#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 0.95 -2.30 2.62 -2.24 -1.26 -2.85 114.28 109.21 1nin n THR 2 Ca 0.00 -0.74 -0.26 0.00 -2.27 0.00 0.00 64.05 60.79 1nin n THR 2 Cb 0.00 -2.04 0.10 0.00 -2.10 0.00 0.00 70.33 66.29 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 5.48 2.21 -0.18 4.78 2.02 -1.26 -4.72 117.35 125.69 1nin s TYR 3 Ca 0.49 0.15 -0.01 0.00 -0.37 0.00 0.00 57.07 57.33 1nin s TYR 3 Cb 0.12 -3.29 -0.00 0.00 -0.40 0.00 0.00 41.96 38.38 1nin s TYR 3 CO 0.16 -1.72 -0.12 -0.08 -1.57 0.00 0.00 175.55 172.21 1nin s THR 4 N -3.31 2.84 -0.25 -0.71 -1.32 -1.26 -0.61 115.64 111.02 1nin s THR 4 Ca 0.65 -0.70 0.11 0.00 -1.21 0.00 0.00 61.69 60.54 1nin s THR 4 Cb -0.08 -2.23 0.47 0.00 -1.51 0.00 0.00 72.50 69.16 1nin s THR 4 CO 0.46 0.49 1.38 0.52 -2.21 0.00 0.00 174.62 175.26 1nin n VAL 5 N 4.31 2.39 -0.56 5.08 0.31 -0.25 -4.33 118.33 125.28 1nin n VAL 5 Ca -0.19 -2.77 -0.19 0.00 -0.01 0.00 0.00 64.34 61.19 1nin n VAL 5 Cb 0.51 -0.29 0.01 0.00 -0.91 0.00 0.00 33.84 33.17 1nin n VAL 5 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1nin n LYS 6 N -1.09 0.00 -3.91 5.55 2.85 -1.14 -3.25 118.16 117.16 1nin n LYS 6 Ca 0.27 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.18 1nin n LYS 6 Cb 0.91 -0.49 -0.12 0.00 -0.65 0.00 0.00 35.03 34.67 1nin n LYS 6 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1nin s LEU 7 N 3.11 3.43 0.00 -5.58 -0.00 -0.81 -0.81 118.68 118.02 1nin s LEU 7 Ca 0.24 -0.16 0.00 0.00 -0.00 0.00 0.00 54.13 54.21 1nin s LEU 7 Cb -0.18 -1.89 0.00 0.00 -0.00 0.00 0.00 46.19 44.12 1nin s LEU 7 CO 0.36 0.03 0.00 0.61 -0.00 0.00 0.00 176.35 177.35 1nin n GLY 8 N 4.47 0.60 1.50 -3.48 0.00 0.11 -3.71 105.19 104.69 1nin n GLY 8 Ca -0.17 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 1nin n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nin n SER 9 N -1.36 4.30 0.00 1.61 2.88 -1.26 -4.29 113.62 115.50 1nin n SER 9 Ca 0.00 -2.59 0.00 0.00 -1.33 0.00 0.00 58.87 54.95 1nin n SER 9 Cb 0.50 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1nin n SER 9 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nin n ASP 10 N 0.34 0.00 -0.05 -3.46 5.75 -1.26 -5.05 116.55 112.82 1nin n ASP 10 Ca 0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.81 1nin n ASP 10 Cb 0.72 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.67 1nin n ASP 10 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1nin n LYS 11 N 0.00 0.68 0.00 0.11 3.00 -1.26 -4.92 118.16 115.77 1nin n LYS 11 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1nin n LYS 11 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.36 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 1.83 0.00 3.89 3.14 0.00 -1.26 -4.88 105.19 107.90 1nin n GLY 12 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 4.38 0.00 0.99 0.20 -1.26 -4.78 118.68 118.20 1nin s LEU 13 Ca 0.00 0.46 -0.04 0.00 0.69 0.00 0.00 54.13 55.24 1nin s LEU 13 Cb 0.00 -2.50 -0.19 0.00 -0.43 0.00 0.00 46.19 43.06 1nin s LEU 13 CO 0.00 0.30 3.02 0.18 -0.29 0.00 0.00 176.35 179.56 1nin n LEU 14 N 1.26 4.80 -4.56 -0.68 4.77 -1.26 -3.27 117.00 118.06 1nin n LEU 14 Ca -0.13 -2.78 -0.28 0.00 -0.03 0.00 0.00 56.01 52.79 1nin n LEU 14 Cb 0.53 -1.24 -0.10 0.00 -2.33 0.00 0.00 43.42 40.29 1nin n LEU 14 CO 0.40 1.38 -0.42 0.54 -1.33 0.00 