#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 -2.72 3.84 -2.24 0.99 -4.27 114.28 109.88 1nin n THR 2 Ca 0.00 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 1nin n THR 2 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1nin n THR 2 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1nin s TYR 3 N 0.67 3.18 -0.67 4.78 2.02 -0.78 -4.58 117.35 121.96 1nin s TYR 3 Ca 0.00 1.12 -0.25 0.00 -0.37 0.00 0.00 57.07 57.56 1nin s TYR 3 Cb 0.00 -3.53 -0.13 0.00 -0.40 0.00 0.00 41.96 37.91 1nin s TYR 3 CO 0.00 -0.69 2.43 2.41 -1.57 0.00 0.00 175.55 178.14 1nin n THR 4 N 5.73 -0.05 -3.69 -0.71 -1.04 -1.26 -1.25 114.28 112.01 1nin n THR 4 Ca 0.10 -0.60 -0.36 0.00 -2.04 0.00 0.00 64.05 61.14 1nin n THR 4 Cb 0.47 -2.12 -0.07 0.00 -1.82 0.00 0.00 70.33 66.80 1nin n THR 4 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1nin s VAL 5 N 11.90 5.36 -0.18 12.58 1.01 0.91 -4.79 120.40 147.19 1nin s VAL 5 Ca 1.03 0.39 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 1nin s VAL 5 Cb -0.33 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1nin s VAL 5 CO 0.25 0.51 -0.09 -0.75 0.00 0.00 0.00 175.10 175.02 1nin s LYS 6 N -0.28 3.36 -1.15 2.72 2.20 0.13 -1.15 119.74 125.57 1nin s LYS 6 Ca 0.15 -0.66 -0.07 0.00 -0.36 0.00 0.00 55.97 55.03 1nin s LYS 6 Cb -0.13 -2.84 0.26 0.00 -1.51 0.00 0.00 37.83 33.61 1nin s LYS 6 CO 0.04 -0.04 1.49 1.47 -0.36 0.00 0.00 175.35 177.95 1nin n LEU 7 N 4.30 6.17 0.00 5.43 -0.00 -1.23 -0.80 117.00 130.87 1nin n LEU 7 Ca -0.18 -4.97 0.00 0.00 -0.00 0.00 0.00 56.01 50.85 1nin n LEU 7 Cb 0.51 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 42.54 1nin n LEU 7 CO 0.29 1.45 0.00 0.61 -0.00 0.00 0.00 177.39 179.74 1nin n GLY 8 N 2.22 2.95 0.61 1.47 0.00 0.41 -4.66 105.19 108.20 1nin n GLY 8 Ca 0.30 -1.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 0.00 0.94 -0.08 1.61 2.88 -0.32 -4.74 113.62 113.91 1nin n SER 9 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1nin n SER 9 Cb 0.00 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1nin n SER 9 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1nin n ASP 10 N -3.46 0.88 -1.30 -3.46 2.03 -1.24 -4.73 116.55 105.26 1nin n ASP 10 Ca -0.22 -0.06 0.03 0.00 0.52 0.00 0.00 54.79 55.06 1nin n ASP 10 Cb 0.66 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.28 1nin n ASP 10 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1nin n LYS 11 N 0.00 3.07 0.00 -0.67 0.00 -1.26 -4.02 118.16 115.29 1nin n LYS 11 Ca 0.00 -1.74 0.00 0.00 -0.00 0.00 0.00 58.31 56.57 1nin n LYS 11 Cb 0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 35.03 33.12 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 0.30 0.00 3.28 2.58 0.00 -1.26 -5.02 105.19 105.07 1nin n GLY 12 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1nin n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1nin s LEU 13 N -4.99 3.58 -1.10 0.99 2.34 -1.26 -5.01 118.68 113.24 1nin s LEU 13 Ca 0.00 -0.80 -0.04 0.00 0.06 0.00 0.00 54.13 53.35 1nin s LEU 13 Cb 0.00 -1.79 0.18 0.00 -0.56 0.00 0.00 46.19 44.03 1nin s LEU 13 CO 0.00 -0.17 2.26 0.18 -1.06 0.00 0.00 176.35 177.56 1nin n LEU 14 N 4.78 7.62 -5.00 1.48 4.77 -1.26 -1.17 117.00 128.21 1nin n LEU 14 Ca -0.15 -4.92 -0.17 0.00 -0.03 0.00 0.00 56.01 50.73 1nin n LEU 14 Cb 0.47 -1.27 0.01 0.00 -2.33 0.00 0.00 43.42 40.30 