#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qga n VAL 2 N 0.00 0.00 -4.35 5.09 0.31 -1.26 -5.03 118.33 113.09 1qga n VAL 2 Ca 0.00 -0.44 -0.21 0.00 -0.01 0.00 0.00 64.34 63.68 1qga n VAL 2 Cb 0.00 1.11 -0.11 0.00 -0.91 0.00 0.00 33.84 33.94 1qga n VAL 2 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1qga s THR 3 N -1.03 1.88 -0.00 2.52 -4.23 -1.26 -5.15 115.64 108.37 1qga s THR 3 Ca 0.07 -2.05 -0.19 0.00 -1.18 0.00 0.00 61.69 58.35 1qga s THR 3 Cb 0.06 -1.95 0.04 0.00 1.34 0.00 0.00 72.50 71.99 1qga s THR 3 CO 0.17 -0.39 0.41 0.28 -0.54 0.00 0.00 174.62 174.55 1qga s THR 4 N -2.33 0.05 -0.84 3.99 -1.32 -1.26 -5.10 115.64 108.83 1qga s THR 4 Ca 0.19 -0.39 -0.11 0.00 -1.21 0.00 0.00 61.69 60.17 1qga s THR 4 Cb -0.04 -0.80 0.22 0.00 -1.51 0.00 0.00 72.50 70.37 1qga s THR 4 CO 0.08 -0.22 0.77 -0.70 -2.21 0.00 0.00 174.62 172.34 1qga s GLU 5 N -1.68 3.52 0.07 7.08 2.56 -1.26 -5.05 118.70 123.95 1qga s GLU 5 Ca -0.10 -2.62 -0.36 0.00 0.00 0.00 0.00 54.97 51.89 1qga s GLU 5 Cb -0.03 -4.32 -0.16 0.00 2.00 0.00 0.00 34.13 31.62 1qga s GLU 5 CO 0.03 -1.27 1.45 0.00 -0.56 0.00 0.00 175.26 174.92 1qga n ALA 6 N 3.65 -0.24 -1.63 6.30 0.00 -1.26 -4.85 120.51 122.48 1qga n ALA 6 Ca 0.15 0.48 -0.46 0.00 0.00 0.00 0.00 53.44 53.61 1qga n ALA 6 Cb 0.44 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 1qga n ALA 6 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1qga n PRO 7 N 3.10 1.64 -2.17 0.00 -0.02 -1.26 -4.90 135.00 131.39 1qga n PRO 7 Ca 0.19 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 1qga n PRO 7 Cb 0.22 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1qga n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qga s ALA 8 N -0.19 3.55 0.39 3.55 0.00 -1.26 -5.01 121.76 122.78 1qga s ALA 8 Ca 0.69 1.16 -0.27 0.00 0.00 0.00 0.00 51.96 53.55 1qga s ALA 8 Cb -0.73 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 18.80 1qga s ALA 8 CO 0.52 -0.58 1.30 0.21 0.00 0.00 0.00 175.76 177.21 1qga s LYS 9 N -0.22 4.05 0.19 0.00 2.20 -1.26 -4.95 119.74 119.75 1qga s LYS 9 Ca 0.57 2.17 -0.30 0.00 -0.36 0.00 0.00 55.97 58.04 1qga s LYS 9 Cb -0.38 -2.82 -0.09 0.00 -1.51 0.00 0.00 37.83 33.04 1qga s LYS 9 CO 0.40 -0.43 1.30 0.54 -0.36 0.00 0.00 175.35 176.80 1qga s VAL 10 N -1.24 3.26 -0.02 4.02 0.11 -1.26 -5.00 120.40 120.26 1qga s VAL 10 Ca 0.55 1.03 -0.01 0.00 -2.93 0.00 0.00 61.98 60.62 1qga s VAL 10 Cb -0.38 -3.66 0.01 0.00 -1.53 0.00 0.00 36.38 30.82 1qga s VAL 10 CO 0.50 0.15 0.05 0.54 -3.33 0.00 0.00 175.10 173.01 1qga s VAL 11 N 0.15 -0.02 0.21 2.04 0.11 -1.26 -5.13 120.40 116.50 1qga s VAL 11 Ca 0.57 0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 59.38 1qga s VAL 11 Cb -0.36 -0.09 -0.10 0.00 -1.53 0.00 0.00 36.38 34.30 1qga s VAL 11 CO 0.38 0.03 1.43 -0.75 -3.33 0.00 0.00 175.10 172.86 1qga s LYS 12 N 0.40 4.28 0.19 1.54 2.20 -1.26 -4.98 119.74 122.11 1qga s LYS 12 Ca -0.03 2.25 -0.30 0.00 -0.36 0.00 0.00 55.97 57.52 1qga s LYS 12 Cb -0.05 -3.15 -0.09 0.00 -1.51 0.00 0.00 37.83 33.04 1qga s LYS 12 CO -0.01 -0.43 1.38 -1.58 -0.36 0.00 0.00 175.35 174.35 1qga s HIS 13 N 0.33 3.18 -0.07 4.03 5.65 -1.26 -5.04 115.29 122.11 1qga s HIS 13 Ca 0.61 1.08 0.02 0.00 0.25 0.00 0.00 55.06 57.02 1qga s HIS 13 Cb -0.41 -3.70 0.01 0.00 -1.18 0.00 0.00 32.58 27.31 1qga s HIS 13 CO 0.39 -2.28 -0.11 0.45 -0.65 0.00 0.00 174.74 172.53 1qga s SER 14 N 0.55 1.77 0.00 9.88 0.15 -1.26 -5.00 113.70 119.79 1qga s SER 14 Ca 0.60 -0.29 0.29 0.00 0.70 0.00 0.00 55.95 57.25 1qga s SER 14 Cb -0.38 -0.81 1.20 0.00 -1.71 0.00 0.00 66.02 64.32 1qga s SER 14 CO 0.37 0.01 1.89 0.29 1.20 0.00 0.00 173.24 177.00 1qga n LYS 15 N 3.94 0.08 -3.57 5.44 5.02 -1.26 -4.89 118.16 122.93 1qga n LYS 15 Ca -0.22 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.76 1qga n LYS 15 Cb 0.51 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 1qga n LYS 15 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1qga s LYS 16 N -2.93 3.63 -0.80 1.97 1.02 -1.26 0.03 119.74 121.40 1qga s LYS 16 Ca 0.16 -0.06 -0.23 0.00 0.02 0.00 0.00 55.97 55.86 1qga s LYS 16 Cb 0.19 -2.77 -0.16 0.00 -0.52 0.00 0.00 37.83 34.57 1qga s LYS 16 CO 0.54 0.38 1.91 1.04 -0.92 0.00 0.00 175.35 178.29 1qga n GLN 17 N -0.32 1.42 -0.23 1.68 6.02 0.17 -4.57 117.38 121.54 1qga n GLN 17 Ca -0.02 -1.91 0.08 0.00 -0.01 0.00 0.00 57.00 55.14 1qga n GLN 17 Cb 0.53 -3.05 0.21 0.00 1.02 0.00 0.00 30.24 28.94 1qga n GLN 17 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1qga n ASP 18 N 8.99 3.25 -4.62 1.08 5.75 -1.26 -4.81 116.55 124.93 1qga n ASP 18 Ca 0.48 -1.97 -0.43 0.00 -0.01 0.00 0.00 54.79 52.87 1qga n ASP 18 Cb 0.42 -0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 1qga n ASP 18 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1qga s GLU 19 N -1.03 3.62 -0.93 0.11 2.56 -1.26 -2.00 118.70 119.76 1qga s GLU 19 Ca 0.32 1.90 -0.01 0.00 0.00 0.00 0.00 54.97 57.19 1qga s GLU 19 Cb 0.17 -4.17 0.00 0.00 2.00 0.00 0.00 34.13 32.13 1qga s GLU 19 CO 0.23 -1.53 0.08 0.09 -0.56 0.00 0.00 175.26 173.57 1qga n ASN 20 N 9.40 -3.75 -4.76 -1.70 3.02 -1.26 -4.99 115.26 111.22 1qga n ASN 20 Ca 0.22 -0.05 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 1qga n ASN 20 Cb 0.45 -2.90 0.03 0.00 -0.61 0.00 0.00 39.78 36.74 1qga n ASN 20 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1qga s ILE 21 N -2.64 2.55 -0.13 2.41 2.07 -0.85 -5.03 121.20 119.58 1qga s ILE 21 Ca 0.04 0.38 0.01 0.00 -1.41 0.00 0.00 60.65 59.68 1qga s ILE 21 Cb -0.02 -3.18 0.02 0.00 0.13 0.00 0.00 42.46 39.41 1qga s ILE 21 CO 0.05 -0.04 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.19 1qga s VAL 22 N -1.48 1.63 0.08 4.00 1.01 -1.26 -5.13 120.40 119.25 1qga s VAL 22 Ca 0.72 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1qga s VAL 22 Cb -0.33 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1qga s VAL 22 CO 0.38 0.47 -0.14 0.68 0.00 0.00 0.00 175.10 176.49 1qga s VAL 23 N 1.10 1.10 -1.47 2.92 -7.23 -1.26 -4.48 120.40 111.08 1qga s VAL 23 Ca -0.03 -1.37 -0.09 0.00 -1.81 0.00 0.00 61.98 58.68 1qga s VAL 23 Cb -0.14 -1.13 0.06 0.00 0.56 0.00 0.00 36.38 35.72 1qga s VAL 23 CO -0.04 -0.28 0.84 0.59 -0.31 0.00 0.00 175.10 175.90 1qga n ASN 24 N 1.14 -3.25 -0.03 4.85 4.13 0.18 -4.79 115.26 117.49 1qga n ASN 24 Ca -0.20 -0.83 -0.13 0.00 1.68 0.00 0.00 54.58 55.10 1qga n ASN 24 Cb 0.55 -3.80 -0.09 0.00 -1.54 0.00 0.00 39.78 34.90 1qga n ASN 24 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1qga h LYS 25 N -1.97 0.13 -5.43 3.52 3.64 -1.55 -3.44 116.57 111.48 1qga h LYS 25 Ca -0.59 -0.07 -0.64 0.00 -1.27 0.00 0.00 60.65 58.08 1qga h LYS 25 Cb 1.37 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 33.01 1qga h LYS 25 CO 0.64 0.58 -0.62 -0.06 -2.27 0.00 0.00 179.45 177.73 1qga s PHE 26 N -4.26 3.13 0.28 1.91 0.40 -0.30 -4.95 117.98 114.19 1qga s PHE 26 Ca -0.15 -0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.18 1qga s PHE 26 Cb 0.03 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 1qga s PHE 26 CO 0.70 0.14 0.26 0.15 0.70 0.00 0.00 175.22 177.17 1qga s LYS 27 N 0.11 2.95 0.60 0.44 3.01 -1.25 -0.93 119.74 124.66 1qga s LYS 27 Ca 0.02 -1.08 0.30 0.00 -1.01 0.00 0.00 55.97 54.20 1qga s LYS 27 Cb -0.13 -2.60 1.86 0.00 -1.01 0.00 0.00 37.83 35.95 1qga s LYS 27 CO 0.02 0.29 2.26 -1.00 0.51 0.00 0.00 175.35 177.43 1qga h PRO 28 N 1.34 0.00 -0.60 -1.68 0.13 -1.99 -1.89 132.00 127.31 1qga h PRO 28 Ca -0.48 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.71 1qga h PRO 28 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 1qga h PRO 28 CO 0.59 0.00 0.31 0.87 -0.23 0.00 0.00 178.00 179.55 1qga h LYS 29 N 0.00 0.57 -2.08 0.86 1.79 -2.01 -3.31 116.57 112.39 1qga h LYS 29 Ca 0.00 -0.03 -0.51 0.00 -2.18 0.00 0.00 60.65 57.92 1qga h LYS 29 Cb 0.01 -0.13 -0.34 0.00 -1.58 0.00 0.00 32.23 30.19 1qga h LYS 29 CO -0.00 0.38 -0.90 -0.85 -1.08 0.00 0.00 179.45 176.99 1qga n GLU 30 N -4.84 0.28 -1.93 3.15 0.28 -0.87 -5.14 120.64 111.57 1qga n GLU 30 Ca 0.07 -2.97 -0.32 0.00 -0.16 0.00 0.00 57.16 53.77 1qga n GLU 30 Cb 0.17 -1.60 0.02 0.00 1.43 0.00 0.00 31.44 31.46 1qga n GLU 30 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1qga s PRO 31 N 0.11 3.21 0.16 3.44 0.04 -0.77 -3.89 135.00 137.30 1qga s PRO 31 Ca 0.33 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1qga s PRO 31 Cb 0.05 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1qga s PRO 31 CO -0.17 -0.90 1.18 -0.47 0.04 0.00 0.00 177.00 176.68 1qga s TYR 32 N -2.56 3.47 -0.34 0.56 5.04 0.03 -4.80 117.35 118.74 1qga s TYR 32 Ca 0.63 1.44 -0.11 0.00 -2.44 0.00 0.00 57.07 56.58 1qga s TYR 32 Cb -0.16 -3.39 0.00 0.00 0.35 0.00 0.00 41.96 38.76 1qga s TYR 32 CO 0.41 -1.09 0.20 0.08 -1.34 0.00 0.00 175.55 173.80 1qga s VAL 33 N 0.12 4.76 0.20 3.14 1.01 -1.26 -0.39 120.40 127.99 1qga s VAL 33 Ca 0.53 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1qga s VAL 33 Cb -0.31 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1qga s VAL 33 CO 0.35 -0.07 0.14 0.61 0.00 0.00 0.00 175.10 176.13 1qga n GLY 34 N 5.02 3.02 3.24 4.51 0.00 -0.78 -4.93 105.19 115.28 1qga n GLY 34 Ca -0.13 -2.22 -0.16 0.00 0.00 0.00 0.00 46.02 43.52 1qga n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qga s ARG 35 N -2.81 1.03 -0.19 1.61 0.52 -1.24 -1.82 118.95 116.05 1qga s ARG 35 Ca 0.10 -1.35 -0.20 0.00 -0.52 0.00 0.00 55.73 53.76 1qga s ARG 35 Cb -0.01 -0.72 -0.03 0.00 0.52 0.00 0.00 34.95 34.71 1qga s ARG 35 CO 0.07 0.11 0.60 0.00 0.02 0.00 0.00 175.30 176.09 1qga n LEU 37 N 4.88 2.58 -3.57 0.00 4.77 -0.48 0.67 117.00 125.85 1qga n LEU 37 Ca -0.02 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1qga n LEU 37 Cb 0.50 -0.99 -0.05 0.00 -2.33 0.00 0.00 43.42 40.55 1qga n LEU 37 CO 0.43 0.84 0.27 -1.48 -1.33 0.00 0.00 177.39 176.12 1qga s LEU 38 N -6.87 -0.03 -0.25 2.23 0.05 -1.23 -4.81 118.68 107.76 1qga s LEU 38 Ca -0.24 0.03 -0.03 0.00 0.05 0.00 0.00 54.13 53.94 1qga s LEU 38 Cb 0.07 2.12 0.14 0.00 -2.05 0.00 0.00 46.19 46.47 1qga s LEU 38 CO 0.74 -0.79 0.42 0.21 -0.55 0.00 0.00 176.35 176.38 1qga s ASN 39 N -2.29 -0.08 -0.01 1.48 3.84 -1.26 -2.17 114.94 114.45 1qga s ASN 39 Ca -0.02 0.40 0.05 0.00 0.21 0.00 0.00 52.86 53.49 1qga s ASN 39 Cb -0.00 1.32 -0.01 0.00 -0.55 0.00 0.00 41.25 42.01 1qga s ASN 39 CO -0.06 -0.29 -0.16 -0.89 -2.79 0.00 0.00 177.10 172.92 1qga s THR 40 N 2.61 1.23 -0.02 -5.21 2.01 0.05 -4.97 115.64 111.34 1qga s THR 40 Ca 0.13 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 1qga s THR 40 Cb -0.15 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1qga s THR 40 CO -0.17 0.35 1.09 -0.75 -0.69 0.00 0.00 174.62 174.45 1qga s LYS 41 N -0.37 4.46 0.00 4.92 2.20 -1.26 -0.96 119.74 128.72 1qga s LYS 41 Ca 0.06 1.56 0.22 0.00 -0.36 0.00 0.00 55.97 57.44 1qga s LYS 41 Cb -0.06 -3.47 0.18 0.00 -1.51 0.00 0.00 37.83 32.97 1qga s LYS 41 CO -0.01 -0.24 1.19 0.44 -0.36 0.00 0.00 175.35 176.37 1qga n ILE 42 N 4.19 0.02 -4.08 5.43 -5.35 -0.67 -4.92 119.36 113.98 1qga n ILE 42 Ca 0.08 -0.51 -0.28 0.00 -0.27 0.00 0.00 62.75 61.78 1qga n ILE 42 Cb 0.48 1.43 -0.06 0.00 -1.74 0.00 0.00 39.64 39.76 1qga n ILE 42 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1qga s THR 43 N -1.79 4.44 0.62 7.28 -4.23 -1.24 -4.83 115.64 115.88 1qga s THR 43 Ca 0.26 -1.00 -0.16 0.00 -1.18 0.00 0.00 61.69 59.60 1qga s THR 43 Cb 0.18 -3.22 -0.02 0.00 1.34 0.00 0.00 72.50 70.78 1qga s THR 43 CO 0.27 -0.03 1.09 -0.83 -0.54 0.00 0.00 174.62 174.58 1qga s GLY 44 N -2.85 2.22 0.65 3.99 0.00 0.87 -4.88 107.32 107.32 1qga s GLY 44 Ca 0.30 0.53 0.36 0.00 0.00 0.00 0.00 44.72 45.91 1qga s GLY 44 CO 0.22 0.87 2.15 -0.55 0.00 0.00 0.00 173.10 175.79 1qga h ASP 45 N 0.37 0.00 0.96 1.64 3.32 -1.95 0.10 116.42 120.86 1qga h ASP 45 Ca -0.47 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.36 1qga h ASP 45 Cb 1.