CO -0.01 -1.15 0.00 1.33 -2.04 0.00 0.00 177.10 175.23 2gya n VAL 21 N 6.63 0.00 -2.54 3.54 0.24 -0.52 -4.72 118.33 120.96 2gya n VAL 21 Ca 0.09 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.98 2gya n VAL 21 Cb 0.49 -0.60 -0.04 0.00 -1.47 0.00 0.00 33.84 32.22 2gya n VAL 21 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2gya s LYS 22 N 0.25 4.59 0.29 7.34 1.02 -1.26 -2.43 119.74 129.53 2gya s LYS 22 Ca 0.00 1.68 -0.28 0.00 0.02 0.00 0.00 55.97 57.39 2gya s LYS 22 Cb 0.00 -3.31 -0.10 0.00 -0.52 0.00 0.00 37.83 33.91 2gya s LYS 22 CO 0.00 0.05 0.94 0.00 -0.92 0.00 0.00 175.35 175.42 2gya s ALA 23 N -0.01 3.26 0.00 5.17 0.00 -1.26 -2.85 121.76 126.06 2gya s ALA 23 Ca 0.50 0.56 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2gya s ALA 23 Cb -0.28 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2gya s ALA 23 CO 0.33 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2gya n GLY 24 N 0.91 1.27 0.19 0.00 0.00 -1.26 -4.62 105.19 101.68 2gya n GLY 24 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 2gya n GLY 24 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2gya h TYR 25 N 0.00 0.51 0.03 1.61 3.20 -1.99 -2.85 116.97 117.49 2gya h TYR 25 Ca 0.00 -0.19 -0.24 0.00 3.14 0.00 0.00 58.73 61.44 2gya h TYR 25 Cb 0.00 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2gya h TYR 25 CO 0.00 0.89 -1.02 0.00 -1.64 0.00 0.00 178.16 176.40 2gya h ALA 26 N 1.06 0.29 0.00 1.82 0.00 -1.78 -2.08 119.26 118.58 2gya h ALA 26 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2gya h ALA 26 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2gya h ALA 26 CO 0.10 0.84 0.00 0.54 0.00 0.00 0.00 179.25 180.73 2gya n ARG 27 N -3.71 0.07 -0.02 0.00 5.12 -1.20 -1.15 116.66 115.77 2gya n ARG 27 Ca -0.07 0.12 0.02 0.00 -1.93 0.00 0.00 57.85 55.99 2gya n ARG 27 Cb 0.88 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.58 2gya n ARG 27 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2gya n ASN 28 N -1.45 2.16 0.00 0.55 2.85 -1.08 -4.56 115.26 113.73 2gya n ASN 28 Ca 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 2gya n ASN 28 Cb 0.23 1.30 0.00 0.00 1.24 0.00 0.00 39.78 42.54 2gya n ASN 28 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2gya n PHE 29 N -2.10 0.00 -0.34 1.20 3.72 -0.79 -4.65 117.46 114.50 2gya n PHE 29 Ca -0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.31 2gya n PHE 29 Cb 0.52 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.09 2gya n PHE 29 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2gya n LEU 30 N -0.91 -0.57 0.23 4.37 4.32 -1.09 -0.66 117.00 122.69 2gya n LEU 30 Ca 0.00 1.54 -0.13 0.00 -0.02 0.00 0.00 56.01 57.39 2gya n LEU 30 Cb 0.00 -0.35 -0.07 0.00 -1.62 0.00 0.00 43.42 41.38 2gya n LEU 30 CO 0.00 -1.38 0.46 0.58 -1.22 0.00 0.00 177.39 175.83 2gya h VAL 31 N 0.00 0.39 -0.98 4.08 2.07 -1.32 0.11 116.25 120.60 2gya h VAL 31 Ca 0.30 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.43 2gya h VAL 31 Cb 0.52 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 2gya h VAL 31 CO -0.87 0.06 0.62 -0.65 0.02 0.00 0.00 177.57 176.76 2gya h PRO 32 N -0.97 0.99 0.00 1.57 0.11 -1.66 -0.34 132.00 131.71 2gya h PRO 32 Ca -0.06 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2gya h PRO 32 Cb 0.58 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2gya h PRO 32 CO 0.10 0.66 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 2gya n GLN 33 N -4.56 0.03 -2.16 1.05 10.64 0.16 -4.96 117.38 117.59 2gya n GLN 33 Ca 0.17 0.02 -0.02 0.00 -1.83 0.00 0.00 57.00 55.35 2gya n GLN 33 Cb 0.29 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 2gya n GLN 33 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2gya n GLY 34 N 1.33 -0.84 0.00 2.61 0.00 -0.14 -5.01 105.19 103.15 2gya n GLY 34 Ca 0.07 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2gya n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gya n LYS 35 N -0.93 2.33 -3.68 1.61 4.81 0.32 -4.92 118.16 117.71 2gya n LYS 35 Ca 0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.35 2gya n LYS 35 Cb 0.37 -0.60 -0.06 0.00 0.02 0.00 0.00 35.03 34.76 2gya n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gya s ALA 36 N -0.88 -0.87 -0.04 3.14 0.00 -1.22 -2.21 121.76 119.68 2gya s ALA 36 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.04 2gya s ALA 36 Cb 0.00 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.62 2gya s ALA 36 CO 0.00 -0.53 -0.11 0.08 0.00 0.00 0.00 175.76 175.20 2gya s VAL 37 N -3.14 