#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgs n SER 6 N 0.00 0.00 -0.12 4.31 3.41 -1.26 -4.39 113.62 115.57 3dgs n SER 6 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3dgs n SER 6 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3dgs n SER 6 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dgs n SER 7 N 0.00 0.19 -2.18 4.04 3.41 -1.26 -4.88 113.62 112.94 3dgs n SER 7 Ca 0.00 -1.50 -0.01 0.00 -0.26 0.00 0.00 58.87 57.10 3dgs n SER 7 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3dgs n SER 7 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dgs n LEU 8 N -0.35 -5.23 -0.49 1.04 7.99 -1.26 -4.58 117.00 114.11 3dgs n LEU 8 Ca 0.00 0.61 0.11 0.00 -0.01 0.00 0.00 56.01 56.72 3dgs n LEU 8 Cb 0.05 -2.28 0.41 0.00 -0.11 0.00 0.00 43.42 41.49 3dgs n LEU 8 CO 0.00 -1.58 0.79 0.00 -1.51 0.00 0.00 177.39 175.09 3dgs n ALA 9 N 0.12 2.53 -1.68 -1.18 0.00 -1.26 -4.74 120.51 114.30 3dgs n ALA 9 Ca 0.02 -0.48 -0.44 0.00 0.00 0.00 0.00 53.44 52.55 3dgs n ALA 9 Cb 0.08 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 3dgs n ALA 9 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dgs n LYS 10 N 0.20 2.09 -1.71 0.00 5.02 -1.26 -4.91 118.16 117.59 3dgs n LYS 10 Ca 0.16 0.74 -0.37 0.00 -2.02 0.00 0.00 58.31 56.82 3dgs n LYS 10 Cb 0.31 -2.37 0.07 0.00 -0.02 0.00 0.00 35.03 33.02 3dgs n LYS 10 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3dgs n SER 11 N 1.64 1.91 -4.60 4.39 3.41 -1.26 -4.58 113.62 114.52 3dgs n SER 11 Ca 0.09 0.83 -0.33 0.00 -0.26 0.00 0.00 58.87 59.20 3dgs n SER 11 Cb 0.33 -1.53 0.13 0.00 -0.26 0.00 0.00 64.21 62.88 3dgs n SER 11 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3dgs n HIS 12 N -1.89 0.32 -4.02 7.33 8.25 -1.26 -4.82 115.22 119.12 3dgs n HIS 12 Ca 0.16 0.36 -0.33 0.00 -0.26 0.00 0.00 57.72 57.65 3dgs n HIS 12 Cb 0.48 -1.98 -0.15 0.00 1.12 0.00 0.00 29.99 29.46 3dgs n HIS 12 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3dgs s ILE 13 N -2.32 2.41 -0.68 1.59 1.01 0.25 -4.95 121.20 118.51 3dgs s ILE 13 Ca 0.67 -1.53 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 3dgs s ILE 13 Cb -0.26 -2.39 0.14 0.00 0.01 0.00 0.00 42.46 39.96 3dgs s ILE 13 CO 0.58 -0.02 0.74 -1.61 0.00 0.00 0.00 174.94 174.62 3dgs s GLU 14 N 1.15 3.24 0.03 2.79 2.02 -1.26 -0.53 118.70 126.14 3dgs s GLU 14 Ca -0.07 -1.71 -0.12 0.00 0.02 0.00 0.00 54.97 53.08 3dgs s GLU 14 Cb -0.20 -4.40 0.04 0.00 0.10 0.00 0.00 34.13 29.68 3dgs s GLU 14 CO -0.04 -1.48 0.57 0.41 0.02 0.00 0.00 175.26 174.74 3dgs n GLY 15 N 5.00 0.64 3.80 -1.39 0.00 -0.94 -4.98 105.19 107.33 3dgs n GLY 15 Ca -0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 3dgs n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dgs s SER 16 N -2.30 6.23 0.04 1.61 0.01 -1.26 -2.47 113.70 115.57 3dgs s SER 16 Ca 0.13 0.35 0.08 0.00 1.31 0.00 0.00 55.95 57.82 3dgs s SER 16 Cb -0.01 -2.05 -0.03 0.00 0.21 0.00 0.00 66.02 64.14 3dgs s SER 16 CO 0.01 0.31 -0.21 -0.36 0.41 0.00 0.00 173.24 173.40 3dgs s PHE 17 N -0.43 2.48 0.47 2.43 0.08 -0.28 0.02 117.98 122.74 3dgs s PHE 17 Ca 0.12 -0.30 0.07 0.00 0.12 0.00 0.00 56.93 56.93 3dgs s PHE 17 Cb -0.12 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 3dgs s PHE 17 CO 0.01 0.22 0.41 -0.08 -0.10 0.00 0.00 175.22 175.68 3dgs s THR 18 N -0.89 2.30 -1.26 0.64 -1.32 -1.26 -1.64 115.64 112.20 3dgs s THR 18 Ca 0.14 -1.38 -0.05 0.00 -1.21 0.00 0.00 61.69 59.18 3dgs s THR 18 Cb -0.10 -2.68 0.01 0.00 -1.51 0.00 0.00 72.50 68.21 3dgs s THR 18 CO 0.04 0.00 1.08 0.59 -2.21 0.00 0.00 174.62 174.13 3dgs n ASN 19 N -1.65 -4.70 -5.00 8.08 3.02 -1.25 -4.92 115.26 108.84 3dgs n ASN 19 Ca 0.03 -0.55 -0.18 0.00 -0.03 0.00 0.00 54.58 53.85 3dgs n ASN 19 Cb 0.63 -4.92 0.01 0.00 -0.61 0.00 0.00 39.78 34.88 3dgs n ASN 19 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dgs s VAL 20 N -3.32 3.24 0.03 2.41 -7.23 -1.26 -4.59 120.40 109.68 3dgs s VAL 20 Ca 0.36 -0.94 -0.14 0.00 -1.81 0.00 0.00 61.98 59.45 3dgs s VAL 20 Cb -0.16 -3.11 0.02 0.00 0.56 0.00 0.00 36.38 33.69 3dgs s VAL 20 CO 0.71 -0.05 0.30 -1.66 -0.31 0.00 0.00 175.10 174.09 3dgs s TRP 21 N -2.37 -0.12 -0.20 2.82 -2.14 -0.63 -4.99 118.94 111.31 3dgs s TRP 21 Ca 0.53 0.05 -0.06 0.00 2.66 0.00 0.00 56.10 59.28 3dgs s TRP 21 Cb -0.10 0.09 -0.03 0.00 -3.10 0.00 0.00 33.47 30.33 3dgs s TRP 21 CO 0.33 -0.47 0.04 0.21 -2.66 0.00 0.00 176.95 174.40 3dgs s LYS 22 N -2.20 3.78 0.10 3.25 2.20 -1.26 -0.98 119.74 124.62 3dgs s LYS 22 Ca -0.07 -0.44 -0.31 0.00 -0.36 0.00 0.00 55.97 54.79 3dgs s LYS 22 Cb -0.02 -3.17 -0.08 0.00 -1.51 0.00 0.00 37.83 33.05 3dgs s LYS 22 CO -0.01 0.11 1.50 0.34 -0.36 0.00 0.00 175.35 176.92 3dgs s ASP 23 N 0.79 6.71 0.56 1.43 2.15 -0.32 -4.91 116.67 123.08 3dgs s ASP 23 Ca 0.02 2.41 0.28 0.00 0.43 0.00 0.00 52.55 55.69 3dgs s ASP 23 Cb -0.14 -2.58 1.63 0.00 -0.30 0.00 0.00 42.92 41.54 3dgs s ASP 23 CO 0.02 -0.76 2.17 0.44 -0.17 0.00 0.00 175.17 176.87 3dgs h ASP 24 N 7.30 0.00 0.01 -0.34 3.32 -1.94 -1.57 116.42 123.20 3dgs h ASP 24 Ca -0.42 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.28 3dgs h ASP 24 Cb 1.20 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 3dgs h ASP 24 CO 0.90 0.06 -1.93 1.17 -1.72 0.00 0.00 179.24 177.72 3dgs n LYS 25 N -3.77 0.60 0.00 3.56 3.00 -1.26 -3.14 118.16 117.14 3dgs n LYS 25 Ca -0.02 0.39 0.11 0.00 -0.00 0.00 0.00 58.31 58.79 3dgs n LYS 25 Cb 0.15 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.56 3dgs n LYS 25 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3dgs n THR 26 N -4.20 0.03 -1.41 3.15 -2.24 -1.25 -4.83 114.28 103.54 3dgs n THR 26 Ca -0.42 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 3dgs n THR 26 Cb 0.82 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 3dgs n THR 26 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3dgs n LEU 27 N -1.60 -0.94 -4.90 3.22 4.77 -0.59 -4.80 117.00 112.16 3dgs n LEU 27 Ca 0.04 0.35 -0.28 0.00 -0.03 0.00 0.00 56.01 56.08 3dgs n LEU 27 Cb 0.36 -2.24 -0.01 0.00 -2.33 0.00 0.00 43.42 39.19 3dgs n LEU 27 CO 0.40 -0.81 0.42 -1.81 -1.33 0.00 0.00 177.39 174.27 3dgs s ASP 28 N -2.75 6.36 -0.10 -1.43 1.01 -1.26 -4.79 116.67 113.71 3dgs s ASP 28 Ca 0.00 0.97 -0.06 0.00 0.71 0.00 0.00 52.55 54.18 3dgs s ASP 28 Cb 0.00 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 3dgs s ASP 28 CO 0.00 -0.49 0.14 0.26 0.21 0.00 0.00 175.17 175.28 3dgs s TRP 29 N -2.58 