#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 1.09 -3.70 3.84 5.66 -1.26 -4.66 114.28 115.26 1nin n THR 2 Ca 0.00 -0.27 -0.34 0.00 -3.05 0.00 0.00 64.05 60.38 1nin n THR 2 Cb 0.00 -0.95 -0.08 0.00 -1.55 0.00 0.00 70.33 67.75 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 -0.32 3.80 -0.01 1.09 2.02 -1.26 -4.83 117.35 117.84 1nin s TYR 3 Ca 0.70 -3.08 -0.06 0.00 -0.37 0.00 0.00 57.07 54.25 1nin s TYR 3 Cb -0.80 -3.13 -0.08 0.00 -0.40 0.00 0.00 41.96 37.55 1nin s TYR 3 CO 0.53 -0.70 0.75 2.41 -1.57 0.00 0.00 175.55 176.97 1nin n THR 4 N 2.32 0.00 -1.61 -0.71 -1.04 -1.26 -3.87 114.28 108.11 1nin n THR 4 Ca 0.20 -0.40 -0.39 0.00 -2.04 0.00 0.00 64.05 61.43 1nin n THR 4 Cb 0.37 -0.41 0.04 0.00 -1.82 0.00 0.00 70.33 68.50 1nin n THR 4 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1nin n VAL 5 N 4.28 3.24 -4.71 12.58 0.31 0.30 -4.75 118.33 129.57 1nin n VAL 5 Ca 0.10 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.66 1nin n VAL 5 Cb 0.29 -1.14 -0.17 0.00 -0.91 0.00 0.00 33.84 31.92 1nin n VAL 5 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1nin s LYS 6 N -2.51 2.10 -0.38 5.55 1.02 -0.50 -0.06 119.74 124.95 1nin s LYS 6 Ca 0.72 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 56.18 1nin s LYS 6 Cb -0.45 -1.69 0.11 0.00 -0.52 0.00 0.00 37.83 35.27 1nin s LYS 6 CO 0.50 0.05 0.12 -0.48 -0.92 0.00 0.00 175.35 174.62 1nin s LEU 7 N 0.65 4.89 0.00 3.17 2.34 -0.64 -0.84 118.68 128.25 1nin s LEU 7 Ca -0.14 -2.21 0.00 0.00 0.06 0.00 0.00 54.13 51.83 1nin s LEU 7 Cb -0.16 -1.70 0.00 0.00 -0.56 0.00 0.00 46.19 43.77 1nin s LEU 7 CO 0.04 -0.42 0.00 0.61 -1.06 0.00 0.00 176.35 175.53 1nin n GLY 8 N 4.23 0.74 2.78 -3.48 0.00 0.17 -3.58 105.19 106.06 1nin n GLY 8 Ca 0.02 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 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 5.72 0.00 1.61 2.88 -1.21 -4.56 113.62 118.06 1nin n SER 9 Ca 0.00 -3.12 0.00 0.00 -1.33 0.00 0.00 58.87 54.42 1nin n SER 9 Cb 0.00 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.01 1nin n SER 9 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1nin n ASP 10 N 3.39 0.00 -0.48 -3.46 8.00 -1.26 -4.42 116.55 118.32 1nin n ASP 10 Ca 0.44 0.00 0.07 0.00 0.71 0.00 0.00 54.79 56.01 1nin n ASP 10 Cb 0.34 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.63 1nin n ASP 10 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1nin n LYS 11 N 0.00 1.48 0.00 -1.24 5.02 -1.26 -4.95 118.16 117.22 1nin n LYS 11 Ca 0.00 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.19 1nin n LYS 11 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.17 1.30 3.41 0.72 0.00 -1.26 -5.11 105.19 103.07 1nin n GLY 12 Ca 0.18 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.43 -1.25 0.99 1.43 -1.26 -5.04 118.68 115.98 1nin s LEU 13 Ca 0.00 -0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 52.19 1nin s LEU 13 Cb 0.00 -1.14 0.17 0.00 0.03 0.00 0.00 46.19 45.25 1nin s LEU 13 CO 0.00 0.11 2.22 0.18 0.23 0.00 0.00 176.35 179.09 1nin n LEU 14 N 0.29 7.82 -4.90 1.79 4.77 -1.26 -3.32 117.00 122.19 1nin n LEU 14 Ca -0.13 -5.01 -0.28 0.00 -0.03 0.00 0.00 56.01 50.56 1nin n LEU 14 Cb 0.56 -1.