0.96 0.38 0.00 1.01 -0.66 -4.32 120.40 114.64 2gya s VAL 37 Ca -0.01 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 2gya s VAL 37 Cb 0.01 -0.86 -0.13 0.00 0.00 0.00 0.00 36.38 35.40 2gya s VAL 37 CO -0.07 0.30 0.72 -2.65 0.00 0.00 0.00 175.10 173.40 2gya n PRO 38 N 3.47 0.82 -3.35 2.72 -0.02 -1.26 0.51 135.00 137.89 2gya n PRO 38 Ca -0.20 0.29 -0.46 0.00 -2.02 0.00 0.00 63.50 61.11 2gya n PRO 38 Cb 0.53 -1.64 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 2gya n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gya s ALA 39 N -1.33 4.24 0.00 3.55 0.00 -0.97 -4.66 121.76 122.60 2gya s ALA 39 Ca 0.63 -3.47 0.00 0.00 0.00 0.00 0.00 51.96 49.12 2gya s ALA 39 Cb -0.63 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 18.99 2gya s ALA 39 CO 0.58 -2.25 0.00 0.25 0.00 0.00 0.00 175.76 174.33 2gya n THR 40 N 3.61 0.00 -0.02 0.00 -2.24 -1.26 -4.94 114.28 109.43 2gya n THR 40 Ca 0.16 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2gya n THR 40 Cb 0.45 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.55 2gya n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2gya n LYS 41 N 0.00 0.65 0.07 -0.78 5.02 -1.26 -4.03 118.16 117.84 2gya n LYS 41 Ca 0.00 0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.12 2gya n LYS 41 Cb 0.00 -1.64 -0.11 0.00 -0.02 0.00 0.00 35.03 33.26 2gya n LYS 41 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2gya h LYS 42 N 0.00 0.63 0.13 1.97 6.56 -2.05 -3.00 116.57 120.81 2gya h LYS 42 Ca -0.24 -0.76 -0.01 0.00 -1.06 0.00 0.00 60.65 58.58 2gya h LYS 42 Cb 1.63 0.24 0.00 0.00 -0.57 0.00 0.00 32.23 33.53 2gya h LYS 42 CO 0.03 1.33 -0.06 -0.91 -2.06 0.00 0.00 179.45 177.78 2gya h ASN 43 N 0.31 -0.15 -0.43 0.86 4.21 -1.99 -1.27 115.58 117.12 2gya h ASN 43 Ca -0.16 -0.35 0.12 0.00 1.21 0.00 0.00 56.30 57.12 2gya h ASN 43 Cb 1.81 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 39.03 2gya h ASN 43 CO 0.22 0.31 0.31 -0.29 -1.29 0.00 0.00 177.43 176.69 2gya h ILE 44 N -0.65 0.80 0.00 2.81 6.09 -1.70 0.57 117.51 125.43 2gya h ILE 44 Ca -0.02 -0.02 -0.09 0.00 -1.37 0.00 0.00 64.86 63.36 2gya h ILE 44 Cb 0.49 0.76 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 2gya h ILE 44 CO 0.03 0.01 -0.44 -0.08 -3.07 0.00 0.00 178.15 174.60 2gya h GLU 45 N 0.05 0.00 0.08 2.19 4.81 -1.42 -2.38 114.58 117.91 2gya h GLU 45 Ca 0.21 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.25 2gya h GLU 45 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2gya h GLU 45 CO -0.01 0.44 -0.93 0.35 -0.73 0.00 0.00 179.01 178.13 2gya h PHE 46 N 0.00 0.32 -0.10 0.92 3.04 0.12 -3.20 116.94 118.04 2gya h PHE 46 Ca -0.00 -0.24 -0.16 0.00 3.98 0.00 0.00 57.97 61.55 2gya h PHE 46 Cb 1.31 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 39.82 2gya h PHE 46 CO 0.00 1.36 -0.57 0.74 -2.02 0.00 0.00 178.31 177.82 2gya h PHE 47 N -0.56 0.76 0.00 0.41 -1.00 -0.52 -2.95 116.94 113.09 2gya h PHE 47 Ca -0.20 -0.34 0.00 0.00 2.81 0.00 0.00 57.97 60.24 2gya h PHE 47 Cb 1.51 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.96 2gya h PHE 47 CO 0.17 1.13 0.00 0.93 -1.61 0.00 0.00 178.31 178.94 2gya h GLU 48 N 0.17 0.00 0.00 1.51 4.39 -1.61 0.29 114.58 119.32 2gya h GLU 48 Ca -0.04 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 2gya h GLU 48 Cb 1.22 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 2gya h GLU 48 CO 0.12 0.00 -0.53 0.00 -1.16 0.00 0.00 179.01 177.44 2gya h ALA 49 N 2.04 1.04 -0.13 3.43 0.00 -1.51 -2.68 119.26 121.45 2gya h ALA 49 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 2gya h ALA 49 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2gya h ALA 49 CO 0.00 0.66 -0.27 0.00 0.00 0.00 0.00 179.25 179.64 2gya h ARG 50 N 0.00 0.23 0.32 0.00 3.08 -0.94 0.09 114.38 117.16 2gya h ARG 50 Ca -0.01 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2gya h ARG 50 Cb 0.99 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2gya h ARG 50 CO 0.07 0.49 -0.15 0.00 -1.07 0.00 0.00 179.97 179.31 2gya h ARG 51 N 0.21 -0.41 -0.62 0.04 3.08 -1.50 0.26 114.38 115.45 2gya h ARG 51 Ca 0.03 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2gya h ARG 51 Cb 0.60 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 2gya h ARG 51 CO 0.04 -0.19 0.33 0.00 -1.07 0.00 0.00 179.97 179.08 2gya h ALA 52 N 0.09 0.80 -0.17 0.04 0.00 -1.46 -2.03 119.26 116.53 2gya h ALA 52 Ca -0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2gya h ALA 52 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2gya