#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 0.00 -2.38 2.62 -2.24 0.12 -4.46 114.28 107.94 1nin n THR 2 Ca 0.00 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 60.95 1nin n THR 2 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1nin n THR 2 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1nin n TYR 3 N 3.07 4.31 -1.46 4.78 4.01 -1.04 -4.61 117.16 126.22 1nin n TYR 3 Ca 0.00 -2.93 -0.46 0.00 -0.16 0.00 0.00 57.90 54.35 1nin n TYR 3 Cb 0.27 -2.54 -0.02 0.00 -0.31 0.00 0.00 39.34 36.74 1nin n TYR 3 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1nin n THR 4 N 5.71 1.91 -4.47 -0.72 5.66 -1.26 -4.42 114.28 116.68 1nin n THR 4 Ca 0.48 -0.50 -0.34 0.00 -3.05 0.00 0.00 64.05 60.64 1nin n THR 4 Cb 0.43 -0.39 -0.12 0.00 -1.55 0.00 0.00 70.33 68.70 1nin n THR 4 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1nin s VAL 5 N -1.10 3.78 -0.39 1.08 1.01 -0.43 -4.63 120.40 119.73 1nin s VAL 5 Ca 0.62 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 1nin s VAL 5 Cb -0.81 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 32.96 1nin s VAL 5 CO 0.58 0.51 0.95 -0.54 0.00 0.00 0.00 175.10 176.60 1nin s LYS 6 N 0.18 3.79 -1.26 2.72 1.02 0.12 -0.92 119.74 125.39 1nin s LYS 6 Ca -0.03 0.52 -0.06 0.00 0.02 0.00 0.00 55.97 56.43 1nin s LYS 6 Cb -0.14 -3.83 0.17 0.00 -0.52 0.00 0.00 37.83 33.51 1nin s LYS 6 CO 0.03 -1.03 2.12 1.28 -0.92 0.00 0.00 175.35 176.83 1nin n LEU 7 N 6.93 7.50 0.00 3.17 4.32 0.05 -1.94 117.00 137.03 1nin n LEU 7 Ca 0.07 -4.92 0.00 0.00 -0.02 0.00 0.00 56.01 51.15 1nin n LEU 7 Cb 0.48 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 40.92 1nin n LEU 7 CO 0.60 1.87 0.00 0.61 -1.22 0.00 0.00 177.39 179.25 1nin n GLY 8 N 1.73 3.35 3.32 -0.72 0.00 0.11 -3.63 105.19 109.34 1nin n GLY 8 Ca 0.52 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 1nin n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nin s SER 9 N 0.00 2.85 0.00 1.61 0.15 -0.20 -4.65 113.70 113.46 1nin s SER 9 Ca 0.00 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1nin s SER 9 Cb 0.00 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1nin s SER 9 CO 0.00 0.15 0.00 -0.67 1.20 0.00 0.00 173.24 173.92 1nin n ASP 10 N 1.35 0.00 -0.61 5.45 2.03 -1.26 -1.98 116.55 121.53 1nin n ASP 10 Ca -0.18 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.18 1nin n ASP 10 Cb 0.53 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.13 1nin n ASP 10 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1nin n LYS 11 N 0.00 1.62 0.00 -0.67 5.02 -1.26 -4.76 118.16 118.11 1nin n LYS 11 Ca 0.00 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 53.13 1nin n LYS 11 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1nin n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nin n GLY 12 N -1.16 0.07 3.44 0.72 0.00 -0.84 -5.15 105.19 102.29 1nin n GLY 12 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1nin n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nin s LEU 13 N -3.67 2.50 -1.42 0.99 1.43 -1.26 -4.98 118.68 112.27 1nin s LEU 13 Ca 0.00 -0.92 -0.07 0.00 -1.03 0.00 0.00 54.13 52.11 1nin s LEU 13 Cb 0.00 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 45.08 1nin s LEU 13 CO 0.00 0.09 2.68 0.00 0.23 0.00 0.00 176.35 179.35 1nin n LEU 14 N -0.04 8.31 -4.91 1.79 -0.00 -1.26 -1.03 117.00 119.86 1nin n LEU 14 Ca -0.10 -4.61 -0.28 0.00 -0.00 0.00 0.00 56.01 51.01 1nin n LEU 14 Cb 0.57 -1.45 0.09 0.00 -0.00 0.00 