#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 -4.31 2.62 5.66 -1.26 -4.39 114.28 112.60 1nin n THR 2 Ca 0.00 -0.36 -0.32 0.00 -3.05 0.00 0.00 64.05 60.32 1nin n THR 2 Cb 0.00 -1.09 -0.09 0.00 -1.55 0.00 0.00 70.33 67.60 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 8.84 2.97 -0.38 1.09 2.02 -1.25 -4.87 117.35 125.77 1nin s TYR 3 Ca 0.78 0.00 -0.05 0.00 -0.37 0.00 0.00 57.07 57.44 1nin s TYR 3 Cb -0.24 -1.61 0.08 0.00 -0.40 0.00 0.00 41.96 39.79 1nin s TYR 3 CO 0.20 0.43 0.16 0.95 -1.57 0.00 0.00 175.55 175.72 1nin s THR 4 N -1.11 3.51 -0.09 -0.71 -4.23 -1.26 -0.03 115.64 111.72 1nin s THR 4 Ca 0.20 -1.63 -0.25 0.00 -1.18 0.00 0.00 61.69 58.84 1nin s THR 4 Cb -0.11 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.50 1nin s THR 4 CO 0.11 -0.45 0.76 0.54 -0.54 0.00 0.00 174.62 175.04 1nin s VAL 5 N 1.27 4.99 -1.05 2.29 0.11 0.30 -4.93 120.40 123.38 1nin s VAL 5 Ca 0.03 1.55 -0.03 0.00 -2.93 0.00 0.00 61.98 60.59 1nin s VAL 5 Cb -0.22 -4.09 0.31 0.00 -1.53 0.00 0.00 36.38 30.85 1nin s VAL 5 CO -0.01 0.18 1.44 0.29 -3.33 0.00 0.00 175.10 173.67 1nin n LYS 6 N 4.19 4.37 -1.73 1.54 5.02 -1.26 -0.47 118.16 129.82 1nin n LYS 6 Ca 0.01 -4.57 -0.34 0.00 -2.02 0.00 0.00 58.31 51.38 1nin n LYS 6 Cb 0.51 -2.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.08 1nin n LYS 6 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1nin s LEU 7 N -2.83 3.46 0.00 -0.35 0.05 -0.06 -4.23 118.68 114.72 1nin s LEU 7 Ca 0.32 2.25 0.00 0.00 0.05 0.00 0.00 54.13 56.75 1nin s LEU 7 Cb 0.06 -4.58 0.00 0.00 -2.05 0.00 0.00 46.19 39.62 1nin s LEU 7 CO 0.10 -1.83 0.00 0.61 -0.55 0.00 0.00 176.35 174.67 1nin n GLY 8 N 0.14 2.93 0.00 -3.48 0.00 -0.57 -1.27 105.19 102.94 1nin n GLY 8 Ca 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.26 0.00 0.01 1.61 2.88 -0.79 -3.66 113.62 113.93 1nin n SER 9 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1nin n SER 9 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.12 -1.32 -3.46 -0.08 -1.26 -4.46 116.55 106.09 1nin n ASP 10 Ca 0.00 0.05 -0.04 0.00 -1.51 0.00 0.00 54.79 53.29 1nin n ASP 10 Cb 0.00 -0.02 0.22 0.00 2.34 0.00 0.00 41.12 43.67 1nin n ASP 10 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1nin n LYS 11 N -2.68 2.35 0.00 -0.67 4.81 -1.26 -4.93 118.16 115.78 1nin n LYS 11 Ca 0.00 -3.07 0.00 0.00 -0.87 0.00 0.00 58.31 54.37 1nin n LYS 11 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1nin n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nin n GLY 12 N -0.88 0.98 3.62 3.14 0.00 -1.26 -5.17 105.19 105.61 1nin n GLY 12 Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 1nin n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nin s LEU 13 N 0.00 -0.64 -1.11 0.99 0.20 -1.26 -5.05 118.68 111.81 1nin s LEU 13 Ca 0.00 1.18 -0.07 0.00 0.69 0.00 0.00 54.13 55.92 1nin s LEU 13 Cb 0.00 2.29 -0.09 0.00 -0.43 0.00 0.00 46.19 47.96 1nin s LEU 13 CO 0.00 -0.26 2.63 0.18 -0.29 0.00 0.00 176.35 178.60 1nin n LEU 14 N 2.31 6.57 -4.54 -0.68 4.77 -1.24 -1.89 117.00 122.29 1nin n LEU 14 Ca -0.14 -3.52 -0.37 0.00 -0.03 0.00 0.00 56.01 51.95 1nin n LEU 14 Cb 0.56 -1.31 0.06 0.00 -2.33 0.00 0.00 43.42 40.39 1nin n LEU 14 CO 0.05 1.37 0.29 0.52 -1.33 0.00 0.00 177.39 178.30 1nin n VAL 15 N 3.69 2.79 -1.75 4.08 0.31 -1.26 -3.73 118.33 122.46 1nin n VAL 15 Ca 0.59 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1nin