0.00 177.39 177.96 1nin s VAL 15 N 0.96 3.19 -0.30 4.08 0.11 -1.26 -4.17 120.40 123.00 1nin s VAL 15 Ca 0.48 -1.57 -0.15 0.00 -2.93 0.00 0.00 61.98 57.81 1nin s VAL 15 Cb 0.23 -2.55 -0.03 0.00 -1.53 0.00 0.00 36.38 32.50 1nin s VAL 15 CO 0.00 -0.05 0.37 -0.36 -3.33 0.00 0.00 175.10 171.73 1nin s PHE 16 N -1.56 3.22 -0.17 1.54 0.08 -1.26 -0.71 117.98 119.12 1nin s PHE 16 Ca 0.24 0.22 -0.01 0.00 0.12 0.00 0.00 56.93 57.49 1nin s PHE 16 Cb -0.09 -2.63 -0.00 0.00 -0.57 0.00 0.00 43.02 39.73 1nin s PHE 16 CO 0.14 -0.32 -0.12 -2.00 -0.10 0.00 0.00 175.22 172.82 1nin s GLU 17 N 2.06 3.28 -1.23 0.44 -6.30 0.01 -0.24 118.70 116.72 1nin s GLU 17 Ca 0.14 -0.70 -0.10 0.00 -2.50 0.00 0.00 54.97 51.80 1nin s GLU 17 Cb -0.16 -2.74 0.19 0.00 0.00 0.00 0.00 34.13 31.42 1nin s GLU 17 CO 0.11 -0.03 1.66 -0.35 0.02 0.00 0.00 175.26 176.67 1nin n PRO 18 N 4.23 3.66 0.00 4.30 -0.04 -1.26 -2.89 135.00 143.00 1nin n PRO 18 Ca -0.19 -3.80 0.00 0.00 -0.04 0.00 0.00 63.50 59.47 1nin n PRO 18 Cb 0.51 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 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 3.96 0.00 -1.14 0.55 0.00 0.67 -3.01 120.51 121.53 1nin n ALA 19 Ca 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.62 1nin n ALA 19 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 1nin n ALA 19 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nin n LYS 20 N -0.13 2.03 -1.53 0.00 2.85 -1.26 -2.23 118.16 117.90 1nin n LYS 20 Ca 0.00 -1.57 -0.26 0.00 -1.05 0.00 0.00 58.31 55.42 1nin n LYS 20 Cb 0.00 -1.89 -0.11 0.00 -0.65 0.00 0.00 35.03 32.37 1nin n LYS 20 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1nin n LEU 21 N 1.32 0.84 -4.34 -5.58 -0.00 -1.16 -4.68 117.00 103.40 1nin n LEU 21 Ca 0.39 -0.69 -0.45 0.00 -0.00 0.00 0.00 56.01 55.25 1nin n LEU 21 Cb 0.66 -1.23 -0.00 0.00 -0.00 0.00 0.00 43.42 42.85 1nin n LEU 21 CO 0.24 -1.71 0.78 -0.89 -0.00 0.00 0.00 177.39 175.81 1nin s THR 22 N 9.47 5.94 0.58 1.96 2.01 -1.26 -0.28 115.64 134.06 1nin s THR 22 Ca 1.12 -3.32 0.09 0.00 0.31 0.00 0.00 61.69 59.90 1nin s THR 22 Cb -0.54 -4.61 0.09 0.00 0.01 0.00 0.00 72.50 67.46 1nin s THR 22 CO 0.32 -1.19 0.76 2.30 -0.69 0.00 0.00 174.62 176.12 1nin n ILE 23 N 2.88 0.00 -4.11 1.82 -6.64 -1.20 -4.82 119.36 107.30 1nin n ILE 23 Ca 0.24 -1.99 -0.29 0.00 -1.77 0.00 0.00 62.75 58.93 1nin n ILE 23 Cb 0.40 -0.44 -0.07 0.00 -1.44 0.00 0.00 39.64 38.09 1nin n ILE 23 CO 0.00 0.00 0.00 -1.59 -1.77 0.00 0.00 176.55 173.19 1nin s LYS 24 N -4.62 2.70 -0.89 6.28 -2.85 -1.26 -0.36 119.74 118.75 1nin s LYS 24 Ca 0.58 -0.85 -0.08 0.00 -1.00 0.00 0.00 55.97 54.62 1nin s LYS 24 Cb -0.05 -2.59 -0.30 0.00 -2.06 0.00 0.00 37.83 32.83 1nin s LYS 24 CO 0.37 0.52 2.02 -0.35 0.10 0.00 0.00 175.35 178.01 1nin n PRO 25 N 0.21 0.00 0.00 1.78 -0.04 -1.26 -1.89 135.00 133.81 1nin n PRO 25 Ca -0.09 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1nin n PRO 25 Cb 0.53 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 5.40 1.81 3.15 0.55 0.00 -1.26 -4.86 105.19 109.98 1nin n GLY 26 Ca 0.60 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.10 -1.95 1.61 8.00 -0.79 -3.60 116.55 118.72 1nin n ASP 27 Ca 0.00 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1nin n ASP 27 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 