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 1qga h ASP 45 CO 0.56 0.00 -1.04 -2.24 -1.72 0.00 0.00 179.24 174.80 1qga h ASP 46 N 0.00 0.03 -3.15 6.45 3.04 -1.93 -3.48 116.42 117.39 1qga h ASP 46 Ca 0.02 -0.04 -0.56 0.00 -3.24 0.00 0.00 57.03 53.21 1qga h ASP 46 Cb 0.36 -0.01 0.19 0.00 -1.04 0.00 0.00 39.33 38.82 1qga h ASP 46 CO -0.00 1.03 -0.44 0.00 -2.04 0.00 0.00 179.24 177.78 1qga n ALA 47 N -2.37 -1.61 -0.24 4.15 0.00 0.36 -4.87 120.51 115.93 1qga n ALA 47 Ca -0.01 -0.23 0.03 0.00 0.00 0.00 0.00 53.44 53.22 1qga n ALA 47 Cb 0.95 -1.83 0.26 0.00 0.00 0.00 0.00 19.45 18.83 1qga n ALA 47 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qga h PRO 48 N -0.35 0.95 -5.01 0.00 0.13 -1.92 -3.45 132.00 122.35 1qga h PRO 48 Ca -0.45 -0.06 -0.53 0.00 -0.87 0.00 0.00 66.00 64.09 1qga h PRO 48 Cb 1.35 -0.21 -0.13 0.00 0.13 0.00 0.00 31.00 32.14 1qga h PRO 48 CO 0.42 0.63 -0.52 0.20 -0.23 0.00 0.00 178.00 178.50 1qga s GLY 49 N -3.41 2.48 -0.13 1.56 0.00 -1.26 -5.15 107.32 101.40 1qga s GLY 49 Ca -0.11 -1.44 -0.03 0.00 0.00 0.00 0.00 44.72 43.15 1qga s GLY 49 CO 0.79 -1.76 -0.03 -0.54 0.00 0.00 0.00 173.10 171.55 1qga s GLU 50 N -3.71 3.43 -0.06 2.90 2.02 -1.26 -4.91 118.70 117.12 1qga s GLU 50 Ca 0.28 -0.50 0.04 0.00 0.02 0.00 0.00 54.97 54.82 1qga s GLU 50 Cb 0.03 -2.86 -0.00 0.00 0.10 0.00 0.00 34.13 31.40 1qga s GLU 50 CO 0.16 0.39 -0.20 0.99 0.02 0.00 0.00 175.26 176.62 1qga s THR 51 N -0.03 1.68 0.04 3.63 2.01 -1.26 -0.55 115.64 121.15 1qga s THR 51 Ca 0.02 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.25 1qga s THR 51 Cb -0.13 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1qga s THR 51 CO 0.02 0.48 -0.22 0.26 -0.69 0.00 0.00 174.62 174.47 1qga s TRP 52 N 0.11 1.95 -0.18 4.92 0.52 -0.02 -1.67 118.94 124.58 1qga s TRP 52 Ca -0.08 -0.38 -0.06 0.00 0.02 0.00 0.00 56.10 55.60 1qga s TRP 52 Cb -0.14 -1.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.97 1qga s TRP 52 CO 0.04 0.08 0.03 -1.58 0.02 0.00 0.00 176.95 175.54 1qga s HIS 53 N -0.76 3.16 0.02 -1.98 2.46 -0.14 -0.92 115.29 117.12 1qga s HIS 53 Ca 0.09 -0.08 0.01 0.00 0.47 0.00 0.00 55.06 55.54 1qga s HIS 53 Cb -0.09 -2.04 -0.01 0.00 -0.13 0.00 0.00 32.58 30.30 1qga s HIS 53 CO 0.02 0.06 -0.03 0.00 -2.47 0.00 0.00 174.74 172.32 1qga s MET 54 N 0.42 0.28 -0.07 2.88 0.23 -0.75 -0.77 119.30 121.53 1qga s MET 54 Ca 0.01 -0.44 0.04 0.00 -1.03 0.00 0.00 55.69 54.27 1qga s MET 54 Cb -0.13 -0.03 -0.00 0.00 -1.53 0.00 0.00 34.83 33.13 1qga s MET 54 CO 0.01 -0.01 -0.21 0.08 -2.03 0.00 0.00 175.02 172.87 1qga s VAL 55 N -0.95 1.78 0.09 5.16 1.01 -0.92 -1.25 120.40 125.31 1qga s VAL 55 Ca -0.09 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.10 1qga s VAL 55 Cb -0.07 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1qga s VAL 55 CO -0.00 0.50 -0.26 -0.36 0.00 0.00 0.00 175.10 174.97 1qga s PHE 56 N 0.15 2.33 0.26 5.22 0.08 0.69 -1.39 117.98 125.32 1qga s PHE 56 Ca -0.10 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.26 1qga s PHE 56 Cb -0.15 -1.33 -0.09 0.00 -0.57 0.00 0.00 43.02 40.88 1qga s PHE 56 CO 0.05 0.23 0.98 -1.54 -0.10 0.00 0.00 175.22 174.84 1qga s SER 57 N -1.64 7.52 0.00 1.36 1.04 0.05 -1.48 113.70 120.54 1qga s SER 57 Ca 0.13 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.58 1qga s SER 57 Cb -0.10 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1qga s SER 57 CO 0.04 0.06 0.15 0.35 0.98 0.00 0.00 173.24 174.82 1qga n THR 58 N 1.33 0.00 -2.38 2.02 -2.24 0.29 -3.66 114.28 109.63 1qga n THR 58 Ca -0.01 -0.34 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 1qga n THR 58 Cb 0.47 1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 69.84 1qga n THR 58 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1qga n GLU 59 N -0.37 -2.37 -0.45 -0.78 0.28 -0.92 -0.50 120.64 115.52 1qga n GLU 59 Ca 0.00 0.43 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1qga n GLU 59 Cb 0.04 -4.97 0.00 0.00 1.43 0.00 0.00 31.44 27.93 1qga n GLU 59 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qga n GLY 60 N -0.68 1.77 0.24 -1.84 0.00 -1.26 -4.93 105.19 98.50 1qga n GLY 60 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1qga n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qga h GLU 61 N 2.75 0.00 -4.22 1.61 4.39 -1.11 -3.39 114.58 114.60 1qga h GLU 61 Ca 0.00 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 58.96 1qga h GLU 61 Cb 0.00 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 28.38 1qga h GLU 61 CO 0.00 0.11 -0.32 0.08 -1.16 0.00 0.00 179.01 177.72 1qga s VAL 62 N -4.76 4.68 -0.84 3.13 1.01 -1.26 -5.00 120.40 117.36 1qga s VAL 62 Ca -0.04 -1.60 -0.06 0.00 0.00 0.00 0.00 61.98 60.28 1qga s VAL 62 Cb 0.16 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1qga s VAL 62 CO 0.68 -0.78 2.41 -0.81 0.00 0.00 0.00 175.10 176.59 1qga n PRO 63 N 5.07 2.23 -2.96 2.72 -0.04 -1.26 -4.96 135.00 135.80 1qga n PRO 63 Ca -0.11 -1.42 -0.28 0.00 -0.04 0.00 0.00 63.50 61.66 1qga n PRO 63 Cb 0.41 -2.37 -0.02 0.00 -0.04 0.00 0.00 33.50 31.48 1qga n PRO 63 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1qga s TYR 64 N 2.73 3.51 0.22 0.54 -0.85 -1.26 -4.44 117.35 117.80 1qga s TYR 64 Ca 0.47 0.75 0.05 0.00 -0.52 0.00 0.00 57.07 57.82 1qga s TYR 64 Cb 0.15 -2.22 -0.05 0.00 0.38 0.00 0.00 41.96 40.21 1qga s TYR 64 CO -0.03 -0.08 -0.05 -0.98 -1.52 0.00 0.00 175.55 172.89 1qga s ARG 65 N -4.22 1.33 0.12 -3.49 1.70 -1.26 -4.62 118.95 108.51 1qga s ARG 65 Ca 0.46 -1.65 -0.34 0.00 -0.47 0.00 0.00 55.73 53.74 1qga s ARG 65 Cb -0.10 -0.81 -0.17 0.00 -0.57 0.00 0.00 34.95 33.30 1qga s ARG 65 CO 0.37 0.00 0.99 0.39 -1.08 0.00 0.00 175.30 175.98 1qga n GLU 66 N -0.41 0.54 -0.20 3.89 4.71 -1.26 -2.44 120.64 125.47 1qga n GLU 66 Ca -0.07 0.19 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1qga n GLU 66 Cb 0.63 -1.58 0.00 0.00 -1.01 0.00 0.00 31.44 29.48 1qga n GLU 66 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qga n GLY 67 N 1.86 1.01 3.98 0.62 0.00 -1.26 -4.20 105.19 107.20 1qga n GLY 67 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1qga n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qga s GLN 68 N -0.58 2.41 0.27 1.61 -0.21 -1.02 -4.31 119.66 117.83 1qga s GLN 68 Ca 0.00 -0.84 0.11 0.00 0.02 0.00 0.00 55.36 54.65 1qga s GLN 68 Cb 0.00 -2.47 -0.05 0.00 1.00 0.00 0.00 33.01 31.50 1qga s GLN 68 CO 0.00 -0.83 -0.20 -1.12 -2.12 0.00 0.00 175.29 171.03 1qga s SER 69 N -4.48 3.47 0.06 5.90 0.01 -0.29 -1.79 113.70 116.59 1qga s SER 69 Ca 0.59 -1.02 0.06 0.00 1.31 0.00 0.00 55.95 56.89 1qga s SER 69 Cb -0.10 -0.28 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 1qga s SER 69 CO 0.39 0.02 -0.17 0.27 0.41 0.00 0.00 173.24 174.16 1qga s ILE 70 N -2.50 1.39 0.33 1.44 -4.36 -0.62 -1.43 121.20 115.44 1qga s ILE 70 Ca 0.29 -1.22 -0.06 0.00 -0.26 0.00 0.00 60.65 59.39 1qga s ILE 70 Cb -0.05 -1.26 -0.05 0.00 1.25 0.00 0.00 42.46 42.35 1qga s ILE 70 CO 0.14 0.00 0.61 -0.83 0.24 0.00 0.00 174.94 175.10 1qga s GLY 71 N -1.42 1.84 -0.07 6.27 0.00 -0.70 -1.20 107.32 112.04 1qga s GLY 71 Ca 0.04 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.29 1qga s GLY 71 CO 0.02 -0.36 -0.14 -0.42 0.00 0.00 0.00 173.10 172.20 1qga s ILE 72 N -2.19 1.27 -0.54 0.90 -1.09 0.11 -1.85 121.20 117.81 1qga s ILE 72 Ca 0.46 -0.56 -0.11 0.00 -2.23 0.00 0.00 60.65 58.20 1qga s ILE 72 Cb -0.11 -1.14 0.14 0.00 -1.58 0.00 0.00 42.46 39.77 1qga s ILE 72 CO 0.31 0.38 0.44 -0.69 -1.23 0.00 0.00 174.94 174.16 1qga s VAL 73 N 0.56 4.60 0.40 2.92 1.01 -0.74 -1.23 120.40 127.92 1qga s VAL 73 Ca -0.14 -1.87 -0.26 0.00 0.00 0.00 0.00 61.98 59.70 1qga s VAL 73 Cb -0.16 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1qga s VAL 73 CO 0.04 -0.84 1.34 -2.16 0.00 0.00 0.00 175.10 173.48 1qga s PRO 74 N 1.19 3.99 0.77 2.72 0.04 -1.26 -4.17 135.00 138.27 1qga s PRO 74 Ca 0.07 2.24 -0.13 0.00 0.04 0.00 0.00 61.00 63.22 1qga s PRO 74 Cb -0.25 -2.80 0.06 0.00 0.04 0.00 0.00 34.50 31.55 1qga s PRO 74 CO -0.01 -0.50 1.17 -0.51 0.04 0.00 0.00 177.00 177.18 1qga s ASP 75 N -0.62 4.05 0.00 6.66 1.01 -1.26 -4.43 116.67 122.08 1qga s ASP 75 Ca 0.56 2.21 0.00 0.00 0.71 0.00 0.00 52.55 56.03 1qga s ASP 75 Cb -0.40 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 40.96 1qga s ASP 75 CO 0.52 -2.35 0.00 0.61 0.21 0.00 0.00 175.17 174.15 1qga n GLY 76 N 0.04 -1.58 3.07 0.21 0.00 -1.26 -4.95 105.19 100.73 1qga n GLY 76 Ca 0.12 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 1qga n GLY 76 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qga s ILE 77 N 0.00 0.30 0.61 -0.61 -4.36 -1.26 -3.83 121.20 112.05 1qga s ILE 77 Ca 0.00 -1.54 -0.08 0.00 -0.26 0.00 0.00 60.65 58.77 1qga s ILE 77 Cb 0.00 -1.15 0.14 0.00 1.25 0.00 0.00 42.46 42.70 1qga s ILE 77 CO 0.00 -0.80 0.83 -0.90 0.24 0.00 0.00 174.94 174.32 1qga n ASP 78 N 0.58 0.34 0.32 4.36 5.68 0.24 -4.88 116.55 123.20 1qga n ASP 78 Ca -0.17 -1.47 0.20 0.00 -0.50 0.00 0.00 54.79 52.85 1qga n ASP 78 Cb 0.59 -0.61 1.10 0.00 -1.14 0.00 0.00 41.12 41.06 1qga n ASP 78 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1qga h LYS 79 N 0.00 0.00 -0.65 0.11 2.10 -2.01 -0.99 116.57 115.12 1qga h LYS 79 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1qga h LYS 79 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1qga h LYS 79 CO 0.22 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.76 