n VAL 15 Cb 0.26 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1nin n VAL 15 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1nin n PHE 16 N -1.98 0.00 -1.68 3.52 7.35 -1.26 -1.51 117.46 121.89 1nin n PHE 16 Ca 0.12 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.36 1nin n PHE 16 Cb 0.48 0.01 -0.04 0.00 0.35 0.00 0.00 39.48 40.28 1nin n PHE 16 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1nin n GLU 17 N 0.00 2.34 -2.76 -4.13 4.71 -1.26 -1.94 120.64 117.59 1nin n GLU 17 Ca 0.00 0.85 -0.43 0.00 -0.01 0.00 0.00 57.16 57.57 1nin n GLU 17 Cb 0.62 -2.66 -0.03 0.00 -1.01 0.00 0.00 31.44 28.36 1nin n GLU 17 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1nin s PRO 18 N 1.70 3.52 0.07 3.49 0.04 -1.26 -4.44 135.00 138.12 1nin s PRO 18 Ca 0.81 -1.34 0.02 0.00 0.04 0.00 0.00 61.00 60.53 1nin s PRO 18 Cb -0.63 -4.97 0.22 0.00 0.04 0.00 0.00 34.50 29.16 1nin s PRO 18 CO 0.39 -1.96 0.32 0.00 0.04 0.00 0.00 177.00 175.79 1nin n ALA 19 N 7.70 0.16 -3.32 8.56 0.00 -0.82 -1.59 120.51 131.20 1nin n ALA 19 Ca 0.23 0.22 -0.37 0.00 0.00 0.00 0.00 53.44 53.52 1nin n ALA 19 Cb 0.49 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -3.76 3.40 -2.83 0.00 4.81 -1.26 0.75 118.16 119.27 1nin n LYS 20 Ca 0.06 -4.56 -0.43 0.00 -0.87 0.00 0.00 58.31 52.51 1nin n LYS 20 Cb 0.21 -2.42 -0.03 0.00 0.02 0.00 0.00 35.03 32.81 1nin n LYS 20 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1nin s LEU 21 N -2.20 4.51 -1.26 3.14 1.98 -0.62 -4.89 118.68 119.33 1nin s LEU 21 Ca 0.32 -1.49 -0.14 0.00 -2.89 0.00 0.00 54.13 49.94 1nin s LEU 21 Cb 0.03 -2.44 0.14 0.00 0.66 0.00 0.00 46.19 44.58 1nin s LEU 21 CO -0.00 -1.30 1.65 0.41 -1.89 0.00 0.00 176.35 175.21 1nin n THR 22 N 5.89 4.15 -1.94 3.68 -1.04 -1.26 0.78 114.28 124.54 1nin n THR 22 Ca 0.14 -4.40 -0.21 0.00 -2.04 0.00 0.00 64.05 57.54 1nin n THR 22 Cb 0.48 -2.43 0.14 0.00 -1.82 0.00 0.00 70.33 66.69 1nin n THR 22 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1nin n ILE 23 N 4.76 0.00 -3.57 12.58 -5.35 -1.02 -4.69 119.36 122.06 1nin n ILE 23 Ca 0.41 -0.87 -0.21 0.00 -0.27 0.00 0.00 62.75 61.81 1nin n ILE 23 Cb 0.42 -1.45 -0.03 0.00 -1.74 0.00 0.00 39.64 36.84 1nin n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1nin s LYS 24 N -4.96 2.51 -1.25 6.28 -0.14 -1.26 -0.74 119.74 120.17 1nin s LYS 24 Ca 0.55 -1.57 -0.19 0.00 -1.36 0.00 0.00 55.97 53.40 1nin s LYS 24 Cb -0.02 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.77 1nin s LYS 24 CO 0.38 -0.24 1.90 -0.35 -0.76 0.00 0.00 175.35 176.27 1nin n PRO 25 N -1.58 2.60 0.00 -1.68 -0.04 -1.26 -3.67 135.00 129.36 1nin n PRO 25 Ca 0.04 -2.82 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1nin n PRO 25 Cb 0.62 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 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 5.14 1.53 3.85 0.55 0.00 -1.26 -4.21 105.19 110.79 1nin n GLY 26 Ca 0.49 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 1nin n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nin s ASP 27 N -2.00 6.07 0.00 1.61 -1.08 -1.22 -4.48 116.67 115.57 1nin s ASP 27 Ca 0.00 0.27 0.00 0.00 -0.52 0.00 0.00 52.55 52.30 1nin s ASP 27 Cb 0.00 -1.85 0.00 0.00 -1.46 0.00 0.00 42.92 39.61 1nin s ASP 27 CO 0.00 0.28 0.65 0.41 0.52 0.00 0.00 175.17 177.03 1nin n THR 28 N 1.17 0.00 -2.33 1.71 -1.04 -1.24 -4.11 114.28 108.44 