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 5.22 0.00 -1.52 -3.53 -1.04 -1.13 -4.51 114.28 107.77 1nin n THR 28 Ca 0.61 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 62.23 1nin n THR 28 Cb 0.11 -0.61 0.03 0.00 -1.82 0.00 0.00 70.33 68.04 1nin n THR 28 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1nin n VAL 29 N 1.51 2.56 -4.40 12.58 0.31 -1.17 -3.21 118.33 126.50 1nin n VAL 29 Ca 0.00 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.59 1nin n VAL 29 Cb 0.00 -0.83 -0.09 0.00 -0.91 0.00 0.00 33.84 32.01 1nin n VAL 29 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1nin s GLU 30 N -2.17 1.96 -0.65 5.55 4.04 0.22 -1.53 118.70 126.11 1nin s GLU 30 Ca 0.69 -1.71 0.05 0.00 0.04 0.00 0.00 54.97 54.04 1nin s GLU 30 Cb -0.47 -1.90 0.27 0.00 0.02 0.00 0.00 34.13 32.05 1nin s GLU 30 CO 0.53 0.25 0.83 1.19 -1.84 0.00 0.00 175.26 176.21 1nin n PHE 31 N -0.81 3.66 -1.58 4.83 3.72 -1.26 -1.09 117.46 124.93 1nin n PHE 31 Ca -0.05 -4.05 -0.49 0.00 -0.05 0.00 0.00 57.45 52.81 1nin n PHE 31 Cb 0.61 -0.59 -0.04 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.69 1.48 -4.38 4.37 7.94 -1.26 -4.60 117.00 121.23 1nin n LEU 32 Ca 0.30 1.14 -0.46 0.00 -1.11 0.00 0.00 56.01 55.89 1nin n LEU 32 Cb 0.40 -1.21 -0.02 0.00 0.53 0.00 0.00 43.42 43.12 1nin n LEU 32 CO 0.42 -1.33 0.70 0.21 -1.11 0.00 0.00 177.39 176.28 1nin s ASN 33 N -0.02 6.75 -0.22 1.96 2.47 -0.23 -1.92 114.94 123.73 1nin s ASN 33 Ca 0.73 -2.50 -0.16 0.00 0.42 0.00 0.00 52.86 51.35 1nin s ASN 33 Cb -0.86 -2.29 -0.18 0.00 -1.45 0.00 0.00 41.25 36.47 1nin s ASN 33 CO 0.52 -0.76 0.04 -3.20 -3.72 0.00 0.00 177.10 169.99 1nin n ASN 34 N 4.97 1.93 -2.30 -4.21 5.15 -1.24 -0.30 115.26 119.26 1nin n ASN 34 Ca 0.19 0.34 -0.10 0.00 -0.60 0.00 0.00 54.58 54.42 1nin n ASN 34 Cb 0.47 -0.88 -0.03 0.00 -0.53 0.00 0.00 39.78 38.81 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 -4.20 0.59 -1.54 1.20 4.76 -1.25 -4.89 118.16 112.83 1nin n LYS 35 Ca -0.39 -1.42 0.00 0.00 -2.87 0.00 0.00 58.31 53.63 1nin n LYS 35 Cb 0.80 0.89 0.00 0.00 -1.84 0.00 0.00 35.03 34.88 1nin n LYS 35 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1nin n VAL 36 N -0.34 0.00 -0.62 -0.18 0.31 -1.26 -4.90 118.33 111.34 1nin n VAL 36 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.07 1nin n VAL 36 Cb 0.25 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.33 1nin n VAL 36 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1nin n PRO 37 N -0.29 -1.85 -2.98 5.55 -0.04 -1.26 -4.62 135.00 129.50 1nin n PRO 37 Ca 0.00 -0.54 -0.42 0.00 -0.04 0.00 0.00 63.50 62.50 1nin n PRO 37 Cb 0.00 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 31.90 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 -3.33 4.01 -1.10 0.54 0.05 -1.26 -5.07 135.00 128.84 1nin s PRO 38 Ca 0.43 0.60 -0.14 0.00 0.05 0.00 0.00 61.00 61.94 1nin s PRO 38 Cb -0.07 -3.70 0.18 0.00 0.05 0.00 0.00 34.50 30.97 1nin s PRO 38 CO 0.48 -0.60 1.26 -1.01 0.05 0.00 0.00 177.00 177.18 1nin s HIS 39 N 2.83 3.58 -0.24 0.56 3.76 -1.26 -4.53 115.29 119.99 1nin s HIS 39 Ca 0.31 -2.06 -0.06 0.00 -0.15 0.00 0.00 55.06 53.10 1nin s HIS 39 Cb -0.15 -4.19 -0.02 0.00 1.11 0.00 0.00 32.58 29.34 1nin s HIS 39 CO 0.11 -1.31 0.03 -0.80 -0.85 0.00 0.00 174.74 171.92 1nin s ASN 40 N 2.69 4.82 -0.17 1.40 -0.87 -1.26 -4.73 