1qga n ASN 80 N -3.23 3.82 -0.04 7.07 5.03 -1.26 -4.94 115.26 121.71 1qga n ASN 80 Ca -0.03 -2.17 -0.01 0.00 0.87 0.00 0.00 54.58 53.25 1qga n ASN 80 Cb 0.13 -0.48 -0.00 0.00 -1.02 0.00 0.00 39.78 38.40 1qga n ASN 80 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qga n GLY 81 N 1.33 0.41 3.86 7.41 0.00 -0.38 -5.02 105.19 112.80 1qga n GLY 81 Ca 0.22 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1qga n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qga s LYS 82 N -0.72 3.67 0.73 1.61 1.02 -1.26 -4.78 119.74 120.01 1qga s LYS 82 Ca 0.00 0.13 -0.16 0.00 0.02 0.00 0.00 55.97 55.96 1qga s LYS 82 Cb 0.00 -3.19 0.02 0.00 -0.52 0.00 0.00 37.83 34.14 1qga s LYS 82 CO 0.00 0.73 1.09 -2.30 -0.92 0.00 0.00 175.35 173.95 1qga n PRO 83 N 1.84 0.55 -2.62 -1.68 -0.02 -1.26 0.82 135.00 132.64 1qga n PRO 83 Ca -0.17 0.25 -0.36 0.00 -2.02 0.00 0.00 63.50 61.21 1qga n PRO 83 Cb 0.54 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 1qga n PRO 83 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1qga s HIS 84 N -1.80 3.32 0.43 6.00 3.76 -1.25 -4.72 115.29 121.03 1qga s HIS 84 Ca 0.75 1.66 -0.22 0.00 -0.15 0.00 0.00 55.06 57.10 1qga s HIS 84 Cb -0.34 -3.05 -0.09 0.00 1.11 0.00 0.00 32.58 30.21 1qga s HIS 84 CO 0.48 -0.44 1.01 0.15 -0.85 0.00 0.00 174.74 175.09 1qga s LYS 85 N -2.58 4.08 0.63 1.40 -0.14 -1.26 -4.77 119.74 117.09 1qga s LYS 85 Ca 0.58 1.35 -0.17 0.00 -1.36 0.00 0.00 55.97 56.36 1qga s LYS 85 Cb -0.19 -2.31 -0.02 0.00 -1.68 0.00 0.00 37.83 33.63 1qga s LYS 85 CO 0.24 -0.19 1.18 -0.48 -0.76 0.00 0.00 175.35 175.34 1qga s LEU 86 N -3.04 3.56 0.06 3.17 0.05 -1.26 -4.72 118.68 116.50 1qga s LEU 86 Ca 0.62 2.28 0.09 0.00 0.05 0.00 0.00 54.13 57.17 1qga s LEU 86 Cb -0.16 -4.59 -0.03 0.00 -2.05 0.00 0.00 46.19 39.36 1qga s LEU 86 CO 0.21 -1.68 -0.26 -0.13 -0.55 0.00 0.00 176.35 173.94 1qga s ARG 87 N -3.58 1.77 0.08 1.48 3.00 -0.36 -4.87 118.95 116.45 1qga s ARG 87 Ca 0.74 -1.14 -0.07 0.00 0.00 0.00 0.00 55.73 55.26 1qga s ARG 87 Cb -0.27 -1.99 -0.05 0.00 0.00 0.00 0.00 34.95 32.64 1qga s ARG 87 CO 0.36 0.51 0.35 -0.51 0.00 0.00 0.00 175.30 176.01 1qga s LEU 88 N -1.38 4.33 -0.03 2.53 1.43 -1.26 0.08 118.68 124.38 1qga s LEU 88 Ca 0.12 0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1qga s LEU 88 Cb -0.10 -2.98 0.03 0.00 0.03 0.00 0.00 46.19 43.17 1qga s LEU 88 CO 0.03 0.16 0.02 -0.31 0.23 0.00 0.00 176.35 176.48 1qga s TYR 89 N -1.44 0.21 0.26 0.29 2.02 -0.34 -4.97 117.35 113.39 1qga s TYR 89 Ca 0.34 0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.81 1qga s TYR 89 Cb -0.13 -0.39 -0.10 0.00 -0.40 0.00 0.00 41.96 40.94 1qga s TYR 89 CO 0.19 -0.14 1.38 -1.12 -1.57 0.00 0.00 175.55 174.30 1qga s SER 90 N 1.25 6.72 0.02 2.29 0.01 -1.26 -1.59 113.70 121.14 1qga s SER 90 Ca -0.07 2.63 -0.30 0.00 1.31 0.00 0.00 55.95 59.52 1qga s SER 90 Cb -0.13 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 1qga s SER 90 CO -0.02 -0.63 1.34 -0.63 0.41 0.00 0.00 173.24 173.70 1qga s ILE 91 N -0.29 3.78 -1.54 1.44 1.01 -0.74 -4.51 121.20 120.35 1qga s ILE 91 Ca 0.56 1.20 0.24 0.00 0.00 0.00 0.00 60.65 62.65 1qga s ILE 91 Cb -0.40 -3.77 0.06 0.00 0.01 0.00 0.00 42.46 38.36 1qga s ILE 91 CO 0.45 0.03 1.31 0.00 0.00 0.00 0.00 174.94 176.73 1qga n ALA 92 N 4.89 3.57 -2.81 9.38 0.00 0.27 -3.64 120.51 132.18 1qga n ALA 92 Ca 0.12 -0.48 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 1qga n ALA 92 Cb 0.44 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 1qga n ALA 92 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qga s SER 93 N -2.68 5.58 0.84 0.00 1.04 -1.24 -3.35 113.70 113.89 1qga s SER 93 Ca 0.17 -0.12 -0.12 0.00 0.48 0.00 0.00 55.95 56.37 1qga s SER 93 Cb 0.18 -1.47 0.10 0.00 0.10 0.00 0.00 66.02 64.93 1qga s SER 93 CO 0.63 0.06 1.11 -0.94 0.98 0.00 0.00 173.24 175.08 1qga s SER 94 N -3.16 4.09 0.32 7.02 1.04 -1.26 -4.57 113.70 117.18 1qga s SER 94 Ca 0.31 1.21 0.09 0.00 0.48 0.00 0.00 55.95 58.04 1qga s SER 94 Cb -0.10 -1.89 0.87 0.00 0.10 0.00 0.00 66.02 65.00 1qga s SER 94 CO 0.24 -2.21 1.75 0.00 0.98 0.00 0.00 173.24 173.99 1qga h ALA 95 N -1.26 1.80 0.00 5.32 0.00 -1.87 0.83 119.26 124.08 1qga h ALA 95 Ca -0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1qga h ALA 95 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1qga h ALA 95 CO 0.60 -0.24 0.00 0.44 0.00 0.00 0.00 179.25 180.05 1qga n ILE 96 N -4.82 0.57 -0.41 0.00 -5.35 -1.26 -4.57 119.36 103.52 1qga n ILE 96 Ca 0.26 -0.20 0.06 0.00 -0.27 0.00 0.00 62.75 62.60 1qga n ILE 96 Cb 0.71 -0.65 -0.01 0.00 -1.74 0.00 0.00 39.64 37.94 1qga n ILE 96 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qga n GLY 97 N 1.17 -1.54 0.12 3.28 0.00 0.29 -1.25 105.19 107.25 1qga n GLY 97 Ca 0.05 -1.43 0.11 0.00 0.00 0.00 0.00 46.02 44.75 1qga n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qga n ASP 98 N -2.07 0.53 -0.50 1.61 9.92 -1.26 -2.52 116.55 122.26 1qga n ASP 98 Ca 0.00 0.66 0.07 0.00 -0.53 0.00 0.00 54.79 54.98 1qga n ASP 98 Cb 0.19 -0.76 0.05 0.00 -0.64 0.00 0.00 41.12 39.96 1qga n ASP 98 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1qga n PHE 99 N -2.12 0.00 -0.98 1.24 3.01 -1.26 -5.01 117.46 112.34 1qga n PHE 99 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1qga n PHE 99 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1qga n PHE 99 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qga n GLY 100 N 0.76 0.28 0.65 1.37 0.00 -1.05 -4.87 105.19 102.33 1qga n GLY 100 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1qga n GLY 100 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qga n ASP 101 N -0.45 2.46 -1.37 1.61 5.68 -1.14 -4.95 116.55 118.39 1qga n ASP 101 Ca 0.00 -1.70 -0.16 0.00 -0.50 0.00 0.00 54.79 52.42 1qga n ASP 101 Cb 0.22 -0.08 -0.06 0.00 -1.14 0.00 0.00 41.12 40.07 1qga n ASP 101 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1qga n SER 102 N 0.82 -4.95 -0.05 -1.12 7.64 -0.38 -4.91 113.62 110.66 1qga n SER 102 Ca 0.10 0.32 0.05 0.00 1.01 0.00 0.00 58.87 60.35 1qga n SER 102 Cb 0.39 -3.93 0.07 0.00 -1.01 0.00 0.00 64.21 59.73 1qga n SER 102 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1qga n LYS 103 N -2.53 1.99 -4.20 1.43 5.02 -1.26 -4.01 118.16 114.59 1qga n LYS 103 Ca -0.17 -1.96 -0.13 0.00 -2.02 0.00 0.00 58.31 54.04 1qga n LYS 103 Cb 0.56 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 34.27 1qga n LYS 103 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qga s THR 104 N -1.81 0.00 -0.11 -0.18 -4.23 -1.26 0.11 115.64 108.15 1qga s THR 104 Ca 0.15 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.57 1qga s THR 104 Cb 0.13 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.51 1qga s THR 104 CO 0.01 0.00 0.30 0.54 -0.54 0.00 0.00 174.62 174.93 1qga s VAL 105 N -4.09 0.00 0.07 2.29 0.11 -0.55 -4.70 120.40 113.53 1qga s VAL 105 Ca 0.39 -0.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.51 1qga s VAL 105 Cb 0.06 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1qga s VAL 105 CO 0.13 -0.01 -0.22 -0.44 -3.33 0.00 0.00 175.10 171.24 1qga s SER 106 N 0.11 3.57 0.16 3.54 0.01 -1.26 -0.22 113.70 119.61 1qga s SER 106 Ca -0.00 -0.55 0.07 0.00 1.31 0.00 0.00 55.95 56.78 1qga s SER 106 Cb -0.02 -0.45 -0.04 0.00 0.21 0.00 0.00 66.02 65.72 1qga s SER 106 CO 0.01 0.23 -0.15 -0.76 0.41 0.00 0.00 173.24 172.98 1qga s LEU 107 N -1.60 2.48 -0.27 2.44 1.43 -0.38 -0.57 118.68 122.21 1qga s LEU 107 Ca 0.14 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.34 1qga s LEU 107 Cb -0.10 -0.62 0.08 0.00 0.03 0.00 0.00 46.19 45.57 1qga s LEU 107 CO 0.05 -0.15 0.01 0.00 0.23 0.00 0.00 176.35 176.48 1qga s VAL 109 N 1.38 2.29 -0.17 0.00 1.01 -0.10 -4.93 120.40 119.87 1qga s VAL 109 Ca 0.01 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 1qga s VAL 109 Cb -0.18 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1qga s VAL 109 CO -0.11 0.48 0.95 -0.75 0.00 0.00 0.00 175.10 175.67 1qga s LYS 110 N 1.31 4.32 -0.33 2.72 2.47 -1.26 -0.84 119.74 128.12 1qga s LYS 110 Ca 0.04 1.23 -0.29 0.00 -1.56 0.00 0.00 55.97 55.40 1qga s LYS 110 Cb -0.14 -3.59 -0.01 0.00 -1.46 0.00 0.00 37.83 32.64 1qga s LYS 110 CO -0.11 -0.42 1.63 0.50 0.16 0.00 0.00 175.35 177.11 1qga s ARG 111 N 2.44 3.52 -0.33 4.03 3.52 0.28 -4.82 118.95 127.59 1qga s ARG 111 Ca 0.43 1.31 -0.28 0.00 -0.13 0.00 0.00 55.73 57.06 1qga s ARG 111 Cb -0.17 -4.10 0.02 0.00 -1.56 0.00 0.00 34.95 29.14 1qga s ARG 111 CO 0.12 -1.63 1.05 -1.17 -0.81 0.00 0.00 175.30 172.86 1qga s LEU 112 N 6.03 3.93 -0.03 -0.88 2.96 -1.26 -4.64 118.68 124.79 1qga s LEU 112 Ca 0.72 0.95 -0.00 0.00 -0.22 0.00 0.00 54.13 55.58 1qga s LEU 112 Cb -0.20 -3.49 0.03 0.00 0.50 0.00 0.00 46.19 43.03 1qga s LEU 112 CO 0.32 -0.89 0.02 -0.69 -1.32 0.00 0.00 176.35 173.80 1qga s VAL 113 N 3.65 0.05 0.37 1.68 1.01 -1.26 -0.33 120.40 125.55 1qga s VAL 113 Ca 0.44 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 1qga s VAL 113 Cb -0.12 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.11 1qga s VAL 113 CO 0.16 0.13 0.62 0.00 0.00 0.00 0.00 175.10 176.01 1qga n TYR 114 N 4.33 -1.86 -4.06 5.22 0.18 -0.44 -4.99 117.16 115.55 1qga n TYR 114 Ca -0.24 -2.11 -0.26 0.00 1.88 0.00 0.00 57.90 57.18 1qga n TYR 114 Cb 0.50 0.71 -0.17 0.00 -0.38 0.00 0.00 39.34 40.01 1qga n TYR 114 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1qga s THR 115 N -2.50 0.98 1.14 -3.48 -1.32 -1.26 0.23 115.64 109.43 1qga s THR 115 Ca 0.23 -0.29 -0.15 0.00 -1.21 0.00 0.00 61.69 60.26 1qga s THR 115 Cb -0.03 -0.98 0.26 0.00 -1.51 0.00 0.00 72.50 70.24 1qga s THR 115 CO 0.17 0.35 1.07 0.54 -2.21 0.00 0.00 174.62 174.53 1qga s ASN 116 N 1.45 1.40 0.28 8.08 2.20 -0.39 -4.81 114.94 123.15 1qga s ASN 116 Ca -0.00 1.05 0.03 0.00 -0.94 0.00 0.00 52.86 52.99 1qga s ASN 116 Cb -0.13 -1.60 0.64 0.00 -2.00 0.00 0.00 41.25 38.16 1qga s ASN 116 CO -0.05 -3.87 1.77 0.44 -2.94 0.00 0.00 177.10 172.44 1qga h ASP 117 N -2.40 0.64 0.00 3.54 3.32 -2.01 0.25 116.42 119.76 1qga h ASP 117 Ca -0.53 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1qga h ASP 117 Cb 1.33 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1qga h ASP 117 CO 0.47 0.24 0.02 0.00 -1.72 0.00 0.00 179.24 178.25 1qga n ALA 118 N -2.38 1.02 -0.77 3.45 0.00 -1.26 -4.79 120.51 115.78 1qga n ALA 118 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1qga n ALA 118 Cb 0.51 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1qga n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qga n GLY 119 N -1.40 0.77 3.73 0.00 0.00 0.88 -5.05 105.19 104.11 1qga n GLY 