1nin n THR 28 Ca -0.13 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.47 1nin n THR 28 Cb 0.53 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.67 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 3.54 3.45 -0.02 12.58 1.01 0.71 -3.86 120.40 137.80 1nin s VAL 29 Ca 0.00 1.22 0.06 0.00 0.00 0.00 0.00 61.98 63.25 1nin s VAL 29 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1nin s VAL 29 CO 0.00 0.20 -0.19 -0.70 0.00 0.00 0.00 175.10 174.41 1nin s GLU 30 N -0.27 2.29 -0.41 2.72 2.12 0.96 -0.64 118.70 125.47 1nin s GLU 30 Ca 0.54 -0.83 -0.04 0.00 0.36 0.00 0.00 54.97 55.00 1nin s GLU 30 Cb -0.34 -2.24 0.11 0.00 0.26 0.00 0.00 34.13 31.92 1nin s GLU 30 CO 0.38 0.59 0.22 -0.06 -0.54 0.00 0.00 175.26 175.84 1nin s PHE 31 N -0.74 3.55 -0.03 5.30 0.08 0.25 -0.54 117.98 125.86 1nin s PHE 31 Ca 0.12 -2.31 0.04 0.00 0.12 0.00 0.00 56.93 54.90 1nin s PHE 31 Cb -0.10 -3.22 -0.03 0.00 -0.57 0.00 0.00 43.02 39.10 1nin s PHE 31 CO 0.01 -0.97 -0.15 -0.48 -0.10 0.00 0.00 175.22 173.53 1nin s LEU 32 N 1.18 2.70 -1.38 -0.37 0.05 0.38 -0.75 118.68 120.49 1nin s LEU 32 Ca 0.07 -0.24 -0.16 0.00 0.05 0.00 0.00 54.13 53.85 1nin s LEU 32 Cb -0.23 -1.55 0.05 0.00 -2.05 0.00 0.00 46.19 42.41 1nin s LEU 32 CO -0.03 0.33 1.99 -0.46 -0.55 0.00 0.00 176.35 177.62 1nin n ASN 33 N 2.15 4.39 0.00 1.48 2.04 -0.51 -0.88 115.26 123.93 1nin n ASN 33 Ca -0.17 -2.88 0.00 0.00 -0.44 0.00 0.00 54.58 51.09 1nin n ASN 33 Cb 0.52 -1.70 0.00 0.00 -2.53 0.00 0.00 39.78 36.07 1nin n ASN 33 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1nin n ASN 34 N 7.27 0.00 0.00 0.53 2.85 -0.39 -0.60 115.26 124.91 1nin n ASN 34 Ca 0.50 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.97 1nin n ASN 34 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 1nin n ASN 34 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1nin n LYS 35 N 0.00 0.00 -3.64 1.20 2.85 -1.26 -3.20 118.16 114.11 1nin n LYS 35 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 1nin n LYS 35 Cb 0.00 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.21 1nin n LYS 35 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1nin s VAL 36 N 0.00 -0.11 0.49 0.58 -7.23 -1.23 -4.71 120.40 108.19 1nin s VAL 36 Ca 0.00 0.18 0.08 0.00 -1.81 0.00 0.00 61.98 60.43 1nin s VAL 36 Cb 0.00 -0.33 0.08 0.00 0.56 0.00 0.00 36.38 36.69 1nin s VAL 36 CO 0.00 -0.01 0.66 -0.81 -0.31 0.00 0.00 175.10 174.63 1nin n PRO 37 N 5.29 0.67 -4.03 4.82 -0.04 -1.26 -4.80 135.00 135.65 1nin n PRO 37 Ca -0.05 -2.63 -0.29 0.00 -0.04 0.00 0.00 63.50 60.49 1nin n PRO 37 Cb 0.50 -0.19 -0.06 0.00 -0.04 0.00 0.00 33.50 33.71 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 -4.20 2.98 -0.12 0.54 0.04 -1.26 -5.08 135.00 127.92 1nin s PRO 38 Ca 0.50 -0.69 0.03 0.00 0.04 0.00 0.00 61.00 60.89 1nin s PRO 38 Cb -0.04 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1nin s PRO 38 CO 0.32 0.55 -0.22 -1.01 0.04 0.00 0.00 177.00 176.68 1nin s HIS 39 N -1.49 2.62 -0.49 0.56 3.76 0.75 -4.88 115.29 116.12 1nin s HIS 39 Ca 0.31 -1.09 -0.01 0.00 -0.15 0.00 0.00 55.06 54.12 1nin s HIS 39 Cb -0.12 -1.76 0.13 0.00 1.11 0.00 0.00 32.58 31.94 1nin s HIS 39 CO 0.23 -0.45 0.28 1.21 -0.85 0.00 0.00 174.74 175.16 1nin s ASN 40 N 0.49 5.08 -0.29 1.40 2.47 -1.26 -2.31 114.94 120.51 1nin s ASN 40 Ca -0.14 -2.46 -0.12 0.00 0.42 0.00 0.00 52.86 50.56 1nin s ASN 40 Cb -0.17 -1.79 -0.04 0.00 -1.45 0.00 0.00 41.25 37.80 1nin s ASN 40 CO 0.05 -0.42 0.22 0.68 -3.72 0.00 0.00 177.10 173.91 1nin s VAL 41 N 0.51 5.29 0.03 -5.21 -7.23 -1.26 -0.45 120.40 112.09 1nin s VAL 41 Ca 0.13 0.11 0.04 0.00 -1.81 0.00 0.00 61.98 60.45 1nin s VAL 41 Cb -0.22 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.10 1nin s VAL 41 CO -0.04 0.18 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.18 1nin s VAL 42 N 1.78 3.69 -0.56 1.32 1.01 0.60 -2.41 120.40 125.83 1nin s VAL 42 Ca 0.08 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 1nin s VAL 42 Cb -0.16 -2.66 0.09 0.00 0.00 0.00 0.00 36.38 33.66 1nin s VAL 42 CO 0.11 0.30 0.65 -0.36 0.00 0.00 0.00 175.10 175.80 1nin s PHE 43 N -1.09 3.04 0.23 5.22 0.08 -1.26 -0.90 117.98 123.30 1nin s PHE 43 Ca 0.19 -0.90 0.00 0.00 0.12 0.00 0.00 56.93 56.35 1nin s PHE 43 Cb -0.11 -3.85 0.00 0.00 -0.57 0.00 0.00 43.02 38.49 1nin s PHE 43 CO 0.11 -1.19 0.00 -3.47 -0.10 0.00 0.00 175.22 170.57 1nin n ASP 44 N 6.14 -0.94 -0.07 1.36 2.03 -0.62 0.15 116.55 124.60 1nin n ASP 44 Ca -0.09 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.14 1nin n ASP 44 Cb 0.43 -0.23 -0.08 0.00 -0.72 0.00 0.00 41.12 40.51 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 -1.40 1.70 -0.07 -1.67 0.00 -1.26 -3.66 120.51 114.14 1nin n ALA 45 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 53.44 52.62 1nin n ALA 45 Cb 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.65 1.73 -1.35 0.00 0.00 -1.26 -3.03 120.51 113.96 1nin n ALA 46 Ca -0.22 -0.59 -0.24 0.00 0.00 0.00 0.00 53.44 52.38 1nin n ALA 46 Cb 0.84 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 20.39 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 -2.97 6.44 -3.52 0.00 4.32 -1.26 -4.40 117.00 115.61 1nin n LEU 47 Ca -0.25 -3.86 -0.24 0.00 -0.02 0.00 0.00 56.01 51.64 1nin n LEU 47 Cb 0.76 -1.35 -0.14 0.00 -1.62 0.00 0.00 43.42 41.06 1nin n LEU 47 CO 0.13 1.80 -0.27 0.54 -1.22 0.00 0.00 177.39 178.36 1nin s ASN 48 N 1.17 2.38 0.14 -1.43 4.22 -1.19 -0.38 114.94 119.85 1nin s ASN 48 Ca 0.63 -0.76 -0.30 0.00 -2.14 0.00 0.00 52.86 50.28 1nin s ASN 48 Cb 0.31 0.01 -0.08 0.00 1.28 0.00 0.00 41.25 42.77 1nin s ASN 48 CO -0.11 -0.38 1.51 1.55 -2.04 0.00 0.00 177.10 177.64 1nin h PRO 49 N 8.36 -0.17 -2.93 3.55 0.13 -1.65 0.12 132.00 139.41 1nin h PRO 49 Ca -0.17 0.01 -0.74 0.00 -0.87 0.00 0.00 66.00 64.24 1nin h PRO 49 Cb 1.09 0.04 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 1nin h PRO 49 CO 0.35 -0.12 2.51 0.00 -0.23 0.00 0.00 178.00 180.51 1nin n ALA 50 N -3.15 6.50 -2.84 -0.56 0.00 -1.26 -4.74 120.51 114.46 1nin n ALA 50 Ca -0.01 -4.07 -0.08 0.00 0.00 0.00 0.00 53.44 49.28 1nin n ALA 50 Cb 0.28 -2.92 -0.02 0.00 0.00 0.00 0.00 19.45 16.79 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 2.61 -0.98 -1.57 0.00 5.02 -0.41 -4.73 118.16 118.10 1nin n LYS 51 Ca 0.58 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 56.49 1nin n LYS 51 Cb 0.28 -0.87 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 1nin n LYS 51 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1nin n SER 52 N -0.38 7.33 -4.36 4.39 7.64 0.27 -4.93 113.62 123.58 1nin n SER 52 Ca -0.06 -2.75 -0.38 0.00 1.01 0.00 0.00 58.87 56.69 1nin n SER 52 Cb 0.16 -1.55 0.04 0.00 -1.01 0.00 0.00 64.21 61.84 1nin n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nin n ALA 