114.94 116.81 1nin s ASN 40 Ca 0.37 -0.27 0.00 0.00 -1.57 0.00 0.00 52.86 51.38 1nin s ASN 40 Cb -0.05 -1.85 0.00 0.00 -0.02 0.00 0.00 41.25 39.33 1nin s ASN 40 CO -0.04 -0.02 -0.16 0.68 -2.57 0.00 0.00 177.10 174.99 1nin s VAL 41 N 1.54 2.52 0.67 1.60 -7.23 -1.26 0.15 120.40 118.39 1nin s VAL 41 Ca 0.06 -0.80 0.03 0.00 -1.81 0.00 0.00 61.98 59.46 1nin s VAL 41 Cb -0.15 -2.07 0.12 0.00 0.56 0.00 0.00 36.38 34.84 1nin s VAL 41 CO 0.01 0.51 0.93 0.68 -0.31 0.00 0.00 175.10 176.92 1nin s VAL 42 N 1.05 2.11 -0.09 1.32 -7.23 0.77 0.34 120.40 118.67 1nin s VAL 42 Ca -0.01 -0.75 -0.15 0.00 -1.81 0.00 0.00 61.98 59.26 1nin s VAL 42 Cb -0.15 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1nin s VAL 42 CO -0.04 0.00 0.39 0.12 -0.31 0.00 0.00 175.10 175.26 1nin s PHE 43 N -2.98 3.58 -0.74 2.82 2.19 -1.24 0.32 117.98 121.92 1nin s PHE 43 Ca 0.65 0.83 -0.27 0.00 0.33 0.00 0.00 56.93 58.47 1nin s PHE 43 Cb -0.05 -2.38 -0.24 0.00 -1.31 0.00 0.00 43.02 39.03 1nin s PHE 43 CO 0.43 0.37 1.90 -0.25 1.83 0.00 0.00 175.22 179.50 1nin n ASP 44 N 2.96 1.71 0.02 6.13 9.92 -0.91 -4.79 116.55 131.59 1nin n ASP 44 Ca -0.11 -2.56 0.00 0.00 -0.53 0.00 0.00 54.79 51.59 1nin n ASP 44 Cb 0.52 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 1nin n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nin n ALA 45 N 14.15 0.00 0.26 2.24 0.00 -1.26 -0.43 120.51 135.47 1nin n ALA 45 Ca 0.45 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.94 1nin n ALA 45 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.96 2.94 -2.31 0.00 0.00 -1.26 -4.40 120.51 114.51 1nin n ALA 46 Ca 0.00 -0.29 -0.40 0.00 0.00 0.00 0.00 53.44 52.75 1nin n ALA 46 Cb 0.50 -0.40 0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.58 7.45 -4.27 0.00 4.32 0.43 -4.95 117.00 118.39 1nin n LEU 47 Ca -0.00 -5.11 -0.22 0.00 -0.02 0.00 0.00 56.01 50.66 1nin n LEU 47 Cb 0.24 -1.17 -0.12 0.00 -1.62 0.00 0.00 43.42 40.75 1nin n LEU 47 CO 0.23 1.96 -0.49 0.54 -1.22 0.00 0.00 177.39 178.42 1nin s ASN 48 N -0.97 2.36 0.00 -1.43 2.20 -1.26 -3.89 114.94 111.95 1nin s ASN 48 Ca 0.45 -0.74 0.00 0.00 -0.94 0.00 0.00 52.86 51.63 1nin s ASN 48 Cb 0.26 -0.12 0.00 0.00 -2.00 0.00 0.00 41.25 39.40 1nin s ASN 48 CO -0.21 -0.02 0.69 -0.81 -2.94 0.00 0.00 177.10 173.82 1nin n PRO 49 N 0.82 0.00 -1.29 3.55 -0.04 -1.25 -3.82 135.00 132.97 1nin n PRO 49 Ca -0.17 0.32 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 1nin n PRO 49 Cb 0.55 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.25 7.20 -0.17 0.55 0.00 -1.26 -4.85 120.51 120.73 1nin n ALA 50 Ca 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.30 1nin n ALA 50 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.41 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 3.10 -0.06 -4.27 0.00 4.76 -1.25 -4.85 118.16 115.59 1nin n LYS 51 Ca 0.68 -0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 55.77 1nin n LYS 51 Cb 0.41 0.02 -0.10 0.00 -1.84 0.00 0.00 35.03 33.51 1nin n LYS 51 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1nin s SER 52 N -0.21 5.20 -0.60 4.39 0.01 -1.26 -5.01 113.70 116.21 1nin s SER 52 Ca 0.00 0.03 -0.00 0.00 1.31 0.00 0.00 55.95 57.28 1nin s SER 52 Cb 0.00 -1.74 0.47 0.00 0.21 0.00 0.00 66.02 64.96 1nin s SER 52 CO 0.00 0.24 1.92 0.00 0.41 0.00 0.00 173.24 175.81 1nin