h ALA 52 CO 0.07 0.33 -0.12 1.49 0.00 0.00 0.00 179.25 181.01 2gya h GLU 53 N 0.84 0.27 -0.19 0.00 4.81 -0.85 0.39 114.58 119.85 2gya h GLU 53 Ca 0.22 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2gya h GLU 53 Cb 0.06 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2gya h GLU 53 CO -0.03 0.40 0.03 1.25 -0.73 0.00 0.00 179.01 179.93 2gya h LEU 54 N 0.25 0.30 -0.23 1.64 5.85 0.22 0.16 115.31 123.49 2gya h LEU 54 Ca 0.05 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 2gya h LEU 54 Cb 0.38 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2gya h LEU 54 CO 0.02 0.48 -0.49 1.05 -0.34 0.00 0.00 178.44 179.17 2gya h GLU 55 N 0.10 0.00 0.20 1.25 4.11 -1.15 -2.36 114.58 116.73 2gya h GLU 55 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 2gya h GLU 55 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2gya h GLU 55 CO 0.00 0.49 -0.10 0.00 0.07 0.00 0.00 179.01 179.47 2gya h ALA 56 N 1.51 -0.27 0.00 1.06 0.00 -0.07 -3.18 119.26 118.32 2gya h ALA 56 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2gya h ALA 56 Cb 1.28 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2gya h ALA 56 CO 0.06 -0.33 -0.07 0.87 0.00 0.00 0.00 179.25 179.79 2gya h LYS 57 N -0.92 0.00 -6.82 0.00 1.79 -0.79 -3.48 116.57 106.35 2gya h LYS 57 Ca -0.03 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.93 2gya h LYS 57 Cb 0.49 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.17 2gya h LYS 57 CO 0.05 0.07 0.50 -1.17 -1.08 0.00 0.00 179.45 177.82 2gya s LEU 58 N -7.83 4.53 0.00 2.94 2.96 -0.89 -4.63 118.68 115.77 2gya s LEU 58 Ca -0.04 2.34 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 2gya s LEU 58 Cb 0.15 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.21 2gya s LEU 58 CO 0.59 -0.21 0.00 0.00 -1.32 0.00 0.00 176.35 175.41 2gya n ALA 59 N 1.14 0.00 -0.28 5.97 0.00 -1.26 -5.00 120.51 121.08 2gya n ALA 59 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 2gya n ALA 59 Cb 0.44 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.95 2gya n ALA 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2gya h GLU 60 N 0.00 1.18 0.00 0.00 4.39 -1.98 0.85 114.58 119.02 2gya h GLU 60 Ca 0.00 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.33 2gya h GLU 60 Cb 0.00 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 2gya h GLU 60 CO 0.00 0.98 -0.62 -0.39 -1.16 0.00 0.00 179.01 177.82 2gya h VAL 61 N 1.14 1.27 0.06 3.13 -1.51 -1.95 -1.56 116.25 116.83 2gya h VAL 61 Ca 0.25 -2.27 -0.09 0.00 -1.23 0.00 0.00 66.70 63.36 2gya h VAL 61 Cb 0.27 2.29 0.01 0.00 -2.13 0.00 0.00 31.29 31.73 2gya h VAL 61 CO -0.01 0.61 -0.42 -0.07 -1.23 0.00 0.00 177.57 176.45 2gya h LEU 62 N 0.00 0.21 -0.95 4.19 4.07 -1.87 -2.09 115.31 118.87 2gya h LEU 62 Ca -0.01 -0.97 -0.03 0.00 0.08 0.00 0.00 57.88 56.96 2gya h LEU 62 Cb 1.24 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.87 2gya h LEU 62 CO 0.08 1.20 0.36 0.00 -1.08 0.00 0.00 178.44 179.00 2gya h ALA 63 N 0.02 1.18 -0.11 1.53 0.00 0.66 -0.09 119.26 122.45 2gya h ALA 63 Ca -0.08 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 2gya h ALA 63 Cb 1.31 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2gya h ALA 63 CO 0.06 0.62 -0.65 0.00 0.00 0.00 0.00 179.25 179.28 2gya h ALA 64 N 1.29 0.68 -0.07 0.00 0.00 -1.39 -2.59 119.26 117.18 2gya h ALA 64 Ca 0.27 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2gya h ALA 64 Cb 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2gya h ALA 64 CO -0.03 0.73 0.00 0.00 0.00 0.00 0.00 179.25 179.95 2gya h ALA 65 N 1.00 0.09 -0.82 0.00 0.00 -0.81 0.82 119.26 119.53 2gya h ALA 65 Ca -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2gya h ALA 65 Cb 1.20 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2gya h ALA 65 CO 0.11 -0.23 0.53 -0.91 0.00 0.00 0.00 179.25 178.75 2gya h ASN 66 N -0.17 0.88 0.24 0.00 2.35 -1.06 0.38 115.58 118.20 2gya h ASN 66 Ca 0.02 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 2gya h ASN 66 Cb 0.34 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2gya h ASN 66 CO 0.00 0.61 -0.45 0.00 -1.65 0.00 0.00 177.43 175.95 2gya h ALA 67 N 1.33 1.04 -0.26 -0.83 0.00 -1.37 -0.37 119.26 118.80 2gya h ALA 67 Ca 0.32 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2gya h ALA 67 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2gya h ALA 67 CO -0.11 0.62 -0.57 -0.09 0.00 0.00 0.00 179.25 179.10 2gya h ARG 68 N 0.21 0.82 -0.09 0.00 9.65 0.31 -2.79 114.38 122.49 2gya h ARG 68 Ca 0.02 -0.54 -0.14 0.00 -1.10 0.00 0.00 59.98 58.22 2gya h ARG 68 Cb 0.88 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.51 2gya h ARG 68 CO 0.07 1.17 -0.57 0.00 2.80 0.00 0.00 179.97 183.44 2gya h ALA 69 N 0.72 0.86 0.00 2.80 0.00 -0.12 -2.67 119.26 120.86 2gya h ALA 69 Ca 0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2gya h ALA 69 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2gya h ALA 69 CO 0.12 0.70 -0.12 1.49 0.00 0.00 0.00 179.25 181.44 2gya h GLU 70 N 0.22 0.00 0.00 0.00 4.81 -0.97 -1.83 114.58 116.81 2gya h GLU 70 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2gya h GLU 70 Cb 1.