0.00 43.42 42.63 1nin n LEU 14 CO 0.32 2.06 0.75 0.68 -0.00 0.00 0.00 177.39 181.20 1nin s VAL 15 N 0.35 2.08 -0.92 1.47 -7.23 -1.26 -4.42 120.40 110.47 1nin s VAL 15 Ca 0.62 -0.08 -0.02 0.00 -1.81 0.00 0.00 61.98 60.68 1nin s VAL 15 Cb 0.19 -3.00 0.23 0.00 0.56 0.00 0.00 36.38 34.36 1nin s VAL 15 CO -0.08 0.00 0.81 0.12 -0.31 0.00 0.00 175.10 175.64 1nin s PHE 16 N -3.50 3.94 -0.11 2.82 2.19 -1.26 0.06 117.98 122.12 1nin s PHE 16 Ca 0.62 -3.01 -0.01 0.00 0.33 0.00 0.00 56.93 54.86 1nin s PHE 16 Cb -0.10 -3.29 -0.03 0.00 -1.31 0.00 0.00 43.02 38.29 1nin s PHE 16 CO 0.48 -0.75 -0.06 -1.21 1.83 0.00 0.00 175.22 175.50 1nin s GLU 17 N -1.37 3.22 -0.77 10.12 0.41 -0.82 -0.01 118.70 129.48 1nin s GLU 17 Ca 0.28 -0.55 -0.23 0.00 -0.41 0.00 0.00 54.97 54.06 1nin s GLU 17 Cb -0.07 -2.73 0.07 0.00 -1.78 0.00 0.00 34.13 29.62 1nin s GLU 17 CO -0.12 0.43 1.11 -1.25 -0.49 0.00 0.00 175.26 174.94 1nin s PRO 18 N -0.18 3.27 0.14 0.39 0.04 -1.26 0.15 135.00 137.55 1nin s PRO 18 Ca 0.02 -0.94 0.04 0.00 0.04 0.00 0.00 61.00 60.17 1nin s PRO 18 Cb -0.13 -4.48 0.41 0.00 0.04 0.00 0.00 34.50 30.34 1nin s PRO 18 CO 0.03 -1.91 0.64 0.00 0.04 0.00 0.00 177.00 175.80 1nin n ALA 19 N 7.92 0.30 -3.27 8.56 0.00 0.99 -2.47 120.51 132.52 1nin n ALA 19 Ca 0.07 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.56 1nin n ALA 19 Cb 0.47 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1nin n ALA 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nin n LYS 20 N -4.21 3.52 -3.77 0.00 0.00 -1.26 -0.53 118.16 111.91 1nin n LYS 20 Ca 0.12 -4.57 -0.37 0.00 0.00 0.00 0.00 58.31 53.49 1nin n LYS 20 Cb 0.40 -2.43 -0.06 0.00 0.00 0.00 0.00 35.03 32.95 1nin n LYS 20 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1nin s LEU 21 N -2.31 4.41 -0.24 3.14 1.98 -1.03 -5.01 118.68 119.63 1nin s LEU 21 Ca 0.33 0.61 -0.03 0.00 -2.89 0.00 0.00 54.13 52.15 1nin s LEU 21 Cb 0.04 -2.25 0.01 0.00 0.66 0.00 0.00 46.19 44.65 1nin s LEU 21 CO 0.01 0.38 -0.04 -0.89 -1.89 0.00 0.00 176.35 173.92 1nin s THR 22 N -1.06 3.20 0.54 3.68 2.01 -1.26 -0.91 115.64 121.83 1nin s THR 22 Ca 0.18 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.51 1nin s THR 22 Cb -0.13 -2.54 0.06 0.00 0.01 0.00 0.00 72.50 69.90 1nin s THR 22 CO 0.07 0.30 0.74 0.27 -0.69 0.00 0.00 174.62 175.31 1nin s ILE 23 N 1.41 2.47 0.52 1.82 -4.36 0.14 -4.92 121.20 118.29 1nin s ILE 23 Ca 0.03 -0.92 -0.02 0.00 -0.26 0.00 0.00 60.65 59.48 1nin s ILE 23 Cb -0.15 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.02 1nin s ILE 23 CO -0.03 0.00 0.78 -0.54 0.24 0.00 0.00 174.94 175.38 1nin s LYS 24 N -4.63 2.90 0.00 0.37 1.02 -1.25 -0.87 119.74 117.28 1nin s LYS 24 Ca 0.60 -0.35 -0.02 0.00 0.02 0.00 0.00 55.97 56.21 1nin s LYS 24 Cb -0.07 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1nin s LYS 24 CO 0.38 -0.52 0.44 -0.35 -0.92 0.00 0.00 175.35 174.37 1nin n PRO 25 N -2.33 0.00 0.00 -1.68 -0.04 -1.26 -3.38 135.00 126.32 1nin n PRO 25 Ca 0.04 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1nin n PRO 25 Cb 0.58 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1nin n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nin n GLY 26 N 3.20 1.62 0.00 0.55 0.00 -1.20 -4.91 105.19 104.45 1nin n GLY 26 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1nin n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nin n ASP 27 N 0.00 0.00 -4.57 1.61 5.68 -1.22 -4.16 116.55 113.89 1nin n ASP 27 Ca 0.00 -0.24 -0.32 0.00 -0.50 0.00 0.00 54.79 53.72 1nin n ASP 27 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 1nin n ASP 27 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1nin s THR 28 N 1.41 3.53 -0.06 2.12 -4.23 -1.26 -2.33 115.64 114.82 1nin s THR 28 Ca 0.00 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 1nin s THR 28 Cb 0.00 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.33 1nin s THR 28 CO 0.00 0.42 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.66 1nin s VAL 29 N -0.95 1.32 0.34 2.29 1.01 -0.12 0.12 120.40 124.40 1nin s VAL 29 Ca 0.16 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1nin s VAL 29 Cb -0.11 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1nin s VAL 29 CO 0.06 0.39 0.00 -1.83 0.00 0.00 0.00 175.10 173.73 1nin s GLU 30 N 0.40 2.07 -0.89 2.72 -1.05 -1.26 -0.58 118.70 120.11 1nin s GLU 30 Ca -0.11 -1.74 -0.01 0.00 -0.15 0.00 0.00 54.97 52.96 1nin s GLU 30 Cb -0.14 -1.93 0.25 0.00 -0.44 0.00 0.00 34.13 31.87 1nin s GLU 30 CO 0.04 0.15 0.98 1.19 0.95 0.00 0.00 175.26 178.56 1nin n PHE 31 N -0.94 3.59 -1.56 4.83 3.72 0.07 -1.31 117.46 125.87 1nin n PHE 31 Ca -0.04 -3.71 -0.18 0.00 -0.05 0.00 0.00 57.45 53.46 1nin n PHE 31 Cb 0.62 -1.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.05 1nin n PHE 31 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1nin n LEU 32 N 1.67 1.89 -3.31 4.37 7.94 -0.10 -4.02 117.00 125.45 1nin n LEU 32 Ca 0.25 -1.26 -0.26 0.00 -1.11 0.00 0.00 56.01 53.63 1nin n LEU 32 Cb 0.37 -1.64 -0.05 0.00 0.53 0.00 0.00 43.42 42.64 1nin n LEU 32 CO 0.48 -2.39 1.68 0.59 -1.11 0.00 0.00 177.39 176.64 1nin n ASN 33 N 17.99 1.93 0.00 1.96 3.02 -0.48 -0.77 115.26 138.91 1nin n ASN 33 Ca 0.45 -2.35 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 1nin n ASN 33 Cb 0.45 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 1nin n ASN 33 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1nin n ASN 34 N 6.39 0.00 -0.41 6.41 2.85 -1.24 0.47 115.26 129.74 1nin n ASN 34 Ca 0.33 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 1nin n ASN 34 Cb 0.23 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.25 1nin n ASN 34 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1nin n LYS 35 N 0.00 0.00 -3.21 1.20 0.00 -1.26 -0.80 118.16 114.09 1nin n LYS 35 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 58.31 57.57 1nin n LYS 35 Cb 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 35.03 34.69 1nin n LYS 35 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1nin n VAL 36 N 0.00 -0.22 -0.31 3.15 0.24 -1.26 -4.92 118.33 115.00 1nin n VAL 36 Ca 0.00 -4.24 -0.19 0.00 -2.04 0.00 0.00 64.34 57.87 1nin n VAL 36 Cb 0.59 -1.78 0.18 0.00 -1.47 0.00 0.00 33.84 31.36 1nin n VAL 36 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1nin n PRO 37 N 1.19 -2.67 -3.27 7.34 -0.04 -1.26 -4.67 135.00 131.62 1nin n PRO 37 Ca 0.23 -0.89 -0.39 0.00 -0.04 0.00 0.00 63.50 62.41 1nin n PRO 37 Cb 0.53 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 1nin n PRO 37 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1nin s PRO 38 N -3.90 4.25 -0.76 0.54 0.04 -1.26 -5.05 135.00 128.86 1nin s PRO 38 Ca 0.41 0.43 -0.13 0.00 0.04 0.00 0.00 61.00 61.75 1nin s PRO 38 Cb -0.07 -3.52 0.20 0.00 0.04 0.00 0.00 34.50 31.15 1nin s PRO 38 CO 0.34 -0.04 0.68 -1.01 0.04 0.00 0.00 177.00 177.02 1nin s HIS 39 N 1.26 3.65 -0.43 0.56 3.76 0.39 -4.57 115.29 119.91 1nin s HIS 39 Ca 0.25 -2.00 -0.15 