#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nin n THR 2 N 0.00 -0.01 -2.69 2.62 5.66 -0.20 -4.57 114.28 115.10 1nin n THR 2 Ca 0.00 -0.46 -0.38 0.00 -3.05 0.00 0.00 64.05 60.17 1nin n THR 2 Cb 0.00 -0.99 -0.06 0.00 -1.55 0.00 0.00 70.33 67.74 1nin n THR 2 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1nin s TYR 3 N 7.24 3.62 -1.02 1.09 2.02 -1.20 -4.57 117.35 124.53 1nin s TYR 3 Ca 1.17 1.76 -0.19 0.00 -0.37 0.00 0.00 57.07 59.44 1nin s TYR 3 Cb -0.62 -3.02 -0.09 0.00 -0.40 0.00 0.00 41.96 37.83 1nin s TYR 3 CO 0.38 -0.04 2.04 -2.37 -1.57 0.00 0.00 175.55 173.99 1nin n THR 4 N 0.61 2.42 -1.60 -0.71 5.66 -1.26 -0.24 114.28 119.16 1nin n THR 4 Ca 0.02 -2.09 -0.41 0.00 -3.05 0.00 0.00 64.05 58.52 1nin n THR 4 Cb 0.49 -2.42 -0.01 0.00 -1.55 0.00 0.00 70.33 66.84 1nin n THR 4 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1nin n VAL 5 N 5.65 3.83 -1.00 1.08 0.31 -0.78 -4.80 118.33 122.62 1nin n VAL 5 Ca 0.51 -2.92 -0.36 0.00 -0.01 0.00 0.00 64.34 61.56 1nin n VAL 5 Cb 0.39 -2.60 0.05 0.00 -0.91 0.00 0.00 33.84 30.78 1nin n VAL 5 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1nin n LYS 6 N 5.03 -0.04 -0.37 5.55 5.02 -1.25 -4.22 118.16 127.88 1nin n LYS 6 Ca 0.62 -0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.94 1nin n LYS 6 Cb 0.33 -1.18 0.18 0.00 -0.02 0.00 0.00 35.03 34.34 1nin n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nin n LEU 7 N 2.45 2.95 0.00 -0.35 4.77 0.76 -3.57 117.00 124.01 1nin n LEU 7 Ca 0.01 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.49 1nin n LEU 7 Cb 0.55 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1nin n LEU 7 CO 0.53 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1nin n GLY 8 N 0.37 -0.51 2.06 -0.72 0.00 -1.09 -4.49 105.19 100.82 1nin n GLY 8 Ca 0.12 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 1nin n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nin n SER 9 N -1.40 -2.52 -0.01 1.61 2.88 0.80 -3.00 113.62 111.99 1nin n SER 9 Ca 0.00 0.03 -0.01 0.00 -1.33 0.00 0.00 58.87 57.56 1nin n SER 9 Cb 0.00 -1.04 -0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1nin n SER 9 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nin n ASP 10 N 1.55 0.40 -0.04 -3.46 5.75 -1.26 -4.81 116.55 114.69 1nin n ASP 10 Ca -0.03 0.06 -0.04 0.00 -0.01 0.00 0.00 54.79 54.78 1nin n ASP 10 Cb 0.29 -0.36 -0.06 0.00 -1.03 0.00 0.00 41.12 39.97 1nin n ASP 10 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1nin n LYS 11 N -2.89 2.48 -3.49 0.11 0.00 -1.26 -4.86 118.16 108.24 1nin n LYS 11 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 58.02 1nin n LYS 11 Cb 0.08 -1.19 -0.09 0.00 0.00 0.00 0.00 35.03 33.83 1nin n LYS 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nin n GLY 12 N 2.61 4.63 0.00 3.14 0.00 -1.25 -5.07 105.19 109.24 1nin n GLY 12 Ca -0.13 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.19 1nin n GLY 12 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nin n LEU 13 N 1.05 0.00 -1.41 0.99 0.00 -1.26 -0.77 117.00 115.61 1nin n LEU 13 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 56.18 1nin n LEU 13 Cb 0.40 0.00 0.15 0.00 0.00 0.00 0.00 43.42 43.97 1nin n LEU 13 CO 0.38 0.00 0.59 0.18 0.00 0.00 0.00 177.39 178.54 1nin n LEU 14 N 0.00 4.46 -1.52 -1.96 4.77 -1.26 0.28 117.00 121.77 1nin n LEU 14 Ca 0.00 -4.09 -0.13 0.00 -0.03 0.00 0.00 56.01 51.76 1nin n LEU 14 Cb 0.00 -0.58 0.13 0.00 -2.33 0.00 0.00 43.42 40.63 1nin n LEU 14 CO 0.00 1.52 0.57 1.33 -1.33 0.00 0.00 177.39 179.47 1nin n VAL 15 N -1.01 2.64 0.00 4.08 0.24 0.05 -3.50 118.33 120.83 1nin n VAL 15 Ca 0.37 -3.35 0.00 0.00 -2.04 0.00 0.00 64.34 59.32 1nin n VAL 15 Cb 0.94 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 1nin n VAL 15 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1nin n PHE 16 N -0.96 0.00 0.00 6.34 3.01 -1.25 -1.13 117.46 123.47 1nin n PHE 16 Ca 0.39 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.85 1nin n PHE 16 Cb 0.92 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.39 1nin n PHE 16 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1nin n GLU 17 N 0.00 0.00 -3.45 -1.08 2.13 -1.23 -2.69 120.64 114.32 1nin n GLU 17 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 1nin n GLU 17 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1nin n GLU 17 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1nin s PRO 18 N 0.00 3.55 0.00 5.31 0.04 -1.26 -3.95 135.00 138.69 1nin s PRO 18 Ca 0.00 -2.82 0.00 0.00 0.04 0.00 0.00 61.00 58.22 1nin s PRO 18 Cb 0.00 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1nin s PRO 18 CO 0.00 -1.25 0.00 0.00 0.04 0.00 0.00 177.00 175.79 1nin n ALA 19 N 3.26 0.00 -3.15 8.56 0.00 -0.28 -4.65 120.51 124.25 1nin n ALA 19 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.24 1nin n ALA 19 Cb 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 1nin n ALA 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1nin s LYS 20 N -0.15 3.14 -0.25 0.00 -2.85 -1.26 -0.85 119.74 117.52 1nin s LYS 20 Ca 0.00 -0.83 -0.05 0.00 -1.00 0.00 0.00 55.97 54.09 1nin s LYS 20 Cb 0.00 -3.39 -0.01 0.00 -2.06 0.00 0.00 37.83 32.38 1nin s LYS 20 CO 0.00 -0.43 0.01 -1.17 0.10 0.00 0.00 175.35 173.86 1nin s LEU 21 N 1.51 3.26 -1.15 2.77 1.98 0.18 -4.97 118.68 122.26 1nin s LEU 21 Ca 0.03 -0.46 -0.09 0.00 -2.89 0.00 0.00 54.13 50.71 1nin s LEU 21 Cb -0.17 -1.81 0.25 0.00 0.66 0.00 0.00 46.19 45.12 1nin s LEU 21 CO 0.03 -0.07 1.36 0.41 -1.89 0.00 0.00 176.35 176.19 1nin n THR 22 N 4.83 4.63 -0.95 3.68 -1.04 -1.26 -0.07 114.28 124.10 1nin n THR 22 Ca -0.17 -5.22 -0.29 0.00 -2.04 0.00 0.00 64.05 56.33 1nin n THR 22 Cb 0.50 -2.43 0.22 0.00 -1.82 0.00 0.00 70.33 66.80 1nin n THR 22 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1nin s ILE 23 N -0.70 1.85 0.29 12.58 -4.36 -1.14 -4.74 121.20 124.97 1nin s ILE 23 Ca 0.35 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.75 1nin s ILE 23 Cb -0.03 -2.37 -0.03 0.00 1.25 0.00 0.00 42.46 41.28 1nin s ILE 23 CO -0.01 0.00 0.47 -0.54 0.24 0.00 0.00 174.94 175.10 1nin s LYS 24 N -4.97 3.48 0.00 0.37 3.01 -1.26 -1.47 119.74 118.91 1nin s LYS 24 Ca 0.68 -0.44 0.00 0.00 -1.01 0.00 0.00 55.97 55.19 1nin s LYS 24 Cb -0.18 -2.76 0.00 0.00 -1.01 0.00 0.00 37.83 33.89 1nin s LYS 24 CO 0.59 0.28 0.01 -2.30 0.51 0.00 0.00 175.35 174.43 1nin n PRO 25 N -1.44 0.00 0.00 -1.68 -0.01 -1.26 -0.65 135.00 129.96 1nin n PRO 25 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.43 1nin n PRO 25 Cb 0.56 -0.15 0.00 0.00 -0.01 0.00 0.00 33.50 33.90 1nin n PRO 25 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1nin n GLY 26 N 0.38 1.98 2.98 -1.23 0.00 -1.26 -4.89 105.19 103.15 1nin n GLY 26 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1nin n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nin n ASP 27 N 0.00 -2.86 -4.87 1.61 2.03 0.18 -0.17 116.55 112.47 1nin n ASP 27 Ca 0.00 -0.01 -0.32 0.00 0.52 0.00 0.00 54.79 54.98 1nin n ASP 27 Cb 0.00 -0.52 -0.05 0.00 -0.72 0.00 0.00 41.12 39.83 1nin n ASP 27 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1nin s THR 28 N -2.01 5.15 0.01 5.18 2.01 -1.26 -1.65 115.64 123.07 1nin s THR 28 Ca 0.32 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.00 1nin s THR 28 Cb 0.09 -3.