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.32 1nin n LEU 14 CO 0.29 2.03 0.40 0.68 -1.33 0.00 0.00 177.39 179.46 1nin s VAL 15 N -1.93 4.90 -0.27 4.08 -7.23 -1.26 -3.69 120.40 115.00 1nin s VAL 15 Ca 0.50 0.25 -0.02 0.00 -1.81 0.00 0.00 61.98 60.89 1nin s VAL 15 Cb 0.18 -3.82 0.03 0.00 0.56 0.00 0.00 36.38 33.34 1nin s VAL 15 CO -0.10 -0.69 -0.03 0.12 -0.31 0.00 0.00 175.10 174.10 1nin s PHE 16 N -2.55 3.14 0.17 2.82 2.19 -1.24 -0.66 117.98 121.86 1nin s PHE 16 Ca 0.47 -1.61 0.07 0.00 0.33 0.00 0.00 56.93 56.20 1nin s PHE 16 Cb -0.10 -2.10 -0.04 0.00 -1.31 0.00 0.00 43.02 39.47 1nin s PHE 16 CO 0.39 -0.74 0.01 -2.00 1.83 0.00 0.00 175.22 174.71 1nin s GLU 17 N 1.32 2.46 0.00 10.12 -6.30 -0.02 -2.22 118.70 124.05 1nin s GLU 17 Ca -0.02 -1.06 0.00 0.00 -2.50 0.00 0.00 54.97 51.39 1nin s GLU 17 Cb -0.18 -2.40 0.00 0.00 0.00 0.00 0.00 34.13 31.56 1nin s GLU 17 CO -0.03 0.46 0.36 -0.35 0.02 0.00 0.00 175.26 175.73 1nin n PRO 18 N -0.08 0.58 0.00 4.30 -0.04 -1.26 -1.41 135.00 137.09 1nin n PRO 18 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1nin n PRO 18 Cb 0.55 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.33 0.00 -3.47 0.55 0.00 -0.94 -4.76 120.51 112.22 1nin n ALA 19 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1nin n ALA 19 Cb 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.51 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 2.43 -0.30 0.00 -2.85 -1.26 -0.50 119.74 117.26 1nin s LYS 20 Ca 0.00 -1.41 0.01 0.00 -1.00 0.00 0.00 55.97 53.57 1nin s LYS 20 Cb 0.00 -3.49 0.07 0.00 -2.06 0.00 0.00 37.83 32.34 1nin s LYS 20 CO 0.00 -0.81 -0.02 -1.17 0.10 0.00 0.00 175.35 173.45 1nin s LEU 21 N 1.31 3.95 -0.89 2.77 2.96 0.78 -5.02 118.68 124.54 1nin s LEU 21 Ca 0.01 -1.50 -0.17 0.00 -0.22 0.00 0.00 54.13 52.25 1nin s LEU 21 Cb -0.21 -1.65 0.17 0.00 0.50 0.00 0.00 46.19 45.00 1nin s LEU 21 CO 0.00 -0.27 0.98 -0.89 -1.32 0.00 0.00 176.35 174.85 1nin s THR 22 N 1.14 5.10 0.88 3.68 2.01 -1.26 -0.35 115.64 126.84 1nin s THR 22 Ca -0.03 -1.96 -0.14 0.00 0.31 0.00 0.00 61.69 59.87 1nin s THR 22 Cb -0.20 -4.65 0.15 0.00 0.01 0.00 0.00 72.50 67.81 1nin s THR 22 CO -0.04 -1.31 1.24 0.27 -0.69 0.00 0.00 174.62 174.10 1nin s ILE 23 N 1.62 2.02 -0.15 1.82 -0.00 -0.76 -4.82 121.20 120.92 1nin s ILE 23 Ca 0.27 -0.03 -0.15 0.00 -0.00 0.00 0.00 60.65 60.73 1nin s ILE 23 Cb -0.07 -2.98 -0.04 0.00 -0.00 0.00 0.00 42.46 39.36 1nin s ILE 23 CO -0.09 0.00 0.36 -0.54 -0.00 0.00 0.00 174.94 174.67 1nin s LYS 24 N -5.72 4.28 -0.04 0.37 3.01 -1.26 -3.59 119.74 116.79 1nin s LYS 24 Ca 0.69 0.22 -0.00 0.00 -1.01 0.00 0.00 55.97 55.86 1nin s LYS 24 Cb -0.07 -3.44 -0.01 0.00 -1.01 0.00 0.00 37.83 33.29 1nin s LYS 24 CO 0.51 0.18 0.39 -0.35 0.51 0.00 0.00 175.35 176.59 1nin n PRO 25 N 3.71 0.00 0.00 -1.68 -0.04 -1.26 -1.00 135.00 134.73 1nin n PRO 25 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1nin n PRO 25 Cb 0.52 -0.35 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 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 1.60 2.48 0.00 0.55 0.00 -1.26 -4.87 105.19 103.68 1nin n GLY 26 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1nin n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nin n ASP 27 N 0.00 0.00 -1.16 1.61 8.00 -0.17 -0.76 116.55 124.07 1nin n ASP 27 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1nin n ASP 27 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1nin n ASP 27 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1nin n THR 28 N 0.00 0.53 -1.42 -3.53 -1.04 -1.26 -3.78 