3.56 0.18 4.23 0.52 -1.26 -1.17 118.94 122.42 3dgs s TRP 29 Ca 0.48 0.48 0.03 0.00 0.02 0.00 0.00 56.10 57.11 3dgs s TRP 29 Cb -0.10 -1.91 -0.05 0.00 -1.15 0.00 0.00 33.47 30.26 3dgs s TRP 29 CO 0.40 0.71 -0.04 0.71 0.02 0.00 0.00 176.95 178.74 3dgs s TYR 30 N -1.07 1.34 0.00 -1.98 2.02 -0.16 -1.04 117.35 116.46 3dgs s TYR 30 Ca 0.17 -0.89 -0.25 0.00 -0.37 0.00 0.00 57.07 55.73 3dgs s TYR 30 Cb -0.12 -0.74 0.06 0.00 -0.40 0.00 0.00 41.96 40.76 3dgs s TYR 30 CO 0.06 -0.04 0.57 0.00 -1.57 0.00 0.00 175.55 174.57 3dgs s ALA 31 N -3.45 -1.48 -0.13 3.71 0.00 -0.74 -1.61 121.76 118.07 3dgs s ALA 31 Ca 0.22 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 53.01 3dgs s ALA 31 Cb 0.05 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 3dgs s ALA 31 CO 0.04 -0.43 0.03 -0.80 0.00 0.00 0.00 175.76 174.60 3dgs s ASN 32 N -1.60 5.44 -0.21 0.00 0.02 -1.26 -0.41 114.94 116.92 3dgs s ASN 32 Ca -0.08 0.13 -0.08 0.00 -1.02 0.00 0.00 52.86 51.81 3dgs s ASN 32 Cb -0.01 -1.73 0.09 0.00 0.02 0.00 0.00 41.25 39.62 3dgs s ASN 32 CO 0.03 0.30 0.46 -0.47 0.02 0.00 0.00 177.10 177.44 3dgs s TYR 33 N -0.39 -0.83 -1.34 2.20 5.04 -0.00 -4.93 117.35 117.10 3dgs s TYR 33 Ca 0.08 1.60 -0.00 0.00 -2.44 0.00 0.00 57.07 56.31 3dgs s TYR 33 Cb -0.12 0.37 -0.00 0.00 0.35 0.00 0.00 41.96 42.56 3dgs s TYR 33 CO 0.02 -0.47 0.58 0.39 -1.34 0.00 0.00 175.55 174.73 3dgs n GLU 34 N 5.06 -4.21 -1.46 4.97 1.02 -1.26 -1.47 120.64 123.30 3dgs n GLU 34 Ca -0.13 0.53 -0.16 0.00 -0.02 0.00 0.00 57.16 57.38 3dgs n GLU 34 Cb 0.51 -4.90 -0.07 0.00 -0.02 0.00 0.00 31.44 26.96 3dgs n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dgs n GLY 35 N -1.74 1.56 3.27 0.62 0.00 -1.26 -4.98 105.19 102.66 3dgs n GLY 35 Ca -0.30 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 3dgs n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dgs s ILE 36 N -2.48 1.71 -0.24 -0.61 1.01 -0.54 -1.91 121.20 118.14 3dgs s ILE 36 Ca 0.00 -1.38 -0.10 0.00 0.00 0.00 0.00 60.65 59.16 3dgs s ILE 36 Cb 0.00 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 3dgs s ILE 36 CO 0.00 0.07 0.15 -0.22 0.00 0.00 0.00 174.94 174.94 3dgs s LEU 37 N -1.56 4.09 -0.06 2.97 2.96 0.17 -0.82 118.68 126.43 3dgs s LEU 37 Ca 0.07 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 3dgs s LEU 37 Cb -0.09 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 3dgs s LEU 37 CO 0.03 0.07 -0.12 0.26 -1.32 0.00 0.00 176.35 175.27 3dgs s TRP 38 N 1.03 2.78 -0.06 5.38 0.52 0.45 -0.48 118.94 128.56 3dgs s TRP 38 Ca 0.07 -0.11 0.02 0.00 0.02 0.00 0.00 56.10 56.10 3dgs s TRP 38 Cb -0.13 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 3dgs s TRP 38 CO 0.04 0.22 -0.10 0.21 0.02 0.00 0.00 176.95 177.35 3dgs s LYS 39 N -0.73 2.65 -0.07 4.98 2.20 -0.48 -1.78 119.74 126.51 3dgs s LYS 39 Ca 0.11 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 3dgs s LYS 39 Cb -0.11 -2.50 -0.02 0.00 -1.51 0.00 0.00 37.83 33.68 3dgs s LYS 39 CO 0.01 0.65 1.08 0.00 -0.36 0.00 0.00 175.35 176.72 3dgs s ALA 40 N -0.78 3.41 0.26 3.13 0.00 -0.21 -1.24 121.76 126.34 3dgs s ALA 40 Ca 0.12 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.61 3dgs s ALA 40 Cb -0.11 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 3dgs s ALA 40 CO 0.01 -0.61 0.12 0.25 0.00 0.00 0.00 175.76 175.52 3dgs n THR 41 N 4.48 0.00 -4.61 0.00 -2.24 -0.99 -4.71 114.28 106.20 3dgs n THR 41 Ca 0.09 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 3dgs n THR 41 Cb 0.48 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3dgs n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dgs n GLY 42 N 0.10 0.73 3.70 3.38 0.00 -1.26 -1.55 105.19 110.28 3dgs n GLY 42 Ca -0.02 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 3dgs n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dgs s VAL 43 N 0.00 5.04 -0.34 1.61 1.01 -1.26 -4.90 120.40 121.55 3dgs s VAL 43 Ca 0.00 1.38 -0.10 0.00 0.00 0.00 0.00 61.98 63.26 3dgs s VAL 43 Cb 0.00 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3dgs s VAL 43 CO 0.00 0.21 0.17 -0.69 0.00 0.00 0.00 175.10 174.79 3dgs s VAL 44 N 1.13 4.52 -0.19 2.92 1.01 -1.26 -4.17 120.40 124.35 3dgs s VAL 44 Ca 0.35 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 3dgs s VAL 44 Cb -0.17 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 3dgs s VAL 44 CO 0.15 -0.08 -0.06 -0.69 0.00 0.00 0.00 175.10 174.43 3dgs s VAL 45 N 1.57 3.40 -0.05 2.92 1.01 -0.07 0.02 120.40 129.21 3dgs s VAL 45 Ca 0.03 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3dgs s VAL 45 Cb -0.18 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3dgs s VAL 45 CO 0.06 0.45 -0.19 -0.63 0.00 0.00 0.00 175.10 174.79 3dgs s ILE 46 N 1.10 2.60 0.79 2.22 1.01 -0.37 0.26 121.20 128.82 3dgs s ILE 46 Ca 0.01 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 3dgs s ILE 46 Cb -0.15 -1.98 0.07 0.00 0.01 0.00 0.00 42.46 40.41 3dgs s ILE 46 CO -0.01 0.58 1.10 0.42 0.00 0.00 0.00 174.94 177.03 3dgs s THR 47 N -0.53 3.16 0.39 2.92 -4.23 -0.81 -0.64 115.64 115.91 3dgs s THR 47 Ca 0.07 0.38 0.14 0.00 -1.18 0.00 0.00 61.69 61.10 3dgs s THR 47 Cb -0.11 -2.82 0.36 0.00 1.34 0.00 0.00 72.50 71.27 3dgs s THR 47 CO 0.01 -0.49 1.85 1.23 -0.54 0.00 0.00 174.62 176.68 3dgs h GLY 48 N -1.23 1.03 -1.78 3.99 0.00 -1.93 -0.40 103.07 102.75 3dgs h GLY 48 Ca -0.44 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.66 3dgs h GLY 48 CO 0.51 0.02 0.00 2.09 0.00 0.00 0.00 176.54 179.15 3dgs n ASP 49 N -4.55 2.70 -2.04 0.19 5.68 -1.26 -4.94 116.55 112.33 3dgs n ASP 49 Ca 0.19 -1.95 -0.18 0.00 -0.50 0.00 0.00 54.79 52.35 3dgs n ASP 49 Cb 0.62 -0.29 -0.04 0.00 -1.14 0.00 0.00 41.12 40.27 3dgs n ASP 49 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3dgs n GLU 50 N 0.98 -1.66 0.02 0.11 4.71 -0.16 -4.85 120.64 119.79 3dgs n GLU 50 Ca 0.18 0.98 0.11 0.00 -0.01 0.00 0.00 57.16 58.42 3dgs n GLU 50 Cb 0.45 -5.50 0.10 0.00 -1.01 0.00 0.00 31.44 25.48 3dgs n GLU 50 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3dgs n THR 51 N -3.16 0.12 -3.93 2.62 -2.24 -1.26 -4.88 114.28 101.55 3dgs n THR 51 Ca -0.20 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 3dgs n THR 51 Cb 0.64 0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.99 3dgs n THR 51 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dgs s GLN 52 N -3.11 0.11 -0.06 -0.78 -0.21 -1.26 -3.81 119.66 110.54 3dgs s GLN 52 Ca 0.07 -0.10 -0.01 0.00 0.02 0.00 