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2gya h GLU 70 CO 0.09 0.12 -0.56 -0.22 -0.73 0.00 0.00 179.01 177.71 2gya h LYS 71 N 0.00 0.00 -0.23 1.92 3.64 -1.20 -3.21 116.57 117.49 2gya h LYS 71 Ca -0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2gya h LYS 71 Cb 0.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2gya h LYS 71 CO 0.02 0.54 -0.20 0.82 -2.27 0.00 0.00 179.45 178.36 2gya h ILE 72 N 0.00 1.24 0.00 2.00 1.08 -1.20 -1.30 117.51 119.33 2gya h ILE 72 Ca -0.01 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 2gya h ILE 72 Cb 1.42 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 2gya h ILE 72 CO 0.07 0.36 0.00 0.59 -0.69 0.00 0.00 178.15 178.48 2gya n ASN 73 N -4.17 0.00 -0.02 1.72 3.02 -1.20 -0.30 115.26 114.32 2gya n ASN 73 Ca -0.00 -0.50 0.01 0.00 -0.03 0.00 0.00 54.58 54.06 2gya n ASN 73 Cb 0.36 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.45 2gya n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gya n ALA 74 N -0.87 2.15 -0.00 5.41 0.00 -0.50 -4.59 120.51 122.11 2gya n ALA 74 Ca 0.07 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 2gya n ALA 74 Cb 0.03 -0.21 -0.14 0.00 0.00 0.00 0.00 19.45 19.14 2gya n ALA 74 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2gya h LEU 75 N 0.00 0.38 -0.07 0.00 3.38 -0.84 -3.51 115.31 114.64 2gya h LEU 75 Ca -0.10 -0.90 0.07 0.00 0.09 0.00 0.00 57.88 57.04 2gya h LEU 75 Cb 0.91 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2gya h LEU 75 CO 0.01 1.81 -0.15 -0.62 0.09 0.00 0.00 178.44 179.58 2gya n GLU 76 N -3.62 -0.55 0.00 1.13 4.71 0.59 -5.07 120.64 117.83 2gya n GLU 76 Ca -0.31 0.40 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 2gya n GLU 76 Cb 1.00 -0.66 0.00 0.00 -1.01 0.00 0.00 31.44 30.77 2gya n GLU 76 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2gya n THR 77 N -2.53 0.00 -3.56 2.62 -2.24 -1.26 -4.98 114.28 102.33 2gya n THR 77 Ca -0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 2gya n THR 77 Cb 0.12 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.23 2gya n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2gya s VAL 78 N 0.00 0.80 0.28 2.28 1.01 -1.19 -5.00 120.40 118.58 2gya s VAL 78 Ca 0.00 -2.40 -0.30 0.00 0.00 0.00 0.00 61.98 59.28 2gya s VAL 78 Cb 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 36.38 34.70 2gya s VAL 78 CO 0.00 -1.02 1.60 0.28 0.00 0.00 0.00 175.10 175.96 2gya s THR 79 N 0.41 2.11 -0.05 3.92 -1.32 -1.26 -2.98 115.64 116.47 2gya s THR 79 Ca 0.22 0.09 -0.01 0.00 -1.21 0.00 0.00 61.69 60.78 2gya s THR 79 Cb -0.15 -3.06 0.03 0.00 -1.51 0.00 0.00 72.50 67.80 2gya s THR 79 CO -0.06 0.01 0.02 -0.63 -2.21 0.00 0.00 174.62 171.76 2gya s ILE 80 N 0.16 0.18 -0.14 5.08 -1.09 -0.16 -4.94 121.20 120.28 2gya s ILE 80 Ca 0.65 0.21 -0.07 0.00 -2.23 0.00 0.00 60.65 59.20 2gya s ILE 80 Cb -0.48 -0.35 -0.04 0.00 -1.58 0.00 0.00 42.46 40.02 2gya s ILE 80 CO 0.45 0.20 0.11 0.00 -1.23 0.00 0.00 174.94 174.48 2gya s ALA 81 N 1.77 3.72 -0.05 9.38 0.00 -1.26 0.02 121.76 135.34 2gya s ALA 81 Ca 0.01 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 2gya s ALA 81 Cb -0.13 -1.97 0.03 0.00 0.00 0.00 0.00 23.12 21.06 2gya s ALA 81 CO -0.04 0.45 0.38 -1.12 0.00 0.00 0.00 175.76 175.44 2gya s SER 82 N -0.50 -0.31 0.23 0.00 0.01 -1.05 -4.95 113.70 107.13 2gya s SER 82 Ca 0.12 0.32 -0.31 0.00 1.31 0.00 0.00 55.95 57.39 2gya s SER 82 Cb -0.12 0.45 -0.14 0.00 0.21 0.00 0.00 66.02 66.42 2gya s SER 82 CO 0.02 -0.41 1.25 0.29 0.41 0.00 0.00 173.24 174.80 2gya n LYS 83 N 1.54 1.62 -3.90 12.44 4.76 -1.26 -1.43 118.16 131.93 2gya n LYS 83 Ca -0.20 0.58 -0.09 0.00 -2.87 0.00 0.00 58.31 55.73 2gya n LYS 83 Cb 0.56 -2.13 -0.06 0.00 -1.84 0.00 0.00 35.03 31.57 2gya n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gya s ALA 84 N -0.33 -0.30 0.00 7.82 0.00 -1.14 -2.69 121.76 125.12 2gya s