n ALA 53 N 3.08 6.09 -2.29 1.44 0.00 -1.26 -4.77 120.51 122.79 1nin n ALA 53 Ca -0.18 -3.45 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1nin n ALA 53 Cb 0.53 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.92 0.00 0.00 0.00 2.03 -1.26 -4.76 116.55 111.63 1nin n ASP 54 Ca 0.60 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.91 1nin n ASP 54 Cb 0.80 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 1nin n ASP 54 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1nin n LEU 55 N 0.00 0.00 -0.32 -2.67 -0.00 -1.26 0.21 117.00 112.96 1nin n LEU 55 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.19 1nin n LEU 55 Cb 0.00 0.00 0.36 0.00 -0.00 0.00 0.00 43.42 43.78 1nin n LEU 55 CO 0.00 0.00 0.91 0.00 -0.00 0.00 0.00 177.39 178.30 1nin h ALA 56 N 0.00 1.45 0.00 1.96 0.00 -1.90 0.47 119.26 121.25 1nin h ALA 56 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1nin h ALA 56 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nin h ALA 56 CO 0.00 -0.63 0.00 1.63 0.00 0.00 0.00 179.25 180.25 1nin n LYS 57 N -5.35 0.07 0.00 0.00 5.02 0.13 -0.40 118.16 117.64 1nin n LYS 57 Ca 0.26 0.21 0.11 0.00 -2.02 0.00 0.00 58.31 56.88 1nin n LYS 57 Cb 0.87 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.43 1nin n LYS 57 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1nin n SER 58 N -1.44 2.52 -0.08 4.39 2.88 0.16 -4.21 113.62 117.86 1nin n SER 58 Ca 0.05 -1.76 -0.14 0.00 -1.33 0.00 0.00 58.87 55.69 1nin n SER 58 Cb 0.16 0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 63.78 1nin n SER 58 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1nin n LEU 59 N 0.70 1.89 -4.44 2.46 7.94 -0.25 -5.00 117.00 120.29 1nin n LEU 59 Ca 0.12 0.08 -0.32 0.00 -1.11 0.00 0.00 56.01 54.77 1nin n LEU 59 Cb 0.53 -0.48 -0.14 0.00 0.53 0.00 0.00 43.42 43.87 1nin n LEU 59 CO 0.21 0.50 -0.47 -0.44 -1.11 0.00 0.00 177.39 176.08 1nin s SER 60 N -5.98 3.87 0.00 1.96 0.01 0.47 -5.01 113.70 109.02 1nin s SER 60 Ca -0.21 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1nin s SER 60 Cb 0.07 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1nin s SER 60 CO 0.30 0.33 0.00 0.00 0.41 0.00 0.00 173.24 174.28 1nin n HIS 61 N 2.40 0.00 0.00 2.43 1.44 1.05 -3.66 115.22 118.89 1nin n HIS 61 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 1nin n HIS 61 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 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 -1.08 0.00 -1.67 -1.40 4.76 -1.26 -4.16 118.16 113.34 1nin n LYS 62 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1nin n LYS 62 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1nin n LYS 62 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1nin n GLN 63 N 0.00 -2.80 -3.35 1.97 6.02 -1.26 -4.81 117.38 113.15 1nin n GLN 63 Ca 0.00 2.03 -0.30 0.00 -0.01 0.00 0.00 57.00 58.72 1nin n GLN 63 Cb 0.00 -2.49 0.03 0.00 1.02 0.00 0.00 30.24 28.80 1nin n GLN 63 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1nin n LEU 64 N 0.26 -3.97 -4.22 1.08 4.32 -1.26 -4.83 117.00 108.38 1nin n LEU 64 Ca 0.00 -0.01 -0.43 0.00 -0.02 0.00 0.00 56.01 55.55 1nin n LEU 64 Cb 0.00 -2.10 0.00 0.00 -1.62 0.00 0.00 43.42 39.70 1nin n LEU 64 CO 0.00 -0.63 2.14 -0.11 -1.22 0.00 0.00 177.39 177.57 1nin n LEU 65 N -0.32 5.77 -2.03 2.23 -0.00 -1.26 -4.66 