53 N 3.89 -2.17 0.00 -0.43 0.00 -1.17 -3.58 120.51 117.05 1nin n ALA 53 Ca 0.68 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1nin n ALA 53 Cb 0.28 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1nin n ALA 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nin n ASP 54 N 1.18 0.00 -0.17 0.00 -0.08 -1.26 -4.50 116.55 111.71 1nin n ASP 54 Ca 0.09 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.33 1nin n ASP 54 Cb 0.49 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.90 1nin n ASP 54 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1nin n LEU 55 N 0.00 -0.44 0.04 -2.67 -0.00 -1.23 0.63 117.00 113.33 1nin n LEU 55 Ca 0.00 0.80 -0.13 0.00 -0.00 0.00 0.00 56.01 56.69 1nin n LEU 55 Cb 0.00 -0.13 -0.08 0.00 -0.00 0.00 0.00 43.42 43.21 1nin n LEU 55 CO 0.00 -0.63 0.51 0.00 -0.00 0.00 0.00 177.39 177.27 1nin h ALA 56 N 0.14 -0.86 -0.61 1.96 0.00 -1.78 0.24 119.26 118.35 1nin h ALA 56 Ca 0.07 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1nin h ALA 56 Cb 0.17 0.86 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1nin h ALA 56 CO -0.39 -0.99 0.41 -0.22 0.00 0.00 0.00 179.25 178.07 1nin h LYS 57 N -0.53 0.25 -0.14 0.00 3.11 0.70 0.27 116.57 120.23 1nin h LYS 57 Ca 0.01 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 1nin h LYS 57 Cb 0.57 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1nin h LYS 57 CO -0.28 0.16 -0.09 0.77 -2.81 0.00 0.00 179.45 177.20 1nin h SER 58 N 0.25 0.32 -0.36 4.20 0.02 0.18 -3.30 113.55 114.88 1nin h SER 58 Ca 0.29 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1nin h SER 58 Cb 0.79 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1nin h SER 58 CO -0.06 0.69 0.15 0.25 -1.14 0.00 0.00 176.83 176.72 1nin h LEU 59 N -0.04 0.48 0.00 5.07 5.85 0.18 -3.45 115.31 123.40 1nin h LEU 59 Ca 0.03 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 1nin h LEU 59 Cb 0.58 -0.12 0.05 0.00 0.37 0.00 0.00 40.66 41.53 1nin h LEU 59 CO 0.02 0.50 0.07 -0.24 -0.34 0.00 0.00 178.44 178.45 1nin n SER 60 N -4.70 -0.63 -3.09 1.25 2.88 0.72 -5.02 113.62 105.02 1nin n SER 60 Ca -0.01 -0.89 -0.10 0.00 -1.33 0.00 0.00 58.87 56.55 1nin n SER 60 Cb 0.13 -0.25 0.05 0.00 -0.75 0.00 0.00 64.21 63.39 1nin n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nin n HIS 61 N -2.77 -3.16 -3.42 0.66 1.44 -1.01 -4.89 115.22 102.07 1nin n HIS 61 Ca 0.04 -0.76 0.00 0.00 -2.01 0.00 0.00 57.72 54.99 1nin n HIS 61 Cb 0.14 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 29.95 1nin n HIS 61 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1nin n LYS 62 N -1.77 3.03 -1.95 -1.40 4.01 -1.26 -4.17 118.16 114.66 1nin n LYS 62 Ca 0.07 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.53 1nin n LYS 62 Cb 0.25 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.72 1nin n LYS 62 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1nin n GLN 63 N -0.02 1.90 0.00 1.97 -0.06 -1.26 -4.14 117.38 115.77 1nin n GLN 63 Ca 0.00 -2.48 0.00 0.00 -2.00 0.00 0.00 57.00 52.52 1nin n GLN 63 Cb 0.00 -3.51 0.00 0.00 -4.06 0.00 0.00 30.24 22.67 1nin n GLN 63 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1nin n LEU 64 N 11.62 0.00 -4.58 1.69 -0.00 -1.22 -4.88 117.00 119.62 1nin n LEU 64 Ca 0.47 -0.03 -0.37 0.00 -0.00 0.00 0.00 56.01 56.08 1nin n LEU 64 Cb 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.84 1nin n LEU 64 CO 