ALA 84 Ca 0.68 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2gya s ALA 84 Cb -0.72 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.28 2gya s ALA 84 CO 0.53 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.98 2gya n GLY 85 N -0.27 0.07 2.73 0.00 0.00 -0.69 -4.78 105.19 102.25 2gya n GLY 85 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2gya n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gya n ASP 86 N 0.00 4.63 -3.68 1.61 8.00 -1.08 -4.48 116.55 121.55 2gya n ASP 86 Ca 0.00 -2.58 -0.31 0.00 0.71 0.00 0.00 54.79 52.61 2gya n ASP 86 Cb 0.00 -1.30 0.04 0.00 -0.02 0.00 0.00 41.12 39.84 2gya n ASP 86 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2gya n GLU 87 N 5.35 -1.19 0.00 -1.24 2.13 -1.26 -1.92 120.64 122.52 2gya n GLU 87 Ca 0.54 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.83 2gya n GLU 87 Cb 0.29 -4.06 0.00 0.00 0.27 0.00 0.00 31.44 27.94 2gya n GLU 87 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gya n GLY 88 N -1.69 2.83 3.86 8.31 0.00 -1.26 -5.03 105.19 112.20 2gya n GLY 88 Ca -0.09 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 2gya n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gya s LYS 89 N 0.00 3.21 0.36 1.61 -0.14 -0.81 -2.43 119.74 121.54 2gya s LYS 89 Ca 0.00 0.73 0.06 0.00 -1.36 0.00 0.00 55.97 55.40 2gya s LYS 89 Cb 0.00 -2.04 -0.01 0.00 -1.68 0.00 0.00 37.83 34.11 2gya s LYS 89 CO 0.00 -0.85 0.50 -0.51 -0.76 0.00 0.00 175.35 173.73 2gya s LEU 90 N -5.33 3.90 0.15 3.17 1.02 -0.44 -1.70 118.68 119.45 2gya s LEU 90 Ca 0.57 -0.18 0.26 0.00 0.02 0.00 0.00 54.13 54.79 2gya s LEU 90 Cb -0.12 -2.77 0.77 0.00 0.02 0.00 0.00 46.19 44.09 2gya s LEU 90 CO 0.54 -0.50 1.69 0.49 0.02 0.00 0.00 176.35 178.59 2gya n PHE 91 N -1.71 0.65 0.00 0.29 3.72 -1.10 -4.83 117.46 114.50 2gya n PHE 91 Ca 0.01 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2gya n PHE 91 Cb 0.58 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 2gya n PHE 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gya n GLY 92 N 1.36 4.98 3.61 1.37 0.00 -1.26 -5.13 105.19 110.11 2gya n GLY 92 Ca 0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 2gya n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gya s SER 93 N 1.00 -0.41 -0.67 1.61 1.04 -1.26 -4.85 113.70 110.16 2gya s SER 93 Ca 0.00 0.62 -0.22 0.00 0.48 0.00 0.00 55.95 56.84 2gya s SER 93 Cb 0.00 0.58 0.08 0.00 0.10 0.00 0.00 66.02 66.77 2gya s SER 93 CO 0.00 -0.25 0.94 -0.63 0.98 0.00 0.00 173.24 174.28 2gya s ILE 94 N -0.46 4.42 0.10 -1.02 1.01 -1.23 -5.03 121.20 119.00 2gya s ILE 94 Ca 0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 2gya s ILE 94 Cb -0.03 -4.67 0.03 0.00 0.01 0.00 0.00 42.46 37.80 2gya s ILE 94 CO -0.02 -1.42 0.10 0.61 0.00 0.00 0.00 174.94 174.21 2gya n GLY 95 N 5.34 -2.17 0.24 6.18 0.00 -1.26 -4.72 105.19 108.79 2gya n GLY 95 Ca -0.02 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 2gya n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gya h THR 96 N -1.49 1.27 -0.52 2.61 1.03 -1.95 -2.47 112.91 111.39 2gya h THR 96 Ca -0.04 -1.14 -0.02 0.00 -0.01 0.00 0.00 66.41 65.21 2gya h THR 96 Cb 0.11 1.15 -0.03 0.00 -1.07 0.00 0.00 68.15 68.32 2gya h THR 96 CO 0.02 0.38 0.24 0.03 -0.01 0.00 0.00 175.52 176.19 2gya h ARG 97 N 0.61 0.73 -0.24 0.00 3.08 -1.93 -0.42 114.38 116.22 2gya h ARG 97 Ca 0.11 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 2gya h ARG 97 Cb 0.58 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2gya h ARG 97 CO 0.03 0.58 -0.42 -0.44 -1.07 0.00 0.00 179.97 178.65 2gya h ASP 98 N 0.73 0.61 -0.01 7.04 3.32 -1.87 -1.88 116.42 124.36 2gya h ASP 98 Ca 0.18 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2gya h ASP 98 Cb 0.10 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2gya h ASP 98 CO -0.02 0.96 -0.01 0.40 -1.72 0.00 0.00 179.24 178.85 2gya h ILE 99 N 0.47 1.37 -0.92 0.35 1.08 -0.91 0.03 117.51 118.98 2gya h ILE 99 Ca 0.04 -1.10 0.04 0.00 -0.39 0.00 0.00 64.86 63.44 2gya h ILE 99 Cb 0.93 2.10 -0.05 0.00 -3.07 0.00 0.00 36.82 36.73 2gya h ILE 99 CO 0.08 0.29 0.61 0.00 -0.69 0.00 0.00 178.15 178.44 2gya h ALA 100 N 0.54 1.42 -0.00 1.87 0.00 -1.10 0.69 119.26 122.68 2gya h ALA 100 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2gya h ALA 100 Cb 0.47 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2gya h ALA 100 CO 0.00 0.49 -0.80 0.22 0.00 0.00 0.00 179.25 179.16 2gya h ASP 101 N 1.15 0.03 0.07 0.00 3.58 -1.32 -2.29 116.42 117.64 2gya h ASP 101 