117.00 116.72 1nin n LEU 65 Ca -0.04 -4.13 -0.20 0.00 -0.00 0.00 0.00 56.01 51.64 1nin n LEU 65 Cb 0.63 -1.68 0.15 0.00 -0.00 0.00 0.00 43.42 42.52 1nin n LEU 65 CO 0.54 0.65 1.16 0.80 -0.00 0.00 0.00 177.39 180.54 1nin n MET 66 N 6.89 2.05 -3.71 1.96 0.00 -1.26 -4.26 117.12 118.78 1nin n MET 66 Ca 0.48 -2.52 -0.34 0.00 -0.00 0.00 0.00 57.70 55.31 1nin n MET 66 Cb 0.42 -1.99 -0.08 0.00 0.00 0.00 0.00 33.22 31.57 1nin n MET 66 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1nin s SER 67 N -0.93 5.58 -0.17 6.12 0.01 -1.26 -5.09 113.70 117.96 1nin s SER 67 Ca 0.48 -3.57 -0.42 0.00 1.31 0.00 0.00 55.95 53.74 1nin s SER 67 Cb 0.40 -1.84 -0.20 0.00 0.21 0.00 0.00 66.02 64.60 1nin s SER 67 CO 0.09 -0.20 1.29 -0.81 0.41 0.00 0.00 173.24 174.03 1nin n PRO 68 N 2.49 0.14 0.00 12.44 -0.04 -1.26 -3.13 135.00 145.64 1nin n PRO 68 Ca 0.18 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1nin n PRO 68 Cb 0.37 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 2.50 2.16 0.00 0.55 0.00 0.58 -4.95 105.19 106.04 1nin n GLY 69 Ca 0.24 -0.17 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 -0.18 0.00 0.00 0.00 173.32 173.14 1nin n GLN 70 N 0.00 0.00 -4.10 1.61 -0.06 -1.18 -1.06 117.38 112.58 1nin n GLN 70 Ca 0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.76 1nin n GLN 70 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 1nin n GLN 70 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1nin s SER 71 N 0.00 4.49 -0.79 1.69 0.15 -1.26 -4.36 113.70 113.62 1nin s SER 71 Ca 0.00 -1.01 0.01 0.00 0.70 0.00 0.00 55.95 55.65 1nin s SER 71 Cb 0.00 -0.52 0.19 0.00 -1.71 0.00 0.00 66.02 63.98 1nin s SER 71 CO 0.00 -0.50 0.62 0.28 1.20 0.00 0.00 173.24 174.85 1nin s THR 72 N -2.56 3.67 -1.11 6.45 -1.32 -1.26 -4.90 115.64 114.60 1nin s THR 72 Ca 0.41 -3.94 -0.22 0.00 -1.21 0.00 0.00 61.69 56.73 1nin s THR 72 Cb 0.02 -3.34 -0.00 0.00 -1.51 0.00 0.00 72.50 67.67 1nin s THR 72 CO 0.23 -1.03 1.77 -0.94 -2.21 0.00 0.00 174.62 172.43 1nin s SER 73 N -0.60 5.91 0.00 8.08 1.04 -1.25 -4.07 113.70 122.81 1nin s SER 73 Ca 0.25 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1nin s SER 73 Cb -0.08 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 1nin s SER 73 CO -0.13 -2.10 0.08 -0.89 0.98 0.00 0.00 173.24 171.18 1nin s THR 74 N 7.48 4.68 0.46 2.02 2.01 -0.58 -4.79 115.64 126.91 1nin s THR 74 Ca 0.59 -0.45 0.08 0.00 0.31 0.00 0.00 61.69 62.21 1nin s THR 74 Cb -0.01 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.37 1nin s THR 74 CO 0.03 0.33 0.46 0.28 -0.69 0.00 0.00 174.62 175.03 1nin s THR 75 N -1.21 2.42 0.41 -0.82 -1.32 -1.26 -3.26 115.64 110.60 1nin s THR 75 Ca 0.23 -1.29 0.07 0.00 -1.21 0.00 0.00 61.69 59.49 1nin s THR 75 Cb -0.12 -2.71 -0.06 0.00 -1.51 0.00 0.00 72.50 68.10 1nin s THR 75 CO 0.14 0.00 0.14 -0.36 -2.21 0.00 0.00 174.62 172.34 1nin s PHE 76 N -2.55 2.59 0.00 9.09 0.08 -1.24 -4.99 117.98 120.96 1nin s PHE 76 Ca 0.48 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.92 1nin s PHE 76 Cb -0.04 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.49 1nin s PHE 76 CO 0.29 0.24 0.00 -0.35 -0.10 0.00 0.00 175.22 175.30 1nin n PRO 77 N -1.18 3.49 -0.09 0.24 -0.04 -1.26 -4.56 135.00 131.60 1nin n PRO 77 Ca -0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.32 1nin n PRO 77 Cb 