1nin n LEU 14 CO 0.29 2.00 0.13 -0.69 -1.33 0.00 0.00 177.39 177.79 1nin s VAL 15 N -2.46 3.18 -0.26 4.08 1.01 -1.26 -3.81 120.40 120.87 1nin s VAL 15 Ca 0.50 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1nin s VAL 15 Cb 0.23 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1nin s VAL 15 CO -0.14 -0.03 0.03 -0.36 0.00 0.00 0.00 175.10 174.60 1nin s PHE 16 N -2.32 3.08 -0.30 5.22 0.40 -1.26 0.16 117.98 122.95 1nin s PHE 16 Ca 0.53 -0.98 -0.08 0.00 -0.60 0.00 0.00 56.93 55.80 1nin s PHE 16 Cb -0.10 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.25 1nin s PHE 16 CO 0.33 -0.56 0.11 -1.21 0.70 0.00 0.00 175.22 174.58 1nin s GLU 17 N 1.48 3.16 -0.22 0.44 2.02 0.02 -0.53 118.70 125.07 1nin s GLU 17 Ca 0.03 -0.82 0.07 0.00 0.02 0.00 0.00 54.97 54.27 1nin s GLU 17 Cb -0.16 -3.45 0.54 0.00 0.10 0.00 0.00 34.13 31.15 1nin s GLU 17 CO 0.00 -0.45 1.48 -0.35 0.02 0.00 0.00 175.26 175.96 1nin n PRO 18 N 4.91 3.04 0.00 0.39 -0.04 -1.26 -0.69 135.00 141.35 1nin n PRO 18 Ca -0.14 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1nin n PRO 18 Cb 0.48 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1nin n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 19 N 0.03 0.00 -3.71 0.55 0.00 0.30 -4.81 120.51 112.87 1nin n ALA 19 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 1nin n ALA 19 Cb 1.07 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.38 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 0.00 3.04 -0.28 0.00 -2.85 -1.26 -0.64 119.74 117.75 1nin s LYS 20 Ca 0.00 -0.84 -0.01 0.00 -1.00 0.00 0.00 55.97 54.13 1nin s LYS 20 Cb 0.00 -2.93 0.05 0.00 -2.06 0.00 0.00 37.83 32.89 1nin s LYS 20 CO 0.00 -0.30 -0.03 -1.17 0.10 0.00 0.00 175.35 173.94 1nin s LEU 21 N 1.37 3.66 -0.78 2.77 0.20 0.06 -5.01 118.68 120.96 1nin s LEU 21 Ca 0.03 -1.22 -0.20 0.00 0.69 0.00 0.00 54.13 53.44 1nin s LEU 21 Cb -0.15 -1.67 0.11 0.00 -0.43 0.00 0.00 46.19 44.05 1nin s LEU 21 CO -0.05 -0.22 0.98 -0.89 -0.29 0.00 0.00 176.35 175.87 1nin s THR 22 N 1.24 4.67 0.49 3.68 2.01 -1.26 -0.01 115.64 126.46 1nin s THR 22 Ca -0.05 -1.15 -0.01 0.00 0.31 0.00 0.00 61.69 60.79 1nin s THR 22 Cb -0.19 -4.68 -0.00 0.00 0.01 0.00 0.00 72.50 67.64 1nin s THR 22 CO -0.03 -1.40 0.74 0.27 -0.69 0.00 0.00 174.62 173.52 1nin s ILE 23 N 2.97 3.90 0.02 1.82 -4.36 0.40 -4.89 121.20 121.05 1nin s ILE 23 Ca 0.25 -0.34 0.05 0.00 -0.26 0.00 0.00 60.65 60.34 1nin s ILE 23 Cb -0.12 -3.47 -0.03 0.00 1.25 0.00 0.00 42.46 40.08 1nin s ILE 23 CO -0.01 -0.38 -0.13 -1.59 0.24 0.00 0.00 174.94 173.08 1nin s LYS 24 N -4.68 2.31 -0.10 0.37 0.00 -1.26 -0.22 119.74 116.15 1nin s LYS 24 Ca 0.50 -0.85 -0.01 0.00 0.00 0.00 0.00 55.97 55.61 1nin s LYS 24 Cb -0.10 -2.33 -0.03 0.00 0.00 0.00 0.00 37.83 35.36 1nin s LYS 24 CO 0.40 0.57 0.34 -0.35 0.00 0.00 0.00 175.35 176.32 1nin n PRO 25 N 1.61 0.00 0.00 1.78 -0.04 -1.26 -1.73 135.00 135.36 1nin n PRO 25 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1nin n PRO 25 Cb 0.52 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 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 1.12 2.77 0.00 0.55 0.00 -1.26 -5.06 105.19 103.32 1nin n GLY 26 Ca 0.07 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 -4.68 1.61 -0.08 -0.71 -1.36 116.55 111.34 1nin n ASP 27 Ca 0.00 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.85 