114.28 103.78 1nin n THR 28 Ca 0.00 -0.05 -0.59 0.00 -2.04 0.00 0.00 64.05 61.37 1nin n THR 28 Cb 0.00 -0.82 -0.10 0.00 -1.82 0.00 0.00 70.33 67.58 1nin n THR 28 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1nin n VAL 29 N 0.98 0.07 -3.55 12.58 3.14 -1.26 -4.48 118.33 125.81 1nin n VAL 29 Ca 0.00 -0.05 -0.34 0.00 -2.96 0.00 0.00 64.34 60.99 1nin n VAL 29 Cb 0.22 -0.79 -0.05 0.00 -1.06 0.00 0.00 33.84 32.16 1nin n VAL 29 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1nin s GLU 30 N 5.29 3.77 -0.47 1.45 2.02 -1.25 -0.94 118.70 128.57 1nin s GLU 30 Ca 1.13 0.18 -0.04 0.00 0.02 0.00 0.00 54.97 56.27 1nin s GLU 30 Cb -1.34 -2.93 0.12 0.00 0.10 0.00 0.00 34.13 30.08 1nin s GLU 30 CO 0.66 0.51 0.29 -0.06 0.02 0.00 0.00 175.26 176.67 1nin s PHE 31 N -1.48 3.53 -0.19 1.61 0.40 0.24 0.11 117.98 122.19 1nin s PHE 31 Ca 0.36 -2.40 -0.29 0.00 -0.60 0.00 0.00 56.93 54.00 1nin s PHE 31 Cb -0.13 -3.27 -0.00 0.00 0.51 0.00 0.00 43.02 40.13 1nin s PHE 31 CO 0.19 -0.95 1.12 -0.51 0.70 0.00 0.00 175.22 175.78 1nin s LEU 32 N 0.89 4.14 0.29 -0.37 2.01 0.91 -4.12 118.68 122.43 1nin s LEU 32 Ca 0.10 1.51 -0.12 0.00 0.01 0.00 0.00 54.13 55.63 1nin s LEU 32 Cb -0.23 -3.54 -0.08 0.00 0.01 0.00 0.00 46.19 42.35 1nin s LEU 32 CO -0.04 -0.69 0.66 0.21 1.01 0.00 0.00 176.35 177.50 1nin s ASN 33 N 1.47 6.69 0.00 2.29 2.47 -1.26 -1.62 114.94 124.98 1nin s ASN 33 Ca 0.48 1.11 0.00 0.00 0.42 0.00 0.00 52.86 54.87 1nin s ASN 33 Cb -0.18 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1nin s ASN 33 CO 0.10 -0.16 0.00 -0.46 -3.72 0.00 0.00 177.10 172.86 1nin n ASN 34 N -0.34 1.41 -2.77 -4.21 6.94 -1.23 -0.63 115.26 114.42 1nin n ASN 34 Ca 0.02 -0.96 -0.28 0.00 -0.02 0.00 0.00 54.58 53.35 1nin n ASN 34 Cb 0.53 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.93 1nin n ASN 34 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1nin n LYS 35 N -0.28 3.38 -3.51 -3.83 -0.00 -1.26 -4.42 118.16 108.23 1nin n LYS 35 Ca 0.00 -4.68 -0.27 0.00 -0.00 0.00 0.00 58.31 53.36 1nin n LYS 35 Cb 0.00 -2.25 -0.10 0.00 -0.00 0.00 0.00 35.03 32.68 1nin n LYS 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1nin n VAL 36 N -0.35 0.07 -1.82 0.58 0.31 -1.26 -5.11 118.33 110.74 1nin n VAL 36 Ca 0.35 -4.12 -0.29 0.00 -0.01 0.00 0.00 64.34 60.26 1nin n VAL 36 Cb 0.49 -1.90 0.16 0.00 -0.91 0.00 0.00 33.84 31.68 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 -0.85 0.94 0.14 5.55 0.04 -1.26 -4.82 135.00 134.74 1nin s PRO 37 Ca 0.32 -0.17 -0.01 0.00 0.04 0.00 0.00 61.00 61.18 1nin s PRO 37 Cb 0.05 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1nin s PRO 37 CO -0.16 -2.25 0.31 -1.25 0.04 0.00 0.00 177.00 173.69 1nin s PRO 38 N -5.71 3.50 -0.58 0.56 0.04 -1.26 -4.99 135.00 126.56 1nin s PRO 38 Ca 0.69 -0.38 -0.00 0.00 0.04 0.00 0.00 61.00 61.35 1nin s PRO 38 Cb -0.07 -2.93 0.15 0.00 0.04 0.00 0.00 34.50 31.69 1nin s PRO 38 CO 0.52 0.50 0.37 -1.01 0.04 0.00 0.00 177.00 177.42 1nin s HIS 39 N -1.70 3.34 -0.44 0.56 3.76 -0.80 -4.71 115.29 115.31 1nin s HIS 39 Ca 0.37 -2.87 -0.08 0.00 -0.15 0.00 0.00 55.06 52.33 1nin s HIS 39 Cb -0.12 -3.07 0.11 0.00 1.11 0.00 0.00 32.58 30.61 1nin s HIS 39 CO 0.28 -0.81 0.29 1.21 -0.85 0.00 0.00 174.74 174.86 1nin s ASN 40 N 0.37 5.58 -0.28 1.40 3.84 -1.26 -4.01 114.94 120.58 1nin s ASN 40 Ca 0.17 -1.83 -0.19 0.00 0.21 0.00 0.00 52.86 51.21 