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 1nin s THR 28 CO 0.58 0.25 -0.12 0.54 -0.69 0.00 0.00 174.62 175.18 1nin s VAL 29 N -1.36 0.95 -0.08 3.82 0.11 0.28 -1.03 120.40 123.09 1nin s VAL 29 Ca 0.29 -0.67 -0.01 0.00 -2.93 0.00 0.00 61.98 58.66 1nin s VAL 29 Cb -0.13 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1nin s VAL 29 CO 0.21 0.16 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.40 1nin s GLU 30 N -0.58 2.94 -0.81 1.54 2.12 0.67 -0.41 118.70 124.17 1nin s GLU 30 Ca 0.03 -0.48 0.02 0.00 0.36 0.00 0.00 54.97 54.90 1nin s GLU 30 Cb -0.06 -2.71 0.26 0.00 0.26 0.00 0.00 34.13 31.88 1nin s GLU 30 CO 0.00 0.64 0.99 1.19 -0.54 0.00 0.00 175.26 177.54 1nin n PHE 31 N 2.31 3.24 -2.49 5.30 3.72 -1.12 -1.87 117.46 126.54 1nin n PHE 31 Ca -0.18 -3.65 -0.43 0.00 -0.05 0.00 0.00 57.45 53.14 1nin n PHE 31 Cb 0.53 -0.83 -0.02 0.00 -0.94 0.00 0.00 39.48 38.22 1nin n PHE 31 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1nin s LEU 32 N -2.48 4.04 -1.16 4.37 0.20 -1.26 -3.53 118.68 118.86 1nin s LEU 32 Ca 0.36 1.41 -0.12 0.00 0.69 0.00 0.00 54.13 56.46 1nin s LEU 32 Cb 0.09 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 42.25 1nin s LEU 32 CO 0.01 -0.86 2.30 -3.20 -0.29 0.00 0.00 176.35 174.31 1nin n ASN 33 N 6.91 5.07 0.00 3.68 5.15 -1.05 -0.17 115.26 134.85 1nin n ASN 33 Ca 0.14 -2.57 0.00 0.00 -0.60 0.00 0.00 54.58 51.55 1nin n ASN 33 Cb 0.46 -1.33 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 1nin n ASN 33 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1nin n ASN 34 N 5.20 0.00 -3.11 1.20 4.13 -1.26 -1.22 115.26 120.20 1nin n ASN 34 Ca 0.55 0.61 -0.18 0.00 1.68 0.00 0.00 54.58 57.24 1nin n ASN 34 Cb 0.27 -0.11 -0.06 0.00 -1.54 0.00 0.00 39.78 38.34 1nin n ASN 34 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1nin n LYS 35 N -1.20 0.44 -3.69 3.52 5.02 -1.16 -3.75 118.16 117.33 1nin n LYS 35 Ca 0.00 -2.88 -0.23 0.00 -2.02 0.00 0.00 58.31 53.18 1nin n LYS 35 Cb 0.00 2.09 0.00 0.00 -0.02 0.00 0.00 35.03 37.10 1nin n LYS 35 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nin n VAL 36 N -0.62 -2.94 -0.80 -0.18 0.31 -1.26 -4.86 118.33 107.98 1nin n VAL 36 Ca 0.03 -0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 64.05 1nin n VAL 36 Cb 0.52 -2.62 0.26 0.00 -0.91 0.00 0.00 33.84 31.08 1nin n VAL 36 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1nin s PRO 37 N -4.71 -1.76 -0.17 5.55 0.04 -1.26 -4.67 135.00 128.01 1nin s PRO 37 Ca 0.00 0.09 -0.18 0.00 0.04 0.00 0.00 61.00 60.95 1nin s PRO 37 Cb -0.00 -1.52 -0.04 0.00 0.04 0.00 0.00 34.50 32.98 1nin s PRO 37 CO 0.82 -4.10 0.47 -1.25 0.04 0.00 0.00 177.00 172.98 1nin s PRO 38 N -5.20 4.24 -1.14 0.56 0.04 -1.26 -5.01 135.00 127.22 1nin s PRO 38 Ca 0.70 0.36 -0.04 0.00 0.04 0.00 0.00 61.00 62.05 1nin s PRO 38 Cb -0.12 -3.51 0.25 0.00 0.04 0.00 0.00 34.50 31.16 1nin s PRO 38 CO 0.57 -0.01 1.81 0.72 0.04 0.00 0.00 177.00 180.14 1nin n HIS 39 N 4.30 2.57 -1.58 0.56 8.25 -0.59 -4.73 115.22 124.00 1nin n HIS 39 Ca -0.07 -2.65 -0.41 0.00 -0.26 0.00 0.00 57.72 54.34 1nin n HIS 39 Cb 0.51 -1.46 -0.01 0.00 1.12 0.00 0.00 29.99 30.14 1nin n HIS 39 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1nin n ASN 40 N 1.45 5.85 -4.67 0.41 4.13 -1.26 -4.53 115.26 116.65 1nin n ASN 40 Ca 0.41 -2.74 -0.46 0.00 1.68 0.00 0.00 54.58 53.46 1nin n ASN 40 Cb 0.30 -1.62 -0.04 0.00 -1.54 0.00 0.00 39.78 36.88 1nin n ASN 40 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1nin n VAL 41 N 4.45 0.06 -3.71 2.41 0.24 -1.26 -4.65 118.33 115.87 1nin n VAL 41 Ca 0.62 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.34 62.64 1nin n VAL 41 Cb 0.33 -1.55 -0.03 0.00 -1.47 0.00 0.00 33.84 31.11 1nin n VAL 41 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1nin s VAL 42 N 1.24 5.21 0.32 3.34 1.01 0.70 -1.40 120.40 130.81 1nin s VAL 42 Ca 0.80 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 62.46 1nin s VAL 42 Cb -0.69 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1nin s VAL 42 CO 0.40 -0.17 0.37 -0.36 0.00 0.00 0.00 175.10 175.33 1nin s PHE 43 N -1.86 3.08 0.24 5.22 0.40 -1.26 -0.13 117.98 123.66 1nin s PHE 43 Ca 0.38 -0.21 0.05 0.00 -0.60 0.00 0.00 56.93 56.55 1nin s PHE 43 Cb -0.11 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 1nin s PHE 43 CO 0.29 0.16 0.33 0.16 0.70 0.00 0.00 175.22 176.86 1nin s ASP 44 N -4.06 6.17 0.03 1.36 -4.77 -1.25 -4.81 116.67 109.33 1nin s ASP 44 Ca 0.41 0.01 -0.03 0.00 -3.30 0.00 0.00 52.55 49.64 1nin s ASP 44 Cb -0.08 -1.77 -0.01 0.00 -1.09 0.00 0.00 42.92 39.97 1nin s ASP 44 CO 0.29 -0.06 -0.06 0.00 0.70 0.00 0.00 175.17 176.04 1nin n ALA 45 N -1.33 2.46 -0.33 2.11 0.00 -1.26 -4.49 120.51 117.68 1nin n ALA 45 Ca -0.09 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.33 1nin n ALA 45 Cb 0.57 0.14 0.31 0.00 0.00 0.00 0.00 19.45 20.47 1nin n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nin h ALA 46 N -0.29 1.56 -0.45 0.00 0.00 -1.93 -2.16 119.26 115.98 1nin h ALA 46 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1nin h ALA 46 Cb 0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1nin h ALA 46 CO 0.00 -0.13 0.08 1.28 0.00 0.00 0.00 179.25 180.48 1nin n LEU 47 N -4.85 4.68 -4.70 0.00 4.77 -1.26 -4.96 117.00 110.68 1nin n LEU 47 Ca 0.22 -3.37 -0.32 0.00 -0.03 0.00 0.00 56.01 52.51 1nin n LEU 47 Cb 0.58 -0.64 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 1nin n LEU 47 CO 0.19 0.93 -0.32 0.21 -1.33 0.00 0.00 177.39 177.08 1nin s ASN 48 N -1.90 5.15 0.24 -1.43 2.47 -0.81 -4.46 114.94 114.19 1nin s ASN 48 Ca 0.47 -0.05 -0.08 0.00 0.42 0.00 0.00 52.86 53.61 1nin s ASN 48 Cb 0.40 -1.32 0.40 0.00 -1.45 0.00 0.00 41.25 39.27 1nin s ASN 48 CO 0.07 0.24 1.63 1.55 -3.72 0.00 0.00 177.10 176.87 1nin h PRO 49 N 3.97 0.07 -0.72 0.43 0.13 -1.85 -2.27 132.00 131.76 1nin h PRO 49 Ca -0.48 -0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.17 1nin h PRO 49 Cb 1.17 -0.02 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 1nin h PRO 49 CO 0.59 0.04 0.02 0.00 -0.23 0.00 0.00 178.00 178.42 1nin n ALA 50 N -3.02 5.25 -2.36 -0.56 0.00 -1.26 -5.00 120.51 113.56 1nin n ALA 50 Ca 0.12 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.13 1nin n ALA 50 Cb 0.45 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1nin n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nin n LYS 51 N -0.94 -0.61 -3.37 0.00 4.76 -0.86 -4.88 118.16 112.26 1nin n LYS 51 Ca 0.47 -0.30 -0.21 0.00 -2.87 0.00 0.00 58.31 55.41 1nin n LYS 51 Cb 0.96 0.54 -0.00 0.00 -1.84 0.00 0.00 35.03 34.68 1nin n LYS 51 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1nin n SER 52 N 0.58 2.42 0.01 4.39 3.41 -1.26 -4.96 113.62 118.20 1nin n SER 52 Ca 0.00 -2.50 -0.02 0.00 -0.26 0.00 0.00 58.87 56.09 1nin n SER 52 Cb 0.00 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 1nin n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nin n ALA 53 N -2.08 2.77 -0.29 7.33 0.00 -1.26 -4.48 120.51 122.50 1nin n ALA 53 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1nin n ALA 53 Cb 0.49 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1nin n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nin n ASP 54 N -3.36 0.00 0.10 0.00 5.68 -1.26 -0.42 116.55 117.28 1nin n ASP 54 Ca -0.04 0.30 -0.13 0.00 -0.50 0.00 0.00 54.79 54.42 1nin n ASP 54 Cb 0.32 -0.08 -0.08 0.00 -1.14 0.00 0.00 41.12 40.14 1nin n ASP 54 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1nin h LEU 55 N 0.00 -0.21 -0.67 -2.12 6.46 -1.97 -0.79 115.31 116.01 1nin h LEU 55 Ca 0.00 -0.23 0.10 0.00 -0.12 0.00 0.00 57.88 57.64 1nin h LEU 55 Cb 0.00 0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 39.88 1nin h LEU 55 CO 0.00 0.13 -0.26 0.00 -0.62 0.00 0.00 178.44 177.69 1nin n ALA 56 N -2.38 -0.08 0.10 1.25 0.00 -0.74 0.31 120.51 118.97 1nin n ALA 56 Ca -0.09 0.67 -0.22 0.00 0.00 0.00 0.00 53.44 53.80 1nin n ALA 56 Cb 0.23 -0.30 -0.15 0.00 0.00 0.00 0.00 19.45 19.23 1nin n ALA 56 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1nin h LYS 57 N 0.00 0.48 -1.15 0.00 3.11 -0.71 -0.18 116.57 118.12 1nin h LYS 57 Ca 0.23 -0.75 0.32 0.00 -2.81 0.00 0.00 60.65 57.65 1nin h LYS 57 Cb 0.40 0.27 -0.09 0.00 -1.00 0.00 0.00 32.23 31.81 1nin h LYS 57 CO -0.66 1.35 0.76 1.03 -2.81 0.00 0.00 179.45 179.11 1nin h SER 58 N -0.00 0.30 0.00 4.20 0.87 0.14 -1.25 113.55 117.81 1nin h SER 58 Ca -0.19 0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.32 1nin h SER 58 Cb 1.89 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.87 1nin h SER 58 CO 0.22 0.01 -0.71 0.25 -0.53 0.00 0.00 176.83 176.07 1nin h LEU 59 N 0.24 0.00 -9.31 2.23 7.12 -0.50 -3.47 115.31 111.62 1nin h LEU 59 Ca 0.64 -0.55 -0.64 0.00 0.13 0.00 0.00 57.88 57.46 1nin h LEU 59 Cb 1.93 0.00 0.10 0.00 -0.53 0.00 0.00 40.66 42.16 1nin h LEU 59 CO -0.26 1.19 0.04 -1.54 -0.13 0.00 0.00 178.44 177.74 1nin n SER 60 N -4.53 0.74 -3.59 1.25 3.41 -0.08 -4.83 113.62 105.99 1nin n SER 60 Ca -0.20 1.16 -0.22 0.00 -0.26 0.00 0.00 58.87 59.34 1nin n SER 60 Cb 0.52 -1.18 0.19 0.00 -0.26 0.00 0.00 64.21 63.48 1nin n SER 60 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nin n HIS 61 N 0.68 -2.60 0.00 7.33 8.25 -0.49 -4.86 115.22 123.52 1nin n HIS 61 Ca 0.14 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1nin n HIS 61 Cb 0.27 -1.40 0.00 0.00 1.12 0.00 0.00 29.99 29.98 1nin n HIS 61 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1nin n LYS 62 N -2.89 0.00 -1.99 -0.41 0.00 -1.26 -4.99 118.16 106.62 1nin n LYS 62 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.10 1nin n LYS 62 Cb 0.44 -0.19 0.07 0.00 0.00 0.00 0.00 35.03 35.35 1nin n LYS 62 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1nin s GLN 63 N -1.19 2.27 -0.08 1.64 0.00 -1.26 -5.07 119.66 115.96 1nin s GLN 63 Ca 0.00 0.11 -0.03 0.00 -0.00 0.00 0.00 55.36 55.44 1nin s GLN 63 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 33.01 30.94 1nin s GLN 63 CO 0.00 -1.35 0.06 -0.51 0.00 0.00 0.00 175.29 173.50 1nin s LEU 64 N -5.43 3.92 -0.86 2.60 1.02 -1.26 -4.80 118.68 113.87 1nin s LEU 64 Ca 0.60 0.26 -0.16 0.00 0.02 0.00 0.00 54.13 54.85 1nin s LEU 64 Cb -0.11 -1.98 0.18 0.00 0.02 0.00 0.00 46.19 44.30 1nin s LEU 64 CO 0.49 0.37 0.91 -0.76 0.02 