Ca 0.37 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.69 2gya h ASP 101 Cb 0.03 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.07 2gya h ASP 101 CO -0.11 0.81 -0.51 0.00 -2.88 0.00 0.00 179.24 176.55 2gya h ALA 102 N 1.19 -0.01 -0.29 -0.78 0.00 -0.20 -2.99 119.26 116.17 2gya h ALA 102 Ca -0.01 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 2gya h ALA 102 Cb 1.41 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2gya h ALA 102 CO 0.11 0.25 -0.04 0.28 0.00 0.00 0.00 179.25 179.85 2gya h VAL 103 N -0.69 1.19 -0.06 0.00 2.07 0.26 -2.21 116.25 116.83 2gya h VAL 103 Ca -0.10 -0.79 -0.14 0.00 0.82 0.00 0.00 66.70 66.49 2gya h VAL 103 Cb 1.34 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2gya h VAL 103 CO 0.06 0.27 -0.59 0.00 0.02 0.00 0.00 177.57 177.33 2gya h THR 104 N 0.44 1.39 0.00 2.57 1.03 -1.44 -2.18 112.91 114.72 2gya h THR 104 Ca 0.09 -1.96 0.00 0.00 -0.01 0.00 0.00 66.41 64.54 2gya h THR 104 Cb 0.35 2.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.43 2gya h THR 104 CO 0.01 0.57 0.00 0.00 -0.01 0.00 0.00 175.52 176.10 2gya n ALA 105 N -2.46 1.55 0.14 0.00 0.00 -0.85 -2.16 120.51 116.74 2gya n ALA 105 Ca -0.02 0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 2gya n ALA 105 Cb 0.60 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 18.57 2gya n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gya h ALA 106 N 2.28 -0.16 0.00 0.00 0.00 -1.21 -3.48 119.26 116.68 2gya h ALA 106 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2gya h ALA 106 Cb 0.27 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2gya h ALA 106 CO 0.00 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2gya n GLY 107 N 1.72 -0.19 2.88 0.00 0.00 -0.92 -5.14 105.19 103.54 2gya n GLY 107 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 2gya n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gya s VAL 108 N 0.00 0.23 -0.60 1.61 -7.23 -1.23 -5.06 120.40 108.12 2gya s VAL 108 Ca 0.00 -0.04 -0.24 0.00 -1.81 0.00 0.00 61.98 59.89 2gya s VAL 108 Cb 0.00 -0.25 0.05 0.00 0.56 0.00 0.00 36.38 36.74 2gya s VAL 108 CO 0.00 0.11 0.97 -1.61 -0.31 0.00 0.00 175.10 174.25 2gya s GLU 109 N 0.42 3.25 -0.03 4.82 0.41 -1.26 -3.47 118.70 122.84 2gya s GLU 109 Ca -0.04 -0.45 0.02 0.00 -0.41 0.00 0.00 54.97 54.08 2gya s GLU 109 Cb -0.07 -4.12 0.01 0.00 -1.78 0.00 0.00 34.13 28.18 2gya s GLU 109 CO -0.01 -1.63 -0.06 0.54 -0.49 0.00 0.00 175.26 173.62 2gya s VAL 110 N 4.08 0.57 0.87 2.63 0.11 -1.26 -5.09 120.40 122.31 2gya s VAL 110 Ca 0.28 -0.20 -0.12 0.00 -2.93 0.00 0.00 61.98 59.02 2gya s VAL 110 Cb -0.14 -0.56 0.15 0.00 -1.53 0.00 0.00 36.38 34.30 2gya s VAL 110 CO 0.16 0.21 1.21 0.00 -3.33 0.00 0.00 175.10 173.35 2gya s ALA 111 N 0.57 2.65 0.06 1.54 0.00 -1.26 -4.75 121.76 120.57 2gya s ALA 111 Ca -0.08 -1.16 0.14 0.00 0.00 0.00 0.00 51.96 50.86 2gya s ALA 111 Cb -0.11 -2.66 0.23 0.00 0.00 0.00 0.00 23.12 20.57 2gya s ALA 111 CO 0.00 -2.02 1.52 1.57 0.00 0.00 0.00 175.76 176.83 2gya h LYS 112 N -1.24 0.00 0.00 0.00 2.10 -1.95 -3.11 116.57 112.37 2gya h LYS 112 Ca -0.43 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.14 2gya h LYS 112 Cb 1.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 2gya h LYS 112 CO 0.46 0.59 -0.37 0.77 -2.00 0.00 0.00 179.45 178.90 2gya h SER 113 N 0.00 0.00 1.11 7.07 0.02 -1.96 -2.32 113.55 117.48 2gya h SER 113 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2gya h SER 113 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2gya h SER 113 CO 0.08 0.37 0.00 -0.62 -1.14 0.00 0.00 176.83 175.52 2gya n GLU 114 N -3.69 0.07 -2.93 3.45 1.02 -1.18 -4.58 120.64 112.81 2gya n GLU 114 Ca -0.01 0.06 -0.44 0.00 -0.02 0.00 0.00 57.16 56.76 2gya n GLU 114 Cb 0.47 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 2gya n GLU 114 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2gya s VAL 115 N -3.03 4.52 -0.59 2.62 1.01 -0.87 0.38 120.40 124.43 2gya s VAL 115 Ca 0.13 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 2gya s VAL 115 Cb 0.17 -4.66 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 2gya s VAL 115 CO 0.54 -1.40 1.68 -0.60 0.00 0.00 0.00 175.10 175.33 2gya s ARG 116 N 3.46 2.91 -0.40 2.72 3.52 -0.88 -4.91 118.95 125.36 2gya s ARG 116 Ca 0.22 0.53 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 2gya s ARG 116 Cb -0.16 -4.29 0.15 0.00 -1.56 0.00 0.00 34.95 29.09 2gya s ARG 116 CO 0.05 -2.41 0.26 -1.17 -0.81 0.00 0.00 175.30 171.22 2gya s LEU 117 N 7.81 1.59 