0.00 55.36 55.34 3dgs s GLN 52 Cb 0.15 -0.07 0.03 0.00 1.00 0.00 0.00 33.01 34.12 3dgs s GLN 52 CO 0.76 0.02 -0.01 0.08 -2.12 0.00 0.00 175.29 174.02 3dgs s VAL 53 N -0.18 0.42 -0.11 1.09 1.01 -0.65 -1.92 120.40 120.06 3dgs s VAL 53 Ca -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 3dgs s VAL 53 Cb -0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3dgs s VAL 53 CO -0.00 0.25 0.20 -0.47 0.00 0.00 0.00 175.10 175.07 3dgs s TYR 54 N 1.62 3.60 -0.07 5.22 5.04 0.14 -1.13 117.35 131.77 3dgs s TYR 54 Ca -0.00 0.60 -0.27 0.00 -2.44 0.00 0.00 57.07 54.96 3dgs s TYR 54 Cb -0.13 -2.05 0.09 0.00 0.35 0.00 0.00 41.96 40.22 3dgs s TYR 54 CO -0.04 0.65 1.19 0.00 -1.34 0.00 0.00 175.55 176.01 3dgs n ALA 55 N 2.20 -3.41 -3.11 3.97 0.00 -1.03 -0.89 120.51 118.24 3dgs n ALA 55 Ca -0.18 -0.66 -0.45 0.00 0.00 0.00 0.00 53.44 52.15 3dgs n ALA 55 Cb 0.54 0.04 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 3dgs n ALA 55 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dgs s ILE 56 N -2.01 5.35 -0.14 0.00 1.01 -0.60 -2.21 121.20 122.60 3dgs s ILE 56 Ca 0.28 -2.70 -0.29 0.00 0.00 0.00 0.00 60.65 57.94 3dgs s ILE 56 Cb -0.00 -4.75 -0.05 0.00 0.01 0.00 0.00 42.46 37.67 3dgs s ILE 56 CO -0.02 -1.41 1.77 0.26 0.00 0.00 0.00 174.94 175.54 3dgs s TRP 57 N 0.72 1.81 -0.16 3.97 0.52 0.31 -2.36 118.94 123.75 3dgs s TRP 57 Ca 0.35 0.31 -0.05 0.00 0.02 0.00 0.00 56.10 56.72 3dgs s TRP 57 Cb -0.06 -4.00 -0.04 0.00 -1.15 0.00 0.00 33.47 28.22 3dgs s TRP 57 CO -0.05 -3.71 0.02 0.14 0.02 0.00 0.00 176.95 173.37 3dgs s VAL 58 N 5.28 4.44 0.13 4.03 -7.23 -0.37 -0.58 120.40 126.10 3dgs s VAL 58 Ca 0.79 -0.17 -0.31 0.00 -1.81 0.00 0.00 61.98 60.48 3dgs s VAL 58 Cb -0.31 -2.96 -0.09 0.00 0.56 0.00 0.00 36.38 33.58 3dgs s VAL 58 CO 0.32 0.50 1.60 -2.16 -0.31 0.00 0.00 175.10 175.04 3dgs s PRO 59 N 0.14 4.21 0.00 4.82 0.04 -1.26 -1.38 135.00 141.57 3dgs s PRO 59 Ca 0.02 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.41 3dgs s PRO 59 Cb -0.13 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.09 3dgs s PRO 59 CO 0.01 -0.65 0.27 1.33 0.04 0.00 0.00 177.00 178.01 3dgs n VAL 60 N 4.25 0.00 -3.80 -0.36 0.24 0.36 -4.85 118.33 114.17 3dgs n VAL 60 Ca 0.15 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 3dgs n VAL 60 Cb 0.39 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 3dgs n VAL 60 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dgs n GLY 61 N 0.23 -1.05 3.78 7.63 0.00 -1.16 -4.97 105.19 109.66 3dgs n GLY 61 Ca 0.00 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 3dgs n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dgs s LEU 62 N 0.00 4.08 0.39 0.99 1.43 -1.26 0.43 118.68 124.74 3dgs s LEU 62 Ca 0.00 2.02 -0.27 0.00 -1.03 0.00 0.00 54.13 54.85 3dgs s LEU 62 Cb 0.00 -4.26 -0.10 0.00 0.03 0.00 0.00 46.19 41.86 3dgs s LEU 62 CO 0.00 -0.56 1.43 0.00 0.23 0.00 0.00 176.35 177.46 3dgs s ALA 63 N -1.72 3.47 -0.59 4.21 0.00 -0.80 -3.91 121.76 122.43 3dgs s ALA 63 Ca 0.60 1.48 0.02 0.00 0.00 0.00 0.00 51.96 54.05 3dgs s ALA 63 Cb -0.21 -3.57 0.15 0.00 0.00 0.00 0.00 23.12 19.48 3dgs s ALA 63 CO 0.26 -1.00 0.36 0.42 0.00 0.00 0.00 175.76 175.80 3dgs s ILE 64 N -1.15 3.05 -0.89 0.00 -1.09 -1.26 -4.91 121.20 114.95 3dgs s ILE 64 Ca 0.54 -3.32 -0.30 0.00 -2.23 0.00 0.00 60.65 55.34 3dgs s ILE 64 Cb -0.44 -3.05 -0.20 0.00 -1.58 0.00 0.00 42.46 37.19 3dgs s ILE 64 CO 0.59 -0.85 2.46 -2.65 -1.23 0.00 0.00 174.94 173.26 3dgs n PRO 65 N 3.09 0.00 -3.51 2.79 -0.02 -1.26 -4.98 135.00 131.11 3dgs n PRO 65 Ca 0.08 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.46 3dgs n PRO 65 Cb 0.34 -1.39 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 3dgs n PRO 65 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3dgs s GLY 93 N 8.11 -0.45 0.57 -1.23 0.00 -1.26 -5.23 107.32 107.83 3dgs s GLY 93 Ca 1.25 1.16 -0.10 0.00 0.00 0.00 0.00 44.72 47.04 3dgs s GLY 93 CO 0.47 0.47 0.61 1.22 0.00 0.00 0.00 173.10 175.87 3dgs n ASP 94 N -0.04 -0.88 -4.69 1.64 8.00 0.99 -4.92 116.55 116.65 3dgs n ASP 94 Ca -0.10 -1.01 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 3dgs n ASP 94 Cb 0.61 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 3dgs n ASP 94 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3dgs s THR 95 N -2.21 2.94 0.67 -3.53 -1.32 -1.26 -4.26 115.64 106.67 3dgs s THR 95 Ca 0.37 0.37 -0.15 0.00 -1.21 0.00 0.00 61.69 61.08 3dgs s THR 95 Cb -0.02 -3.24 0.01 0.00 -1.51 0.00 0.00 72.50 67.73 3dgs s THR 95 CO 0.27 -0.00 1.13 -2.16 -2.21 0.00 0.00 174.62 171.65 3dgs s PRO 96 N 2.78 2.67 0.11 7.08 0.04 -1.26 -4.53 135.00 141.89 3dgs s PRO 96 Ca 0.76 1.46 0.07 0.00 0.04 0.00 0.00 61.00 63.33 3dgs s PRO 96 Cb -0.41 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 3dgs s PRO 96 CO 0.33 -1.36 -0.11 0.96 0.04 0.00 0.00 177.00 176.86 3dgs s ILE 97 N -2.28 3.29 0.69 0.56 -4.36 -0.65 -4.89 121.20 113.56 3dgs s ILE 97 Ca 0.68 -1.33 -0.13 0.00 -0.26 0.00 0.00 60.65 59.61 3dgs s ILE 97 Cb -0.22 -2.54 0.01 0.00 1.25 0.00 0.00 42.46 40.96 3dgs s ILE 97 CO 0.42 0.09 1.08 -2.16 0.24 0.00 0.00 174.94 174.61 3dgs s PRO 98 N -2.26 2.75 0.34 0.37 0.04 -1.26 -0.35 135.00 134.63 3dgs s PRO 98 Ca 0.21 1.18 -0.17 0.00 0.04 0.00 0.00 61.00 62.26 3dgs s PRO 98 Cb -0.11 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.54 3dgs s PRO 98 CO 0.13 -1.26 0.86 0.20 0.04 0.00 0.00 177.00 176.97 3dgs s GLY 99 N -3.17 0.33 0.08 0.56 0.00 -0.29 -4.54 107.32 100.30 3dgs s GLY 99 Ca 0.62 -0.67 0.07 0.00 0.00 0.00 0.00 44.72 44.75 3dgs s GLY 99 CO 0.49 0.48 -0.14 -2.52 0.00 0.00 0.00 173.10 171.41 3dgs s TYR 100 N -2.17 2.64 -0.37 1.90 -0.85 0.19 -1.59 117.35 117.10 3dgs s TYR 100 Ca 0.18 -0.21 -0.29 0.00 -0.52 0.00 0.00 57.07 56.23 3dgs s TYR 100 Cb -0.04 -1.43 0.02 0.00 0.38 0.00 0.00 41.96 40.89 3dgs s TYR 100 CO 0.10 0.37 1.14 0.42 -1.52 0.00 0.00 175.55 176.06 3dgs s ILE 101 N -1.10 4.34 0.09 -3.49 1.01 0.53 -1.23 121.20 121.34 3dgs s ILE 101 Ca 0.18 1.48 -0.31 0.00 0.00 0.00 0.00 60.65 62.00 3dgs s ILE 101 Cb -0.11 -4.44 -0.07 0.00 0.01 0.00 0.00 42.46 37.85 3dgs s ILE 101 CO 0.10 -0.67 1.38 -0.47 0.00 0.00 0.00 174.94 175.28 3dgs s TYR 102 N 4.08 3.17 -0.42 3.97 5.04 0.10 -4.33 117.35 128.96 3dgs s TYR 102 Ca 0.48 0.95 -0.14 0.00 -2.44 0.00 0.00 57.07 55.92 3dgs s TYR 102 Cb -0.11 -3.66 0.04 0.00 0.35 0.00 0.00 41.96 38.58 3dgs s TYR 102 CO 0.22 -2.32 0.30 0.42 -1.34 0.00 0.00 