0.00 -0.15 0.00 0.00 55.06 53.00 1nin s HIS 39 Cb -0.15 -3.73 0.04 0.00 1.11 0.00 0.00 32.58 29.85 1nin s HIS 39 CO 0.10 -0.97 0.34 1.21 -0.85 0.00 0.00 174.74 174.56 1nin s ASN 40 N 2.15 6.12 -0.06 1.40 3.04 -1.26 -3.02 114.94 123.32 1nin s ASN 40 Ca 0.16 -1.07 0.03 0.00 0.04 0.00 0.00 52.86 52.01 1nin s ASN 40 Cb -0.14 -2.17 -0.02 0.00 -1.54 0.00 0.00 41.25 37.37 1nin s ASN 40 CO -0.07 -0.53 -0.13 0.68 -3.04 0.00 0.00 177.10 174.01 1nin s VAL 41 N 1.66 3.12 -0.03 -5.21 -7.23 -1.19 -3.19 120.40 108.34 1nin s VAL 41 Ca 0.05 -0.69 0.07 0.00 -1.81 0.00 0.00 61.98 59.59 1nin s VAL 41 Cb -0.21 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1nin s VAL 41 CO 0.09 0.58 -0.24 0.68 -0.31 0.00 0.00 175.10 175.89 1nin s VAL 42 N -0.60 2.17 0.12 1.32 -7.23 0.07 -1.31 120.40 114.94 1nin s VAL 42 Ca 0.09 -1.06 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1nin s VAL 42 Cb -0.11 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1nin s VAL 42 CO 0.01 0.58 0.22 -0.36 -0.31 0.00 0.00 175.10 175.25 1nin s PHE 43 N -0.58 3.42 0.52 2.82 0.40 -1.24 -0.63 117.98 122.69 1nin s PHE 43 Ca 0.09 0.13 0.03 0.00 -0.60 0.00 0.00 56.93 56.58 1nin s PHE 43 Cb -0.10 -1.67 0.03 0.00 0.51 0.00 0.00 43.02 41.79 1nin s PHE 43 CO -0.00 0.54 0.25 -3.47 0.70 0.00 0.00 175.22 173.24 1nin n ASP 44 N -0.19 2.96 -0.10 1.36 2.03 -0.58 -3.96 116.55 118.08 1nin n ASP 44 Ca -0.07 -2.97 -0.12 0.00 0.52 0.00 0.00 54.79 52.15 1nin n ASP 44 Cb 0.53 0.10 -0.11 0.00 -0.72 0.00 0.00 41.12 40.92 1nin n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nin n ALA 45 N -1.71 1.56 -0.05 -1.67 0.00 -1.26 -4.55 120.51 112.82 1nin n ALA 45 Ca -0.18 -1.01 -0.12 0.00 0.00 0.00 0.00 53.44 52.13 1nin n ALA 45 Cb 0.62 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 0.38 0.22 -0.62 0.00 0.00 -1.97 -3.21 119.26 114.06 1nin h ALA 46 Ca -0.47 -0.23 -0.72 0.00 0.00 0.00 0.00 54.91 53.50 1nin h ALA 46 Cb 1.88 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.48 1nin h ALA 46 CO -0.03 -0.04 2.23 1.28 0.00 0.00 0.00 179.25 182.69 1nin n LEU 47 N -4.70 7.91 -3.67 0.00 4.32 -1.26 -4.77 117.00 114.83 1nin n LEU 47 Ca -0.05 -4.80 -0.29 0.00 -0.02 0.00 0.00 56.01 50.84 1nin n LEU 47 Cb 0.25 -1.35 -0.15 0.00 -1.62 0.00 0.00 43.42 40.55 1nin n LEU 47 CO 0.37 2.03 -0.33 0.20 -1.22 0.00 0.00 177.39 178.44 1nin s ASN 48 N 0.40 3.72 0.02 -1.43 0.02 -1.21 -3.80 114.94 112.65 1nin s ASN 48 Ca 0.55 -1.42 -0.01 0.00 -1.02 0.00 0.00 52.86 50.96 1nin s ASN 48 Cb 0.20 -0.65 0.02 0.00 0.02 0.00 0.00 41.25 40.84 1nin s ASN 48 CO -0.11 -0.41 0.12 -2.65 0.02 0.00 0.00 177.10 174.07 1nin n PRO 49 N 5.01 -0.02 -1.20 -0.60 -0.01 -1.26 -0.77 135.00 136.15 1nin n PRO 49 Ca -0.04 0.11 -0.17 0.00 -0.01 0.00 0.00 63.50 63.39 1nin n PRO 49 Cb 0.43 -0.17 0.14 0.00 -0.01 0.00 0.00 33.50 33.89 1nin n PRO 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1nin n ALA 50 N -3.96 5.08 -2.01 3.55 0.00 -1.26 -5.03 120.51 116.89 1nin n ALA 50 Ca 0.01 -3.29 0.00 0.00 0.00 0.00 0.00 53.44 50.15 1nin n ALA 50 Cb 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1nin n ALA 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nin n LYS 51 N -1.02 -0.35 -3.24 0.00 0.00 0.05 -4.86 118.16 108.76 1nin n LYS 51 Ca 0.46 -0.17 -0.41 0.00 -0.00 0.00 0.00 58.31 58.18 1nin n LYS 51 Cb 1.06 0.31 -0.01 0.00 -0.00 0.00 0.00 35.03 36.39 1nin n LYS 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1nin n SER 52 N 0.46 5.61 -0.26 -5.58 3.41 -1.26 -4.89 113.62 111.12 1nin n SER 52 Ca 0.00 -3.25 0.06 0.00 -0.26 0.00 0.00 58.87 55.42 1nin n SER 52 Cb 0.00 -1.23 0.18 0.00 -0.26 0.00 0.00 64.21 62.90 1nin n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nin h ALA 53 N 5.81 0.90 -0.16 7.33 0.00 -1.88 0.15 119.26 131.42 1nin h ALA 53 Ca 0.19 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1nin h ALA 53 Cb 0.73 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1nin h ALA 53 CO 1.12 -0.41 -0.23 0.38 0.00 0.00 0.00 179.25 180.12 1nin h ASP 54 N 0.17 -0.77 0.86 0.00 2.03 -1.96 -0.70 116.42 116.04 1nin h ASP 54 Ca 0.43 0.10 -0.04 0.00 -0.73 0.00 0.00 57.03 56.79 1nin h ASP 54 Cb 0.78 0.31 0.01 0.00 -0.83 0.00 0.00 39.33 39.60 1nin h ASP 54 CO -0.61 -0.17 -0.41 0.25 -1.03 0.00 0.00 179.24 177.26 1nin h LEU 55 N -0.17 -0.98 -0.59 0.15 5.85 -1.82 -1.82 115.31 115.92 1nin h LEU 55 Ca 0.03 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1nin h LEU 55 Cb 0.25 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 1nin h LEU 55 CO -0.24 -0.68 -0.34 0.00 -0.34 0.00 0.00 178.44 176.84 1nin n ALA 56 N -2.62 -0.36 0.04 1.25 0.00 0.46 0.19 120.51 119.47 1nin n ALA 56 Ca -0.15 0.51 -0.20 0.00 0.00 0.00 0.00 53.44 53.60 1nin n ALA 56 Cb 0.46 -0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.70 1nin n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nin h LYS 57 N 0.00 0.48 -0.00 0.00 1.79 -1.13 -0.85 116.57 116.86 1nin h LYS 57 Ca 0.10 -0.60 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1nin h LYS 57 Cb 0.25 0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1nin h LYS 57 CO -0.55 1.23 0.01 0.66 -1.08 0.00 0.00 179.45 179.72 1nin h SER 58 N 0.00 0.00 0.00 0.86 4.64 -0.27 -2.39 113.55 116.40 1nin h SER 58 Ca -0.13 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1nin h SER 58 Cb 1.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1nin h SER 58 CO 0.17 0.00 -0.24 0.25 -0.87 0.00 0.00 176.83 176.14 1nin h LEU 59 N 0.00 0.00 -9.87 5.97 7.12 -0.25 -3.46 115.31 114.82 1nin h LEU 59 Ca 0.00 -0.34 -0.53 0.00 0.13 0.00 0.00 57.88 57.14 1nin h LEU 59 Cb 0.02 0.00 0.08 0.00 -0.53 0.00 0.00 40.66 40.23 1nin h LEU 59 CO -0.00 0.80 0.75 -0.94 -0.13 0.00 0.00 178.44 178.93 1nin s SER 60 N -5.93 6.52 -1.48 1.25 1.04 -0.33 -4.89 113.70 109.88 1nin s SER 60 Ca -0.11 2.87 -0.13 0.00 0.48 0.00 0.00 55.95 59.06 1nin s SER 60 Cb 0.00 -2.65 0.02 0.00 0.10 0.00 0.00 66.02 63.49 1nin s SER 60 CO 0.30 -0.76 2.37 1.57 0.98 0.00 0.00 173.24 177.71 1nin n HIS 61 N 1.14 3.23 0.00 5.02 -0.00 -1.09 -4.79 115.22 118.73 1nin n HIS 61 Ca 0.03 -2.99 0.00 0.00 0.46 0.00 0.00 57.72 55.22 1nin n HIS 61 Cb 0.40 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 27.78 1nin n HIS 61 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1nin n LYS 62 N 5.29 0.00 -0.15 1.57 0.00 -0.43 -3.14 118.16 121.30 1nin n LYS 62 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.88 1nin n LYS 62 Cb 0.35 -0.98 0.00 0.00 0.00 0.00 0.00 35.03 34.40 1nin n LYS 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1nin n GLN 63 N -0.21 0.75 -3.49 1.64 6.02 -1.26 -4.74 117.38 116.09 1nin n GLN 63 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1nin n GLN 63 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1nin n GLN 63 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nin s LEU 64 N 0.00 6.03 -1.03 1.08 1.43 -1.26 -4.10 118.68 120.83 1nin s LEU 64 Ca 0.00 -3.34 -0.23 0.00 -1.03 0.00 0.00 54.13 49.53 1nin s LEU 64 Cb 0.00 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1nin s LEU 64 CO 0.00 -0.33 1.74 -0.76 0.23 0.00 0.00 176.35 177.23 1nin s LEU 65 N -0.82 3.35 -0.25 1.79 1.43 -1.17 -4.74 118.68 118.28 1nin s LEU 65 Ca 0.25 -1.