0.78 0.00 1.78 -0.76 -0.00 0.00 0.00 177.39 179.19 1nin s LEU 65 N -2.82 3.51 -0.06 1.47 1.02 -0.98 -4.52 118.68 116.30 1nin s LEU 65 Ca 0.00 -2.11 0.10 0.00 0.02 0.00 0.00 54.13 52.14 1nin s LEU 65 Cb 0.00 -2.58 -0.15 0.00 0.02 0.00 0.00 46.19 43.48 1nin s LEU 65 CO 0.00 -1.97 0.13 0.23 0.02 0.00 0.00 176.35 174.77 1nin n MET 66 N 8.36 1.38 -4.64 1.70 2.81 -1.26 -0.18 117.12 125.28 1nin n MET 66 Ca 0.47 -0.05 -0.34 0.00 -1.81 0.00 0.00 57.70 55.97 1nin n MET 66 Cb 0.46 -1.27 -0.12 0.00 -0.71 0.00 0.00 33.22 31.58 1nin n MET 66 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1nin s SER 67 N -3.83 4.48 0.07 7.83 0.15 -1.26 -4.60 113.70 116.55 1nin s SER 67 Ca -0.05 -0.12 -0.37 0.00 0.70 0.00 0.00 55.95 56.11 1nin s SER 67 Cb 0.05 -1.32 -0.17 0.00 -1.71 0.00 0.00 66.02 62.87 1nin s SER 67 CO 0.45 0.29 1.30 -0.81 1.20 0.00 0.00 173.24 175.67 1nin n PRO 68 N 2.70 0.96 0.00 5.44 -0.04 -1.26 -2.54 135.00 140.26 1nin n PRO 68 Ca -0.18 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1nin n PRO 68 Cb 0.53 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1nin n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nin n GLY 69 N 2.36 2.45 0.98 0.55 0.00 0.23 -4.83 105.19 106.91 1nin n GLY 69 Ca 0.19 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.39 1.61 1.13 -1.05 -3.55 117.38 111.13 1nin n GLN 70 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 1nin n GLN 70 Cb 0.00 -0.41 -0.09 0.00 0.11 0.00 0.00 30.24 29.84 1nin n GLN 70 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1nin s SER 71 N 0.18 3.95 -0.55 1.08 1.04 -1.26 -1.42 113.70 116.72 1nin s SER 71 Ca 0.26 -0.83 -0.00 0.00 0.48 0.00 0.00 55.95 55.86 1nin s SER 71 Cb -0.36 -0.52 0.14 0.00 0.10 0.00 0.00 66.02 65.38 1nin s SER 71 CO 0.17 0.05 0.34 -0.89 0.98 0.00 0.00 173.24 173.88 1nin s THR 72 N -2.24 3.22 -0.38 2.02 2.01 0.07 -4.95 115.64 115.39 1nin s THR 72 Ca 0.29 -2.96 -0.18 0.00 0.31 0.00 0.00 61.69 59.14 1nin s THR 72 Cb -0.06 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1nin s THR 72 CO 0.16 -0.82 0.53 -0.94 -0.69 0.00 0.00 174.62 172.86 1nin s SER 73 N 0.48 6.30 -0.06 3.53 1.04 -1.26 -0.58 113.70 123.15 1nin s SER 73 Ca 0.16 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.47 1nin s SER 73 Cb -0.22 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 1nin s SER 73 CO -0.03 -0.55 -0.23 0.28 0.98 0.00 0.00 173.24 173.70 1nin s THR 74 N 2.44 2.28 -0.27 2.02 -1.32 0.19 -4.95 115.64 116.02 1nin s THR 74 Ca 0.19 -0.98 0.09 0.00 -1.21 0.00 0.00 61.69 59.78 1nin s THR 74 Cb -0.15 -1.85 0.49 0.00 -1.51 0.00 0.00 72.50 69.48 1nin s THR 74 CO 0.14 0.57 1.42 1.07 -2.21 0.00 0.00 174.62 175.61 1nin n THR 75 N 2.94 2.49 -0.03 5.08 5.66 -1.26 -0.21 114.28 128.95 1nin n THR 75 Ca -0.17 -2.81 0.00 0.00 -3.05 0.00 0.00 64.05 58.02 1nin n THR 75 Cb 0.52 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 1nin n THR 75 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1nin n PHE 76 N -1.11 0.00 -1.53 1.09 3.01 -1.26 -3.44 117.46 114.22 1nin n PHE 76 Ca 0.30 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.35 1nin n PHE 76 Cb 0.97 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 40.38 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 -0.04 1.11 0.00 -1.08 -0.04 -1.26 -4.15 135.00 129.54 1nin n PRO 77 Ca 0.00 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1nin