119 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1qga n GLY 119 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qga s GLU 120 N -0.23 4.51 -0.05 1.61 2.02 -1.25 -4.79 118.70 120.51 1qga s GLU 120 Ca 0.00 1.11 -0.30 0.00 0.02 0.00 0.00 54.97 55.81 1qga s GLU 120 Cb 0.00 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.77 1qga s GLU 120 CO 0.00 0.14 1.47 0.08 0.02 0.00 0.00 175.26 176.97 1qga s VAL 121 N 0.42 3.76 -0.07 2.63 1.01 -1.26 -1.26 120.40 125.62 1qga s VAL 121 Ca 0.42 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.44 1qga s VAL 121 Cb -0.20 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1qga s VAL 121 CO 0.23 -0.05 -0.07 -0.69 0.00 0.00 0.00 175.10 174.52 1qga s VAL 122 N 3.19 3.66 -0.19 2.92 1.01 0.64 -4.93 120.40 126.69 1qga s VAL 122 Ca 0.66 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 1qga s VAL 122 Cb -0.30 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1qga s VAL 122 CO 0.25 0.59 -0.05 -0.54 0.00 0.00 0.00 175.10 175.35 1qga s LYS 123 N -0.70 3.46 0.43 2.72 1.02 -1.26 -1.33 119.74 124.08 1qga s LYS 123 Ca 0.11 -0.60 -0.26 0.00 0.02 0.00 0.00 55.97 55.24 1qga s LYS 123 Cb -0.11 -2.95 -0.09 0.00 -0.52 0.00 0.00 37.83 34.16 1qga s LYS 123 CO 0.02 -0.04 1.35 0.41 -0.92 0.00 0.00 175.35 176.17 1qga n GLY 124 N 4.32 0.78 0.32 -3.33 0.00 0.55 -4.94 105.19 102.90 1qga n GLY 124 Ca -0.18 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1qga n GLY 124 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1qga h VAL 125 N 2.24 0.00 -0.51 1.61 2.07 -1.98 -2.97 116.25 116.70 1qga h VAL 125 Ca -0.49 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 1qga h VAL 125 Cb 1.28 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1qga h VAL 125 CO 0.61 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 178.14 1qga h SER 127 N 0.81 1.06 0.74 0.00 4.64 -1.88 0.15 113.55 119.07 1qga h SER 127 Ca 0.14 -0.23 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 1qga h SER 127 Cb 0.60 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1qga h SER 127 CO 0.04 1.02 -0.76 0.78 -0.87 0.00 0.00 176.83 177.04 1qga h ASN 128 N 1.06 0.02 -0.09 4.97 2.35 -1.53 -1.57 115.58 120.79 1qga h ASN 128 Ca 0.22 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1qga h ASN 128 Cb 0.38 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1qga h ASN 128 CO 0.00 0.77 0.01 0.15 -1.65 0.00 0.00 177.43 176.71 1qga h PHE 129 N 0.01 0.17 -0.26 1.19 3.57 -1.02 -2.53 116.94 118.07 1qga h PHE 129 Ca -0.01 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1qga h PHE 129 Cb 1.34 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1qga h PHE 129 CO 0.00 0.40 0.12 -0.07 -2.23 0.00 0.00 178.31 176.52 1qga h LEU 130 N -0.11 0.35 -1.52 0.59 3.38 -0.93 -1.99 115.31 115.08 1qga h LEU 130 Ca 0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1qga h LEU 130 Cb 0.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1qga h LEU 130 CO 0.00 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1qga n ASP 132 N -2.82 1.40 -4.71 0.00 8.00 -0.96 -4.95 116.55 112.52 1qga n ASP 132 Ca 0.00 -1.12 -0.43 0.00 0.71 0.00 0.00 54.79 53.96 1qga n ASP 132 Cb 0.23 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 1qga n ASP 132 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1qga n LEU 133 N -0.62 3.83 -4.84 0.64 4.77 -0.51 -5.00 117.00 115.27 1qga n LEU 133 Ca 0.09 1.11 -0.35 0.00 -0.03 0.00 0.00 56.01 56.83 1qga n LEU 133 Cb 0.40 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 1qga n LEU 133 CO 0.31 -0.03 -0.20 -0.54 -1.33 0.00 0.00 177.39 175.61 1qga s LYS 134 N 0.20 3.32 0.16 3.23 1.02 -1.26 -4.81 119.74 121.60 1qga s LYS 134 Ca 0.70 -0.26 -0.34 0.00 0.02 0.00 0.00 55.97 56.09 1qga s LYS 134 Cb -0.56 -3.07 -0.14 0.00 -0.52 0.00 0.00 37.83 33.54 1qga s LYS 134 CO 0.42 0.73 1.47 -2.30 -0.92 0.00 0.00 175.35 174.76 1qga n PRO 135 N 1.65 1.86 0.00 -1.68 -0.02 -1.26 -1.96 135.00 133.59 1qga n PRO 135 Ca -0.17 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1qga n PRO 135 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1qga n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qga n GLY 136 N 2.92 2.09 3.84 -1.23 0.00 0.21 -4.96 105.19 108.06 1qga n GLY 136 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1qga n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qga s SER 137 N -0.39 6.78 0.54 1.61 0.01 -0.83 -4.67 113.70 116.75 1qga s SER 137 Ca 0.00 1.50 -0.13 0.00 1.31 0.00 0.00 55.95 58.63 1qga s SER 137 Cb 0.00 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.70 1qga s SER 137 CO 0.00 -0.39 0.97 -1.61 0.41 0.00 0.00 173.24 172.62 1qga s GLU 138 N -3.44 3.79 -0.06 12.44 2.02 -1.26 -1.44 118.70 130.76 1qga s GLU 138 Ca 0.58 0.79 -0.04 0.00 0.02 0.00 0.00 54.97 56.33 1qga s GLU 138 Cb -0.10 -2.16 0.03 0.00 0.10 0.00 0.00 34.13 32.00 1qga s GLU 138 CO 0.21 -0.34 0.14 0.54 0.02 0.00 0.00 175.26 175.83 1qga s VAL 139 N -2.79 -0.03 -0.30 2.63 0.11 -0.75 -4.92 120.40 114.35 1qga s VAL 139 Ca 0.56 0.09 -0.21 0.00 -2.93 0.00 0.00 61.98 59.49 1qga s VAL 139 Cb -0.10 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.52 1qga s VAL 139 CO 0.40 0.04 0.66 -0.54 -3.33 0.00 0.00 175.10 172.33 1qga s LYS 140 N 0.64 3.94 -0.08 1.54 1.02 -1.26 -1.86 119.74 123.68 1qga s LYS 140 Ca -0.05 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1qga s LYS 140 Cb -0.06 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 1qga s LYS 140 CO -0.03 -0.57 -0.07 0.42 -0.92 0.00 0.00 175.35 174.17 1qga s ILE 141 N 2.67 3.66 0.43 2.17 1.01 0.48 -1.80 121.20 129.83 1qga s ILE 141 Ca 0.27 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1qga s ILE 141 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1qga s ILE 141 CO 0.11 0.59 0.03 0.42 0.00 0.00 0.00 174.94 176.09 1qga s THR 142 N -0.64 1.35 0.00 2.92 -4.23 -0.77 -0.79 115.64 113.48 1qga s THR 142 Ca 0.10 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1qga s THR 142 Cb -0.11 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1qga s THR 142 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1qga n GLY 143 N -1.03 -0.07 3.35 3.99 0.00 -0.10 -1.73 105.19 109.60 1qga n GLY 143 Ca -0.10 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 1qga n GLY 143 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qga n PRO 144 N 0.26 -3.17 -3.81 1.61 -0.02 -1.26 -1.15 135.00 127.46 1qga n PRO 144 Ca 0.00 -0.92 -0.12 0.00 -2.02 0.00 0.00 63.50 60.44 1qga n PRO 144 Cb 0.00 -2.00 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 1qga n PRO 144 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qga s VAL 145 N -2.28 0.06 0.00 -1.45 0.11 -0.52 0.49 120.40 116.81 1qga s VAL 145 Ca 0.65 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 1qga s VAL 145 Cb -0.20 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1qga s VAL 145 CO 0.62 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 1qga n GLY 146 N 1.71 2.02 0.00 6.54 0.00 -1.26 -1.13 105.19 113.06 1qga n GLY 146 Ca -0.20 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1qga n GLY 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qga n LYS 147 N 1.92 0.00 0.09 1.61 5.02 -1.26 -4.75 118.16 120.80 1qga n LYS 147 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1qga n LYS 147 Cb 0.00 -0.11 0.25 0.00 -0.02 0.00 0.00 35.03 35.16 1qga n LYS 147 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1qga h GLU 148 N 0.00 0.25 -0.59 1.97 4.57 -1.95 -3.26 114.58 115.56 1qga h GLU 148 Ca 0.00 -0.10 -0.37 0.00 -1.18 0.00 0.00 59.36 57.71 1qga h GLU 148 Cb 0.12 -0.01 -0.22 0.00 -0.16 0.00 0.00 28.75 28.48 1qga h GLU 148 CO 0.00 0.57 -0.01 -1.33 -1.18 0.00 0.00 179.01 177.06 1qga n MET 149 N -4.08 2.36 -2.49 1.92 0.00 -1.26 -4.75 117.12 108.82 1qga n MET 149 Ca -0.01 -3.39 -0.38 0.00 0.00 0.00 0.00 57.70 53.92 1qga n MET 149 Cb 0.43 -2.02 -0.04 0.00 0.00 0.00 0.00 33.22 31.60 1qga n MET 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1qga s LEU 150 N -3.42 4.24 0.53 4.03 1.43 -1.23 -4.04 118.68 120.21 1qga s LEU 150 Ca 0.50 2.14 -0.21 0.00 -1.03 0.00 0.00 54.13 55.53 1qga s LEU 150 Cb 0.43 -4.03 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 1qga s LEU 150 CO 0.01 -0.45 1.21 -0.04 0.23 0.00 0.00 176.35 177.32 1qga s MET 151 N -2.22 3.34 0.33 1.70 -1.94 -1.26 -4.70 119.30 114.55 1qga s MET 151 Ca 0.55 1.86 -0.28 0.00 -1.71 0.00 0.00 55.69 56.11 1qga s MET 151 Cb -0.26 -2.18 -0.09 0.00 2.01 0.00 0.00 34.83 34.31 1qga s MET 151 CO 0.32 -0.92 1.16 -1.25 -0.01 0.00 0.00 175.02 174.33 1qga s PRO 152 N -3.01 4.38 0.19 2.03 0.04 -1.26 0.44 135.00 137.80 1qga s PRO 152 Ca 0.71 1.88 -0.12 0.00 0.04 0.00 0.00 61.00 63.51 1qga s PRO 152 Cb -0.31 -2.97 0.16 0.00 0.04 0.00 0.00 34.50 31.42 1qga s PRO 152 CO 0.36 -0.05 1.81 0.87 0.04 0.00 0.00 177.00 180.03 1qga h LYS 153 N 3.29 0.63 -5.93 4.56 1.57 -0.64 -3.43 116.57 116.62 1qga h LYS 153 Ca -0.48 -0.04 -0.63 0.00 -1.87 0.00 0.00 60.65 57.63 1qga h LYS 153 Cb 1.22 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1qga h LYS 153 CO 0.65 0.41 1.47 -3.47 -0.57 0.00 0.00 179.45 177.94 1qga n ASP 154 N -4.79 2.35 0.00 0.86 -0.08 -1.26 -4.85 116.55 108.77 1qga n ASP 154 Ca 0.06 0.28 0.11 0.00 -1.51 0.00 0.00 54.79 53.73 1qga n ASP 154 Cb 0.12 -1.34 0.61 0.00 2.34 0.00 0.00 41.12 42.84 1qga n ASP 154 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1qga n PRO 155 N 8.41 0.60 -0.09 -0.67 -0.04 -1.26 -2.49 135.00 139.46 1qga n PRO 155 Ca 0.39 0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 1qga n PRO 155 Cb 0.30 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.33 1qga n PRO 155 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qga n ASN 156 N -1.05 2.40 -4.81 3.54 5.03 -1.26 0.41 115.26 119.52 1qga n ASN 156 Ca 0.15 -1.93 -0.31 0.00 0.87 0.00 0.00 54.58 53.36 1qga n ASN 156 Cb 0.09 -0.11 0.06 0.00 -1.02 0.00 0.00 39.78 38.79 1qga n ASN 156 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qga s ALA 157 N -0.95 2.61 -0.20 5.41 0.00 -1.04 -4.16 121.76 123.43 1qga s ALA 157 Ca 0.12 0.13 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 1qga s ALA 157 Cb 0.06 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1qga s ALA 157 CO 0.08 -1.31 0.30 0.99 0.00 0.00 0.00 175.76 175.83 1qga s THR 158 N -3.00 5.28 -0.30 0.00 2.01 -0.31 -2.50 115.64 116.82 1qga s THR 158 Ca 0.59 0.53 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1qga s THR 158 Cb -0.15 -3.64 0.06 0.00 0.01 0.00 0.00 72.50 68.79 1qga s THR 158 CO 0.54 0.32 -0.01 -0.69 -0.69 0.00 0.00 174.62 174.10 1qga s VAL 159 N 0.94 2.71 -0.20 3.82 1.01 0.57 -0.45 120.40 128.80 1qga s VAL 159 Ca 0.15 -1.60 -0.14 0.00 0.00 0.00 0.00 61.98 60.39 1qga s VAL 159 Cb -0.14 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1qga s VAL 159 CO 0.05 -0.18 0.31 -0.63 0.00 0.00 0.00 175.10 174.66 1qga s ILE 160 N 1.17 5.26 -0.19 2.22 1.01 -0.64 -1.30 121.20 128.73 1qga s ILE 160 Ca -0.04 0.54 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 1qga s ILE 160 Cb -0.20 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1qga s ILE 160 CO -0.03 0.30 -0.14 -0.04 0.00 0.00 0.00 174.94 175.03 1qga s MET 161 N 1.07 3.15 -0.28 2.79 -1.94 0.10 -0.45 119.30 123.74 1qga s MET 161 Ca 0.15 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.40 1qga s MET 161 Cb -0.14 -2.74 0.06 0.00 2.01 0.00 0.00 34.83 34.02 1qga s MET 161 CO 0.06 -0.19 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.32 1qga s LEU 162 N 1.32 3.75 0.06 -0.03 1.43 0.41 -0.85 118.68 124.77 1qga s LEU 162 Ca 0.04 -1.44 0.02 0.00 -1.03 0.00 0.00 54.13 51.72 1qga s LEU 162 Cb -0.14 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1qga s LEU 162 CO -0.08 -0.24 -0.06 -0.83 0.23 0.00 0.00 176.35 175.36 1qga s GLY 163 N 1.16 0.59 -0.05 -3.19 0.00 -0.56 -1.39 107.32 103.88 1qga s GLY 163 Ca -0.06 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 43.68 1qga s GLY 163 CO -0.04 -1.11 -0.19 -0.51 0.00 0.00 0.00 173.10 171.25 1qga s THR 164 N -2.54 1.58 0.00 0.90 -4.23 -0.97 -1.59 115.64 108.78 1qga s THR 164 Ca 0.00 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1qga s THR 164 Cb -0.02 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1qga s THR 164 CO -0.03 0.45 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 1qga n GLY 165 N 3.11 3.10 0.00 3.99 0.00 -0.16 -0.83 105.19 114.41 1qga n GLY 165 Ca -0.18 0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1qga n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qga n THR 166 N 0.00 1.10 0.55 2.61 -2.24 -1.26 -2.19 114.28 112.84 1qga n THR 166 Ca 0.00 0.27 0.06 0.00 -2.27 0.00 0.00 64.05 62.11 1qga n THR 166 Cb 0.00 -1.12 0.29 0.00 -2.10 0.00 0.00 70.33 67.40 1qga n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qga n GLY 167 N -0.53 -0.62 0.20 3.38 0.00 -0.01 -1.89 105.19 105.71 1qga n GLY 167 Ca 0.03 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1qga n GLY 167 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qga h ILE 168 N 0.00 0.81 -0.79 -0.61 6.09 -1.62 -3.38 117.51 118.02 1qga h ILE 168 Ca 0.00 -1.35 0.11 0.00 -1.37 0.00 0.00 64.86 62.26 1qga h ILE 168 Cb 0.09 1.84 -0.13 0.00 0.47 0.00 0.00 36.82 39.09 1qga h ILE 168 CO 0.00 0.32 -0.43 0.00 -3.07 0.00 0.00 178.15 174.97 1qga h ALA 169 N 1.68 -0.14 0.00 0.18 0.00 -1.65 0.52 119.26 119.85 1qga h ALA 169 Ca -0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1qga h ALA 169 Cb 0.81 1.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1qga h ALA 169 CO 0.04 -0.75 -0.05 -1.00 0.00 0.00 0.00 179.25 177.49 1qga h PRO 170 N -0.10 0.00 0.00 0.00 0.13 -1.73 -2.46 132.00 127.84 1qga h PRO 170 Ca 0.25 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.21 1qga h PRO 170 Cb 0.55 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 1qga h PRO 170 CO -0.83 0.05 -0.76 0.74 -0.23 0.00 0.00 178.00 176.97 1qga h PHE 171 N 0.00 0.00 -0.19 1.56 0.04 -1.18 -2.30 116.94 114.87 1qga h PHE 171 Ca -0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1qga h PHE 171 Cb 0.54 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1qga h PHE 171 CO 0.00 0.76 -0.31 -0.09 -0.60 0.00 0.00 178.31 178.07 1qga h ARG 172 N 0.00 0.37 0.16 1.51 2.43 -0.70 -2.24 114.38 115.91 1qga h ARG 172 Ca -0.01 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1qga h ARG 172 Cb 1.44 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1qga h ARG 172 CO 0.10 0.65 -0.08 1.03 -1.51 0.00 0.00 179.97 180.16 1qga h SER 173 N 0.32 -0.18 -0.24 -3.80 0.87 -1.30 -1.60 113.55 107.63 1qga h SER 173 Ca 0.04 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 1qga h SER 173 Cb 0.72 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.69 1qga h SER 173 CO 0.05 0.06 0.01 -0.26 -0.53 0.00 0.00 176.83 176.16 1qga h PHE 174 N -0.42 0.00 -0.54 2.24 -1.00 -1.37 -2.91 116.94 112.95 1qga h PHE 174 Ca -0.02 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1qga h PHE 174 Cb 0.33 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.90 1qga h PHE 174 CO -0.00 -0.03 -0.06 -0.07 -1.61 0.00 0.00 178.31 176.54 1qga h LEU 175 N 0.08 0.96 -0.33 1.54 3.38 -1.41 -0.60 115.31 118.93 1qga h LEU 175 Ca 0.11 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1qga h LEU 175 Cb 0.14 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1qga h LEU 175 CO -0.18 1.05 0.21 -0.50 0.09 0.00 0.00 178.44 179.10 1qga h TRP 176 N 0.88 0.40 -0.84 1.13 4.06 -1.22 0.29 115.95 120.64 1qga h TRP 176 Ca 0.15 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.10 1qga h TRP 176 Cb 0.60 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.59 1qga h TRP 176 CO 0.04 0.25 0.48 -0.22 -3.56 0.00 0.00 178.44 175.43 1qga h LYS 177 N 0.43 1.15 -0.09 0.49 3.64 -1.33 0.03 116.57 120.89 1qga h LYS 177 Ca 0.12 -0.12 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1qga h LYS 177 Cb -0.04 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1qga h LYS 177 CO -0.04 0.83 -0.86 0.52 -2.27 0.00 0.00 179.45 177.63 1qga h MET 178 N 1.16 0.74 0.00 1.90 2.86 -0.73 -3.38 114.93 117.48 1qga h MET 178 Ca 0.30 -0.67 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1qga h MET 178 Cb -0.01 0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1qga h MET 178 CO -0.05 1.27 -0.52 1.19 1.06 0.00 0.00 176.91 179.86 1qga n PHE 179 N -3.94 0.00 0.71 -0.22 3.72 0.97 -4.50 117.46 114.20 1qga n PHE 179 Ca -0.09 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.39 1qga n PHE 179 Cb 0.79 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.34 1qga n PHE 179 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1qga n PHE 180 N -1.23 0.00 -4.24 1.38 3.72 -0.06 -5.00 117.46 112.03 1qga n PHE 180 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1qga n PHE 180 Cb 0.00 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 1qga n PHE 180 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1qga s GLU 181 N -1.79 0.60 -0.49 -1.08 2.02 -0.88 -4.99 118.70 112.08 1qga s GLU 181 Ca 0.14 -0.37 -0.15 0.00 0.02 0.00 0.00 54.97 54.61 1qga s GLU 181 Cb 0.13 -0.55 0.09 0.00 0.10 0.00 0.00 34.13 33.90 1qga s GLU 181 CO 0.37 0.14 0.42 0.21 0.02 0.00 0.00 175.26 176.42 1qga s LYS 182 N -0.46 2.96 -0.18 1.61 2.47 -1.26 -4.76 119.74 120.12 1qga s LYS 182 Ca 0.01 -1.47 -0.05 0.00 -1.56 0.00 0.00 55.97 52.91 1qga s LYS 182 Cb -0.04 -4.17 -0.03 0.00 -1.46 0.00 0.00 37.83 32.13 1qga s LYS 182 CO -0.00 -1.12 -0.01 -1.01 0.16 0.00 0.00 175.35 173.37 1qga s HIS 183 N 1.62 3.04 0.18 4.03 3.76 -1.21 -5.00 115.29 121.71 1qga s HIS 183 Ca 0.04 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.45 1qga s HIS 183 Cb -0.26 -2.03 0.13 0.00 1.11 0.00 0.00 32.58 31.54 1qga s HIS 183 CO 0.05 -0.13 1.76 1.49 -0.85 0.00 0.00 174.74 177.06 1qga h GLU 184 N 7.10 0.36 -0.00 1.40 4.81 -2.03 -2.60 114.58 123.62 1qga h GLU 184 Ca -0.34 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1qga h GLU 184 Cb 1.18 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1qga h GLU 184 CO 0.62 0.24 -0.23 -0.40 -0.73 0.00 0.00 179.01 178.52 1qga n ASP 185 N -4.97 0.64 -3.39 1.04 5.75 -1.26 -4.68 116.55 109.68 1qga n ASP 185 Ca 0.04 -0.55 -0.15 0.00 -0.01 0.00 0.00 54.79 54.12 1qga n ASP 185 Cb 0.16 0.03 -0.09 0.00 -1.03 0.00 0.00 41.12 40.19 1qga n ASP 185 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1qga s TYR 186 N -2.62 -0.56 -0.21 2.11 6.14 -0.98 -5.06 117.35 116.16 1qga s TYR 186 Ca 0.23 -0.01 -0.00 0.00 0.64 0.00 0.00 57.07 57.92 1qga s TYR 186 Cb 0.19 -0.38 0.02 0.00 0.42 0.00 0.00 41.96 42.22 1qga s TYR 186 CO 0.54 -0.90 -0.13 -0.65 0.64 0.00 0.00 175.55 175.04 1qga s GLN 187 N 2.40 2.91 0.12 4.97 -1.52 -1.24 -3.30 119.66 124.00 1qga s GLN 187 Ca 0.09 -0.90 -0.30 0.00 -1.95 0.00 0.00 55.36 52.30 1qga s GLN 187 Cb -0.14 -2.78 -0.06 0.00 -0.22 0.00 0.00 33.01 29.81 1qga s GLN 187 CO -0.30 -0.30 1.05 0.12 -0.25 0.00 0.00 175.29 175.60 1qga s PHE 188 N 1.30 3.66 0.00 0.91 5.36 -1.26 -4.81 117.98 123.15 1qga s PHE 188 Ca 0.02 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 1qga s PHE 188 Cb -0.15 -3.20 0.00 0.00 -0.34 0.00 0.00 43.02 39.33 1qga s PHE 188 CO -0.08 -0.33 0.80 -1.71 -1.46 0.00 0.00 175.22 172.44 1qga n ASN 189 N 2.90 0.00 -1.59 6.13 2.85 0.16 -5.03 115.26 120.69 1qga n ASN 189 Ca 0.04 -1.61 0.00 0.00 -0.11 0.00 0.00 54.58 52.90 1qga n ASN 189 Cb 0.48 -0.12 0.00 0.00 1.24 0.00 0.00 39.78 41.38 1qga n ASN 189 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qga n GLY 190 N 0.00 1.26 3.27 8.20 0.00 -1.08 -4.80 105.19 112.04 1qga n GLY 190 Ca 0.00 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 1qga n GLY 190 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qga s LEU 191 N 0.00 2.54 -0.34 0.99 2.96 -1.04 -4.79 118.68 118.99 1qga s LEU 191 Ca 0.00 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.37 1qga s LEU 191 Cb 0.00 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.13 1qga s LEU 191 CO 0.00 0.07 0.14 0.00 -1.32 0.00 0.00 176.35 175.24 1qga s ALA 192 N 0.91 3.16 -0.26 5.97 0.00 -0.70 -0.31 121.76 130.52 1qga s ALA 192 Ca -0.03 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.28 1qga s ALA 192 Cb -0.15 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.63 1qga s ALA 192 CO -0.01 -1.23 -0.06 -0.46 0.00 0.00 0.00 175.76 174.00 1qga s TRP 193 N 1.50 3.15 -0.18 0.00 -0.11 -0.42 -1.66 118.94 121.22 1qga s TRP 193 Ca 0.01 -1.81 -0.06 0.00 1.22 0.00 0.00 56.10 55.45 1qga s TRP 193 Cb -0.19 -2.04 -0.04 0.00 -1.50 0.00 0.00 33.47 29.70 1qga s TRP 193 CO 0.04 -0.79 0.04 -1.17 -4.62 0.00 0.00 176.95 170.46 1qga s LEU 194 N 1.26 3.64 -0.17 5.86 2.96 -0.08 -0.73 118.68 131.42 1qga s LEU 194 Ca -0.03 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1qga s LEU 194 Cb -0.18 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.61 1qga s LEU 194 CO -0.04 0.15 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.59 1qga s PHE 195 N 0.49 2.76 -0.06 5.38 0.40 -0.03 -0.02 117.98 126.90 1qga s PHE 195 Ca 0.01 -1.50 0.02 0.00 -0.60 0.00 0.00 56.93 54.87 1qga s PHE 195 Cb -0.13 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.51 1qga s PHE 195 CO 0.01 -0.73 -0.11 -1.17 0.70 0.00 0.00 175.22 173.93 1qga s LEU 196 N 1.15 1.59 -0.16 -0.37 2.96 -0.56 -1.50 118.68 121.79 