175.55 172.84 3dgs s ILE 103 N 1.39 5.03 -0.22 3.14 1.01 -1.26 -4.60 121.20 125.69 3dgs s ILE 103 Ca 0.64 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 3dgs s ILE 103 Cb -0.35 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 3dgs s ILE 103 CO 0.29 -0.37 1.55 0.21 0.00 0.00 0.00 174.94 176.62 3dgs s ASN 104 N 1.90 6.48 0.48 3.58 3.84 -1.26 -4.87 114.94 125.09 3dgs s ASN 104 Ca 0.04 1.61 0.33 0.00 0.21 0.00 0.00 52.86 55.04 3dgs s ASN 104 Cb -0.21 -2.53 1.71 0.00 -0.55 0.00 0.00 41.25 39.67 3dgs s ASN 104 CO 0.08 -1.18 2.00 -0.65 -2.79 0.00 0.00 177.10 174.56 3dgs h PRO 105 N 10.27 0.00 -0.75 0.43 0.11 -1.92 -3.13 132.00 137.01 3dgs h PRO 105 Ca -0.32 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.24 3dgs h PRO 105 Cb 1.14 0.00 -0.43 0.00 0.11 0.00 0.00 31.00 31.82 3dgs h PRO 105 CO 1.00 0.00 -0.82 1.28 -0.21 0.00 0.00 178.00 179.25 3dgs n LEU 106 N -2.69 4.92 -0.36 2.35 4.77 -1.26 -0.13 117.00 124.61 3dgs n LEU 106 Ca -0.02 -4.75 0.07 0.00 -0.03 0.00 0.00 56.01 51.28 3dgs n LEU 106 Cb 0.10 -0.34 0.28 0.00 -2.33 0.00 0.00 43.42 41.12 3dgs n LEU 106 CO 0.17 2.11 0.70 -0.90 -1.33 0.00 0.00 177.39 178.13 3dgs n ASP 107 N -0.71 1.05 -1.37 -1.43 5.68 -1.18 -4.90 116.55 113.68 3dgs n ASP 107 Ca 0.44 -1.79 -0.18 0.00 -0.50 0.00 0.00 54.79 52.76 3dgs n ASP 107 Cb 0.97 -0.10 -0.08 0.00 -1.14 0.00 0.00 41.12 40.77 3dgs n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dgs n GLY 108 N 0.91 1.72 0.02 6.12 0.00 -1.10 -4.86 105.19 108.00 3dgs n GLY 108 Ca 0.11 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.23 3dgs n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dgs n THR 109 N -2.38 0.00 -2.95 2.61 -2.24 0.24 -3.80 114.28 105.76 3dgs n THR 109 Ca -0.18 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 3dgs n THR 109 Cb 0.64 -0.43 0.01 0.00 -2.10 0.00 0.00 70.33 68.45 3dgs n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dgs n TYR 110 N -1.24 -1.76 -1.72 4.78 9.36 0.36 -4.48 117.16 122.45 3dgs n TYR 110 Ca 0.14 -2.72 -0.43 0.00 3.32 0.00 0.00 57.90 58.21 3dgs n TYR 110 Cb 0.25 0.69 -0.02 0.00 -0.63 0.00 0.00 39.34 39.62 3dgs n TYR 110 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dgs n PRO 111 N 1.02 2.60 -1.45 2.98 -0.04 -1.25 -4.38 135.00 134.48 3dgs n PRO 111 Ca 0.15 0.93 -0.30 0.00 -0.04 0.00 0.00 63.50 64.24 3dgs n PRO 111 Cb 0.63 -2.72 0.10 0.00 -0.04 0.00 0.00 33.50 31.47 3dgs n PRO 111 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3dgs s PRO 112 N 0.14 1.94 -1.08 0.54 0.04 -1.26 -3.84 135.00 131.48 3dgs s PRO 112 Ca 0.69 0.73 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 3dgs s PRO 112 Cb -0.53 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.12 3dgs s PRO 112 CO 0.43 -1.75 0.94 0.41 0.04 0.00 0.00 177.00 177.07 3dgs n GLY 113 N -1.80 -0.26 3.32 0.56 0.00 0.21 -4.62 105.19 102.61 3dgs n GLY 113 Ca 0.07 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3dgs n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dgs s THR 114 N -3.27 0.04 0.14 2.61 -4.23 -0.69 -4.97 115.64 105.28 3dgs s THR 114 Ca 0.40 -1.65 -0.18 0.00 -1.18 0.00 0.00 61.69 59.07 3dgs s THR 114 Cb -0.18 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 3dgs s THR 114 CO 0.59 -0.17 1.75 -0.08 -0.54 0.00 0.00 174.62 176.17 3dgs h GLU 115 N 2.55 0.22 0.09 3.99 4.57 -1.95 -2.08 114.58 121.97 3dgs h GLU 115 Ca -0.32 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 57.87 3dgs h GLU 115 Cb 1.23 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 3dgs h GLU 115 CO 0.48 0.14 -0.30 0.37 -1.18 0.00 0.00 179.01 178.53 3dgs h GLN 116 N 0.22 -0.48 -3.73 1.92 4.15 -1.97 -3.36 115.11 111.87 3dgs h GLN 116 Ca 0.12 0.03 -0.63 0.00 0.77 0.00 0.00 58.65 58.93 3dgs h GLN 116 Cb 0.08 0.11 -0.40 0.00 0.21 0.00 0.00 27.48 27.47 3dgs h GLN 116 CO -0.11 -0.32 -0.69 1.21 -1.93 0.00 0.00 178.83 176.99 3dgs s ASN 117 N -4.81 4.30 0.00 -0.69 2.47 -1.06 -4.98 114.94 110.18 3dgs s ASN 117 Ca -0.16 -2.54 0.09 0.00 0.42 0.00 0.00 52.86 50.67 3dgs s ASN 117 Cb 0.08 -1.45 0.50 0.00 -1.45 0.00 0.00 41.25 38.93 3dgs s ASN 117 CO 0.65 -0.30 1.08 -0.81 -3.72 0.00 0.00 177.10 174.00 3dgs n PRO 118 N 3.71 0.20 -1.38 0.43 -0.04 -0.81 -0.52 135.00 136.60 3dgs n PRO 118 Ca 0.05 0.11 -0.35 0.00 -0.04 0.00 0.00 63.50 63.26 3dgs n PRO 118 Cb 0.37 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.43 3dgs n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dgs s ALA 119 N -2.30 2.06 0.09 0.55 0.00 -1.26 -4.45 121.76 116.46 3dgs s ALA 119 Ca 0.11 1.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.78 3dgs s ALA 119 Cb 0.06 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 3dgs s ALA 119 CO 0.12 -2.01 1.90 1.21 0.00 0.00 0.00 175.76 176.98 3dgs s ASN 120 N -1.81 6.42 0.00 0.00 2.47 -1.26 0.66 114.94 121.43 3dgs s ASN 120 Ca 0.78 2.74 0.23 0.00 0.42 0.00 0.00 52.86 57.02 3dgs s ASN 120 Cb -0.33 -2.55 0.97 0.00 -1.45 0.00 0.00 41.25 37.89 3dgs s ASN 120 CO 0.46 -1.03 1.72 -0.81 -3.72 0.00 0.00 177.10 173.72 3dgs n PRO 121 N 6.47 0.01 -3.73 0.43 -0.04 -1.26 -4.71 135.00 132.17 3dgs n PRO 121 Ca 0.19 0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 63.39 3dgs n PRO 121 Cb 0.39 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 3dgs n PRO 121 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3dgs s ASN 122 N -2.99 6.52 0.88 3.54 0.01 -1.26 -4.81 114.94 116.83 3dgs s ASN 122 Ca 0.11 0.62 -0.11 0.00 -0.71 0.00 0.00 52.86 52.77 3dgs s ASN 122 Cb 0.15 -2.14 0.12 0.00 0.41 0.00 0.00 41.25 39.79 3dgs s ASN 122 CO 0.41 0.35 1.09 -2.16 -1.51 0.00 0.00 177.10 175.28 3dgs s PRO 123 N -0.87 1.41 0.23 -0.60 0.04 -1.26 -4.70 135.00 129.25 3dgs s PRO 123 Ca 0.17 1.02 0.11 0.00 0.04 0.00 0.00 61.00 62.34 3dgs s PRO 123 Cb -0.13 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 3dgs s PRO 123 CO 0.07 -2.19 -0.18 -1.54 0.04 0.00 0.00 177.00 173.20 3dgs s SER 124 N -3.27 3.74 -0.23 6.66 1.04 -0.54 -4.95 113.70 116.16 3dgs s SER 124 Ca 0.63 -0.85 -0.03 0.00 0.48 0.00 0.00 55.95 56.18 3dgs s SER 124 Cb -0.19 -0.41 0.01 0.00 0.10 0.00 0.00 66.02 65.53 3dgs s SER 124 CO 0.57 0.08 -0.06 -0.76 0.98 0.00 0.00 173.24 174.05 3dgs s LEU 125 N -3.10 2.98 -0.11 2.42 1.02 -1.26 -0.96 118.68 119.67 3dgs s LEU 125 Ca 0.26 -0.61 -0.04 0.00 0.02 0.00 0.00 54.13 53.76 3dgs s LEU 125 Cb -0.07 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 3dgs s LEU 125 CO 0.14 -0.07 