0.00 0.00 176.35 177.38 1nin s LEU 65 N -1.08 6.03 -0.05 1.79 2.01 -1.26 -4.78 118.68 121.34 1nin s LEU 65 Ca 0.16 -2.39 0.06 0.00 0.01 0.00 0.00 54.13 51.96 1nin s LEU 65 Cb -0.12 -2.29 -0.08 0.00 0.01 0.00 0.00 46.19 43.71 1nin s LEU 65 CO 0.05 -0.79 0.05 0.23 1.01 0.00 0.00 176.35 176.90 1nin n MET 66 N 5.09 2.32 -3.61 1.70 2.81 -1.26 -1.54 117.12 122.62 1nin n MET 66 Ca 0.17 -0.02 -0.40 0.00 -1.81 0.00 0.00 57.70 55.64 1nin n MET 66 Cb 0.48 -1.16 -0.11 0.00 -0.71 0.00 0.00 33.22 31.72 1nin n MET 66 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1nin s SER 67 N -3.50 5.67 0.00 7.83 1.04 -1.26 -4.77 113.70 118.71 1nin s SER 67 Ca -0.03 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1nin s SER 67 Cb 0.02 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.15 1nin s SER 67 CO 0.25 -0.43 0.00 -2.65 0.98 0.00 0.00 173.24 171.39 1nin n PRO 68 N 4.96 0.00 0.00 4.02 -0.01 -0.36 -0.53 135.00 143.08 1nin n PRO 68 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.38 1nin n PRO 68 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.94 1nin n PRO 68 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1nin n GLY 69 N 0.00 2.45 3.11 -1.23 0.00 -1.24 -4.99 105.19 103.29 1nin n GLY 69 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 1nin n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nin n GLN 70 N 0.00 0.01 -1.55 1.61 7.27 0.31 -4.77 117.38 120.27 1nin n GLN 70 Ca 0.00 -0.31 -0.41 0.00 0.07 0.00 0.00 57.00 56.35 1nin n GLN 70 Cb 0.00 -1.53 -0.01 0.00 2.41 0.00 0.00 30.24 31.11 1nin n GLN 70 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1nin n SER 71 N 7.08 4.56 -4.44 1.69 3.41 -1.26 -2.54 113.62 122.11 1nin n SER 71 Ca 0.08 -2.76 -0.44 0.00 -0.26 0.00 0.00 58.87 55.49 1nin n SER 71 Cb 0.46 -1.55 -0.02 0.00 -0.26 0.00 0.00 64.21 62.84 1nin n SER 71 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1nin s THR 72 N 3.27 4.90 0.49 6.66 -1.32 -1.23 -4.87 115.64 123.54 1nin s THR 72 Ca 0.52 -1.96 -0.03 0.00 -1.21 0.00 0.00 61.69 59.01 1nin s THR 72 Cb 0.15 -4.78 -0.01 0.00 -1.51 0.00 0.00 72.50 66.34 1nin s THR 72 CO -0.06 -1.49 0.76 -0.94 -2.21 0.00 0.00 174.62 170.68 1nin s SER 73 N 3.26 5.92 0.05 8.08 1.04 -1.26 -2.81 113.70 127.98 1nin s SER 73 Ca 0.34 0.59 -0.06 0.00 0.48 0.00 0.00 55.95 57.30 1nin s SER 73 Cb -0.05 -1.81 -0.01 0.00 0.10 0.00 0.00 66.02 64.25 1nin s SER 73 CO -0.07 -0.74 0.11 -0.89 0.98 0.00 0.00 173.24 172.63 1nin s THR 74 N -2.71 0.14 0.37 2.02 2.01 0.45 -4.93 115.64 112.99 1nin s THR 74 Ca 0.49 -1.16 0.08 0.00 0.31 0.00 0.00 61.69 61.41 1nin s THR 74 Cb -0.10 -1.04 -0.06 0.00 0.01 0.00 0.00 72.50 71.31 1nin s THR 74 CO 0.42 -0.64 0.06 0.28 -0.69 0.00 0.00 174.62 174.05 1nin s THR 75 N -2.96 2.43 -0.89 -0.82 -1.32 -1.26 -0.55 115.64 110.27 1nin s THR 75 Ca -0.02 -1.89 0.00 0.00 -1.21 0.00 0.00 61.69 58.57 1nin s THR 75 Cb 0.01 -2.89 0.30 0.00 -1.51 0.00 0.00 72.50 68.41 1nin s THR 75 CO -0.06 -0.11 1.32 0.49 -2.21 0.00 0.00 174.62 174.05 1nin n PHE 76 N -1.04 2.98 0.00 9.09 3.01 0.75 -4.96 117.46 127.29 1nin n PHE 76 Ca -0.03 -3.15 0.00 0.00 1.01 0.00 0.00 57.45 55.27 1nin n PHE 76 Cb 0.64 -0.96 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 1nin n PHE 76 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1nin n PRO 77 N 0.61 0.00 0.00 -1.08 -0.04 -1.26 -4.11 135.00 129.12 1nin n PRO 77 Ca 0.33 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1nin n PRO 77 Cb 0.34 -0.