0.65 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.03 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 -3.00 1.61 -0.76 0.55 0.00 -1.26 -4.46 120.51 113.20 1nin n ALA 78 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1nin n ALA 78 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -3.01 0.00 -0.32 0.00 5.75 -1.26 -4.29 116.55 113.43 1nin n ASP 79 Ca -0.32 0.57 0.02 0.00 -0.01 0.00 0.00 54.79 55.05 1nin n ASP 79 Cb 0.85 -0.12 0.08 0.00 -1.03 0.00 0.00 41.12 40.89 1nin n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nin n ALA 80 N -0.86 0.05 -2.43 2.12 0.00 -1.26 -4.45 120.51 113.67 1nin n ALA 80 Ca 0.00 0.90 -0.41 0.00 0.00 0.00 0.00 53.44 53.93 1nin n ALA 80 Cb 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 -5.33 4.66 -3.99 0.00 -0.04 -1.26 -4.91 135.00 124.13 1nin n PRO 81 Ca 0.11 -4.03 -0.32 0.00 -0.04 0.00 0.00 63.50 59.22 1nin n PRO 81 Cb 0.39 -2.61 -0.15 0.00 -0.04 0.00 0.00 33.50 31.09 1nin n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin s ALA 82 N -2.13 2.90 0.00 0.55 0.00 -1.26 -4.71 121.76 117.10 1nin s ALA 82 Ca 0.43 -2.44 0.00 0.00 0.00 0.00 0.00 51.96 49.95 1nin s ALA 82 Cb 0.15 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1nin s ALA 82 CO -0.05 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 174.48 1nin n GLY 83 N 4.32 0.07 3.60 0.00 0.00 -1.21 -4.72 105.19 107.24 1nin n GLY 83 Ca 0.01 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.62 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 0.00 2.18 0.00 1.61 -1.05 -1.26 -0.30 118.70 119.88 1nin s GLU 84 Ca 0.00 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 1nin s GLU 84 Cb 0.00 -2.25 0.00 0.00 -0.44 0.00 0.00 34.13 31.44 1nin s GLU 84 CO 0.00 0.45 0.00 0.66 0.95 0.00 0.00 175.26 177.32 1nin n TYR 85 N 0.12 0.00 0.00 4.83 4.01 -0.35 -3.84 117.16 121.93 1nin n TYR 85 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1nin n TYR 85 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 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 0.00 0.00 -3.13 -0.72 -1.04 -1.17 -4.61 114.28 103.61 1nin n THR 86 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1nin n THR 86 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1nin n THR 86 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1nin s PHE 87 N 0.00 3.83 -0.78 -1.42 0.08 0.88 -2.13 117.98 118.44 1nin s PHE 87 Ca 0.00 1.42 -0.07 0.00 0.12 0.00 0.00 56.93 58.40 1nin s PHE 87 Cb 0.00 -2.63 0.20 0.00 -0.57 0.00 0.00 43.02 40.02 1nin s PHE 87 CO 0.00 0.52 0.66 -0.47 -0.10 0.00 0.00 175.22 175.83 1nin s TYR 88 N -0.97 3.67 -0.92 0.36 6.14 0.15 -3.06 117.35 122.72 1nin s TYR 88 Ca 0.32 -2.54 -0.25 0.00 0.64 0.00 0.00 57.07 55.24 1nin s TYR 88 Cb -0.21 -3.46 -0.11 0.00 0.42 0.00 0.00 41.96 38.60 1nin s TYR 88 CO 0.22 -0.88 2.14 0.00 0.64 0.00 0.00 175.55 177.67 1nin n GLU 90 N 8.67 0.00 -0.40 0.00 1.02 0.38 -0.42 120.64 129.90 1nin n GLU 90 Ca 0.43 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.61 1nin n GLU 90 Cb 0.45 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 32.07 1nin n GLU 90 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1nin n PRO 91 N -0.60 2.74 0.00 3.49 -0.04 -1.26 -4.30 135.00 135.02 1nin n PRO 91 Ca 0.00 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1nin n PRO 91 Cb 