1qga s LEU 196 Ca 0.01 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1qga s LEU 196 Cb -0.14 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.75 1qga s LEU 196 CO -0.09 0.02 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.11 1qga s GLY 197 N 0.73 1.75 0.09 7.98 0.00 -0.62 -0.50 107.32 116.74 1qga s GLY 197 Ca -0.14 -0.81 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 1qga s GLY 197 CO 0.03 -0.05 0.13 -1.34 0.00 0.00 0.00 173.10 171.87 1qga s VAL 198 N 0.36 0.15 0.23 1.40 -7.23 -1.00 -0.98 120.40 113.34 1qga s VAL 198 Ca -0.03 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 58.73 1qga s VAL 198 Cb -0.14 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1qga s VAL 198 CO 0.03 -0.69 1.55 1.55 -0.31 0.00 0.00 175.10 177.23 1qga h PRO 199 N 2.85 0.25 -4.31 4.82 0.13 -1.88 -2.64 132.00 131.21 1qga h PRO 199 Ca -0.34 -0.17 -0.18 0.00 -0.87 0.00 0.00 66.00 64.44 1qga h PRO 199 Cb 1.19 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1qga h PRO 199 CO 0.58 0.78 -0.50 0.95 -0.23 0.00 0.00 178.00 179.58 1qga s THR 200 N -3.76 0.03 0.34 1.56 -4.23 -1.26 -1.19 115.64 107.13 1qga s THR 200 Ca -0.04 -1.81 0.11 0.00 -1.18 0.00 0.00 61.69 58.77 1qga s THR 200 Cb 0.12 -2.29 0.06 0.00 1.34 0.00 0.00 72.50 71.73 1qga s THR 200 CO 0.80 -0.11 1.77 0.28 -0.54 0.00 0.00 174.62 176.81 1qga h SER 201 N 2.59 0.07 0.56 3.99 0.02 -1.96 -2.22 113.55 116.59 1qga h SER 201 Ca -0.33 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1qga h SER 201 Cb 1.24 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1qga h SER 201 CO 0.50 0.47 0.00 -1.54 -1.14 0.00 0.00 176.83 175.13 1qga n SER 202 N -4.04 0.38 -0.96 3.07 3.41 -1.26 -2.19 113.62 112.02 1qga n SER 202 Ca -0.02 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1qga n SER 202 Cb 0.45 -0.68 0.11 0.00 -0.26 0.00 0.00 64.21 63.83 1qga n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qga n SER 203 N -1.93 3.02 -4.62 4.04 7.64 -0.84 -0.09 113.62 120.84 1qga n SER 203 Ca 0.02 -1.98 -0.43 0.00 1.01 0.00 0.00 58.87 57.49 1qga n SER 203 Cb 0.18 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 1qga n SER 203 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qga s LEU 204 N -1.90 3.82 -0.14 -3.43 1.43 -0.93 -4.84 118.68 112.68 1qga s LEU 204 Ca 0.29 1.49 -0.25 0.00 -1.03 0.00 0.00 54.13 54.63 1qga s LEU 204 Cb 0.20 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 1qga s LEU 204 CO 0.30 -1.32 0.80 -0.76 0.23 0.00 0.00 176.35 175.60 1qga s LEU 205 N 5.37 4.21 -1.87 1.79 1.43 -1.26 -4.12 118.68 124.24 1qga s LEU 205 Ca 0.71 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1qga s LEU 205 Cb -0.23 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1qga s LEU 205 CO 0.30 -0.32 0.00 -1.22 0.23 0.00 0.00 176.35 175.33 1qga n TYR 206 N 4.84 -0.70 -0.17 0.29 4.01 -1.26 -4.89 117.16 119.29 1qga n TYR 206 Ca 0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.73 1qga n TYR 206 Cb 0.49 -3.71 0.03 0.00 -0.31 0.00 0.00 39.34 35.84 1qga n TYR 206 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1qga h LYS 207 N 0.00 -0.09 -0.58 -0.72 3.64 -1.97 -1.18 116.57 115.66 1qga h LYS 207 Ca -0.46 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1qga h LYS 207 Cb 1.34 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.14 1qga h LYS 207 CO 0.58 -0.06 0.34 1.49 -2.27 0.00 0.00 179.45 179.53 1qga h GLU 208 N -0.10 0.64 -0.68 1.90 4.81 -1.93 0.40 114.58 119.62 1qga h GLU 208 Ca 0.25 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1qga h GLU 208 Cb 0.48 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1qga h GLU 208 CO -0.59 0.42 0.41 0.93 -0.73 0.00 0.00 179.01 179.45 1qga h GLU 209 N 0.66 0.93 -0.53 1.92 5.08 -1.74 -1.72 114.58 119.19 1qga h GLU 209 Ca 0.25 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 1qga h GLU 209 Cb 0.08 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1qga h GLU 209 CO -0.13 0.66 -0.09 0.74 -1.00 0.00 0.00 179.01 179.19 1qga h PHE 210 N 0.93 1.08 0.00 4.33 0.04 -0.39 -2.75 116.94 120.19 1qga h PHE 210 Ca 0.25 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1qga h PHE 210 Cb -0.03 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 1qga h PHE 210 CO -0.01 1.01 -0.21 0.93 -0.60 0.00 0.00 178.31 179.42 1qga h GLU 211 N 0.88 0.00 -0.09 1.51 5.08 0.13 -1.76 114.58 120.33 1qga h GLU 211 Ca 0.14 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.27 1qga h GLU 211 Cb 0.64 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.90 1qga h GLU 211 CO 0.04 0.21 -0.87 0.87 -1.00 0.00 0.00 179.01 178.27 1qga h LYS 212 N 0.00 0.71 -0.09 2.33 1.57 -1.07 -2.55 116.57 117.47 1qga h LYS 212 Ca -0.00 -0.64 -0.08 0.00 -1.87 0.00 0.00 60.65 58.06 1qga h LYS 212 Cb 0.50 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1qga h LYS 212 CO 0.03 1.24 -0.28 0.52 -0.57 0.00 0.00 179.45 180.39 1qga h MET 213 N 0.46 0.17 -0.11 3.15 2.86 -1.19 -0.09 114.93 120.18 1qga h MET 213 Ca -0.08 -0.06 -0.20 0.00 -2.06 0.00 0.00 59.70 57.31 1qga h MET 213 Cb 1.50 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.15 1qga h MET 213 CO 0.17 0.45 -0.75 -0.22 1.06 0.00 0.00 176.91 177.62 1qga h LYS 214 N 0.15 0.57 0.00 1.72 1.63 -1.32 0.28 116.57 119.61 1qga h LYS 214 Ca 0.02 -0.46 -0.03 0.00 -0.85 0.00 0.00 60.65 59.33 1qga h LYS 214 Cb 0.59 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1qga h LYS 214 CO 0.04 1.09 -0.14 1.49 -3.45 0.00 0.00 179.45 178.48 1qga h GLU 215 N 0.39 0.00 0.00 1.90 4.81 -1.15 -1.50 114.58 119.03 1qga h GLU 215 Ca -0.04 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1qga h GLU 215 Cb 1.35 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 1qga h GLU 215 CO 0.14 0.14 -1.81 1.63 -0.73 0.00 0.00 179.01 178.37 1qga n LYS 216 N -3.25 0.65 -3.12 1.92 5.02 -0.07 -4.64 118.16 114.67 1qga n LYS 216 Ca 0.01 -0.04 -0.20 0.00 -2.02 0.00 0.00 58.31 56.06 1qga n LYS 216 Cb 0.42 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.77 1qga n LYS 216 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qga n ALA 217 N -2.37 1.71 0.30 7.82 0.00 0.07 -4.97 120.51 123.07 1qga n ALA 217 Ca -0.10 -3.08 0.18 0.00 0.00 0.00 0.00 53.44 50.45 1qga n ALA 217 Cb 0.73 -0.92 0.93 0.00 0.00 0.00 0.00 19.45 20.18 1qga n ALA 217 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qga h PRO 218 N 3.65 0.00 0.00 0.00 0.13 -1.50 -1.93 132.00 132.35 1qga h PRO 218 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1qga h PRO 218 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1qga h PRO 218 CO 0.44 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 179.10 1qga h GLU 219 N 0.00 0.00 -0.46 0.86 4.39 -1.93 -3.41 114.58 114.03 1qga h GLU 219 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qga h GLU 219 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1qga h GLU 219 CO 0.00 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.12 1qga n ASN 220 N -2.44 1.51 -3.92 1.42 6.94 -1.23 -4.68 115.26 112.87 1qga n ASN 220 Ca -0.01 -2.09 -0.27 0.00 -0.02 0.00 0.00 54.58 52.20 1qga n ASN 220 Cb 0.02 -0.29 -0.17 0.00 -2.36 0.00 0.00 39.78 36.98 1qga n ASN 220 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1qga s PHE 221 N -1.64 1.49 -0.06 -2.53 5.36 -0.73 -1.72 117.98 118.15 1qga s PHE 221 Ca 0.14 -0.72 0.04 0.00 -0.96 0.00 0.00 56.93 55.43 1qga s PHE 221 Cb 0.08 -1.22 -0.02 0.00 -0.34 0.00 0.00 43.02 41.53 1qga s PHE 221 CO 0.07 -0.49 -0.19 1.03 -1.46 0.00 0.00 175.22 174.19 1qga s ARG 222 N 1.59 2.59 -0.08 10.12 0.52 -0.67 -4.65 118.95 128.37 1qga s ARG 222 Ca 0.03 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 1qga s ARG 222 Cb -0.13 -2.31 0.02 0.00 0.52 0.00 0.00 34.95 33.05 1qga s ARG 222 CO -0.07 0.49 -0.06 -1.17 0.02 0.00 0.00 175.30 174.51 1qga s LEU 223 N -0.41 1.19 -0.13 2.53 2.96 -1.26 -0.91 118.68 122.66 1qga s LEU 223 Ca 0.04 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1qga s LEU 223 Cb -0.12 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 45.92 1qga s LEU 223 CO 0.02 -0.09 -0.07 -1.81 -1.32 0.00 0.00 176.35 173.08 1qga s ASP 224 N 1.39 2.35 0.14 3.68 1.01 0.98 -5.00 116.67 121.21 1qga s ASP 224 Ca -0.02 -0.40 -0.07 0.00 0.71 0.00 0.00 52.55 52.77 1qga s ASP 224 Cb -0.14 -0.86 -0.06 0.00 1.01 0.00 0.00 42.92 42.87 1qga s ASP 224 CO -0.04 -0.14 0.41 -0.36 0.21 0.00 0.00 175.17 175.26 1qga s PHE 225 N 1.69 3.50 -0.38 4.23 0.08 -1.26 -1.50 117.98 124.34 1qga s PHE 225 Ca 0.04 0.68 0.01 0.00 0.12 0.00 0.00 56.93 57.78 1qga s PHE 225 Cb -0.13 -2.10 0.12 0.00 -0.57 0.00 0.00 43.02 40.34 1qga s PHE 225 CO -0.08 0.43 0.17 0.00 -0.10 0.00 0.00 175.22 175.64 1qga s ALA 226 N -1.60 1.86 -0.75 5.36 0.00 0.35 -4.90 121.76 122.07 1qga s ALA 226 Ca 0.40 -2.16 -0.19 0.00 0.00 0.00 0.00 51.96 50.01 1qga s ALA 226 Cb -0.12 -1.77 0.13 0.00 0.00 0.00 0.00 23.12 21.36 1qga s ALA 226 CO 0.22 -1.88 0.89 0.08 0.00 0.00 0.00 175.76 175.07 1qga s VAL 227 N 0.95 4.84 0.28 0.00 1.01 -1.24 -2.37 120.40 123.88 1qga s VAL 227 Ca 0.14 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1qga s VAL 227 Cb -0.21 -4.61 0.28 0.00 0.00 0.00 0.00 36.38 31.83 1qga s VAL 227 CO -0.11 -1.29 1.78 0.77 0.00 0.00 0.00 175.10 176.26 1qga h SER 228 N 8.90 0.71 0.11 3.32 4.64 -1.05 0.14 113.55 130.33 1qga h SER 228 Ca -0.08 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1qga h SER 228 Cb 1.06 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1qga h SER 228 CO 1.06 0.29 -0.20 0.54 -0.87 0.00 0.00 176.83 177.65 1qga n ARG 229 N -4.78 1.23 -0.00 4.77 1.74 -0.33 -3.98 116.66 115.30 1qga n ARG 229 Ca 0.20 -0.80 0.01 0.00 -0.77 0.00 0.00 57.85 56.49 1qga n ARG 229 Cb 0.49 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 1qga n ARG 229 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1qga n GLU 230 N -0.18 0.90 -4.36 5.56 1.02 -0.91 -5.04 120.64 117.63 1qga n GLU 230 Ca 0.14 -0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 57.01 1qga n GLU 230 Cb 0.39 -1.06 -0.09 0.00 -0.02 0.00 0.00 31.44 30.65 1qga n GLU 230 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1qga s GLN 231 N -2.15 1.95 -0.07 3.49 -0.21 0.45 -5.06 119.66 118.06 1qga s GLN 231 Ca -0.01 -1.49 -0.16 0.00 0.02 0.00 0.00 55.36 53.73 1qga s GLN 231 Cb 0.01 -2.01 0.03 0.00 1.00 0.00 0.00 33.01 32.05 1qga s GLN 231 CO 0.10 0.38 0.37 0.54 -2.12 0.00 0.00 175.29 174.57 1qga s VAL 232 N -2.10 0.03 0.36 1.09 0.11 -1.26 -1.19 120.40 117.44 1qga s VAL 232 Ca 0.28 -0.24 -0.06 0.00 -2.93 0.00 0.00 61.98 59.02 1qga s VAL 232 Cb -0.07 -0.62 0.08 0.00 -1.53 0.00 0.00 36.38 34.24 1qga s VAL 232 CO 0.16 -0.13 0.49 -0.46 -3.33 0.00 0.00 175.10 171.82 1qga n ASN 233 N 1.90 0.05 0.04 3.54 0.23 -0.65 -4.85 115.26 115.50 1qga n ASN 233 Ca -0.18 -1.18 0.19 0.00 -0.53 0.00 0.00 54.58 52.87 1qga n ASN 233 Cb 0.57 -0.37 0.68 0.00 -2.08 0.00 0.00 39.78 38.58 1qga n ASN 233 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1qga h ASP 234 N -0.64 0.00 0.14 0.53 2.03 -2.01 0.11 116.42 116.59 1qga h ASP 234 Ca -0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 1qga h ASP 234 Cb 0.