1nin s ASN 40 Cb -0.22 -1.96 -0.02 0.00 -0.55 0.00 0.00 41.25 38.50 1nin s ASN 40 CO -0.02 -0.62 0.58 0.68 -2.79 0.00 0.00 177.10 174.92 1nin s VAL 41 N 1.33 5.01 0.21 -5.21 -7.23 -1.26 -3.39 120.40 109.85 1nin s VAL 41 Ca 0.05 0.92 -0.12 0.00 -1.81 0.00 0.00 61.98 61.02 1nin s VAL 41 Cb -0.25 -3.91 -0.07 0.00 0.56 0.00 0.00 36.38 32.71 1nin s VAL 41 CO -0.01 -0.01 0.57 -0.69 -0.31 0.00 0.00 175.10 174.65 1nin s VAL 42 N 2.45 4.87 0.21 1.32 1.01 0.84 -0.60 120.40 130.51 1nin s VAL 42 Ca 0.24 0.66 -0.00 0.00 0.00 0.00 0.00 61.98 62.87 1nin s VAL 42 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1nin s VAL 42 CO 0.10 0.04 0.40 -0.36 0.00 0.00 0.00 175.10 175.28 1nin s PHE 43 N -1.70 3.48 0.00 5.22 0.40 -1.21 -0.92 117.98 123.25 1nin s PHE 43 Ca 0.44 0.33 0.00 0.00 -0.60 0.00 0.00 56.93 57.11 1nin s PHE 43 Cb -0.13 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.56 1nin s PHE 43 CO 0.20 0.36 0.00 -0.40 0.70 0.00 0.00 175.22 176.08 1nin n ASP 44 N -0.76 0.00 -0.19 1.36 5.68 0.11 -4.54 116.55 118.21 1nin n ASP 44 Ca -0.05 0.00 0.20 0.00 -0.50 0.00 0.00 54.79 54.44 1nin n ASP 44 Cb 0.54 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.09 1nin n ASP 44 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nin h ALA 45 N 0.00 2.34 0.10 2.12 0.00 -1.86 -1.58 119.26 120.38 1nin h ALA 45 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1nin h ALA 45 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nin h ALA 45 CO 0.00 -0.59 -1.60 0.00 0.00 0.00 0.00 179.25 177.05 1nin h ALA 46 N 1.62 0.28 -1.13 0.00 0.00 -1.83 -3.43 119.26 114.77 1nin h ALA 46 Ca 0.42 -1.22 -0.60 0.00 0.00 0.00 0.00 54.91 53.51 1nin h ALA 46 Cb 1.19 0.61 -0.40 0.00 0.00 0.00 0.00 17.79 19.19 1nin h ALA 46 CO -0.11 0.98 -0.44 1.28 0.00 0.00 0.00 179.25 180.96 1nin n LEU 47 N -3.85 5.34 -4.71 0.00 7.99 -0.76 -5.06 117.00 115.94 1nin n LEU 47 Ca -0.29 -4.92 -0.29 0.00 -0.01 0.00 0.00 56.01 50.50 1nin n LEU 47 Cb 0.92 -0.52 -0.07 0.00 -0.11 0.00 0.00 43.42 43.63 1nin n LEU 47 CO 0.38 2.08 -0.31 0.54 -1.51 0.00 0.00 177.39 178.57 1nin s ASN 48 N -3.17 5.13 0.21 -1.43 2.20 -0.67 -4.58 114.94 112.63 1nin s ASN 48 Ca 0.51 -0.18 -0.14 0.00 -0.94 0.00 0.00 52.86 52.11 1nin s ASN 48 Cb 0.42 -1.24 0.23 0.00 -2.00 0.00 0.00 41.25 38.65 1nin s ASN 48 CO -0.11 0.14 1.64 1.55 -2.94 0.00 0.00 177.10 177.38 1nin h PRO 49 N 3.14 0.01 -1.59 3.55 0.13 -1.89 -0.21 132.00 135.14 1nin h PRO 49 Ca -0.47 -0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.95 1nin h PRO 49 Cb 1.18 -0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.99 1nin h PRO 49 CO 0.61 0.01 0.61 0.00 -0.23 0.00 0.00 178.00 179.00 1nin n ALA 50 N -2.99 6.15 -0.10 -0.56 0.00 -1.26 -4.95 120.51 116.80 1nin n ALA 50 Ca 0.07 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.54 1nin n ALA 50 Cb 0.32 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.64 -0.02 -3.06 0.00 3.00 -0.09 -4.87 118.16 112.48 1nin n LYS 51 Ca 0.53 -0.01 -0.17 0.00 -0.00 0.00 0.00 58.31 58.66 1nin n LYS 51 Cb 0.45 0.02 0.01 0.00 0.00 0.00 0.00 35.03 35.51 1nin n LYS 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1nin s SER 52 N -0.13 5.57 0.06 3.14 0.15 -1.26 -5.01 113.70 116.23 1nin s SER 52 Ca 0.00 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1nin s SER 52 Cb 0.00 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 1nin s SER 