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.13 1nin s LEU 65 Cb -0.11 -2.57 0.60 0.00 0.03 0.00 0.00 46.19 44.15 1nin s LEU 65 CO -0.09 -2.15 1.57 0.23 0.23 0.00 0.00 176.35 176.15 1nin n MET 66 N 8.74 3.32 -3.58 1.70 2.81 -1.26 -0.46 117.12 128.38 1nin n MET 66 Ca 0.39 -2.44 -0.20 0.00 -1.81 0.00 0.00 57.70 53.64 1nin n MET 66 Cb 0.48 -2.04 -0.02 0.00 -0.71 0.00 0.00 33.22 30.93 1nin n MET 66 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1nin s SER 67 N -0.68 5.73 0.63 7.83 0.01 -1.26 -4.85 113.70 121.10 1nin s SER 67 Ca 0.44 -0.30 -0.06 0.00 1.31 0.00 0.00 55.95 57.33 1nin s SER 67 Cb 0.35 -1.13 0.02 0.00 0.21 0.00 0.00 66.02 65.47 1nin s SER 67 CO 0.11 -0.41 0.94 -2.16 0.41 0.00 0.00 173.24 172.13 1nin s PRO 68 N -4.11 2.69 0.00 12.44 0.04 -1.26 -3.99 135.00 140.82 1nin s PRO 68 Ca 0.44 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1nin s PRO 68 Cb -0.08 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1nin s PRO 68 CO 0.30 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1nin n GLY 69 N -2.70 -0.21 0.00 0.56 0.00 0.18 -4.80 105.19 98.22 1nin n GLY 69 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1nin n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nin n GLN 70 N 0.00 0.00 -4.37 1.61 3.00 -1.26 -1.38 117.38 114.97 1nin n GLN 70 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 1nin n GLN 70 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.14 1nin n GLN 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1nin s SER 71 N 0.00 5.21 0.12 1.08 0.15 -1.26 -3.63 113.70 115.38 1nin s SER 71 Ca 0.00 0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.85 1nin s SER 71 Cb 0.00 -1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 62.78 1nin s SER 71 CO 0.00 0.36 -0.09 0.28 1.20 0.00 0.00 173.24 174.99 1nin s THR 72 N -0.78 3.34 -0.15 6.45 -1.32 -1.26 -4.79 115.64 117.14 1nin s THR 72 Ca 0.12 -1.36 -0.01 0.00 -1.21 0.00 0.00 61.69 59.23 1nin s THR 72 Cb -0.11 -2.59 -0.01 0.00 -1.51 0.00 0.00 72.50 68.27 1nin s THR 72 CO 0.02 0.05 -0.11 -0.94 -2.21 0.00 0.00 174.62 171.44 1nin s SER 73 N -2.37 4.12 0.20 8.08 1.04 -1.26 -0.75 113.70 122.76 1nin s SER 73 Ca 0.22 -0.33 0.11 0.00 0.48 0.00 0.00 55.95 56.43 1nin s SER 73 Cb -0.11 -1.65 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 1nin s SER 73 CO 0.14 0.13 -0.18 0.28 0.98 0.00 0.00 173.24 174.59 1nin s THR 74 N 0.57 2.66 0.28 2.02 -1.32 0.26 -4.94 115.64 115.16 1nin s THR 74 Ca -0.07 -1.97 0.11 0.00 -1.21 0.00 0.00 61.69 58.55 1nin s THR 74 Cb -0.15 -2.31 -0.05 0.00 -1.51 0.00 0.00 72.50 68.48 1nin s THR 74 CO 0.03 -0.16 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.26 1nin s THR 75 N -1.81 2.80 -0.64 5.08 2.01 -1.26 -0.95 115.64 120.86 1nin s THR 75 Ca 0.24 -2.23 0.05 0.00 0.31 0.00 0.00 61.69 60.05 1nin s THR 75 Cb -0.08 -2.50 0.30 0.00 0.01 0.00 0.00 72.50 70.24 1nin s THR 75 CO 0.12 -0.38 0.93 0.49 -0.69 0.00 0.00 174.62 175.10 1nin n PHE 76 N -0.72 3.78 -2.36 4.92 3.72 -0.98 -4.98 117.46 120.83 1nin n PHE 76 Ca -0.05 -3.94 0.00 0.00 -0.05 0.00 0.00 57.45 53.41 1nin n PHE 76 Cb 0.60 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1nin n PHE 76 