0.02 -1.61 0.02 0.00 0.00 176.35 174.85 3dgs s GLU 126 N 1.41 3.27 0.39 1.70 0.41 -0.32 -4.85 118.70 120.71 3dgs s GLU 126 Ca 0.04 -0.37 0.12 0.00 -0.41 0.00 0.00 54.97 54.34 3dgs s GLU 126 Cb -0.15 -2.92 0.80 0.00 -1.78 0.00 0.00 34.13 30.07 3dgs s GLU 126 CO -0.04 0.60 1.89 1.49 -0.49 0.00 0.00 175.26 178.70 3dgs h GLU 127 N 5.54 0.08 -4.47 1.61 4.22 -1.87 0.71 114.58 120.39 3dgs h GLU 127 Ca -0.47 -0.02 -0.19 0.00 0.08 0.00 0.00 59.36 58.75 3dgs h GLU 127 Cb 1.19 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 3dgs h GLU 127 CO 0.58 0.34 -0.66 -1.12 -2.18 0.00 0.00 179.01 175.97 3dgs s SER 128 N -6.94 0.57 0.26 1.04 0.01 -1.26 -4.70 113.70 102.68 3dgs s SER 128 Ca -0.04 -1.15 -0.30 0.00 1.31 0.00 0.00 55.95 55.78 3dgs s SER 128 Cb 0.15 0.23 -0.10 0.00 0.21 0.00 0.00 66.02 66.51 3dgs s SER 128 CO 0.72 -0.66 1.40 -1.00 0.41 0.00 0.00 173.24 174.12 3dgs s HIS 129 N -3.92 3.03 0.52 2.43 3.76 -1.26 -4.82 115.29 115.02 3dgs s HIS 129 Ca 0.20 1.12 -0.23 0.00 -0.15 0.00 0.00 55.06 56.01 3dgs s HIS 129 Cb 0.07 -3.78 -0.06 0.00 1.11 0.00 0.00 32.58 29.93 3dgs s HIS 129 CO -0.01 -2.45 1.38 -2.14 -0.85 0.00 0.00 174.74 170.67 3dgs s PRO 130 N -0.67 3.27 0.39 8.40 0.02 -1.26 -4.95 135.00 140.20 3dgs s PRO 130 Ca 0.57 2.28 -0.26 0.00 0.02 0.00 0.00 61.00 63.61 3dgs s PRO 130 Cb -0.41 -2.36 -0.09 0.00 0.02 0.00 0.00 34.50 31.67 3dgs s PRO 130 CO 0.45 -1.10 1.18 -0.51 -0.33 0.00 0.00 177.00 176.69 3dgs s LEU 131 N -3.33 4.24 -0.24 -5.54 1.43 -1.26 -4.26 118.68 109.71 3dgs s LEU 131 Ca 0.69 2.38 -0.06 0.00 -1.03 0.00 0.00 54.13 56.11 3dgs s LEU 131 Cb -0.41 -3.96 0.01 0.00 0.03 0.00 0.00 46.19 41.85 3dgs s LEU 131 CO 0.50 -0.63 0.31 0.59 0.23 0.00 0.00 176.35 177.34 3dgs n ASN 132 N 0.21 -4.92 -4.14 2.29 3.02 -1.26 -4.83 115.26 105.62 3dgs n ASN 132 Ca 0.04 0.21 -0.17 0.00 -0.03 0.00 0.00 54.58 54.62 3dgs n ASN 132 Cb 0.46 -3.16 -0.12 0.00 -0.61 0.00 0.00 39.78 36.35 3dgs n ASN 132 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3dgs s THR 133 N -2.04 0.99 0.08 3.41 -4.23 -1.26 -4.51 115.64 108.09 3dgs s THR 133 Ca 0.10 -1.22 0.08 0.00 -1.18 0.00 0.00 61.69 59.47 3dgs s THR 133 Cb -0.03 -0.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 3dgs s THR 133 CO 0.38 -0.23 -0.21 0.72 -0.54 0.00 0.00 174.62 174.74 3dgs s PHE 134 N -1.24 1.80 -0.16 3.99 -0.71 0.07 -1.80 117.98 119.93 3dgs s PHE 134 Ca -0.03 -0.40 -0.19 0.00 -1.04 0.00 0.00 56.93 55.27 3dgs s PHE 134 Cb -0.10 -1.02 -0.04 0.00 -1.21 0.00 0.00 43.02 40.66 3dgs s PHE 134 CO 0.02 0.17 0.52 -1.64 -1.34 0.00 0.00 175.22 172.95 3dgs s MET 135 N -1.66 4.26 -0.15 1.99 -1.94 0.29 -0.99 119.30 121.10 3dgs s MET 135 Ca 0.07 0.47 -0.04 0.00 -1.71 0.00 0.00 55.69 54.49 3dgs s MET 135 Cb -0.10 -3.51 0.05 0.00 2.01 0.00 0.00 34.83 33.29 3dgs s MET 135 CO 0.03 -0.03 0.06 0.12 -0.01 0.00 0.00 175.02 175.19 3dgs s PHE 136 N 1.24 0.48 -1.47 -0.03 5.36 -0.28 -1.55 117.98 121.73 3dgs s PHE 136 Ca 0.26 -0.41 -0.07 0.00 -0.96 0.00 0.00 56.93 55.75 3dgs s PHE 136 Cb -0.15 -0.78 0.03 0.00 -0.34 0.00 0.00 43.02 41.77 3dgs s PHE 136 CO 0.10 -0.49 0.73 1.04 -1.46 0.00 0.00 175.22 175.14 3dgs n GLN 137 N 5.20 -5.24 -0.72 10.12 6.02 -1.26 -1.26 117.38 130.24 3dgs n GLN 137 Ca -0.07 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 3dgs n GLN 137 Cb 0.49 -5.66 0.00 0.00 1.02 0.00 0.00 30.24 26.09 3dgs n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dgs n GLY 138 N -1.57 1.50 3.92 1.08 0.00 -1.26 -5.01 105.19 103.85 3dgs n GLY 138 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3dgs n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dgs s ASN 139 N -3.25 6.34 -0.31 1.61 0.01 -0.39 -5.08 114.94 113.88 3dgs s ASN 139 Ca 0.00 0.24 -0.06 0.00 -0.71 0.00 0.00 52.86 52.33 3dgs s ASN 139 Cb 0.00 -1.94 0.02 0.00 0.41 0.00 0.00 41.25 39.74 3dgs s ASN 139 CO 0.00 0.14 0.08 -0.60 -1.51 0.00 0.00 177.10 175.21 3dgs s ARG 140 N -2.70 2.85 0.18 -0.60 3.52 -1.26 -1.13 118.95 119.81 3dgs s ARG 140 Ca 0.35 -1.02 0.05 0.00 -0.13 0.00 0.00 55.73 54.98 3dgs s ARG 140 Cb -0.12 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3dgs s ARG 140 CO 0.28 -0.54 0.17 -0.06 -0.81 0.00 0.00 175.30 174.34 3dgs s PHE 141 N 1.44 3.19 -0.04 5.12 0.08 -0.16 -0.20 117.98 127.40 3dgs s PHE 141 Ca 0.00 -0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.05 3dgs s PHE 141 Cb -0.18 -1.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 3dgs s PHE 141 CO 0.02 0.52 -0.07 0.50 -0.10 0.00 0.00 175.22 176.09 3dgs s ARG 142 N -3.32 0.98 -0.25 0.44 3.52 -0.32 -0.75 118.95 119.24 3dgs s ARG 142 Ca 0.32 -0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 55.65 3dgs s ARG 142 Cb -0.10 -0.92 -0.01 0.00 -1.56 0.00 0.00 34.95 32.37 3dgs s ARG 142 CO 0.24 0.00 0.02 1.21 -0.81 0.00 0.00 175.30 175.97 3dgs s ASN 143 N 0.61 4.78 -0.44 -2.12 2.47 -1.26 -1.61 114.94 117.37 3dgs s ASN 143 Ca -0.09 -0.48 0.03 0.00 0.42 0.00 0.00 52.86 52.74 3dgs s ASN 143 Cb -0.12 -1.83 0.12 0.00 -1.45 0.00 0.00 41.25 37.97 3dgs s ASN 143 CO 0.01 -0.09 0.18 -0.13 -3.72 0.00 0.00 177.10 173.35 3dgs s ARG 144 N 1.51 1.81 -1.37 0.43 0.52 0.00 -4.81 118.95 117.04 3dgs s ARG 144 Ca 0.04 -2.25 -0.05 0.00 -0.52 0.00 0.00 55.73 52.95 3dgs s ARG 144 Cb -0.16 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.00 3dgs s ARG 144 CO 0.00 -1.04 0.44 1.04 0.02 0.00 0.00 175.30 175.76 3dgs n GLN 145 N 3.71 -2.55 -0.39 3.54 6.02 -1.26 -0.84 117.38 125.60 3dgs n GLN 145 Ca 0.04 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 3dgs n GLN 145 Cb 0.37 -4.25 0.00 0.00 1.02 0.00 0.00 30.24 27.39 3dgs n GLN 145 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dgs n GLY 146 N -2.01 1.15 3.42 1.08 0.00 -1.26 -5.02 105.19 102.54 3dgs n GLY 146 Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 3dgs n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dgs s ALA 147 N -2.99 3.17 -0.16 4.61 0.00 -0.02 -5.08 121.76 121.29 3dgs s ALA 147 Ca 0.00 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.53 3dgs s ALA 147 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 3dgs s ALA 147 CO 0.00 -0.71 0.35 -0.51 0.00 0.00 0.00 175.76 174.89 3dgs s LEU 148 N 1.59 4.24 0.18 0.00 1.43 -1.26 -0.82 118.68 124.04 3dgs s LEU 148 Ca 0.05 0.57 0.09 0.00 -1.03 0.00 0.00 54.13 53.81 3dgs s LEU 148 Cb -0.16 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 3dgs s LEU 148 CO 0.04 0.05 -0.18 0.42 0.23 