52 CO 0.00 -0.78 0.00 0.00 1.20 0.00 0.00 173.24 173.66 1nin n ALA 53 N -1.85 3.00 -0.20 5.45 0.00 -1.26 -4.34 120.51 121.31 1nin n ALA 53 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1nin n ALA 53 Cb 0.59 0.33 -0.06 0.00 0.00 0.00 0.00 19.45 20.31 1nin n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1nin h ASP 54 N 0.00 -1.66 0.59 0.00 2.03 -1.99 -0.11 116.42 115.28 1nin h ASP 54 Ca 0.00 0.25 -0.03 0.00 -0.73 0.00 0.00 57.03 56.52 1nin h ASP 54 Cb 0.44 0.73 0.01 0.00 -0.83 0.00 0.00 39.33 39.67 1nin h ASP 54 CO 0.00 -0.35 -0.28 0.25 -1.03 0.00 0.00 179.24 177.83 1nin h LEU 55 N -0.26 -0.67 -0.51 0.15 7.12 -1.97 0.25 115.31 119.43 1nin h LEU 55 Ca 0.15 0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.27 1nin h LEU 55 Cb 0.56 0.17 -0.09 0.00 -0.53 0.00 0.00 40.66 40.78 1nin h LEU 55 CO -0.68 -0.40 -0.17 0.00 -0.13 0.00 0.00 178.44 177.05 1nin n ALA 56 N -2.51 0.00 0.03 1.25 0.00 -0.89 -0.22 120.51 118.17 1nin n ALA 56 Ca -0.10 0.52 -0.22 0.00 0.00 0.00 0.00 53.44 53.64 1nin n ALA 56 Cb 0.31 -0.26 -0.14 0.00 0.00 0.00 0.00 19.45 19.35 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 0.32 -1.06 0.00 1.79 -1.03 -0.76 116.57 115.83 1nin h LYS 57 Ca 0.20 -0.55 0.28 0.00 -2.18 0.00 0.00 60.65 58.40 1nin h LYS 57 Cb 0.33 0.20 -0.08 0.00 -1.58 0.00 0.00 32.23 31.10 1nin h LYS 57 CO -0.51 1.26 0.70 1.03 -1.08 0.00 0.00 179.45 180.86 1nin h SER 58 N 0.09 0.32 0.00 0.86 0.87 0.16 -2.99 113.55 112.86 1nin h SER 58 Ca -0.39 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1nin h SER 58 Cb 2.06 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 64.03 1nin h SER 58 CO 0.13 0.06 0.00 -0.11 -0.53 0.00 0.00 176.83 176.38 1nin n LEU 59 N -4.51 0.02 0.00 2.23 7.94 0.69 -5.00 117.00 118.37 1nin n LEU 59 Ca 0.25 0.35 -0.22 0.00 -1.11 0.00 0.00 56.01 55.28 1nin n LEU 59 Cb 0.96 -0.49 0.21 0.00 0.53 0.00 0.00 43.42 44.62 1nin n LEU 59 CO 0.29 -0.49 0.25 -1.54 -1.11 0.00 0.00 177.39 174.78 1nin n SER 60 N -2.13 -3.52 -4.59 1.96 3.41 -0.29 -4.89 113.62 103.57 1nin n SER 60 Ca 0.00 -0.62 -0.42 0.00 -0.26 0.00 0.00 58.87 57.57 1nin n SER 60 Cb 0.00 -0.77 0.01 0.00 -0.26 0.00 0.00 64.21 63.19 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 -5.00 0.93 -0.02 7.33 8.25 0.23 -4.88 115.22 122.06 1nin n HIS 61 Ca 0.10 0.58 -0.02 0.00 -0.26 0.00 0.00 57.72 58.11 1nin n HIS 61 Cb 0.43 -2.19 -0.02 0.00 1.12 0.00 0.00 29.99 29.33 1nin n HIS 61 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1nin n LYS 62 N 0.23 1.14 -3.59 -0.41 5.02 -1.26 -4.70 118.16 114.59 1nin n LYS 62 Ca 0.10 0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.17 1nin n LYS 62 Cb 0.39 -1.07 0.01 0.00 -0.02 0.00 0.00 35.03 34.34 1nin n LYS 62 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1nin s GLN 63 N -2.07 2.29 -0.60 1.97 -0.21 -1.26 -5.07 119.66 114.70 1nin s GLN 63 Ca -0.04 -1.87 -0.25 0.00 0.02 0.00 0.00 55.36 53.22 1nin s GLN 63 Cb 0.01 -2.29 0.04 0.00 1.00 0.00 0.00 33.01 31.77 1nin s GLN 63 CO 0.10 -0.68 1.05 -0.51 -2.12 0.00 0.00 175.29 173.13 1nin s LEU 64 N -4.40 3.87 -0.78 2.90 2.01 -1.26 -4.64 118.68 116.38 1nin s LEU 64 Ca 0.44 -0.38 -0.25 0.00 0.01 0.00 0.00 54.13 53.95 1nin s LEU 64 Cb -0.03 -2.79 -0.06 0.00 0.01 0.00 0.00 46.19 43.31 1nin s LEU 64 CO 0.27 -1.41 2.05 -0.22 1.01 0.00 0.00 176.35 178.06 1nin s LEU 65 N 4.44 3.16 -0.40 1.79 1.98 -1.26 -4.75 118.68 123.65 1nin s LEU 65 Ca 0.32 -0.16 0.05 0.00 -2.89 0.00 0.00 54.13 51.46 1nin s LEU 65 Cb -0.12 -2.55 0.54 0.00 0.66 0.00 0.00 46.19 44.73 1nin s LEU 65 CO 0.18 -2.88 1.65 0.23 -1.89 0.00 0.00 176.35 173.65 1nin n MET 66 N 8.94 2.26 -4.26 1.98 2.81 -1.26 -1.90 117.12 125.69 1nin n MET 66 Ca 0.36 -3.26 -0.24 0.00 -1.81 0.00 0.00 57.70 52.75 1nin n MET 66 Cb 0.48 -2.04 -0.08 0.00 -0.71 0.00 0.00 33.22 30.87 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 -2.20 4.34 1.14 7.83 0.01 -1.26 -5.12 113.70 118.43 1nin s SER 67 Ca 0.52 -0.94 -0.16 0.00 1.31 0.00 0.00 55.95 56.69 1nin s SER 67 Cb 0.44 -0.59 0.26 0.00 0.21 0.00 0.00 66.02 66.34 1nin s SER 67 CO 0.03 -0.27 1.07 -2.16 0.41 0.00 0.00 173.24 172.32 1nin s PRO 68 N -3.76 -0.67 0.00 12.44 0.04 -1.26 -4.45 135.00 137.33 1nin s PRO 68 Ca 0.36 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1nin s PRO 68 Cb -0.00 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.91 1nin s PRO 68 CO 0.20 -3.43 0.00 0.41 0.04 0.00 0.00 177.00 174.22 1nin n GLY 69 N -0.51 0.00 3.47 0.56 0.00 0.19 -4.72 105.19 104.18 1nin n GLY 69 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 0.59 -1.69 1.61 1.13 -1.26 -4.57 117.38 113.19 1nin n GLN 70 Ca 0.00 -1.64 -0.17 0.00 -1.94 0.00 0.00 57.00 53.25 1nin n GLN 70 Cb 0.00 -3.25 -0.10 0.00 0.11 0.00 0.00 30.24 27.00 1nin n GLN 70 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1nin s SER 71 N 7.03 3.77 0.05 1.08 0.15 -1.26 -4.56 113.70 119.96 1nin s SER 71 Ca 0.71 -1.00 0.04 0.00 0.70 0.00 0.00 55.95 56.39 1nin s SER 71 Cb 0.06 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1nin s SER 71 CO 0.22 -4.37 -0.02 0.28 1.20 0.00 0.00 173.24 170.55 1nin s THR 72 N 15.71 3.93 0.36 6.45 -1.32 -1.26 -4.87 115.64 134.65 1nin s THR 72 Ca 0.80 -0.86 0.08 0.00 -1.21 0.00 0.00 61.69 60.51 1nin s THR 72 Cb -0.05 -2.80 -0.05 0.00 -1.51 0.00 0.00 72.50 68.08 1nin s THR 72 CO 0.16 0.25 0.09 -0.94 -2.21 0.00 0.00 174.62 171.97 1nin s SER 73 N -1.90 4.35 -0.53 8.08 1.04 -1.26 -0.59 113.70 122.89 1nin s SER 73 Ca 0.22 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 55.71 1nin s SER 73 Cb -0.11 -0.56 0.41 0.00 0.10 0.00 0.00 66.02 65.85 1nin s SER 73 CO 0.13 -0.34 1.40 0.41 0.98 0.00 0.00 173.24 175.83 1nin n THR 74 N -1.07 2.76 -1.33 2.02 -1.04 -0.11 -4.96 114.28 110.55 1nin n THR 74 Ca -0.03 -4.58 -0.12 0.00 -2.04 0.00 0.00 64.05 57.28 1nin n THR 74 Cb 0.63 -1.24 -0.08 0.00 -1.82 0.00 0.00 70.33 67.81 1nin n THR 74 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1nin n THR 75 N -0.55 0.00 -1.61 12.58 -1.04 -1.25 -4.73 114.28 117.68 1nin n THR 75 Ca 0.45 -0.15 -0.63 0.00 -2.04 0.00 0.00 64.05 61.68 1nin n THR 75 Cb 0.59 -1.39 -0.09 0.00 -1.82 0.00 0.00 70.33 67.62 1nin n THR 75 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1nin n PHE 76 N 14.60 1.48 -0.95 -1.42 3.72 0.06 -4.90 117.46 130.06 1nin n PHE 76 Ca 0.29 1.07 -0.30 0.00 -0.05 0.00 0.00 57.45 58.46 1nin n PHE 76 Cb 0.47 -2.08 0.24 0.00 -0.94 0.00 0.00 39.48 37.17 1nin n PHE 76 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1nin s PRO 77 N 2.36 -1.18 0.16 -1.08 0.04 -1.26 -4.30 135.00 129.75 1nin s PRO 77 Ca 0.97 0.13 0.11 0.00 0.04 0.00 0.00 61.00 62.25 1nin s PRO 77 Cb -1.38 -1.58 0.38 0.00 0.04 0.00 0.00 34.50 31.96 1nin s PRO 77 CO 0.73 -3.72 0.40 0.00 0.04 0.00 0.00 177.00 174.45 