n PRO 77 Cb 0.00 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 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 13.17 0.00 -0.33 0.55 0.00 -1.26 -0.67 120.51 131.97 1nin n ALA 78 Ca 0.40 0.00 0.19 0.00 0.00 0.00 0.00 53.44 54.03 1nin n ALA 78 Cb 0.40 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.24 1nin n ALA 78 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nin h ASP 79 N 0.00 0.43 0.00 0.00 5.19 -1.86 -3.42 116.42 116.76 1nin h ASP 79 Ca 0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1nin h ASP 79 Cb 0.00 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1nin h ASP 79 CO 0.00 -0.06 0.00 0.00 -3.12 0.00 0.00 179.24 176.06 1nin n ALA 80 N -2.40 0.00 -2.02 3.45 0.00 0.16 -4.97 120.51 114.72 1nin n ALA 80 Ca 0.27 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.50 1nin n ALA 80 Cb 0.82 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.35 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 0.00 2.08 0.00 0.00 0.04 -1.26 -4.56 135.00 131.29 1nin s PRO 81 Ca 0.00 -1.39 0.00 0.00 0.04 0.00 0.00 61.00 59.65 1nin s PRO 81 Cb 0.00 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1nin s PRO 81 CO 0.00 -1.07 0.00 0.00 0.04 0.00 0.00 177.00 175.97 1nin n ALA 82 N -2.47 -0.16 0.00 8.56 0.00 0.05 -4.67 120.51 121.82 1nin n ALA 82 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1nin n ALA 82 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.15 0.24 3.35 0.00 0.00 0.11 -4.61 105.19 104.13 1nin n GLY 83 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1nin n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nin n GLU 84 N 1.55 3.13 -3.49 1.61 4.07 -1.26 -3.44 120.64 122.81 1nin n GLU 84 Ca 0.00 -3.15 -0.43 0.00 -0.06 0.00 0.00 57.16 53.52 1nin n GLU 84 Cb 0.00 -3.41 -0.05 0.00 -0.06 0.00 0.00 31.44 27.92 1nin n GLU 84 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1nin s TYR 85 N 3.73 3.58 -0.47 4.31 2.02 -1.26 -1.97 117.35 127.28 1nin s TYR 85 Ca 0.51 -2.23 -0.27 0.00 -0.37 0.00 0.00 57.07 54.71 1nin s TYR 85 Cb 0.06 -3.56 -0.02 0.00 -0.40 0.00 0.00 41.96 38.04 1nin s TYR 85 CO 0.03 -0.94 1.88 0.99 -1.57 0.00 0.00 175.55 175.95 1nin s THR 86 N 0.23 3.38 -0.58 -0.71 2.01 0.49 -3.82 115.64 116.63 1nin s THR 86 Ca 0.16 0.31 -0.17 0.00 0.31 0.00 0.00 61.69 62.30 1nin s THR 86 Cb -0.16 -3.72 0.13 0.00 0.01 0.00 0.00 72.50 68.76 1nin s THR 86 CO -0.06 -0.60 0.59 0.12 -0.69 0.00 0.00 174.62 173.99 1nin s PHE 87 N 8.39 3.20 0.04 4.92 5.36 -1.25 -1.60 117.98 137.06 1nin s PHE 87 Ca 0.76 -1.23 0.06 0.00 -0.96 0.00 0.00 56.93 55.56 1nin s PHE 87 Cb -0.17 -3.88 -0.03 0.00 -0.34 0.00 0.00 43.02 38.59 1nin s PHE 87 CO 0.27 -1.12 -0.15 1.52 -1.46 0.00 0.00 175.22 174.29 1nin s TYR 88 N 1.87 2.65 -1.47 10.12 -0.85 -0.08 0.06 117.35 129.65 1nin s TYR 88 Ca 0.07 -0.20 -0.13 0.00 -0.52 0.00 0.00 57.07 56.29 1nin s TYR 88 Cb -0.26 -1.49 0.03 0.00 0.38 0.00 0.00 41.96 40.62 1nin s TYR 88 CO 0.03 0.30 2.30 0.00 -1.52 0.00 0.00 175.55 176.66 1nin n GLU 90 N 5.71 0.00 0.33 0.00 4.07 0.41 0.33 120.64 131.49 1nin n GLU 90 Ca 0.55 0.00 0.22 0.00 -0.06 0.00 0.00 57.16 57.86 1nin n GLU 90 Cb 0.37 0.00 1.16 0.00 -0.06 0.00 0.00 31.44 32.91 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 -0.76 5.31 0.13 -1.90 -2.50 132.00 132.28 1nin h PRO 91 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1nin h PRO 91 Cb 0.00 