0.00 0.00 176.35 176.91 3dgs s THR 149 N 0.63 1.90 0.01 5.49 -4.23 -0.63 -0.65 115.64 118.16 3dgs s THR 149 Ca 0.19 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.73 3dgs s THR 149 Cb -0.14 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 3dgs s THR 149 CO 0.06 -0.34 -0.10 0.54 -0.54 0.00 0.00 174.62 174.24 3dgs s VAL 150 N -2.17 0.80 -0.04 2.29 0.11 0.17 -1.18 120.40 120.38 3dgs s VAL 150 Ca 0.18 -0.66 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 3dgs s VAL 150 Cb -0.05 -0.72 -0.06 0.00 -1.53 0.00 0.00 36.38 34.03 3dgs s VAL 150 CO 0.07 0.06 1.61 -0.47 -3.33 0.00 0.00 175.10 173.04 3dgs s TYR 151 N -0.57 2.16 -0.36 1.54 5.04 0.72 -0.50 117.35 125.38 3dgs s TYR 151 Ca 0.01 0.31 0.07 0.00 -2.44 0.00 0.00 57.07 55.03 3dgs s TYR 151 Cb -0.06 -3.87 0.44 0.00 0.35 0.00 0.00 41.96 38.83 3dgs s TYR 151 CO 0.00 -3.59 1.14 0.25 -1.34 0.00 0.00 175.55 172.02 3dgs n THR 152 N 5.32 2.35 0.00 4.34 -2.24 -0.22 -4.70 114.28 119.13 3dgs n THR 152 Ca 0.16 -4.45 0.00 0.00 -2.27 0.00 0.00 64.05 57.49 3dgs n THR 152 Cb 0.43 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 3dgs n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dgs n GLY 153 N -0.57 -0.98 3.94 3.38 0.00 -1.19 -4.33 105.19 105.44 3dgs n GLY 153 Ca 0.39 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 3dgs n GLY 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dgs s THR 154 N -1.34 3.58 -0.32 2.61 -4.23 -1.26 -1.36 115.64 113.32 3dgs s THR 154 Ca 0.00 -0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.20 3dgs s THR 154 Cb 0.00 -3.37 0.14 0.00 1.34 0.00 0.00 72.50 70.61 3dgs s THR 154 CO 0.00 -0.32 0.32 -0.69 -0.54 0.00 0.00 174.62 173.39 3dgs s VAL 155 N -2.79 -0.36 -0.88 2.29 1.01 -0.20 -4.83 120.40 114.64 3dgs s VAL 155 Ca 0.52 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 3dgs s VAL 155 Cb -0.10 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 3dgs s VAL 155 CO 0.41 -0.53 1.94 -0.89 0.00 0.00 0.00 175.10 176.04 3dgs s THR 156 N 2.00 3.44 -1.07 3.92 2.01 -1.26 -2.38 115.64 122.30 3dgs s THR 156 Ca 0.12 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 3dgs s THR 156 Cb -0.15 -3.99 0.30 0.00 0.01 0.00 0.00 72.50 68.68 3dgs s THR 156 CO -0.22 -0.93 1.67 0.00 -0.69 0.00 0.00 174.62 174.45 3dgs n GLN 157 N 8.88 4.87 -2.57 4.92 1.13 -0.88 -4.97 117.38 128.76 3dgs n GLN 157 Ca 0.39 -4.54 -0.43 0.00 -1.94 0.00 0.00 57.00 50.48 3dgs n GLN 157 Cb 0.47 -2.51 -0.02 0.00 0.11 0.00 0.00 30.24 28.29 3dgs n GLN 157 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3dgs s GLY 158 N -1.47 1.25 -0.32 1.08 0.00 -1.24 -4.26 107.32 102.36 3dgs s GLY 158 Ca 0.35 -0.48 0.09 0.00 0.00 0.00 0.00 44.72 44.68 3dgs s GLY 158 CO 0.00 2.47 1.77 -0.37 0.00 0.00 0.00 173.10 176.97 3dgs n THR 159 N 6.87 2.83 -1.77 0.90 5.66 -1.26 -4.83 114.28 122.68 3dgs n THR 159 Ca 0.12 -1.55 0.00 0.00 -3.05 0.00 0.00 64.05 59.58 3dgs n THR 159 Cb 0.49 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 3dgs n THR 159 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3dgs n ASP 160 N -0.17 -6.73 0.00 1.09 10.43 -1.26 -4.92 116.55 114.99 3dgs n ASP 160 Ca 0.40 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.87 3dgs n ASP 160 Cb 1.36 -3.65 0.00 0.00 1.84 0.00 0.00 41.12 40.67 3dgs n ASP 160 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 3dgs n PRO 161 N 1.17 0.00 0.00 -0.24 -0.04 -1.26 -5.07 135.00 129.56 3dgs n PRO 161 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3dgs n PRO 161 Cb 0.00 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 3dgs n PRO 161 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3dgs n VAL 162 N 0.00 0.00 -3.89 0.52 3.14 -1.26 -4.91 118.33 111.93 3dgs n VAL 162 Ca 0.00 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.08 3dgs n VAL 162 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 3dgs n VAL 162 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3dgs s LYS 163 N 0.00 3.46 -0.26 1.45 1.02 -1.26 -4.88 119.74 119.28 3dgs s LYS 163 Ca 0.00 -0.43 -0.02 0.00 0.02 0.00 0.00 55.97 55.53 3dgs s LYS 163 Cb 0.00 -2.99 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 3dgs s LYS 163 CO 0.00 0.56 -0.03 0.99 -0.92 0.00 0.00 175.35 175.95 3dgs s THR 164 N -1.60 3.07 0.09 2.17 2.01 -1.26 -2.08 115.64 118.04 3dgs s THR 164 Ca 0.36 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 3dgs s THR 164 Cb -0.12 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 3dgs s THR 164 CO 0.28 0.15 0.26 -0.31 -0.69 0.00 0.00 174.62 174.31 3dgs s TYR 165 N 1.35 3.51 -0.37 4.92 2.02 -1.00 -4.77 117.35 123.01 3dgs s TYR 165 Ca 0.00 0.32 -0.11 0.00 -0.37 0.00 0.00 57.07 56.92 3dgs s TYR 165 Cb -0.17 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 3dgs s TYR 165 CO -0.03 0.54 0.20 0.71 -1.57 0.00 0.00 175.55 175.41 3dgs s TYR 166 N -1.56 3.24 0.01 2.71 1.51 0.25 -1.03 117.35 122.47 3dgs s TYR 166 Ca 0.37 -0.92 -0.30 0.00 -1.01 0.00 0.00 57.07 55.21 3dgs s TYR 166 Cb -0.13 -2.44 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 3dgs s TYR 166 CO 0.27 -0.63 1.19 -1.14 -1.11 0.00 0.00 175.55 174.13 3dgs s GLN 167 N 1.56 4.40 -0.24 -0.62 0.74 -0.47 -1.17 119.66 123.87 3dgs s GLN 167 Ca 0.02 1.71 0.02 0.00 0.05 0.00 0.00 55.36 57.16 3dgs s GLN 167 Cb -0.19 -3.45 0.05 0.00 1.10 0.00 0.00 33.01 30.52 3dgs s GLN 167 CO 0.07 -0.33 -0.13 0.71 -0.55 0.00 0.00 175.29 175.06 3dgs s TYR 168 N 1.58 3.13 -0.11 1.67 1.51 -0.13 -1.05 117.35 123.95 3dgs s TYR 168 Ca 0.57 -2.11 -0.12 0.00 -1.01 0.00 0.00 57.07 54.40 3dgs s TYR 168 Cb -0.27 -1.94 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 3dgs s TYR 168 CO 0.26 -0.85 0.28 0.99 -1.11 0.00 0.00 175.55 175.11 3dgs s THR 169 N 1.16 5.29 0.27 -0.71 2.01 0.35 -1.46 115.64 122.55 3dgs s THR 169 Ca -0.05 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 3dgs s THR 169 Cb -0.18 -3.59 -0.11 0.00 0.01 0.00 0.00 72.50 68.62 3dgs s THR 169 CO -0.07 0.49 1.62 -2.16 -0.69 0.00 0.00 174.62 173.82 3dgs s PRO 170 N -0.27 4.12 0.21 4.92 0.04 -1.26 0.42 135.00 143.17 3dgs s PRO 170 Ca 0.18 2.59 -0.30 0.00 0.04 0.00 0.00 61.00 63.50 3dgs s PRO 170 Cb -0.14 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.28 3dgs s PRO 170 CO 0.06 -0.66 1.29 0.08 0.04 0.00 0.00 177.00 177.81 3dgs s VAL 171 N 0.25 3.22 -0.12 -0.36 1.01 0.17 -4.83 120.40 119.74 3dgs s VAL 171 Ca 0.66 1.02 0.17 0.00 0.00 0.00 0.00 61.98 63.83 3dgs s VAL 