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.54 1nin n PRO 77 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 78 N -0.64 0.00 -0.06 0.55 0.00 -1.26 -4.67 120.51 114.43 1nin n ALA 78 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1nin n ALA 78 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1nin n ALA 78 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1nin h ASP 79 N 0.00 0.00 0.00 0.00 2.03 -1.96 -3.48 116.42 113.01 1nin h ASP 79 Ca 0.00 -0.31 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 1nin h ASP 79 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1nin h ASP 79 CO 0.00 0.74 0.00 0.00 -1.03 0.00 0.00 179.24 178.95 1nin n ALA 80 N -2.90 0.00 -0.50 4.15 0.00 -1.26 -4.64 120.51 115.36 1nin n ALA 80 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1nin n ALA 80 Cb 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.55 1nin n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nin n PRO 81 N 0.00 0.00 0.00 0.00 -0.04 -1.26 -4.22 135.00 129.48 1nin n PRO 81 Ca 0.00 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1nin n PRO 81 Cb 0.00 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1nin n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 82 N 8.64 -0.39 -1.73 0.55 0.00 -1.26 -4.24 120.51 122.08 1nin n ALA 82 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.62 1nin n ALA 82 Cb 0.40 -0.32 0.06 0.00 0.00 0.00 0.00 19.45 19.58 1nin n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nin n GLY 83 N -0.24 6.07 3.57 0.00 0.00 -0.16 -4.75 105.19 109.68 1nin n GLY 83 Ca 0.00 -2.40 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 1nin n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nin s GLU 84 N -3.64 3.97 -0.18 1.61 2.56 -1.26 0.20 118.70 121.96 1nin s GLU 84 Ca 0.55 -1.99 -0.04 0.00 0.00 0.00 0.00 54.97 53.50 1nin s GLU 84 Cb 0.44 -5.48 -0.02 0.00 2.00 0.00 0.00 34.13 31.07 1nin s GLU 84 CO 0.02 -2.21 -0.04 0.71 -0.56 0.00 0.00 175.26 173.18 1nin s TYR 85 N 4.03 2.99 -0.72 5.30 2.02 0.33 -3.58 117.35 127.72 1nin s TYR 85 Ca 0.52 -0.50 -0.08 0.00 -0.37 0.00 0.00 57.07 56.64 1nin s TYR 85 Cb 0.03 -2.01 0.19 0.00 -0.40 0.00 0.00 41.96 39.77 1nin s TYR 85 CO 0.06 -0.21 0.59 0.99 -1.57 0.00 0.00 175.55 175.40 1nin s THR 86 N 0.77 4.58 0.20 -0.71 2.01 -1.26 -0.96 115.64 120.26 1nin s THR 86 Ca -0.01 -2.75 -0.30 0.00 0.31 0.00 0.00 61.69 58.94 1nin s THR 86 Cb -0.14 -3.90 -0.08 0.00 0.01 0.00 0.00 72.50 68.39 1nin s THR 86 CO 0.02 -0.95 1.02 0.72 -0.69 0.00 0.00 174.62 174.74 1nin s PHE 87 N 0.03 3.75 0.01 4.92 -0.71 0.44 -3.92 117.98 122.50 1nin s PHE 87 Ca 0.17 1.75 0.07 0.00 -1.04 0.00 0.00 56.93 57.89 1nin s PHE 87 Cb -0.16 -3.14 -0.03 0.00 -1.21 0.00 0.00 43.02 38.48 1nin s PHE 87 CO -0.06 -0.11 -0.21 1.52 -1.34 0.00 0.00 175.22 175.02 1nin s TYR 88 N -0.61 2.47 -0.89 3.49 -0.85 0.81 0.17 117.35 121.94 1nin s TYR 88 Ca 0.46 -0.32 0.01 0.00 -0.52 0.00 0.00 57.07 56.69 1nin s TYR 88 Cb -0.27 -1.49 0.32 0.00 0.38 0.00 0.00 41.96 40.89 1nin s TYR 88 CO 0.34 0.13 1.49 0.00 -1.52 0.00 0.00 175.55 175.99 1nin n GLU 90 N 0.09 0.00 0.01 0.00 -0.58 -1.26 -0.22 120.64 118.67 1nin n GLU 90 Ca 0.39 0.00 0.22 0.00 -0.42 0.00 0.00 57.16 57.35 1nin n GLU 90 Cb 0.31 0.00 0.59 0.00 -0.57 0.00 0.00 31.44 31.77 1nin n GLU 90 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1nin h PRO 91 N 0.00 0.00 0.00 3.49 0.13 -1.94 -1.30 132.00 132.38 1nin h PRO 91 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 1nin h PRO 91 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1nin