1nin n ASP 27 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 1nin n ASP 27 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1nin n THR 28 N 0.00 1.92 -4.57 5.18 -1.04 -1.26 -4.58 114.28 109.92 1nin n THR 28 Ca 0.00 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.05 61.24 1nin n THR 28 Cb 0.00 -1.47 -0.14 0.00 -1.82 0.00 0.00 70.33 66.90 1nin n THR 28 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1nin s VAL 29 N -1.01 2.19 -0.08 12.58 1.01 0.57 -0.00 120.40 135.66 1nin s VAL 29 Ca 0.57 -1.62 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1nin s VAL 29 Cb -0.60 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1nin s VAL 29 CO 0.61 0.18 -0.19 -0.70 0.00 0.00 0.00 175.10 175.00 1nin s GLU 30 N -1.76 2.78 -0.43 2.72 2.12 -0.38 -0.71 118.70 123.04 1nin s GLU 30 Ca 0.13 -0.78 -0.06 0.00 0.36 0.00 0.00 54.97 54.62 1nin s GLU 30 Cb -0.10 -2.36 0.11 0.00 0.26 0.00 0.00 34.13 32.04 1nin s GLU 30 CO 0.05 0.40 0.25 -0.06 -0.54 0.00 0.00 175.26 175.36 1nin s PHE 31 N -0.17 3.51 -0.22 5.30 0.40 0.67 -0.06 117.98 127.40 1nin s PHE 31 Ca -0.02 -2.15 -0.14 0.00 -0.60 0.00 0.00 56.93 54.02 1nin s PHE 31 Cb -0.14 -3.28 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 1nin s PHE 31 CO 0.03 -0.97 0.32 -1.17 0.70 0.00 0.00 175.22 174.14 1nin s LEU 32 N 1.24 4.13 0.00 -0.37 0.20 -0.30 -2.23 118.68 121.35 1nin s LEU 32 Ca 0.07 0.37 -0.02 0.00 0.69 0.00 0.00 54.13 55.23 1nin s LEU 32 Cb -0.24 -2.38 -0.08 0.00 -0.43 0.00 0.00 46.19 43.06 1nin s LEU 32 CO -0.02 -0.04 1.43 -3.20 -0.29 0.00 0.00 176.35 174.23 1nin n ASN 33 N 4.50 1.57 0.00 3.68 5.15 0.28 -3.49 115.26 126.95 1nin n ASN 33 Ca -0.10 -1.79 0.00 0.00 -0.60 0.00 0.00 54.58 52.08 1nin n ASN 33 Cb 0.51 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 1nin n ASN 33 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1nin n ASN 34 N 2.85 0.00 -0.53 1.20 5.15 -1.26 -0.14 115.26 122.52 1nin n ASN 34 Ca 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 1nin n ASN 34 Cb 0.28 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 1nin n ASN 34 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1nin n LYS 35 N -0.46 0.00 -1.95 1.20 5.02 -1.26 -4.14 118.16 116.57 1nin n LYS 35 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1nin n LYS 35 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1nin n LYS 35 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1nin n VAL 36 N 0.00 0.00 -0.75 -0.18 0.24 -1.26 -4.92 118.33 111.46 1nin n VAL 36 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.10 1nin n VAL 36 Cb 0.00 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.44 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 -0.38 -0.82 -3.33 7.34 -0.04 -1.26 -4.76 135.00 131.75 1nin n PRO 37 Ca 0.00 -0.24 -0.38 0.00 -0.04 0.00 0.00 63.50 62.84 1nin n PRO 37 Cb 0.00 -1.21 -0.06 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.58 4.31 -0.39 0.54 0.04 -1.26 -5.06 135.00 130.60 1nin s PRO 38 Ca 0.27 0.45 -0.09 0.00 0.04 0.00 0.00 61.00 61.67 1nin s PRO 38 Cb 0.00 -3.42 0.05 0.00 0.04 0.00 0.00 34.50 31.18 1nin s PRO 38 CO 0.36 0.21 0.22 -1.01 0.04 0.00 0.00 177.00 176.81 1nin s HIS 39 N 0.46 3.29 -0.29 0.56 3.76 -1.26 -4.53 115.29 117.28 1nin s HIS 39 Ca 0.26 -1.29 -0.03 0.00 -0.15 0.00 0.00 55.06 53.84 1nin s HIS 39 Cb -0.15 -2.65 