171 Cb -0.48 -3.65 0.27 0.00 0.00 0.00 0.00 36.38 32.52 3dgs s VAL 171 CO 0.45 0.16 1.14 -1.54 0.00 0.00 0.00 175.10 175.31 3dgs n SER 172 N 2.50 2.09 -4.61 3.32 3.41 0.82 -4.69 113.62 116.46 3dgs n SER 172 Ca 0.05 -3.04 -0.38 0.00 -0.26 0.00 0.00 58.87 55.24 3dgs n SER 172 Cb 0.43 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 3dgs n SER 172 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dgs s SER 173 N -2.73 6.17 0.21 4.04 0.15 -1.01 -0.49 113.70 120.04 3dgs s SER 173 Ca 0.30 0.18 -0.08 0.00 0.70 0.00 0.00 55.95 57.04 3dgs s SER 173 Cb 0.26 -2.17 0.16 0.00 -1.71 0.00 0.00 66.02 62.56 3dgs s SER 173 CO 0.02 -0.11 1.80 0.50 1.20 0.00 0.00 173.24 176.65 3dgs h LYS 174 N 8.14 1.15 -0.74 5.44 1.63 -1.88 -2.64 116.57 127.67 3dgs h LYS 174 Ca -0.34 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.27 3dgs h LYS 174 Cb 1.17 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 32.56 3dgs h LYS 174 CO 0.61 0.90 0.41 0.00 -3.45 0.00 0.00 179.45 177.92 3dgs h ALA 175 N 1.19 1.33 -0.17 5.00 0.00 -1.95 0.21 119.26 124.88 3dgs h ALA 175 Ca 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3dgs h ALA 175 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3dgs h ALA 175 CO -0.03 0.55 0.01 1.98 0.00 0.00 0.00 179.25 181.76 3dgs h MET 176 N 1.03 0.29 -0.45 0.00 1.85 -1.86 -1.28 114.93 114.52 3dgs h MET 176 Ca 0.26 -0.09 -0.10 0.00 -0.61 0.00 0.00 59.70 59.16 3dgs h MET 176 Cb 0.01 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.00 3dgs h MET 176 CO -0.04 0.50 -0.12 1.88 -0.40 0.00 0.00 176.91 178.72 3dgs h TYR 177 N 0.05 0.91 -0.09 1.39 0.05 -1.27 -1.34 116.97 116.67 3dgs h TYR 177 Ca 0.05 -0.17 0.03 0.00 0.05 0.00 0.00 58.73 58.69 3dgs h TYR 177 Cb 0.36 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 3dgs h TYR 177 CO 0.03 0.89 -0.11 -0.44 -1.05 0.00 0.00 178.16 177.49 3dgs h ASP 178 N 0.74 -0.33 -0.22 3.88 3.32 -0.37 0.43 116.42 123.88 3dgs h ASP 178 Ca 0.12 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.29 3dgs h ASP 178 Cb 0.62 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 3dgs h ASP 178 CO 0.04 -0.15 -0.15 0.00 -1.72 0.00 0.00 179.24 177.26 3dgs h ALA 179 N 0.92 0.00 0.24 3.45 0.00 -1.00 0.22 119.26 123.09 3dgs h ALA 179 Ca 0.07 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3dgs h ALA 179 Cb 0.24 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3dgs h ALA 179 CO -0.18 -0.58 -0.32 -0.92 0.00 0.00 0.00 179.25 177.25 3dgs h TYR 180 N -0.15 -0.87 -0.29 0.00 3.20 -0.65 -0.63 116.97 117.57 3dgs h TYR 180 Ca 0.13 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3dgs h TYR 180 Cb 0.34 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 3dgs h TYR 180 CO -0.31 -0.45 0.17 -1.49 -1.64 0.00 0.00 178.16 174.44 3dgs h TRP 181 N -0.62 0.37 -0.04 -3.82 6.55 0.25 -0.30 115.95 118.34 3dgs h TRP 181 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.85 3dgs h TRP 181 Cb 0.60 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 3dgs h TRP 181 CO -0.23 0.25 0.00 0.09 -1.05 0.00 0.00 178.44 177.50 3dgs n ASN 182 N -4.48 0.22 -0.42 -3.49 3.02 0.73 -4.88 115.26 105.97 3dgs n ASN 182 Ca 0.01 -1.84 -0.06 0.00 -0.03 0.00 0.00 54.58 52.67 3dgs n ASN 182 Cb 0.08 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 3dgs n ASN 182 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dgs n GLY 183 N 0.64 0.80 0.04 7.41 0.00 -0.12 -4.92 105.19 109.05 3dgs n GLY 183 Ca 0.05 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.44 3dgs n GLY 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dgs n LYS 184 N -2.74 0.06 -0.19 1.61 4.76 -0.29 -2.51 118.16 118.86 3dgs n LYS 184 Ca -0.06 0.28 0.07 0.00 -2.87 0.00 0.00 58.31 55.74 3dgs n LYS 184 Cb 0.19 -1.61 0.16 0.00 -1.84 0.00 0.00 35.03 31.93 3dgs n LYS 184 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3dgs n PHE 185 N -1.73 0.36 -0.19 2.13 3.72 -1.26 -4.37 117.46 116.13 3dgs n PHE 185 Ca 0.03 -0.81 0.28 0.00 -0.05 0.00 0.00 57.45 56.90 3dgs n PHE 185 Cb 0.21 -0.17 0.71 0.00 -0.94 0.00 0.00 39.48 39.29 3dgs n PHE 185 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dgs h ARG 186 N 0.84 0.02 0.00 -1.08 3.08 -1.83 0.98 114.38 116.40 3dgs h ARG 186 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dgs h ARG 186 Cb 1.02 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3dgs h ARG 186 CO 0.07 0.01 0.00 -0.40 -1.07 0.00 0.00 179.97 178.59 3dgs n ASP 187 N -4.28 0.19 0.00 7.04 5.75 -1.26 -4.53 116.55 119.46 3dgs n ASP 187 Ca 0.19 0.53 0.00 0.00 -0.01 0.00 0.00 54.79 55.49 3dgs n ASP 187 Cb 0.96 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 3dgs n ASP 187 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3dgs n VAL 188 N -1.69 0.00 0.29 2.12 0.24 0.08 -4.91 118.33 114.47 3dgs n VAL 188 Ca 0.06 0.00 0.19 0.00 -2.04 0.00 0.00 64.34 62.54 3dgs n VAL 188 Cb 0.31 0.00 0.96 0.00 -1.47 0.00 0.00 33.84 33.64 3dgs n VAL 188 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dgs h ALA 189 N 0.00 1.00 -0.18 2.33 0.00 -1.15 -2.74 119.26 118.51 3dgs h ALA 189 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3dgs h ALA 189 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3dgs h ALA 189 CO 0.00 0.00 -0.11 1.19 0.00 0.00 0.00 179.25 180.33 3dgs n PHE 190 N -2.83 0.60 -3.14 0.00 3.72 -1.26 -4.65 117.46 109.90 3dgs n PHE 190 Ca -0.02 -1.26 -0.31 0.00 -0.05 0.00 0.00 57.45 55.81 3dgs n PHE 190 Cb 0.10 -0.32 -0.05 0.00 -0.94 0.00 0.00 39.48 38.27 3dgs n PHE 190 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3dgs s HIS 191 N -3.05 3.43 -0.07 1.38 2.46 -1.04 -5.10 115.29 113.31 3dgs s HIS 191 Ca 0.40 1.00 0.05 0.00 0.47 0.00 0.00 55.06 56.97 3dgs s HIS 191 Cb 0.35 -2.38 -0.02 0.00 -0.13 0.00 0.00 32.58 30.41 3dgs s HIS 191 CO 0.02 0.08 -0.20 -1.12 -2.47 0.00 0.00 174.74 171.04 3dgs s SER 192 N -2.71 3.47 0.00 9.88 0.01 -1.26 -4.74 113.70 118.35 3dgs s SER 192 Ca 0.50 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.36 3dgs s SER 192 Cb -0.11 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.18 3dgs s SER 192 CO 0.25 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.77 3dgs n GLY 193 N 2.85 0.77 1.68 3.44 0.00 -1.26 -4.92 105.19 107.75 3dgs n GLY 193 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3dgs n GLY 193 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dgs n PHE 194 N 0.00 0.00 0.00 1.61 7.35 -1.26 -4.75 117.46 120.41 3dgs n PHE 194 