0.17 -0.88 2.96 -1.26 -4.21 118.68 124.85 2gya s LEU 117 Ca 0.61 -2.56 -0.14 0.00 -0.22 0.00 0.00 54.13 51.82 2gya s LEU 117 Cb -0.12 -0.59 0.12 0.00 0.50 0.00 0.00 46.19 46.10 2gya s LEU 117 CO 0.22 -0.26 1.77 -0.65 -1.32 0.00 0.00 176.35 176.11 2gya h PRO 118 N 6.55 0.39 -3.71 0.98 0.11 -1.98 -3.44 132.00 130.90 2gya h PRO 118 Ca 0.10 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.01 2gya h PRO 118 Cb 0.94 -0.09 -0.23 0.00 0.11 0.00 0.00 31.00 31.73 2gya h PRO 118 CO 0.35 0.26 -0.62 -0.80 -0.21 0.00 0.00 178.00 176.98 2gya s ASN 119 N -5.43 0.09 -0.52 -2.05 0.01 -1.26 -5.08 114.94 100.69 2gya s ASN 119 Ca -0.13 -0.23 -0.26 0.00 -0.71 0.00 0.00 52.86 51.53 2gya s ASN 119 Cb 0.13 0.15 -0.08 0.00 0.41 0.00 0.00 41.25 41.86 2gya s ASN 119 CO 0.73 -0.25 2.44 0.61 -1.51 0.00 0.00 177.10 179.12 2gya n GLY 120 N 1.95 0.14 0.09 0.66 0.00 -1.26 -4.76 105.19 102.02 2gya n GLY 120 Ca -0.20 0.69 -0.04 0.00 0.00 0.00 0.00 46.02 46.47 2gya n GLY 120 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2gya h VAL 121 N 7.72 0.75 -0.98 1.61 3.04 -1.97 -3.43 116.25 122.99 2gya h VAL 121 Ca -0.23 -2.38 -0.44 0.00 -1.01 0.00 0.00 66.70 62.64 2gya h VAL 121 Cb 1.27 2.27 -0.07 0.00 -2.01 0.00 0.00 31.29 32.75 2gya h VAL 121 CO 1.17 0.42 1.09 -0.76 -1.01 0.00 0.00 177.57 178.49 2gya s LEU 122 N -6.02 3.31 0.00 3.16 1.43 -1.26 -4.46 118.68 114.84 2gya s LEU 122 Ca -0.03 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 2gya s LEU 122 Cb 0.08 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2gya s LEU 122 CO 0.81 -2.18 0.00 0.54 0.23 0.00 0.00 176.35 175.75 2gya n ARG 123 N 8.90 2.38 -3.54 1.70 5.12 -1.26 -3.50 116.66 126.46 2gya n ARG 123 Ca 0.35 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 56.08 2gya n ARG 123 Cb 0.49 -0.79 -0.01 0.00 -1.16 0.00 0.00 32.46 30.98 2gya n ARG 123 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2gya s THR 124 N -1.48 3.86 -0.40 0.55 -4.23 -1.26 -1.32 115.64 111.35 2gya s THR 124 Ca 0.00 -1.10 -0.15 0.00 -1.18 0.00 0.00 61.69 59.26 2gya s THR 124 Cb 0.00 -3.32 0.01 0.00 1.34 0.00 0.00 72.50 70.53 2gya s THR 124 CO 0.00 -0.15 0.31 0.42 -0.54 0.00 0.00 174.62 174.66 2gya s THR 125 N -2.22 5.24 -1.50 3.99 -4.23 -1.02 -4.81 115.64 111.08 2gya s THR 125 Ca 0.44 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2gya s THR 125 Cb -0.08 -3.90 0.00 0.00 1.34 0.00 0.00 72.50 69.85 2gya s THR 125 CO 0.30 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2gya n GLY 126 N 5.14 -0.73 3.51 3.99 0.00 -0.81 -4.95 105.19 111.34 2gya n GLY 126 Ca -0.11 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 2gya n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gya s GLU 127 N -0.70 3.79 0.15 1.61 -6.30 -1.26 -0.38 118.70 115.61 2gya s GLU 127 Ca 0.00 -0.41 0.08 0.00 -2.50 0.00 0.00 54.97 52.15 2gya s GLU 127 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 34.13 30.63 2gya s GLU 127 CO 0.00 -0.16 -0.18 -1.01 0.02 0.00 0.00 175.26 173.92 2gya s HIS 128 N 1.62 1.77 -0.46 5.30 3.76 0.05 -4.99 115.29 122.33 2gya s HIS 128 Ca 0.06 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 2gya s HIS 128 Cb -0.15 -0.90 0.12 0.00 1.11 0.00 0.00 32.58 32.76 2gya s HIS 128 CO 0.06 0.29 0.25 -1.83 -0.85 0.00 0.00 174.74 172.66 2gya s GLU 129 N -2.63 2.07 0.34 1.40 -1.05 -1.26 -0.24 118.70 117.33 2gya s GLU 129 Ca 0.13 -2.08 -0.25 0.00 -0.15 0.00 0.00 54.97 52.62 2gya s GLU 129 Cb -0.06 -3.54 -0.10 0.00 -0.44 0.00 0.00 34.13 29.98 2gya s GLU 129 CO 0.06 -1.08 0.96 0.08 0.95 0.00 0.00 175.26 176.23 2gya s VAL 130 N 0.67 4.15 -0.04 1.83 1.01 -0.06 -4.85 120.40 123.12 2gya s VAL 130 Ca 0.12 1.72 -0.03 0.00 0.00 0.00 0.00 61.98 63.78 2gya s VAL 130 Cb -0.22 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2gya s VAL 130 CO -0.04 0.08 0.15 -0.94 0.00 0.00 0.00 175.10 174.35 2gya s SER 131 N -1.65 6.25 0.21 3.32 1.04 -1.26 -0.37 113.70 121.24 2gya s SER 131 Ca 0.52 0.34 0.08 0.00 0.48 0.00 0.00 55.95 57.37 2gya s SER 131 Cb -0.18 -1.95 -0.05 0.00 0.10 0.00 0.00 66.02 63.94 2gya s SER 131 CO 0.23 0.30 -0.15 -0.36 0.98 0.00 0.00 173.24 174.25 2gya s PHE 132 N -1.23 1.76 -0.42 5.02 0.40 0.17 -2.07 117.98 121.60 2gya s PHE 132 Ca 0.24 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 2gya s PHE 132 Cb -0.12 -0.81 0.14 0.00 0.51 0.00 0.00 43.02 42.73 2gya s PHE 132 CO 0.14 0.39 0.24 -1.14 0.70 0.00 0.00 175.22 175.55 2gya s GLN 133 N -3.63 1.15 0.25 0.44 0.74 0.16 -1.83 119.66 116.94 2gya s GLN 133 Ca 0.23 -1.88 -0.03 0.00 0.05 0.00 0.00 55.36 53.73 2gya s GLN 133 Cb -0.01 -2.13 0.31 0.00 1.10 0.00 0.00 33.01 32.28 2gya s GLN 133 CO 0.07 -1.18 1.76 0.28 -0.55 0.00 0.00 175.29 175.68 2gya h VAL 134 N 5.19 1.24 -3.34 1.34 2.07 -1.63 -3.41 116.25 117.71 2gya h VAL 134 Ca 0.01 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 2gya h VAL 134 Cb 0.93 0.78 -0.12 0.00 -1.52 0.00 0.00 31.29 31.36 2gya h VAL 134 CO 0.44 0.35 -0.02 -2.28 0.02 0.00 0.00 177.57 176.08 2gya s HIS 135 N -5.08 -0.21 -0.90 1.57 5.65 -0.39 -4.94 115.29 110.99 2gya s HIS 135 Ca -0.10 -0.11 0.00 0.00 0.25 0.00 0.00 55.06 55.11 2gya s HIS 135 Cb 0.15 0.32 0.00 0.00 -1.18 0.00 0.00 32.58 31.87 2gya s HIS 135 CO 0.82 -0.77 0.95 -1.13 -0.65 0.00 0.00 174.74 173.95 2gya n SER 136 N -0.27 0.00 -0.00 9.88 3.41 -1.26 -1.38 113.62 124.00 2gya n SER 136 Ca -0.14 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2gya n SER 136 Cb 0.64 -0.45 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2gya n SER 136 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gya n GLU 137 N -1.45 0.25 -4.60 4.33 1.02 -1.26 -5.01 120.64 113.91 2gya n GLU 137 Ca 0.00 -0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2gya n GLU 137 Cb 0.05 -1.00 -0.14 0.00 -0.02 0.00 0.00 31.44 30.33 2gya n GLU 137 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2gya s VAL 138 N -2.00 3.16 0.26 2.62 1.01 -0.48 -5.11 120.40 119.86 2gya s VAL 138 Ca -0.00 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.41 2gya s VAL 138 Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 2gya s VAL 138 CO 0.00 0.51 0.00 -0.36 0.00 0.00 0.00 175.10 175.25 2gya s PHE 139 N 0.52 1.70 0.31 5.22 0.40 -1.26 -1.26 117.98 123.61 2gya s PHE 139 Ca -0.08 -0.90 -0.12 0.00 -0.60 0.00 0.00 56.93 55.23 2gya s PHE 139 Cb -0.15 -1.00 0.05 0.00 0.51 0.00 0.00 43.02 42.42 2gya s PHE 139 CO 0.04 0.01 0.66 0.00 0.70 0.00 0.00 175.22 176.63 2gya n ALA 140 N -0.49 -1.50 -3.11 5.36 0.00 -0.76 -4.89 120.51 115.12 2gya n ALA 140 Ca -0.04 -1.02 -0.12 0.00 0.00 0.00 0.00 53.44 52.25 2gya n ALA 140 Cb 0.64 0.80 -0.08 0.00 0.00 0.00 0.00 19.45 20.81 2gya n ALA 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2gya s LYS 141 N -2.07 0.74 -0.00 0.00 -2.85 -1.26 0.42 119.74 114.71 2gya s LYS 141 Ca 0.13 -0.37 0.04 0.00 -1.00 0.00 0.00 55.97 54.77 2gya s LYS 141 Cb -0.04 0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 2gya s LYS 141 CO 0.09 -0.22 -0.12 0.08 0.10 0.00 0.00 175.35 175.28 2gya s VAL 142 N -1.99 0.94 -0.37 1.79 1.01 0.50 -4.95 120.40 117.33 2gya s VAL 142 Ca -0.09 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 2gya s VAL 142 Cb -0.03 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2gya s VAL 142 CO 0.00 0.23 0.68 -0.51 0.00 0.00 0.00 175.10 175.50 2gya s ILE 143 N -0.35 4.83 0.04 2.22 -1.16 -1.26 -0.88 121.20 124.65 2gya s ILE 143 Ca 0.04 0.63 0.03 0.00 -0.51 0.00 0.00 60.65 60.84 2gya s ILE 143 Cb -0.05 -4.13 -0.04 0.00 0.61 0.00 0.00 42.46 38.85 2gya s ILE 143 CO -0.00 -0.38 0.01 -0.69 -2.81 0.00 0.00 174.94 171.06 2gya s VAL 144 N 2.85 4.12 -0.31 4.00 1.01 0.67 -3.15 120.40 129.59 2gya s VAL 144 Ca 0.26 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2gya s VAL 144 Cb -0.14 -2.90 0.09 0.00 0.00 0.00 0.00 36.38 33.42 2gya s VAL 144 CO 0.16 0.24 0.01 0.21 0.00 0.00 0.00 175.10 175.72 2gya s ASN 145 N -1.95 4.61 -0.35 3.32 2.47 -1.16 -0.77 114.94 121.11 2gya s ASN 145 Ca 0.23 -1.90 -0.28 0.00 0.42 0.00 0.00 52.86 51.33 2gya s ASN 145 Cb -0.12 -1.55 0.02 0.00 -1.45 0.00 0.00 41.25 38.15 2gya s ASN 145 CO 0.15 -0.33 1.05 -0.69 -3.72 0.00 0.00 177.10 173.56 2gya s VAL 146 N 1.01 4.48 0.04 -5.21 1.01 0.49 -0.99 120.40 121.23 2gya s VAL 146 Ca 0.05 1.56 -0.06 0.00 0.00 0.00 0.00 61.98 63.53 2gya s VAL 146 Cb -0.19 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 2gya s VAL 146 CO -0.08 -0.56 0.28 -0.69 0.00 0.00 0.00 175.10 174.05 2gya s VAL 147 N 3.73 5.29 0.05 2.92 1.01 0.10 -1.91 120.40 131.58 2gya s VAL 147 Ca 0.44 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 2gya s VAL 147 Cb -0.11 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 2gya s VAL 147 CO 0.18 0.29 1.15 0.00 0.00 0.00 0.00 175.10 176.72 2gya s ALA 148 N -1.38 3.34 -0.11 5.51 0.00 -1.26 -2.53 121.76 125.33 2gya s ALA 148 Ca 0.31 0.79 0.01 0.00 0.00 0.00 0.00 51.96 53.06 2gya s ALA 148 Cb -0.13 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.58 2gya s ALA 148 CO 0.19 -0.38 0.53 -1.91 0.00 0.00 0.00 175.76 174.18