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 1qga h ASP 234 CO 0.11 0.00 -0.07 0.29 -1.03 0.00 0.00 179.24 178.55 1qga n LYS 235 N -4.39 1.10 -0.88 4.15 5.02 -1.26 -4.91 118.16 116.99 1qga n LYS 235 Ca 0.08 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 1qga n LYS 235 Cb 0.54 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1qga n LYS 235 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qga n GLY 236 N 1.19 0.52 3.79 0.72 0.00 0.38 -5.04 105.19 106.75 1qga n GLY 236 Ca 0.18 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1qga n GLY 236 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qga s GLU 237 N -0.72 4.50 0.27 1.61 2.02 -1.26 -4.80 118.70 120.32 1qga s GLU 237 Ca 0.00 1.19 -0.31 0.00 0.02 0.00 0.00 54.97 55.88 1qga s GLU 237 Cb 0.00 -2.85 -0.12 0.00 0.10 0.00 0.00 34.13 31.26 1qga s GLU 237 CO 0.00 0.33 1.63 1.63 0.02 0.00 0.00 175.26 178.87 1qga n LYS 238 N 0.67 2.74 -2.27 1.61 5.02 -1.26 -1.64 118.16 123.02 1qga n LYS 238 Ca 0.00 0.98 -0.33 0.00 -2.02 0.00 0.00 58.31 56.94 1qga n LYS 238 Cb 0.50 -2.78 -0.04 0.00 -0.02 0.00 0.00 35.03 32.69 1qga n LYS 238 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1qga s MET 239 N -0.10 3.03 0.66 1.97 -2.45 -0.33 -4.82 119.30 117.26 1qga s MET 239 Ca 0.67 -0.92 -0.03 0.00 -1.25 0.00 0.00 55.69 54.16 1qga s MET 239 Cb -0.50 -5.25 0.07 0.00 1.25 0.00 0.00 34.83 30.41 1qga s MET 239 CO 0.44 -3.01 0.93 0.71 1.05 0.00 0.00 175.02 175.14 1qga s TYR 240 N 8.01 2.56 0.25 4.11 2.02 -1.26 -2.21 117.35 130.83 1qga s TYR 240 Ca 0.61 0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 57.37 1qga s TYR 240 Cb -0.02 -3.01 0.46 0.00 -0.40 0.00 0.00 41.96 38.98 1qga s TYR 240 CO 0.00 -1.31 1.74 0.97 -1.57 0.00 0.00 175.55 175.38 1qga h ILE 241 N -0.36 0.68 0.00 2.71 2.10 -1.91 -1.97 117.51 118.77 1qga h ILE 241 Ca -0.42 -0.16 -0.03 0.00 1.08 0.00 0.00 64.86 65.33 1qga h ILE 241 Cb 1.29 0.16 -0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1qga h ILE 241 CO 0.52 0.09 -0.13 0.06 -1.08 0.00 0.00 178.15 177.61 1qga h GLN 242 N 0.48 0.00 -0.02 2.19 -0.00 -1.92 -1.17 115.11 114.67 1qga h GLN 242 Ca 0.41 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.87 1qga h GLN 242 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.08 1qga h GLN 242 CO -0.38 0.13 -0.83 1.15 -0.00 0.00 0.00 178.83 178.89 1qga h THR 243 N 0.00 1.44 0.06 1.86 2.02 -1.70 -1.43 112.91 115.16 1qga h THR 243 Ca -0.00 -2.43 -0.23 0.00 0.77 0.00 0.00 66.41 64.52 1qga h THR 243 Cb 0.64 2.34 0.02 0.00 -1.74 0.00 0.00 68.15 69.41 1qga h THR 243 CO 0.02 0.71 -0.95 -0.09 0.37 0.00 0.00 175.52 175.58 1qga h ARG 244 N 0.17 0.54 -0.51 6.66 9.65 -1.20 -3.21 114.38 126.48 1qga h ARG 244 Ca -0.04 -0.66 0.03 0.00 -1.10 0.00 0.00 59.98 58.21 1qga h ARG 244 Cb 1.43 0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 30.19 1qga h ARG 244 CO 0.13 1.27 0.34 0.52 2.80 0.00 0.00 179.97 185.03 1qga h MET 245 N 0.11 0.56 -0.37 0.20 2.86 -1.15 -1.91 114.93 115.23 1qga h MET 245 Ca -0.13 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1qga h MET 245 Cb 1.65 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 33.16 1qga h MET 245 CO 0.18 0.37 0.25 0.00 1.06 0.00 0.00 176.91 178.78 1qga h ALA 246 N 1.71 1.96 0.00 6.32 0.00 -1.26 -0.87 119.26 127.12 1qga h ALA 246 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qga h ALA 246 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qga h ALA 246 CO -0.05 -0.02 0.00 1.96 0.00 0.00 0.00 179.25 181.14 1qga h GLN 247 N 0.31 0.00 0.00 0.00 4.20 -1.42 -2.71 115.11 115.49 1qga h GLN 247 Ca 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1qga h GLN 247 Cb 0.24 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1qga h GLN 247 CO -0.03 0.00 -0.25 0.66 -0.67 0.00 0.00 178.83 178.54 1qga n TYR 248 N -2.35 0.00 -0.20 2.96 4.01 -0.38 -4.90 117.16 116.30 1qga n TYR 248 Ca 0.01 -1.13 -0.00 0.00 -0.16 0.00 0.00 57.90 56.61 1qga n TYR 248 Cb 0.17 -0.18 0.08 0.00 -0.31 0.00 0.00 39.34 39.09 1qga n TYR 248 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qga h ALA 249 N 0.42 0.51 0.06 -0.72 0.00 -1.10 -1.09 119.26 117.35 1qga h ALA 249 Ca -0.01 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1qga h ALA 249 Cb 1.05 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 1qga h ALA 249 CO 0.00 -0.41 -0.33 1.49 0.00 0.00 0.00 179.25 180.00 1qga h GLU 250 N 0.07 -0.50 -0.25 0.00 4.81 -1.90 -1.88 114.58 114.93 1qga h GLU 250 Ca 0.30 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1qga h GLU 250 Cb 0.48 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1qga h GLU 250 CO -0.55 -0.33 0.07 0.93 -0.73 0.00 0.00 179.01 178.40 1qga h GLU 251 N -0.52 0.38 -0.57 1.92 3.07 -1.87 -2.28 114.58 114.71 1qga h GLU 251 Ca 0.05 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1qga h GLU 251 Cb 0.58 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 1qga h GLU 251 CO -0.23 0.46 0.29 -0.07 -1.40 0.00 0.00 179.01 178.06 1qga h LEU 252 N 0.23 0.74 -0.75 1.33 3.38 -1.21 -1.11 115.31 117.92 1qga h LEU 252 Ca 0.08 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1qga h LEU 252 Cb 0.24 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1qga h LEU 252 CO -0.00 0.65 0.45 -0.25 0.09 0.00 0.00 178.44 179.38 1qga h TRP 253 N 0.78 0.84 -0.60 1.13 -0.00 -1.19 0.32 115.95 117.23 1qga h TRP 253 Ca 0.20 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 59.10 1qga h TRP 253 Cb 0.10 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 28.97 1qga h TRP 253 CO -0.00 0.43 0.31 1.49 -0.00 0.00 0.00 178.44 180.66 1qga h GLU 254 N 0.84 0.85 -0.13 2.65 4.57 -1.14 -1.38 114.58 120.84 1qga h GLU 254 Ca 0.32 -0.11 -0.16 0.00 -1.18 0.00 0.00 59.36 58.23 1qga h GLU 254 Cb 0.14 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1qga h GLU 254 CO -0.16 0.67 -0.62 -0.07 -1.18 0.00 0.00 179.01 177.65 1qga h LEU 255 N 0.81 0.51 -2.55 1.64 3.38 -0.22 -2.89 115.31 116.00 1qga h LEU 255 Ca 0.21 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1qga h LEU 255 Cb 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1qga h LEU 255 CO -0.03 1.00 -0.02 -0.07 0.09 0.00 0.00 178.44 179.41 1qga h LEU 256 N 0.33 0.00 0.00 1.67 3.38 0.28 0.13 115.31 121.09 1qga h LEU 256 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1qga h LEU 256 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1qga h LEU 256 CO 0.11 0.02 -0.57 0.11 0.09 0.00 0.00 178.44 178.20 1qga h LYS 257 N 0.00 0.00 -7.17 1.13 1.57 -1.07 -3.46 116.57 107.56 1qga h LYS 257 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1qga h LYS 257 Cb 0.09 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.49 1qga h LYS 257 CO 0.00 0.00 0.39 0.15 -0.57 0.00 0.00 179.45 179.42 1qga s LYS 258 N -3.22 2.95 0.00 3.15 3.01 0.44 -4.94 119.74 121.14 1qga s LYS 258 Ca 0.05 1.43 0.26 0.00 -1.01 0.00 0.00 55.97 56.70 1qga s LYS 258 Cb 0.11 -1.97 0.72 0.00 -1.01 0.00 0.00 37.83 35.69 1qga s LYS 258 CO 0.72 -1.14 1.55 -0.40 0.51 0.00 0.00 175.35 176.59 1qga n ASP 259 N -2.15 0.84 -1.10 2.83 5.75 -1.26 -3.74 116.55 117.72 1qga n ASP 259 Ca 0.11 -0.69 0.02 0.00 -0.01 0.00 0.00 54.79 54.22 1qga n ASP 259 Cb 0.52 0.15 0.24 0.00 -1.03 0.00 0.00 41.12 40.99 1qga n ASP 259 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1qga n ASN 260 N -0.90 3.47 -4.62 -1.12 6.94 -1.26 -4.97 115.26 112.80 1qga n ASN 260 Ca 0.10 -3.31 -0.37 0.00 -0.02 0.00 0.00 54.58 50.99 1qga n ASN 260 Cb 0.34 -0.60 -0.10 0.00 -2.36 0.00 0.00 39.78 37.06 1qga n ASN 260 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1qga s THR 261 N -3.00 5.33 -0.15 5.53 2.01 -1.25 -1.16 115.64 122.96 1qga s THR 261 Ca 0.44 0.18 -0.00 0.00 0.31 0.00 0.00 61.69 62.62 1qga s THR 261 Cb 0.37 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 1qga s THR 261 CO 0.06 0.29 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.78 1qga s PHE 262 N 1.46 2.80 -0.12 4.92 0.40 0.40 -4.83 117.98 123.01 1qga s PHE 262 Ca 0.07 -0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 55.50 1qga s PHE 262 Cb -0.15 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1qga s PHE 262 CO 0.08 -0.36 0.02 0.08 0.70 0.00 0.00 175.22 175.74 1qga s VAL 263 N 0.63 4.47 -0.07 -0.44 1.01 0.49 -1.62 120.40 124.88 1qga s VAL 263 Ca -0.08 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1qga s VAL 263 Cb -0.16 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 1qga s VAL 263 CO 0.03 0.55 -0.22 -0.31 0.00 0.00 0.00 175.10 175.15 1qga s TYR 264 N -0.39 2.22 -0.09 5.22 1.51 0.40 -0.54 117.35 125.69 1qga s TYR 264 Ca 0.08 -0.76 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 1qga s TYR 264 Cb -0.12 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1qga s TYR 264 CO 0.02 -0.28 -0.10 1.41 -1.11 0.00 0.00 175.55 175.49 1qga s MET 265 N 0.13 1.64 -0.06 -0.62 1.75 0.13 -0.45 119.30 121.82 1qga s MET 265 Ca -0.10 -0.35 -0.07 0.00 -1.25 0.00 0.00 55.69 53.92 1qga s MET 265 Cb -0.15 -1.49 0.02 0.00 2.84 0.00 0.00 34.83 36.05 1qga s MET 265 CO 0.05 -0.10 0.19 0.00 -0.65 0.00 0.00 175.02 174.51 1qga n GLY 267 N 2.82 0.39 3.77 0.00 0.00 -1.20 -2.30 105.19 108.67 1qga n GLY 267 Ca -0.14 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 1qga n GLY 267 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qga n LEU 268 N 0.00 4.73 -0.12 0.99 4.77 -1.26 -1.56 117.00 124.55 1qga n LEU 268 Ca 0.00 1.21 0.09 0.00 -0.03 0.00 0.00 56.01 57.28 1qga n LEU 268 Cb 0.00 -1.62 0.44 0.00 -2.33 0.00 0.00 43.42 39.90 1qga n LEU 268 CO 0.00 0.18 1.20 0.50 -1.33 0.00 0.00 177.39 177.94 1qga h LYS 269 N 3.41 0.54 0.00 3.23 3.11 -1.85 -2.99 116.57 122.03 1qga h LYS 269 Ca -0.50 -0.03 -0.15 0.00 -2.81 0.00 0.00 60.65 57.16 1qga h LYS 269 Cb 1.24 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 32.32 1qga h LYS 269 CO 0.68 0.36 -0.71 0.78 -2.81 0.00 0.00 179.45 177.74 1qga h GLY 270 N 0.56 0.00 -0.06 5.01 0.00 -1.92 -3.30 103.07 103.36 1qga h GLY 270 Ca 0.28 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.87 1qga h GLY 270 CO -0.09 0.00 0.78 0.00 0.00 0.00 0.00 176.54 177.23 1qga h MET 271 N 0.00 0.00 -1.00 4.80 -0.00 -1.92 -2.21 114.93 114.60 1qga