1nin n ALA 78 N -4.81 0.41 -0.00 8.56 0.00 -1.26 0.07 120.51 123.48 1nin n ALA 78 Ca 0.11 0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 1nin n ALA 78 Cb 0.59 -0.25 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 1nin n ALA 78 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nin n ASP 79 N -2.20 1.58 -3.11 0.00 5.68 -1.26 -5.01 116.55 112.23 1nin n ASP 79 Ca 0.10 0.31 0.00 0.00 -0.50 0.00 0.00 54.79 54.69 1nin n ASP 79 Cb 0.50 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1nin n ASP 79 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nin n ALA 80 N -2.80 -0.88 -0.52 2.12 0.00 0.11 -4.88 120.51 113.65 1nin n ALA 80 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 1nin n ALA 80 Cb 1.05 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.75 1nin n ALA 80 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nin s PRO 81 N -4.12 -0.78 0.49 0.00 0.04 -1.26 -4.73 135.00 124.63 1nin s PRO 81 Ca 0.00 0.96 0.08 0.00 0.04 0.00 0.00 61.00 62.08 1nin s PRO 81 Cb 0.00 -1.56 0.04 0.00 0.04 0.00 0.00 34.50 33.02 1nin s PRO 81 CO 0.00 -3.67 0.67 0.00 0.04 0.00 0.00 177.00 174.04 1nin s ALA 82 N -2.45 4.51 0.00 8.56 0.00 -1.26 -4.67 121.76 126.45 1nin s ALA 82 Ca 0.68 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1nin s ALA 82 Cb -0.25 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.25 1nin s ALA 82 CO 0.64 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1nin n GLY 83 N -2.04 3.45 2.64 0.00 0.00 -0.15 -4.62 105.19 104.47 1nin n GLY 83 Ca 0.11 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1nin n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nin n GLU 84 N -1.10 0.00 -1.60 1.61 -0.58 -1.24 -4.27 120.64 113.46 1nin n GLU 84 Ca 0.00 -0.14 -0.49 0.00 -0.42 0.00 0.00 57.16 56.10 1nin n GLU 84 Cb 0.00 -1.26 -0.05 0.00 -0.57 0.00 0.00 31.44 29.56 1nin n GLU 84 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1nin n TYR 85 N 3.11 1.53 -3.81 -0.32 4.02 0.10 -4.76 117.16 117.03 1nin n TYR 85 Ca 0.00 0.61 -0.27 0.00 -0.01 0.00 0.00 57.90 58.23 1nin n TYR 85 Cb 0.00 -2.34 -0.17 0.00 -0.02 0.00 0.00 39.34 36.82 1nin n TYR 85 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1nin s THR 86 N 0.15 0.78 -0.26 -0.72 2.01 -1.26 0.01 115.64 116.35 1nin s THR 86 Ca 0.77 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 1nin s THR 86 Cb -0.85 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1nin s THR 86 CO 0.49 0.01 0.04 0.72 -0.69 0.00 0.00 174.62 175.19 1nin s PHE 87 N 1.76 3.08 -0.05 4.92 -0.71 0.13 0.06 117.98 127.17 1nin s PHE 87 Ca 0.00 -0.78 0.04 0.00 -1.04 0.00 0.00 56.93 55.15 1nin s PHE 87 Cb -0.16 -2.21 -0.02 0.00 -1.21 0.00 0.00 43.02 39.42 1nin s PHE 87 CO -0.07 -0.50 -0.16 1.52 -1.34 0.00 0.00 175.22 174.68 1nin s TYR 88 N 1.53 2.66 -1.31 3.49 1.13 -0.09 -0.25 117.35 124.51 1nin s TYR 88 Ca 0.05 -0.20 -0.10 0.00 -1.41 0.00 0.00 57.07 55.40 1nin s TYR 88 Cb -0.16 -1.62 0.15 0.00 -1.10 0.00 0.00 41.96 39.23 1nin s TYR 88 CO 0.01 0.15 1.93 0.00 -2.51 0.00 0.00 175.55 175.13 1nin n GLU 90 N 4.29 0.00 -0.37 0.00 -0.58 -1.22 0.11 120.64 122.87 1nin n GLU 90 Ca 0.42 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 57.18 1nin n GLU 90 Cb 0.37 0.00 0.17 0.00 -0.57 0.00 0.00 31.44 31.41 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 1.15 -0.49 3.49 0.13 -1.88 -2.57 132.00 131.82 1nin h