0.00 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1nin n PRO 91 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1nin n HIS 92 N 0.37 0.00 0.00 0.54 8.25 0.44 -4.90 115.22 119.92 1nin n HIS 92 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1nin n HIS 92 Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 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 -1.81 0.00 -0.41 -0.41 3.00 -0.21 -1.63 116.66 115.19 1nin n ARG 93 Ca 0.00 0.00 0.34 0.00 -0.00 0.00 0.00 57.85 58.19 1nin n ARG 93 Cb 0.36 0.00 0.55 0.00 0.00 0.00 0.00 32.46 33.38 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 -0.81 -0.68 2.14 5.14 0.00 -1.26 0.66 105.19 110.38 1nin n GLY 94 Ca 0.00 0.58 -0.17 0.00 0.00 0.00 0.00 46.02 46.43 1nin n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nin n ALA 95 N -2.58 5.20 0.00 4.61 0.00 -0.65 -4.98 120.51 122.11 1nin n ALA 95 Ca 0.32 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 51.12 1nin n ALA 95 Cb 1.30 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.74 1.90 3.46 0.00 0.00 0.21 -4.76 105.19 105.25 1nin n GLY 96 Ca 0.52 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.88 -3.90 1.61 2.00 -1.26 -4.81 117.12 109.88 1nin n MET 97 Ca 0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 57.70 57.22 1nin n MET 97 Cb 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 33.22 32.29 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 -3.93 3.22 -0.54 2.03 1.01 -1.26 -3.46 120.40 117.47 1nin s VAL 98 Ca 0.08 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1nin s VAL 98 Cb -0.04 -2.63 0.14 0.00 0.00 0.00 0.00 36.38 33.85 1nin s VAL 98 CO 0.34 0.19 0.31 -0.83 0.00 0.00 0.00 175.10 175.11 1nin s GLY 99 N 1.39 2.39 -1.19 4.51 0.00 -1.17 -4.77 107.32 108.48 1nin s GLY 99 Ca 0.01 -3.27 -0.14 0.00 0.00 0.00 0.00 44.72 41.33 1nin s GLY 99 CO -0.02 1.15 1.41 -1.59 0.00 0.00 0.00 173.10 174.04 1nin s LYS 100 N -0.44 4.06 -0.02 2.90 -2.85 -0.95 -0.09 119.74 122.37 1nin s LYS 100 Ca 0.19 -2.55 -0.37 0.00 -1.00 0.00 0.00 55.97 52.24 1nin s LYS 100 Cb -0.20 -5.04 -0.16 0.00 -2.06 0.00 0.00 37.83 30.37 1nin s LYS 100 CO -0.04 -1.75 1.50 -0.89 0.10 0.00 0.00 175.35 174.27 1nin n ILE 101 N 4.62 0.12 -3.71 3.79 5.41 -1.26 -4.29 119.36 124.04 1nin n ILE 101 Ca 0.36 -0.02 -0.37 0.00 1.00 0.00 0.00 62.75 63.72 1nin n ILE 101 Cb 0.43 -1.06 -0.10 0.00 -0.71 0.00 0.00 39.64 38.20 1nin n ILE 101 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1nin s THR 102 N 1.56 3.67 0.09 1.39 2.01 0.61 -1.21 115.64 123.77 1nin s THR 102 Ca 0.88 -2.55 -0.30 0.00 0.31 0.00 0.00 61.69 60.03 1nin s THR 102 Cb -0.94 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 68.08 1nin s THR 102 CO 0.51 -0.81 1.05 -0.69 -0.69 0.00 0.00 174.62 173.99 1nin s VAL 103 N 0.46 4.33 -0.97 3.82 1.01 0.59 -3.21 120.40 126.42 1nin s VAL 103 Ca 0.13 1.83 -0.09 0.00 0.00 0.00 0.00 61.98 63.85 1nin s VAL 103 Cb -0.21 -4.17 0.25 0.00 0.00 0.00 0.00 36.38 32.25 1nin s VAL 103 CO -0.04 0.23 0.93 0.00 0.00 0.00 0.00 175.10 176.22 1nin s ALA 104 N 0.39 4.42 0.00 5.51 0.00 0.51 -3.34 121.76 129.26 1nin s ALA 104 Ca 0.51 -3.67 0.00 0.00 0.00 0.00 0.00 51.96 48.80 1nin s ALA 104 Cb -0.26 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1nin s ALA 104 CO 0.31 -2.21 0.18 0.41 0.00 0.00 0.00 175.76 174.44