h PRO 91 CO 0.00 0.00 -1.31 0.72 -0.23 0.00 0.00 178.00 177.18 1nin n HIS 92 N -3.38 0.00 -0.00 1.56 8.25 0.70 -4.83 115.22 117.52 1nin n HIS 92 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1nin n HIS 92 Cb 0.98 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.88 1nin n HIS 92 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1nin n ARG 93 N -2.08 -0.00 -0.24 -0.41 0.63 -0.25 -1.35 116.66 112.96 1nin n ARG 93 Ca -0.06 0.00 0.22 0.00 -0.92 0.00 0.00 57.85 57.09 1nin n ARG 93 Cb 0.55 -0.00 0.38 0.00 0.45 0.00 0.00 32.46 33.84 1nin n ARG 93 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nin n GLY 94 N -1.00 -0.48 2.19 5.14 0.00 -1.26 0.10 105.19 109.88 1nin n GLY 94 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 1nin n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nin n ALA 95 N -2.55 5.83 0.00 4.61 0.00 -0.46 -4.95 120.51 122.99 1nin n ALA 95 Ca 0.24 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 50.12 1nin n ALA 95 Cb 0.86 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1nin n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nin n GLY 96 N -0.86 2.12 1.97 0.00 0.00 0.28 -4.85 105.19 103.84 1nin n GLY 96 Ca 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1nin n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nin n MET 97 N 0.00 -0.76 -4.54 1.61 2.00 -1.23 -4.75 117.12 109.44 1nin n MET 97 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 57.70 57.39 1nin n MET 97 Cb 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 33.22 33.14 1nin n MET 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1nin s VAL 98 N -2.39 2.14 0.16 2.03 0.11 -1.26 -0.81 120.40 120.38 1nin s VAL 98 Ca 0.00 -1.61 0.07 0.00 -2.93 0.00 0.00 61.98 57.52 1nin s VAL 98 Cb 0.00 -1.88 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 1nin s VAL 98 CO 0.00 0.16 -0.16 -0.83 -3.33 0.00 0.00 175.10 170.94 1nin s GLY 99 N -1.77 1.27 -0.24 6.54 0.00 0.13 -4.83 107.32 108.42 1nin s GLY 99 Ca 0.12 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.37 1nin s GLY 99 CO 0.04 -1.52 0.06 1.25 0.00 0.00 0.00 173.10 172.94 1nin s LYS 100 N -2.96 0.63 -0.22 2.90 2.47 -0.03 -0.42 119.74 122.11 1nin s LYS 100 Ca 0.15 -0.61 -0.07 0.00 -1.56 0.00 0.00 55.97 53.87 1nin s LYS 100 Cb -0.04 -1.98 -0.04 0.00 -1.46 0.00 0.00 37.83 34.31 1nin s LYS 100 CO 0.05 -0.77 0.07 -1.50 0.16 0.00 0.00 175.35 173.36 1nin s ILE 101 N 1.82 4.56 -0.56 5.43 2.07 -0.13 0.49 121.20 134.86 1nin s ILE 101 Ca 0.03 -0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.16 1nin s ILE 101 Cb -0.17 -3.10 0.14 0.00 0.13 0.00 0.00 42.46 39.47 1nin s ILE 101 CO -0.16 0.39 0.35 -0.89 -1.91 0.00 0.00 174.94 172.72 1nin s THR 102 N 1.05 3.30 -0.15 4.00 2.01 0.90 -0.51 115.64 126.24 1nin s THR 102 Ca 0.04 -2.94 -0.29 0.00 0.31 0.00 0.00 61.69 58.81 1nin s THR 102 Cb -0.14 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 1nin s THR 102 CO 0.03 -0.82 1.44 -0.69 -0.69 0.00 0.00 174.62 173.89 1nin s VAL 103 N 0.04 3.96 -1.23 3.82 1.01 0.13 -2.91 120.40 125.23 1nin s VAL 103 Ca 0.16 1.15 -0.06 0.00 0.00 0.00 0.00 61.98 63.23 1nin s VAL 103 Cb -0.22 -3.79 0.19 0.00 0.00 0.00 0.00 36.38 32.56 1nin s VAL 103 CO -0.03 -0.16 2.03 0.00 0.00 0.00 0.00 175.10 176.95 1nin n ALA 104 N 7.10 6.08 -1.73 5.51 0.00 -0.54 -0.99 120.51 135.94 1nin n ALA 104 Ca 0.16 -4.34 0.00 0.00 0.00 0.00 0.00 53.44 49.26 1nin n ALA 104 Cb 0.44 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91