0.03 0.00 1.11 0.00 0.00 32.58 30.92 1nin s HIS 39 CO 0.11 -0.75 0.01 1.21 -0.85 0.00 0.00 174.74 174.47 1nin s ASN 40 N 1.79 4.82 -0.25 1.40 3.84 -1.26 -2.58 114.94 122.70 1nin s ASN 40 Ca 0.02 -1.02 -0.08 0.00 0.21 0.00 0.00 52.86 51.98 1nin s ASN 40 Cb -0.21 -1.75 -0.04 0.00 -0.55 0.00 0.00 41.25 38.70 1nin s ASN 40 CO 0.04 -0.22 0.11 0.68 -2.79 0.00 0.00 177.10 174.92 1nin s VAL 41 N 1.34 4.67 0.02 -5.21 -7.23 -1.26 -2.33 120.40 110.40 1nin s VAL 41 Ca -0.02 -0.05 0.03 0.00 -1.81 0.00 0.00 61.98 60.13 1nin s VAL 41 Cb -0.18 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 1nin s VAL 41 CO -0.01 0.32 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.39 1nin s VAL 42 N 1.53 3.94 0.61 1.32 1.01 0.12 -1.35 120.40 127.58 1nin s VAL 42 Ca 0.06 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1nin s VAL 42 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1nin s VAL 42 CO 0.06 0.33 1.03 -0.36 0.00 0.00 0.00 175.10 176.16 1nin s PHE 43 N -1.10 3.34 0.84 5.22 0.08 -1.26 -0.36 117.98 124.74 1nin s PHE 43 Ca 0.20 1.41 -0.09 0.00 0.12 0.00 0.00 56.93 58.57 1nin s PHE 43 Cb -0.11 -2.83 0.16 0.00 -0.57 0.00 0.00 43.02 39.67 1nin s PHE 43 CO 0.11 -0.83 1.16 0.16 -0.10 0.00 0.00 175.22 175.72 1nin s ASP 44 N -3.57 3.76 0.00 1.36 1.47 0.15 -4.67 116.67 115.18 1nin s ASP 44 Ca 0.58 0.00 0.04 0.00 1.18 0.00 0.00 52.55 54.36 1nin s ASP 44 Cb -0.12 -0.23 0.06 0.00 -0.34 0.00 0.00 42.92 42.29 1nin s ASP 44 CO 0.46 -2.28 0.78 0.00 0.68 0.00 0.00 175.17 174.81 1nin n ALA 45 N -3.31 2.36 -0.02 2.11 0.00 -1.26 -4.61 120.51 115.77 1nin n ALA 45 Ca 0.15 -0.70 -0.04 0.00 0.00 0.00 0.00 53.44 52.84 1nin n ALA 45 Cb 0.60 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 1nin n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nin n ALA 46 N 0.12 1.75 -1.72 0.00 0.00 -1.26 -4.77 120.51 114.63 1nin n ALA 46 Ca 0.03 -0.42 -0.40 0.00 0.00 0.00 0.00 53.44 52.65 1nin n ALA 46 Cb 0.17 0.11 -0.01 0.00 0.00 0.00 0.00 19.45 19.72 1nin n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nin n LEU 47 N -3.84 8.23 -3.81 0.00 4.32 -1.26 -4.78 117.00 115.86 1nin n LEU 47 Ca -0.07 -4.63 -0.28 0.00 -0.02 0.00 0.00 56.01 51.01 1nin n LEU 47 Cb 0.25 -1.46 -0.12 0.00 -1.62 0.00 0.00 43.42 40.47 1nin n LEU 47 CO 0.10 1.99 -0.09 0.21 -1.22 0.00 0.00 177.39 178.39 1nin s ASN 48 N 1.26 4.22 0.04 -1.43 2.47 -1.26 -3.70 114.94 116.55 1nin s ASN 48 Ca 0.59 -3.72 -0.01 0.00 0.42 0.00 0.00 52.86 50.15 1nin s ASN 48 Cb 0.18 -1.42 0.06 0.00 -1.45 0.00 0.00 41.25 38.62 1nin s ASN 48 CO -0.07 -0.10 0.22 -0.81 -3.72 0.00 0.00 177.10 172.62 1nin n PRO 49 N 2.13 -0.02 -1.49 0.43 -0.04 -1.26 -0.40 135.00 134.35 1nin n PRO 49 Ca 0.21 0.22 -0.32 0.00 -0.04 0.00 0.00 63.50 63.58 1nin n PRO 49 Cb 0.37 -0.33 -0.05 0.00 -0.04 0.00 0.00 33.50 33.45 1nin n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 50 N -3.94 6.91 -0.00 0.55 0.00 -1.26 -4.82 120.51 117.94 1nin n ALA 50 Ca 0.02 -3.28 0.00 0.00 0.00 0.00 0.00 53.44 50.18 1nin n ALA 50 Cb 0.07 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.76 1nin n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nin n LYS 51 N 2.30 -0.00 -2.89 0.00 3.00 0.47 -4.82 118.16 116.22 1nin n LYS 51 Ca 0.61 -0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.76 1nin n LYS 51 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.46 