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1nin n PRO 77 N 0.25 1.13 -3.46 -1.08 -0.05 -1.26 -3.22 135.00 127.32 1nin n PRO 77 Ca 0.31 0.00 -0.21 0.00 -0.05 0.00 0.00 63.50 63.55 1nin n PRO 77 Cb 0.39 0.00 0.06 0.00 -0.05 0.00 0.00 33.50 33.90 1nin n PRO 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1nin n ALA 78 N -3.00 -2.42 0.00 0.55 0.00 -1.26 -3.87 120.51 110.51 1nin n ALA 78 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1nin n ALA 78 Cb 0.00 -4.60 0.00 0.00 0.00 0.00 0.00 19.45 14.85 1nin n ALA 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nin n ASP 79 N -3.02 0.00 -4.47 0.00 9.92 -1.26 -4.74 116.55 112.98 1nin n ASP 79 Ca -0.12 0.00 -0.46 0.00 -0.53 0.00 0.00 54.79 53.68 1nin n ASP 79 Cb 0.62 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.08 1nin n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nin n ALA 80 N 0.00 -1.84 -0.98 2.24 0.00 -1.25 -4.77 120.51 113.91 1nin n ALA 80 Ca 0.00 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 1nin n ALA 80 Cb 0.00 -1.76 -0.09 0.00 0.00 0.00 0.00 19.45 17.60 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 0.88 0.77 -0.97 0.00 -0.04 -1.26 -4.67 135.00 129.72 1nin n PRO 81 Ca 0.14 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1nin n PRO 81 Cb 0.29 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 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 9.57 -0.31 -3.00 0.55 0.00 -1.26 -4.81 120.51 121.26 1nin n ALA 82 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1nin n ALA 82 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.30 5.67 3.75 0.00 0.00 -1.23 -4.59 105.19 108.49 1nin n GLY 83 Ca 0.00 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 1nin n GLY 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nin s GLU 84 N 1.73 3.21 -0.32 1.61 -1.05 -1.26 -0.74 118.70 121.87 1nin s GLU 84 Ca 0.00 -0.31 0.06 0.00 -0.15 0.00 0.00 54.97 54.58 1nin s GLU 84 Cb 0.00 -2.96 0.46 0.00 -0.44 0.00 0.00 34.13 31.19 1nin s GLU 84 CO 0.00 0.70 1.26 0.66 0.95 0.00 0.00 175.26 178.83 1nin n TYR 85 N 2.18 2.77 -0.16 4.83 4.01 -0.41 -4.21 117.16 126.18 1nin n TYR 85 Ca -0.19 -2.28 -0.06 0.00 -0.16 0.00 0.00 57.90 55.20 1nin n TYR 85 Cb 0.54 -0.43 -0.01 0.00 -0.31 0.00 0.00 39.34 39.13 1nin n TYR 85 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1nin n THR 86 N -0.73 0.00 -5.03 -0.72 -1.04 -1.25 -4.52 114.28 101.00 1nin n THR 86 Ca 0.45 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 62.17 1nin n THR 86 Cb 0.94 -0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 69.28 1nin n THR 86 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1nin s PHE 87 N 0.03 2.16 0.02 -1.42 -0.12 0.44 -1.52 117.98 117.57 1nin s PHE 87 Ca 0.10 -0.79 0.08 0.00 -0.05 0.00 0.00 56.93 56.27 1nin s PHE 87 Cb -0.13 -1.46 -0.03 0.00 -0.63 0.00 0.00 43.02 40.77 1nin s PHE 87 CO 0.06 -0.31 -0.24 1.52 -0.05 0.00 0.00 175.22 176.21 1nin s TYR 88 N 0.27 2.41 -0.92 3.49 1.13 0.20 -0.01 117.35 123.92 1nin s TYR 88 Ca -0.13 -0.36 0.01 0.00 -1.41 0.00 0.00 57.07 55.17 1nin s TYR 88 Cb -0.16 -1.45 0.32 0.00 -1.10 0.00 0.00 41.96 39.58 1nin s TYR 88 CO 0.06 0.12 1.60 0.00 -2.51 0.00 0.00 175.55 174.83 1nin n GLU 90 N -0.10 0.00 -0.00 0.00 -0.58 -1.19 -0.13 120.64 118.63 1nin n GLU 90 Ca 0.43 0.00 0.21 0.00 -0.42 0.00 0.00 57.16 57.38 1nin n GLU 90 Cb 0.29 0.00 0.50 0.00 -0.57 0.00 0.00 31.44 31.67 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 -0.29 3.49 