PRO 91 Ca 0.00 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.96 1nin h PRO 91 Cb 0.00 -0.26 -0.06 0.00 0.13 0.00 0.00 31.00 30.81 1nin h PRO 91 CO 0.00 0.76 0.09 0.72 -0.23 0.00 0.00 178.00 179.34 1nin n HIS 92 N -4.50 1.69 0.00 1.56 8.25 0.30 -4.95 115.22 117.56 1nin n HIS 92 Ca 0.15 -1.07 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 1nin n HIS 92 Cb 0.17 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.78 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 -0.30 0.00 -0.02 -0.41 3.00 -0.46 -2.02 116.66 116.45 1nin n ARG 93 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.16 1nin n ARG 93 Cb 1.14 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 33.55 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 -0.12 -0.33 2.41 5.14 0.00 -1.26 -4.14 105.19 106.88 1nin n GLY 94 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.99 7.14 0.00 4.61 0.00 -1.25 -4.51 120.51 124.51 1nin n ALA 95 Ca -0.06 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1nin n ALA 95 Cb 0.44 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.71 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 3.01 3.70 2.76 0.00 0.00 -1.26 -4.92 105.19 108.48 1nin n GLY 96 Ca 0.71 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 4.47 -3.98 1.61 2.81 -0.86 -3.62 117.12 117.55 1nin n MET 97 Ca 0.00 -4.72 -0.33 0.00 -1.81 0.00 0.00 57.70 50.84 1nin n MET 97 Cb 0.00 -2.39 -0.14 0.00 -0.71 0.00 0.00 33.22 29.98 1nin n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1nin s VAL 98 N -4.07 2.56 0.29 2.03 1.01 -1.26 -0.75 120.40 120.21 1nin s VAL 98 Ca 0.41 -1.67 0.12 0.00 0.00 0.00 0.00 61.98 60.84 1nin s VAL 98 Cb 0.20 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1nin s VAL 98 CO -0.10 -0.18 -0.18 -0.83 0.00 0.00 0.00 175.10 173.81 1nin s GLY 99 N 1.18 1.94 -0.02 4.51 0.00 0.65 -4.96 107.32 110.62 1nin s GLY 99 Ca -0.04 -1.91 0.03 0.00 0.00 0.00 0.00 44.72 42.79 1nin s GLY 99 CO -0.04 -1.98 -0.10 0.54 0.00 0.00 0.00 173.10 171.53 1nin s LYS 100 N -3.53 0.96 -0.11 2.90 1.02 0.35 0.22 119.74 121.55 1nin s LYS 100 Ca 0.30 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 55.98 1nin s LYS 100 Cb -0.04 -0.90 -0.01 0.00 -0.52 0.00 0.00 37.83 36.36 1nin s LYS 100 CO 0.15 0.14 -0.16 0.42 -0.92 0.00 0.00 175.35 174.98 1nin s ILE 101 N 0.09 2.78 -0.23 2.17 1.01 0.10 -0.16 121.20 126.96 1nin s ILE 101 Ca -0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 1nin s ILE 101 Cb -0.08 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1nin s ILE 101 CO 0.00 0.55 -0.05 -0.89 0.00 0.00 0.00 174.94 174.55 1nin s THR 102 N 0.13 3.17 -1.04 2.92 2.01 0.52 0.02 115.64 123.39 1nin s THR 102 Ca -0.08 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 1nin s THR 102 Cb -0.15 -2.50 0.06 0.00 0.01 0.00 0.00 72.50 69.92 1nin s THR 102 CO 0.05 0.34 2.61 0.52 -0.69 0.00 0.00 174.62 177.46 1nin n VAL 103 N 4.75 4.51 0.00 3.82 0.31 -1.26 -1.83 118.33 128.63 1nin n VAL 103 Ca -0.18 -3.65 0.00 0.00 -0.01 0.00 0.00 64.34 60.50 1nin n VAL 103 Cb 0.49 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1nin n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nin n ALA 104 N 1.68 0.00 -0.62 3.52 0.00 -1.24 -4.61 120.51 119.25 1nin n ALA 104 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1nin n ALA 104 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91