h MET 271 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 59.70 59.83 1qga h MET 271 Cb 1.47 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 32.98 1qga h MET 271 CO 0.09 0.00 0.63 1.49 -0.00 0.00 0.00 176.91 179.12 1qga h GLU 272 N 0.00 0.91 0.18 -0.10 4.81 -1.78 -2.70 114.58 115.91 1qga h GLU 272 Ca 0.42 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 59.35 1qga h GLU 272 Cb 1.98 -0.21 0.03 0.00 0.63 0.00 0.00 28.75 31.18 1qga h GLU 272 CO -0.00 0.60 -1.08 -0.22 -0.73 0.00 0.00 179.01 177.58 1qga h LYS 273 N 0.94 0.39 -0.80 1.92 3.64 -1.67 -2.87 116.57 118.11 1qga h LYS 273 Ca 0.51 -0.66 0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1qga h LYS 273 Cb 0.58 0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 1qga h LYS 273 CO -0.29 1.32 0.52 0.78 -2.27 0.00 0.00 179.45 179.52 1qga h GLY 274 N -0.17 1.08 0.78 5.01 0.00 -1.65 0.16 103.07 108.27 1qga h GLY 274 Ca -0.19 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1qga h GLY 274 CO 0.20 0.20 -0.03 -2.22 0.00 0.00 0.00 176.54 174.68 1qga h ILE 275 N 0.77 1.28 -0.24 2.60 2.04 -1.54 -1.68 117.51 120.75 1qga h ILE 275 Ca 0.36 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1qga h ILE 275 Cb 0.39 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1qga h ILE 275 CO -0.14 0.29 0.02 0.44 0.00 0.00 0.00 178.15 178.75 1qga h ASP 276 N 0.02 0.32 -0.11 1.72 3.32 -1.06 0.50 116.42 121.13 1qga h ASP 276 Ca 0.04 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1qga h ASP 276 Cb 0.45 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1qga h ASP 276 CO 0.01 0.37 0.04 0.44 -1.72 0.00 0.00 179.24 178.38 1qga h ASP 277 N 0.35 0.15 -0.86 6.45 5.19 -0.62 -0.15 116.42 126.93 1qga h ASP 277 Ca 0.08 -0.17 0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1qga h ASP 277 Cb 0.21 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.64 1qga h ASP 277 CO 0.00 0.29 0.56 -0.29 -3.12 0.00 0.00 179.24 176.68 1qga h ILE 278 N 0.01 1.22 -0.19 0.35 -0.00 -0.11 -3.26 117.51 115.55 1qga h ILE 278 Ca 0.04 -0.42 -0.16 0.00 -0.00 0.00 0.00 64.86 64.32 1qga h ILE 278 Cb 0.18 -0.04 0.00 0.00 -0.00 0.00 0.00 36.82 36.97 1qga h ILE 278 CO -0.00 0.22 -0.49 0.24 -0.00 0.00 0.00 178.15 178.12 1qga h MET 279 N 1.17 0.66 -0.84 2.19 2.86 -0.47 -3.20 114.93 117.30 1qga h MET 279 Ca 0.31 -0.46 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1qga h MET 279 Cb -0.12 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 1qga h MET 279 CO -0.07 1.08 0.52 -0.24 1.06 0.00 0.00 176.91 179.27 1qga h VAL 280 N 0.35 1.23 -0.22 -2.22 3.04 -1.09 -1.93 116.25 115.40 1qga h VAL 280 Ca -0.01 -0.47 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1qga h VAL 280 Cb 1.11 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 1qga h VAL 280 CO 0.11 0.23 0.13 0.28 -1.01 0.00 0.00 177.57 177.31 1qga h SER 281 N 1.15 0.27 0.82 3.17 0.02 -1.59 0.13 113.55 117.51 1qga h SER 281 Ca 0.30 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1qga h SER 281 Cb -0.08 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.40 1qga h SER 281 CO -0.06 0.25 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.42 1qga h LEU 282 N 0.27 -0.93 -0.63 5.07 3.38 -1.47 -1.28 115.31 119.71 1qga h LEU 282 Ca 0.08 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.16 1qga h LEU 282 Cb 0.03 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1qga h LEU 282 CO -0.01 -0.66 0.28 0.00 0.09 0.00 0.00 178.44 178.14 1qga h ALA 283 N -0.95 0.84 -0.10 1.53 0.00 -1.37 -2.24 119.26 116.97 1qga h ALA 283 Ca -0.11 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1qga h ALA 283 Cb 0.85 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1qga h ALA 283 CO 0.19 -0.11 -0.38 0.00 0.00 0.00 0.00 179.25 178.94 1qga h ALA 284 N 1.40 -0.75 0.00 0.00 0.00 -0.41 0.42 119.26 119.92 1qga h ALA 284 Ca 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1qga h ALA 284 Cb 0.33 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1qga h ALA 284 CO -0.26 -0.89 0.11 1.63 0.00 0.00 0.00 179.25 179.84 1qga n LYS 285 N -4.55 0.08 -0.05 0.00 4.76 -0.49 0.16 118.16 118.06 1qga n LYS 285 Ca -0.04 0.55 0.09 0.00 -2.87 0.00 0.00 58.31 56.03 1qga n LYS 285 Cb 0.26 -1.88 0.10 0.00 -1.84 0.00 0.00 35.03 31.68 1qga n LYS 285 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1qga n ASP 286 N -1.93 2.62 -1.87 4.39 2.03 0.38 -4.96 116.55 117.21 1qga n ASP 286 Ca -0.01 -1.77 -0.11 0.00 0.52 0.00 0.00 54.79 53.43 1qga n ASP 286 Cb 0.13 -0.07 0.04 0.00 -0.72 0.00 0.00 41.12 40.49 1qga n ASP 286 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qga n GLY 287 N 0.98 0.29 3.15 0.27 0.00 0.41 -5.03 105.19 105.26 1qga n GLY 287 Ca 0.11 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1qga n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qga s ILE 288 N -3.14 1.15 -0.32 -0.61 -1.09 0.12 -4.99 121.20 112.32 1qga s ILE 288 Ca 0.26 -0.98 -0.14 0.00 -2.23 0.00 0.00 60.65 57.56 1qga s ILE 288 Cb -0.11 -1.03 -0.03 0.00 -1.58 0.00 0.00 42.46 39.71 1qga s ILE 288 CO 0.32 0.05 0.29 -0.62 -1.23 0.00 0.00 174.94 173.75 1qga s ASP 289 N -1.07 6.12 0.21 3.58 2.15 -1.26 -2.47 116.67 123.93 1qga s ASP 289 Ca 0.02 -0.15 -0.09 0.00 0.43 0.00 0.00 52.55 52.77 1qga s ASP 289 Cb -0.08 -2.17 0.23 0.00 -0.30 0.00 0.00 42.92 40.61 1qga s ASP 289 CO 0.01 -0.22 1.84 -0.25 -0.17 0.00 0.00 175.17 176.38 1qga h TRP 290 N 8.40 0.81 -0.35 -5.34 -0.00 -1.88 0.66 115.95 118.25 1qga h TRP 290 Ca -0.32 0.02 0.08 0.00 -0.00 0.00 0.00 58.89 58.67 1qga h TRP 290 Cb 1.16 -0.26 -0.08 0.00 -0.00 0.00 0.00 29.16 29.98 1qga h TRP 290 CO 0.71 0.43 -0.23 0.82 -0.00 0.00 0.00 178.44 180.17 1qga h ILE 291 N 0.83 0.38 -0.01 2.65 5.03 -1.97 1.66 117.51 126.07 1qga h ILE 291 Ca 0.31 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 65.04 1qga h ILE 291 Cb 0.10 0.38 -0.00 0.00 -3.03 0.00 0.00 36.82 34.27 1qga h ILE 291 CO -0.14 0.00 -0.01 -0.33 -0.68 0.00 0.00 178.15 176.98 1qga h GLU 292 N -0.18 0.02 -0.84 2.37 3.07 -1.89 -2.95 114.58 114.19 1qga h GLU 292 Ca 0.17 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.11 1qga h GLU 292 Cb 0.45 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.29 1qga h GLU 292 CO -0.46 0.57 0.49 -0.92 -1.40 0.00 0.00 179.01 177.30 1qga h TYR 293 N -0.52 0.90 -0.93 4.33 3.20 0.11 -1.90 116.97 122.16 1qga h TYR 293 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1qga h TYR 293 Cb 0.57 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 1qga h TYR 293 CO 0.12 0.39 0.62 -0.22 -1.64 0.00 0.00 178.16 177.42 1qga h LYS 294 N 0.84 1.22 0.00 1.82 3.64 0.24 -2.14 116.57 122.19 1qga h LYS 294 Ca 0.40 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1qga h LYS 294 Cb 0.33 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1qga h LYS 294 CO -0.23 0.81 -0.21 0.00 -2.27 0.00 0.00 179.45 177.54 1qga h ARG 295 N 1.26 -0.33 -0.34 1.90 2.47 -1.16 0.16 114.38 118.34 1qga h ARG 295 Ca 0.35 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 59.15 1qga h ARG 295 Cb -0.13 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.21 1qga h ARG 295 CO -0.08 -0.22 -0.03 1.15 0.56 0.00 0.00 179.97 181.35 1qga h THR 296 N -0.34 0.72 -0.23 2.04 2.02 -1.22 -0.18 112.91 115.72 1qga h THR 296 Ca 0.06 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.26 1qga h THR 296 Cb 0.42 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1qga h THR 296 CO -0.20 0.01 -0.02 -0.07 0.37 0.00 0.00 175.52 175.61 1qga h LEU 297 N 0.06 -0.14 -0.16 2.58 3.38 -1.02 0.53 115.31 120.54 1qga h LEU 297 Ca 0.16 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1qga h LEU 297 Cb 0.23 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1qga h LEU 297 CO -0.30 -0.04 0.07 0.11 0.09 0.00 0.00 178.44 178.36 1qga h LYS 298 N 0.04 0.15 0.00 1.13 1.57 -0.60 0.14 116.57 119.00 1qga h LYS 298 Ca 0.11 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1qga h LYS 298 Cb 0.15 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1qga h LYS 298 CO -0.20 0.10 -0.25 1.57 -0.57 0.00 0.00 179.45 180.09 1qga h LYS 299 N 0.15 0.00 -0.13 3.15 2.10 -0.69 -1.55 116.57 119.60 1qga h LYS 299 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1qga h LYS 299 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1qga h LYS 299 CO -0.05 0.25 0.00 0.00 -2.00 0.00 0.00 179.45 177.65 1qga n ALA 300 N -2.37 2.52 -2.12 0.07 0.00 0.18 -4.90 120.51 113.88 1qga n ALA 300 Ca -0.02 -0.31 -0.16 0.00 0.00 0.00 0.00 53.44 52.95 1qga n ALA 300 Cb 0.34 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1qga n ALA 300 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qga n GLU 301 N -0.11 -1.24 -0.03 0.00 1.02 -0.58 -4.92 120.64 114.78 1qga n GLU 301 Ca 0.10 0.84 0.04 0.00 -0.02 0.00 0.00 57.16 58.12 1qga n GLU 301 Cb 0.17 -5.18 0.05 0.00 -0.02 0.00 0.00 31.44 26.47 1qga n GLU 301 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1qga n GLN 302 N -2.53 0.81 -3.52 3.49 6.02 0.43 -4.76 117.38 117.32 1qga n GLN 302 Ca -0.18 -1.20 -0.29 0.00 -0.01 0.00 0.00 57.00 55.32 1qga n GLN 302 Cb 0.62 -1.15 -0.12 0.00 1.02 0.00 0.00 30.24 30.60 1qga n GLN 302 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 1qga s TRP 303 N -0.73 1.15 -0.26 1.08 -0.11 -1.19 -0.38 118.94 118.50 1qga s TRP 303 Ca 0.11 -1.96 -0.10 0.00 1.22 0.00 0.00 56.10 55.36 1qga s TRP 303 Cb 0.07 -1.19 -0.04 0.00 -1.50 0.00 0.00 33.47 30.80 1qga s TRP 303 CO 0.10 -0.81 0.15 -0.80 -4.62 0.00 0.00 176.95 170.97 1qga s ASN 304 N 0.68 5.82 -0.04 5.86 0.01 0.30 -4.57 114.94 123.01 1qga s ASN 304 Ca 0.20 -0.03 0.05 0.00 -0.71 0.00 0.00 52.86 52.38 1qga s ASN 304 Cb -0.19 -2.07 -0.01 0.00 0.41 0.00 0.00 41.25 39.40 1qga s ASN 304 CO -0.03 -0.01 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.66 1qga s VAL 305 N 1.53 1.66 -0.37 1.60 1.01 -1.26 -0.69 120.40 123.87 1qga s VAL 305 Ca 0.07 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1qga s VAL 305 Cb -0.15 -1.41 0.15 0.00 0.00 0.00 0.00 36.38 34.97 1qga s VAL 305 CO 0.08 0.47 0.32 -0.70 0.00 0.00 0.00 175.10 175.26 1qga s GLU 306 N -0.13 0.65 0.20 2.72 2.12 0.04 -4.97 118.70 119.33 1qga s GLU 306 Ca -0.01 -1.25 0.10 0.00 0.36 0.00 0.00 54.97 54.17 1qga s GLU 306 Cb -0.11 -1.04 -0.04 0.00 0.26 0.00 0.00 34.13 33.20 1qga s GLU 306 CO 0.02 -1.24 -0.14 0.14 -0.54 0.00 0.00 175.26 173.50 1qga s VAL 307 N 1.06 2.89 0.00 3.70 -7.23 -1.26 -3.26 120.40 116.30 1qga s VAL 307 Ca 0.20 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1qga s VAL 307 Cb -0.15 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1qga s VAL 307 CO -0.03 -0.14 0.00 -2.67 -0.31 0.00 0.00 175.10 171.94