0.13 -1.82 0.60 132.00 134.11 1nin h PRO 91 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1nin h PRO 91 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1nin h PRO 91 CO 0.00 0.00 -0.09 0.72 -0.23 0.00 0.00 178.00 178.40 1nin n HIS 92 N -3.24 0.93 -0.74 1.56 8.25 0.82 -4.82 115.22 117.98 1nin n HIS 92 Ca 0.13 -1.45 -0.07 0.00 -0.26 0.00 0.00 57.72 56.08 1nin n HIS 92 Cb 1.10 -0.43 -0.04 0.00 1.12 0.00 0.00 29.99 31.74 1nin n HIS 92 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1nin n ARG 93 N -1.04 1.44 0.01 -0.41 1.85 0.20 -2.67 116.66 116.03 1nin n ARG 93 Ca 0.29 -0.61 -0.02 0.00 -1.00 0.00 0.00 57.85 56.51 1nin n ARG 93 Cb 0.97 -1.40 -0.01 0.00 -1.05 0.00 0.00 32.46 30.97 1nin n ARG 93 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nin n GLY 94 N 1.54 -0.07 2.60 2.89 0.00 -1.26 -4.67 105.19 106.22 1nin n GLY 94 Ca 0.18 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.35 6.28 -2.86 4.61 0.00 -1.21 -4.87 120.51 119.12 1nin n ALA 95 Ca -0.04 -4.45 0.00 0.00 0.00 0.00 0.00 53.44 48.95 1nin n ALA 95 Cb 0.33 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 0.40 0.00 2.79 0.00 0.00 -1.26 -4.76 105.19 102.36 1nin n GLY 96 Ca 0.51 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.14 1nin n GLY 96 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nin n MET 97 N -0.85 2.41 -5.11 1.61 0.00 -1.09 -4.80 117.12 109.29 1nin n MET 97 Ca 0.00 -2.15 -0.30 0.00 -0.00 0.00 0.00 57.70 55.24 1nin n MET 97 Cb 0.00 -3.00 -0.17 0.00 0.00 0.00 0.00 33.22 30.05 1nin n MET 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1nin s VAL 98 N 3.71 1.88 0.16 1.12 1.01 -1.26 -1.10 120.40 125.92 1nin s VAL 98 Ca 0.53 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1nin s VAL 98 Cb 0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1nin s VAL 98 CO -0.01 0.52 -0.23 -0.83 0.00 0.00 0.00 175.10 174.55 1nin s GLY 99 N 0.33 1.56 -0.62 4.51 0.00 0.98 -4.90 107.32 109.18 1nin s GLY 99 Ca -0.16 -1.51 0.05 0.00 0.00 0.00 0.00 44.72 43.09 1nin s GLY 99 CO 0.07 -1.53 0.93 0.28 0.00 0.00 0.00 173.10 172.85 1nin n LYS 100 N 0.56 3.13 -1.67 2.90 5.02 0.31 -0.42 118.16 127.99 1nin n LYS 100 Ca -0.15 -4.80 -0.52 0.00 -2.02 0.00 0.00 58.31 50.82 1nin n LYS 100 Cb 0.55 -2.26 -0.06 0.00 -0.02 0.00 0.00 35.03 33.24 1nin n LYS 100 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1nin n ILE 101 N 0.11 0.44 -4.60 -0.18 3.06 -1.26 -4.32 119.36 112.61 1nin n ILE 101 Ca 0.31 -0.10 -0.34 0.00 -2.50 0.00 0.00 62.75 60.12 1nin n ILE 101 Cb 0.39 -1.62 -0.11 0.00 0.54 0.00 0.00 39.64 38.84 1nin n ILE 101 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1nin s THR 102 N 4.23 3.75 -0.18 9.51 2.01 -0.09 -1.29 115.64 133.59 1nin s THR 102 Ca 0.97 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 1nin s THR 102 Cb -0.85 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 1nin s THR 102 CO 0.57 0.60 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.36 1nin s VAL 103 N -0.82 3.61 0.00 3.82 1.01 0.08 0.24 120.40 128.34 1nin s VAL 103 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1nin s VAL 103 Cb -0.11 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1nin s VAL 103 CO 0.02 0.46 0.00 0.00 0.00 0.00 0.00 175.10 175.57 1nin n ALA 104 N 4.13 2.29 -1.04 5.51 0.00 -0.05 -3.53 120.51 127.81 1nin n ALA 104 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1nin n ALA 104 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91