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 30.71 1nin h PRO 91 CO 0.00 0.00 -0.76 0.72 -0.23 0.00 0.00 178.00 177.73 1nin n HIS 92 N -3.16 2.76 -2.48 1.56 8.25 0.15 -5.09 115.22 117.22 1nin n HIS 92 Ca -0.03 -2.25 -0.34 0.00 -0.26 0.00 0.00 57.72 54.85 1nin n HIS 92 Cb 0.10 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 30.80 1nin n HIS 92 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nin s ARG 93 N -3.61 3.73 0.00 -0.41 0.52 -0.95 -3.11 118.95 115.13 1nin s ARG 93 Ca 0.51 1.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.07 1nin s ARG 93 Cb 0.41 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.80 1nin s ARG 93 CO 0.04 -0.49 0.00 0.41 0.02 0.00 0.00 175.30 175.28 1nin n GLY 94 N -0.33 0.71 2.25 -3.53 0.00 -1.26 -4.70 105.19 98.32 1nin n GLY 94 Ca 0.09 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 6.38 0.00 4.61 0.00 -1.26 -4.67 120.51 125.56 1nin n ALA 95 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 50.96 1nin n ALA 95 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 16.59 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 3.17 3.38 2.63 0.00 0.00 -1.26 -4.90 105.19 108.20 1nin n GLY 96 Ca 0.56 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 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 3.64 -4.08 1.61 2.00 -1.18 -4.26 117.12 114.85 1nin n MET 97 Ca 0.00 -2.97 -0.33 0.00 0.00 0.00 0.00 57.70 54.39 1nin n MET 97 Cb 0.00 -2.94 -0.15 0.00 0.00 0.00 0.00 33.22 30.13 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 1.21 2.28 -0.76 2.03 1.01 -1.26 -0.71 120.40 124.19 1nin s VAL 98 Ca 0.51 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1nin s VAL 98 Cb 0.15 -2.05 0.22 0.00 0.00 0.00 0.00 36.38 34.70 1nin s VAL 98 CO -0.06 0.40 0.75 0.61 0.00 0.00 0.00 175.10 176.81 1nin n GLY 99 N 4.61 4.45 3.24 4.51 0.00 0.11 -4.31 105.19 117.81 1nin n GLY 99 Ca -0.19 -2.67 -0.32 0.00 0.00 0.00 0.00 46.02 42.83 1nin n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nin n LYS 100 N 1.56 0.42 -1.41 1.61 4.76 0.23 -3.74 118.16 121.59 1nin n LYS 100 Ca 0.25 -1.07 -0.11 0.00 -2.87 0.00 0.00 58.31 54.51 1nin n LYS 100 Cb 0.37 -2.45 -0.09 0.00 -1.84 0.00 0.00 35.03 31.02 1nin n LYS 100 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1nin n ILE 101 N 6.14 0.00 -2.80 -0.18 2.08 -1.25 -3.20 119.36 120.16 1nin n ILE 101 Ca 0.36 -0.29 -0.43 0.00 0.56 0.00 0.00 62.75 62.95 1nin n ILE 101 Cb 0.30 -1.23 -0.01 0.00 -0.75 0.00 0.00 39.64 37.95 1nin n ILE 101 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1nin s THR 102 N 10.31 4.59 -0.30 1.39 -4.23 0.23 -4.22 115.64 123.42 1nin s THR 102 Ca 0.68 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.91 1nin s THR 102 Cb -0.15 -4.98 -0.02 0.00 1.34 0.00 0.00 72.50 68.69 1nin s THR 102 CO 0.16 -1.75 1.87 -0.69 -0.54 0.00 0.00 174.62 173.67 1nin s VAL 103 N 2.93 3.40 0.00 2.29 1.01 -1.23 -2.44 120.40 126.36 1nin s VAL 103 Ca 0.44 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1nin s VAL 103 Cb -0.01 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1nin s VAL 103 CO -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 175.10 174.76 1nin n ALA 104 N 10.42 0.00 -1.28 5.51 0.00 0.08 0.05 120.51 135.29 1nin n ALA 104 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1nin n ALA 104 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91