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 0.00 2.03 0.04 3.14 3.41 -1.23 -5.06 113.62 115.95 1nin n SER 52 Ca 0.00 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1nin n SER 52 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1nin n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nin n ALA 53 N -2.31 3.00 -0.08 7.33 0.00 -1.26 -4.73 120.51 122.46 1nin n ALA 53 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1nin n ALA 53 Cb 0.39 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -3.04 0.00 -0.02 0.00 5.75 -1.26 -1.85 116.55 116.12 1nin n ASP 54 Ca 0.00 0.91 -0.01 0.00 -0.01 0.00 0.00 54.79 55.68 1nin n ASP 54 Cb 0.17 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 39.81 1nin n ASP 54 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1nin h LEU 55 N 0.00 -0.21 -0.82 -2.12 7.12 -1.98 0.35 115.31 117.66 1nin h LEU 55 Ca 0.00 0.03 0.08 0.00 0.13 0.00 0.00 57.88 58.11 1nin h LEU 55 Cb 0.00 0.09 -0.10 0.00 -0.53 0.00 0.00 40.66 40.12 1nin h LEU 55 CO 0.00 -0.04 -0.48 0.00 -0.13 0.00 0.00 178.44 177.79 1nin n ALA 56 N -2.83 -0.51 0.21 1.25 0.00 -1.07 -0.13 120.51 117.43 1nin n ALA 56 Ca -0.00 0.70 0.10 0.00 0.00 0.00 0.00 53.44 54.24 1nin n ALA 56 Cb 0.03 -0.12 0.29 0.00 0.00 0.00 0.00 19.45 19.65 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 0.00 -0.51 0.00 1.79 -1.12 -0.81 116.57 115.92 1nin h LYS 57 Ca 0.14 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.52 1nin h LYS 57 Cb 0.34 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1nin h LYS 57 CO -0.77 0.19 -0.04 1.03 -1.08 0.00 0.00 179.45 178.77 1nin h SER 58 N 0.00 0.92 0.47 0.86 0.87 0.29 -3.30 113.55 113.66 1nin h SER 58 Ca -0.00 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 1nin h SER 58 Cb 0.96 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1nin h SER 58 CO 0.02 1.02 -0.23 0.25 -0.53 0.00 0.00 176.83 177.37 1nin h LEU 59 N 0.79 -0.54 -9.44 2.23 5.85 -0.29 -3.48 115.31 110.43 1nin h LEU 59 Ca 0.14 -0.06 -0.44 0.00 0.84 0.00 0.00 57.88 58.36 1nin h LEU 59 Cb 0.58 0.14 0.23 0.00 0.37 0.00 0.00 40.66 41.98 1nin h LEU 59 CO 0.03 -0.13 -1.43 -1.20 -0.34 0.00 0.00 178.44 175.38 1nin n SER 60 N -5.21 -2.58 -4.77 1.25 7.64 -0.33 -4.98 113.62 104.64 1nin n SER 60 Ca -0.09 -0.13 -0.30 0.00 1.01 0.00 0.00 58.87 59.36 1nin n SER 60 Cb 0.29 -0.82 0.10 0.00 -1.01 0.00 0.00 64.21 62.77 1nin n SER 60 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nin s HIS 61 N -2.16 2.65 0.00 1.43 3.76 -0.46 -4.94 115.29 115.57 1nin s HIS 61 Ca 0.49 1.31 0.00 0.00 -0.15 0.00 0.00 55.06 56.71 1nin s HIS 61 Cb -0.05 -3.08 0.00 0.00 1.11 0.00 0.00 32.58 30.55 1nin s HIS 61 CO 0.63 -1.90 0.00 1.63 -0.85 0.00 0.00 174.74 174.24 1nin n LYS 62 N -3.56 1.06 -1.42 1.40 5.02 -1.26 -4.60 118.16 114.80 1nin n LYS 62 Ca 0.08 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.29 1nin n LYS 62 Cb 0.55 -0.72 0.03 0.00 -0.02 0.00 0.00 35.03 34.87 1nin n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nin n GLN 63 N -1.46 0.58 -4.42 1.97 0.00 -1.26 -5.06 117.38 107.73 1nin n GLN 63 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 57.00 55.85 1nin n GLN 63 Cb 0.22 -0.16 -0.10 0.00 0.00 0.00 0.00 30.24 30.20 1nin n GLN 63 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 1nin s LEU 64 N 0.00 2.49 -1.36 2.61 0.05 -1.26 -4.62 118.68 116.59 1nin s LEU 64 Ca 0.21 -1.16 -0.12 0.00 0.05 0.00 0.00 54.13 53.11 1nin s LEU 64 Cb -0.01 -0.65 0.11 0.00 -2.05 0.00 0.00 46.19 43.58 1nin s LEU 64 CO 0.14 -0.31 2.00 0.18 -0.55 0.00 0.00 176.35 177.81 1nin n LEU 65 N -0.55 6.58 0.28 1.48 4.77 -1.07 -4.79 117.00 123.70 1nin n LEU 65 Ca -0.06 -4.38 0.18 0.00 -0.03 0.00 0.00 56.01 51.72 1nin n LEU 65 Cb 0.63 -1.58 0.90 0.00 -2.33 0.00 0.00 43.42 41.04 1nin n LEU 65 CO 0.39 1.16 1.15 -0.03 -1.33 0.00 0.00 177.39 178.73 1nin h MET 66 N 6.03 0.00 -3.65 3.23 4.05 -1.96 -3.38 114.93 119.24 1nin h MET 66 Ca 0.47 0.00 -0.75 0.00 -0.28 0.00 0.00 59.70 59.14 1nin h MET 66 Cb 0.66 0.00 -0.31 0.00 -0.80 0.00 0.00 31.60 31.15 1nin h MET 66 CO 1.71 0.00 -0.05 -1.12 0.23 0.00 0.00 176.91 177.68 1nin s SER 67 N -5.00 6.20 -0.11 1.39 0.01 -1.26 -5.05 113.70 109.88 1nin s SER 67 Ca -0.04 -2.97 -0.10 0.00 1.31 0.00 0.00 55.95 54.15 1nin s SER 67 Cb 0.12 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1nin s SER 67 CO 0.40 -0.42 0.43 -2.65 0.41 0.00 0.00 173.24 171.40 1nin n PRO 68 N 3.47 0.00 0.00 12.44 -0.01 -1.26 -0.67 135.00 148.97 1nin n PRO 68 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.63 1nin n PRO 68 Cb 0.42 -0.33 0.00 0.00 -0.01 0.00 0.00 33.50 33.58 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 1.40 3.17 0.00 -1.23 0.00 0.80 -5.02 105.19 104.31 1nin n GLY 69 Ca 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 -3.18 1.61 7.27 0.16 -3.04 117.38 120.19 1nin n GLN 70 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 57.00 56.62 1nin n GLN 70 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 1nin n GLN 70 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1nin s SER 71 N 0.00 6.38 -0.12 1.69 1.04 -1.26 -0.56 113.70 120.87 1nin s SER 71 Ca 0.00 -1.89 -0.01 0.00 0.48 0.00 0.00 55.95 54.53 1nin s SER 71 Cb 0.00 -2.27 -0.02 0.00 0.10 0.00 0.00 66.02 63.82 1nin s SER 71 CO 0.00 -0.93 -0.08 0.28 0.98 0.00 0.00 173.24 173.50 1nin s THR 72 N 1.86 3.58 0.21 2.02 -1.32 -0.95 -4.97 115.64 116.07 1nin s THR 72 Ca 0.14 -0.49 0.10 0.00 -1.21 0.00 0.00 61.69 60.23 1nin s THR 72 Cb -0.20 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.24 1nin s THR 72 CO -0.00 0.54 -0.12 -0.55 -2.21 0.00 0.00 174.62 172.28 1nin s SER 73 N -0.06 4.06 -0.01 8.08 0.15 -1.26 -0.24 113.70 124.42 1nin s SER 73 Ca -0.00 -0.69 0.02 0.00 0.70 0.00 0.00 55.95 55.97 1nin s SER 73 Cb -0.13 -0.60 -0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1nin s SER 73 CO 0.03 0.09 -0.05 -0.89 1.20 0.00 0.00 173.24 173.62 1nin s THR 74 N -1.87 0.40 0.20 6.45 2.01 0.12 -4.99 115.64 117.95 1nin s THR 74 Ca 0.26 -0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.13 1nin s THR 74 Cb -0.08 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1nin s THR 74 CO 0.15 0.12 0.02 -0.89 -0.69 0.00 0.00 174.62 173.32 1nin s THR 75 N -0.06 3.73 -0.73 -0.82 2.01 -1.26 -0.32 115.64 118.19 1nin s THR 75 Ca 0.01 -1.52 -0.03 0.00 0.31 0.00 0.00 61.69 60.46 1nin s THR 75 Cb -0.03 -2.91 0.18 0.00 0.01 0.00 0.00 72.50 69.76 1nin s THR 75 CO -0.00 -0.19 0.57 -0.36 -0.69 0.00 0.00 174.62 173.95 1nin s PHE 76 N -1.89 3.58 0.00 4.92 0.40 -0.46 -4.84 117.98 119.69 1nin s PHE 76 Ca 0.29 -2.82 0.00 0.00 -0.60 0.00 0.00 56.93 53.79 1nin s PHE 76 Cb -0.09 -3.22 0.00 0.00 0.51 0.00 0.00 43.02 