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3dgs n PHE 194 Cb 0.00 -0.52 0.00 0.00 0.35 0.00 0.00 39.48 39.31 3dgs n PHE 194 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3dgs n ASN 195 N 1.68 0.00 -4.97 -2.13 2.85 -1.26 -5.16 115.26 106.27 3dgs n ASN 195 Ca 0.00 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.28 3dgs n ASN 195 Cb 0.10 0.16 0.04 0.00 1.24 0.00 0.00 39.78 41.32 3dgs n ASN 195 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3dgs s GLU 196 N -1.56 2.50 0.00 1.20 8.01 -1.26 -5.14 118.70 122.46 3dgs s GLU 196 Ca 0.00 -1.22 0.00 0.00 0.01 0.00 0.00 54.97 53.76 3dgs s GLU 196 Cb 0.00 -2.62 0.00 0.00 -4.31 0.00 0.00 34.13 27.20 3dgs s GLU 196 CO 0.00 -0.65 0.00 -0.25 0.01 0.00 0.00 175.26 174.37 3dgs n ASP 197 N -2.17 0.00 -4.74 -0.19 8.00 -1.26 -4.90 116.55 111.29 3dgs n ASP 197 Ca 0.11 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.21 3dgs n ASP 197 Cb 0.60 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.65 3dgs n ASP 197 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3dgs s PRO 198 N 2.86 4.58 0.49 -0.24 0.04 -1.26 -4.73 135.00 136.74 3dgs s PRO 198 Ca 0.00 1.20 -0.22 0.00 0.04 0.00 0.00 61.00 62.02 3dgs s PRO 198 Cb 0.00 -3.35 -0.07 0.00 0.04 0.00 0.00 34.50 31.12 3dgs s PRO 198 CO 0.00 0.31 1.17 -0.51 0.04 0.00 0.00 177.00 178.01 3dgs s LEU 199 N -0.24 3.92 -0.28 -3.56 1.43 -0.74 -4.62 118.68 114.59 3dgs s LEU 199 Ca 0.41 2.30 -0.12 0.00 -1.03 0.00 0.00 54.13 55.69 3dgs s LEU 199 Cb -0.22 -4.35 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 3dgs s LEU 199 CO 0.26 -1.06 0.24 -0.69 0.23 0.00 0.00 176.35 175.32 3dgs s VAL 200 N -1.59 5.28 0.46 -1.59 1.01 -1.26 0.11 120.40 122.81 3dgs s VAL 200 Ca 0.67 0.27 -0.24 0.00 0.00 0.00 0.00 61.98 62.67 3dgs s VAL 200 Cb -0.28 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 3dgs s VAL 200 CO 0.33 0.23 1.36 0.00 0.00 0.00 0.00 175.10 177.02 3dgs s ALA 201 N 1.84 3.11 0.14 5.51 0.00 -0.59 -4.92 121.76 126.85 3dgs s ALA 201 Ca 0.09 1.33 -0.10 0.00 0.00 0.00 0.00 51.96 53.28 3dgs s ALA 201 Cb -0.16 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 3dgs s ALA 201 CO 0.11 -1.10 1.44 1.49 0.00 0.00 0.00 175.76 177.69 3dgs h GLU 202 N 2.17 0.86 -6.19 0.00 4.81 -1.90 -3.42 114.58 110.90 3dgs h GLU 202 Ca -0.50 -0.52 -0.57 0.00 -0.13 0.00 0.00 59.36 57.64 3dgs h GLU 202 Cb 1.27 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 3dgs h GLU 202 CO 0.60 1.16 0.66 -0.47 -0.73 0.00 0.00 179.01 180.23 3dgs s TYR 203 N -4.19 3.44 -0.16 0.92 5.04 -1.26 -4.92 117.35 116.22 3dgs s TYR 203 Ca -0.10 1.54 0.16 0.00 -2.44 0.00 0.00 57.07 56.23 3dgs s TYR 203 Cb 0.11 -3.23 0.34 0.00 0.35 0.00 0.00 41.96 39.53 3dgs s TYR 203 CO 0.88 -0.35 1.18 1.04 -1.34 0.00 0.00 175.55 176.96 3dgs n GLN 204 N 5.51 1.41 0.00 4.97 1.13 -1.26 -4.83 117.38 124.31 3dgs n GLN 204 Ca 0.10 -2.81 0.00 0.00 -1.94 0.00 0.00 57.00 52.35 3dgs n GLN 204 Cb 0.48 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.28 3dgs n GLN 204 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dgs n GLY 205 N -1.32 2.10 3.77 1.08 0.00 -1.26 -4.76 105.19 104.80 3dgs n GLY 205 Ca 0.17 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 3dgs n GLY 205 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dgs s GLN 206 N -2.35 4.45 0.31 1.61 0.74 -1.26 -4.78 119.66 118.37 3dgs s GLN 206 Ca 0.00 1.67 -0.28 0.00 0.05 0.00 0.00 55.36 56.80 3dgs s GLN 206 Cb 0.00 -2.92 -0.09 0.00 1.10 0.00 0.00 33.01 31.09 3dgs s GLN 206 CO 0.00 0.07 1.13 -1.17 -0.55 0.00 0.00 175.29 174.77 3dgs s LEU 207 N -1.94 4.46 0.00 3.68 2.96 -1.26 -0.34 118.68 126.24 3dgs s LEU 207 Ca 0.50 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 3dgs s LEU 207 Cb -0.28 -3.72 0.00 0.00 0.50 0.00 0.00 46.19 42.69 3dgs s LEU 207 CO 0.35 -0.28 0.00 -0.24 -1.32 0.00 0.00 176.35 174.86 3dgs n SER 208 N 0.91 0.00 -4.01 3.68 2.88 -0.62 -4.83 113.62 111.63 3dgs n SER 208 Ca 0.00 -0.92 -0.15 0.00 -1.33 0.00 0.00 58.87 56.47 3dgs n SER 208 Cb 0.45 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.78 3dgs n SER 208 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3dgs s TYR 209 N -7.47 0.61 -0.26 0.66 1.51 -1.26 -1.14 117.35 110.00 3dgs s TYR 209 Ca 0.00 -0.25 -0.10 0.00 -1.01 0.00 0.00 57.07 55.70 3dgs s TYR 209 Cb 0.00 -0.38 -0.05 0.00 -0.11 0.00 0.00 41.96 41.42 3dgs s TYR 209 CO 0.00 -0.03 0.17 -0.51 -1.11 0.00 0.00 175.55 174.06 3dgs s LEU 210 N -0.70 3.97 0.84 -1.29 1.02 0.53 -4.91 118.68 118.15 3dgs s LEU 210 Ca -0.02 -0.00 -0.11 0.00 0.02 0.00 0.00 54.13 54.02 3dgs s LEU 210 Cb -0.05 -2.09 0.10 0.00 0.02 0.00 0.00 46.19 44.17 3dgs s LEU 210 CO 0.00 -0.01 1.15 -2.84 0.02 0.00 0.00 176.35 174.66 3dgs s PRO 211 N 1.54 1.53 0.10 1.29 0.02 -1.26 -1.64 135.00 136.57 3dgs s PRO 211 Ca 0.07 1.50 0.01 0.00 0.02 0.00 0.00 61.00 62.60 3dgs s PRO 211 Cb -0.15 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3dgs s PRO 211 CO 0.08 -2.24 -0.05 -0.65 -0.33 0.00 0.00 177.00 173.81 3dgs s GLN 212 N -4.56 0.83 0.91 5.54 -1.52 -1.26 -4.58 119.66 115.02 3dgs s GLN 212 Ca 0.67 -1.34 -0.13 0.00 -1.95 0.00 0.00 55.36 52.61 3dgs s GLN 212 Cb -0.23 -0.13 0.18 0.00 -0.22 0.00 0.00 33.01 32.62 3dgs s GLN 212 CO 0.55 -0.05 1.26 -1.25 -0.25 0.00 0.00 175.29 175.55 3dgs s PRO 213 N -3.86 0.86 0.52 2.91 0.04 -1.26 -0.01 135.00 134.21 3dgs s PRO 213 Ca 0.13 -0.54 -0.22 0.00 0.04 0.00 0.00 61.00 60.40 3dgs s PRO 213 Cb 0.06 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 3dgs s PRO 213 CO -0.05 -2.21 1.30 -2.14 0.04 0.00 0.00 177.00 173.94 3dgs s PRO 214 N -5.74 3.30 0.34 0.56 0.02 -1.26 -4.69 135.00 127.53 3dgs s PRO 214 Ca 0.72 2.09 0.10 0.00 0.02 0.00 0.00 61.00 63.93 3dgs s PRO 214 Cb -0.04 -2.28 0.62 0.00 0.02 0.00 0.00 34.50 32.82 3dgs s PRO 214 CO 0.51 -1.02 1.79 0.28 -0.33 0.00 0.00 177.00 178.24 3dgs h VAL 215 N 1.53 1.27 -0.95 3.83 2.07 -0.78 -2.90 116.25 120.33 3dgs h VAL 215 Ca -0.50 -1.31 -0.65 0.00 0.82 0.00 0.00 66.70 65.06 3dgs h VAL 215 Cb 1.29 1.62 -0.32 0.00 -1.52 0.00 0.00 31.29 32.35 3dgs h VAL 215 CO 0.58 0.38 0.46 -0.46 0.02 0.00 0.00 177.57 178.55 3dgs n ASN 216 N -4.09 7.03 0.00 0.57 6.94 -1.26 -5.10 115.26 119.34 3dgs n ASN 216 Ca -0.01 -3.78 0.00 0.00 -0.02 0.00 0.00 54.58 50.76 3dgs n ASN 216 Cb 0.42 -0.82 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 3dgs n ASN 216 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23