40.23 1nin s PHE 76 CO 0.19 -0.80 0.00 -2.30 0.70 0.00 0.00 175.22 173.01 1nin n PRO 77 N 3.05 0.00 0.00 0.24 -0.02 -1.26 -4.05 135.00 132.95 1nin n PRO 77 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1nin n PRO 77 Cb 0.38 -0.20 0.00 0.00 -0.02 0.00 0.00 33.50 33.66 1nin n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nin n ALA 78 N -1.77 0.00 0.00 3.55 0.00 -1.26 -2.38 120.51 118.65 1nin n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nin n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -3.56 0.00 9.92 -1.26 -4.78 116.55 116.87 1nin n ASP 79 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.90 1nin n ASP 79 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 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 5.08 -1.31 2.24 0.00 -1.00 -5.05 120.51 120.46 1nin n ALA 80 Ca 0.00 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.71 1nin n ALA 80 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 0.53 0.63 -0.34 0.00 -0.04 -1.26 -4.68 135.00 129.84 1nin n PRO 81 Ca 0.33 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1nin n PRO 81 Cb 0.34 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.79 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 -3.00 -1.40 0.00 0.55 0.00 -0.45 -4.67 120.51 111.53 1nin n ALA 82 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1nin n ALA 82 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 0.45 2.03 3.55 0.00 0.00 0.02 -4.82 105.19 106.41 1nin n GLY 83 Ca 0.04 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 1nin n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nin s GLU 84 N -1.66 3.62 -0.07 1.61 8.01 -1.26 -0.04 118.70 128.91 1nin s GLU 84 Ca 0.00 -0.38 0.03 0.00 0.01 0.00 0.00 54.97 54.63 1nin s GLU 84 Cb 0.00 -3.79 -0.02 0.00 -4.31 0.00 0.00 34.13 26.01 1nin s GLU 84 CO 0.00 -0.49 -0.14 0.71 0.01 0.00 0.00 175.26 175.35 1nin s TYR 85 N 2.01 2.73 -0.08 1.61 1.51 0.42 -4.14 117.35 121.40 1nin s TYR 85 Ca 0.12 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 1nin s TYR 85 Cb -0.16 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1nin s TYR 85 CO 0.11 0.08 -0.13 0.99 -1.11 0.00 0.00 175.55 175.49 1nin s THR 86 N -0.43 3.10 -0.17 -0.71 2.01 -1.24 -0.83 115.64 117.36 1nin s THR 86 Ca 0.05 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1nin s THR 86 Cb -0.12 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.15 1nin s THR 86 CO 0.02 0.57 -0.16 0.72 -0.69 0.00 0.00 174.62 175.07 1nin s PHE 87 N -0.32 2.79 -0.07 4.92 -0.71 0.11 0.34 117.98 125.05 1nin s PHE 87 Ca 0.03 -1.30 0.02 0.00 -1.04 0.00 0.00 56.93 54.63 1nin s PHE 87 Cb -0.13 -1.93 -0.03 0.00 -1.21 0.00 0.00 43.02 39.73 1nin s PHE 87 CO 0.02 -0.64 -0.09 1.52 -1.34 0.00 0.00 175.22 174.69 1nin s TYR 88 N 1.11 2.86 -1.48 3.49 1.13 0.51 -0.34 117.35 124.64 1nin s TYR 88 Ca 0.00 -0.07 -0.09 0.00 -1.41 0.00 0.00 57.07 55.50 1nin s TYR 88 Cb -0.14 -1.70 0.02 0.00 -1.10 0.00 0.00 41.96 39.04 1nin s TYR 88 CO -0.06 0.25 2.58 0.00 -2.51 0.00 0.00 175.55 175.81 1nin n GLU 90 N 3.42 0.00 -0.11 0.00 4.07 -0.98 -0.06 120.64 126.98 1nin n GLU 90 Ca 0.66 0.00 0.27 0.00 -0.06 0.00 0.00 57.16 58.03 1nin n GLU 90 Cb 0.27 0.00 0.64 0.00 -0.06 0.00 0.00 31.44 32.29 1nin n GLU 90 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1nin h PRO 91 N 0.00 0.00 -0.04 5.31 0.13 -1.82 0.16 132.00 135.75 1nin h PRO 91 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nin h PRO 91 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1nin h PRO 91 CO 0.00 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.49 1nin n HIS 92 N -3.61 0.06 -1.63 1.56 8.25 0.92 -4.86 115.22 115.91 1nin n HIS 92 Ca 0.17 -0.57 -0.41 0.00 -0.26 0.00 0.00 57.72 56.65 1nin n HIS 92 Cb 1.09 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 32.13 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 -0.52 3.03 0.00 -0.41 0.00 0.58 -1.64 116.66 117.70 1nin n ARG 93 Ca 0.03 -2.50 0.00 0.00 -0.00 0.00 0.00 57.85 55.38 1nin n ARG 93 Cb 0.32 -3.18 0.00 0.00 0.00 0.00 0.00 32.46 29.61 1nin n ARG 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1nin n GLY 94 N 3.99 0.08 2.48 5.14 0.00 -1.26 -4.89 105.19 110.72 1nin n GLY 94 Ca 0.58 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.57 6.11 0.00 4.61 0.00 -0.65 -4.96 120.51 124.05 1nin n ALA 95 Ca 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.64 1nin n ALA 95 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.73 1.74 1.58 0.00 0.00 -1.26 -4.68 105.19 101.83 1nin n GLY 96 Ca 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.63 -4.04 1.61 2.81 -1.25 -4.89 117.12 110.74 1nin n MET 97 Ca 0.00 -0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.55 1nin n MET 97 Cb 0.00 0.01 -0.15 0.00 -0.71 0.00 0.00 33.22 32.36 1nin n MET 97 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1nin s VAL 98 N -1.89 2.52 0.25 2.03 -7.23 -1.26 -0.79 120.40 114.03 1nin s VAL 98 Ca 0.00 -0.83 0.11 0.00 -1.81 0.00 0.00 61.98 59.45 1nin s VAL 98 Cb 0.00 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 1nin s VAL 98 CO 0.00 0.46 -0.14 -0.83 -0.31 0.00 0.00 175.10 174.29 1nin s GLY 99 N 1.35 1.78 0.00 2.32 0.00 0.54 -4.91 107.32 108.40 1nin s GLY 99 Ca 0.05 -1.73 -0.02 0.00 0.00 0.00 0.00 44.72 43.02 1nin s GLY 99 CO -0.09 -1.79 0.03 -1.59 0.00 0.00 0.00 173.10 169.66 1nin s LYS 100 N -3.35 0.23 -0.13 2.90 0.00 0.19 0.10 119.74 119.68 1nin s LYS 100 Ca 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 55.97 55.95 1nin s LYS 100 Cb -0.06 0.09 -0.02 0.00 0.00 0.00 0.00 37.83 37.84 1nin s LYS 100 CO 0.16 -0.04 -0.10 -1.50 0.00 0.00 0.00 175.35 173.86 1nin s ILE 101 N -0.84 3.32 -0.39 3.79 2.07 -0.01 -0.76 121.20 128.38 1nin s ILE 101 Ca -0.09 -0.57 -0.04 0.00 -1.41 0.00 0.00 60.65 58.54 1nin s ILE 101 Cb -0.06 -2.41 0.09 0.00 0.13 0.00 0.00 42.46 40.22 1nin s ILE 101 CO -0.00 0.52 0.18 -0.89 -1.91 0.00 0.00 174.94 172.84 1nin s THR 102 N 0.27 3.42 0.06 4.00 2.01 0.98 -0.44 115.64 125.95 1nin s THR 102 Ca -0.07 -1.80 -0.20 0.00 0.31 0.00 0.00 61.69 59.93 1nin s THR 102 Cb -0.15 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 1nin s THR 102 CO 0.05 -0.54 0.60 -0.69 -0.69 0.00 0.00 174.62 173.34 1nin s VAL 103 N 1.22 4.74 -0.91 3.82 1.01 0.94 -0.45 120.40 130.76 1nin s VAL 103 Ca 0.05 1.29 -0.00 0.00 0.00 0.00 0.00 61.98 63.31 1nin s VAL 103 Cb -0.22 -3.94 0.29 0.00 0.00 0.00 0.00 36.38 32.51 1nin s VAL 103 CO -0.02 0.52 1.20 0.00 0.00 0.00 0.00 175.10 176.79 1nin n ALA 104 N 1.96 4.76 0.00 5.51 0.00 0.69 -0.80 120.51 132.63 1nin n ALA 104 Ca -0.09 -4.80 0.00 0.00 0.00 0.00 0.00 53.44 48.55 1nin n ALA 104 Cb 0.51 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91