#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 -1.67 2.62 -1.04 -0.73 -4.39 114.28 109.07 1nin n THR 2 Ca 0.00 -0.36 -0.39 0.00 -2.04 0.00 0.00 64.05 61.26 1nin n THR 2 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1nin n THR 2 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1nin s TYR 3 N 1.15 1.23 -0.54 -1.42 2.02 -0.89 -3.80 117.35 115.09 1nin s TYR 3 Ca 0.00 1.12 -0.13 0.00 -0.37 0.00 0.00 57.07 57.69 1nin s TYR 3 Cb 0.00 -3.78 -0.12 0.00 -0.40 0.00 0.00 41.96 37.66 1nin s TYR 3 CO 0.00 -2.97 1.57 0.25 -1.57 0.00 0.00 175.55 172.83 1nin n THR 4 N 7.79 0.00 -2.48 -0.71 -2.24 -1.26 -1.47 114.28 113.91 1nin n THR 4 Ca 0.32 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1nin n THR 4 Cb 0.51 -0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 67.77 1nin n THR 4 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nin s VAL 5 N 8.28 4.23 -0.60 2.28 1.01 0.13 -4.67 120.40 131.07 1nin s VAL 5 Ca 0.43 1.39 -0.02 0.00 0.00 0.00 0.00 61.98 63.78 1nin s VAL 5 Cb -0.05 -4.23 0.30 0.00 0.00 0.00 0.00 36.38 32.40 1nin s VAL 5 CO 0.10 -0.50 2.17 0.29 0.00 0.00 0.00 175.10 177.17 1nin n LYS 6 N 7.22 2.46 0.00 2.72 5.02 -1.26 -0.16 118.16 134.17 1nin n LYS 6 Ca 0.14 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 53.63 1nin n LYS 6 Cb 0.47 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 1nin n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nin n LEU 7 N -0.21 0.00 0.00 -0.35 4.77 -0.66 -3.79 117.00 116.76 1nin n LEU 7 Ca 0.51 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1nin n LEU 7 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1nin n LEU 7 CO 0.55 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1nin n GLY 8 N 0.00 0.35 0.00 -0.72 0.00 -1.21 -3.25 105.19 100.35 1nin n GLY 8 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.00 1.61 2.88 -0.19 -4.41 113.62 113.51 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 -0.90 -1.23 0.00 0.00 175.04 172.91 1nin n ASP 10 N -3.15 0.00 -0.02 -3.46 5.75 -1.26 -4.99 116.55 109.41 1nin n ASP 10 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.75 1nin n ASP 10 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1nin n ASP 10 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1nin n LYS 11 N -0.28 0.86 0.00 0.11 4.01 -1.26 -4.91 118.16 116.69 1nin n LYS 11 Ca 0.00 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 1nin n LYS 11 Cb 0.00 -1.11 0.00 0.00 -0.51 0.00 0.00 35.03 33.41 1nin n LYS 11 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nin n GLY 12 N 3.13 1.00 3.57 0.72 0.00 -1.26 -4.70 105.19 107.65 1nin n GLY 12 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 3.24 0.00 0.99 1.43 -1.26 -4.82 118.68 118.25 1nin s LEU 13 Ca 0.00 -1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 51.91 1nin s LEU 13 Cb 0.00 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 1nin s LEU 13 CO 0.00 -2.52 1.28 0.18 0.23 0.00 0.00 176.35 175.52 1nin n LEU 14 N 12.87 2.37 -4.85 1.79 4.77 -1.26 -1.02 117.00 131.67 1nin n LEU 14 Ca 0.41 -1.31 -0.24 0.00 -0.03 0.00 0.00 56.01 54.84 1nin n LEU 14 Cb 0.47 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1nin n LEU 14 CO 0.64 0.46 -0.03 0.54 -1.33 0.00 0.00 177.39 177.68 1nin s VAL 15 N 1.49 2.24 -0.05 4.08 0.11 -1.26 -4.04 120.40 122.98 1nin s VAL 15 Ca 0.11 -1.49 0.03 0.00 -2.93 0.00 0.00 61.98 57.71 1nin s VAL 15 Cb 0.05 -2.73 -0.03 0.00 -1.53 0.00 0.00 36.38 32.15 1nin s VAL 15 CO 0.00 0.00 -0.12 -0.36 -3.33 0.00 0.00 175.10 171.29 1nin s PHE 16 N -2.60 2.76 -0.76 1.54 0.08 -1.26 -3.34 117.98 114.40 1nin s PHE 16 Ca 0.42 -0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.39 1nin s PHE 16 Cb -0.01 -1.64 0.30 0.00 -0.57 0.00 0.00 43.02 41.10 1nin s PHE 16 CO 0.24 0.24 1.10 -0.85 -0.10 0.00 0.00 175.22 175.85 1nin n GLU 17 N 2.21 3.53 -3.54 0.44 -0.00 -1.26 -0.97 120.64 121.05 1nin n GLU 17 Ca -0.17 -4.71 -0.20 0.00 -0.00 0.00 0.00 57.16 52.08 1nin n GLU 17 Cb 0.52 -2.33 -0.02 0.00 -0.00 0.00 0.00 31.44 29.61 1nin n GLU 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1nin s PRO 18 N -3.12 2.80 -0.09 3.44 0.04 -1.26 -4.71 135.00 132.10 1nin s PRO 18 Ca 0.41 -1.26 0.11 0.00 0.04 0.00 0.00 61.00 60.30 1nin s PRO 18 Cb 0.18 -2.59 -0.16 0.00 0.04 0.00 0.00 34.50 31.97 1nin s PRO 18 CO -0.04 -0.03 0.10 0.00 0.04 0.00 0.00 177.00 177.07 1nin n ALA 19 N -1.55 1.89 -3.64 8.56 0.00 -0.14 -4.80 120.51 120.83 1nin n ALA 19 Ca 0.01 -0.68 -0.39 0.00 0.00 0.00 0.00 53.44 52.39 1nin n ALA 19 Cb 0.60 -0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 1nin n ALA 19 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nin s LYS 20 N -2.44 2.78 -0.48 0.00 1.02 -1.26 -0.41 119.74 118.94 1nin s LYS 20 Ca -0.06 -2.51 -0.04 0.00 0.02 0.00 0.00 55.97 53.38 1nin s LYS 20 Cb 0.05 -3.88 0.13 0.00 -0.52 0.00 0.00 37.83 33.61 1nin s LYS 20 CO 0.51 -1.20 0.30 -1.17 -0.92 0.00 0.00 175.35 172.87 1nin s LEU 21 N -0.00 5.37 -0.32 3.17 0.20 0.24 -5.02 118.68 122.31 1nin s LEU 21 Ca 0.17 -2.24 -0.28 0.00 0.69 0.00 0.00 54.13 52.47 1nin s LEU 21 Cb -0.18 -1.88 0.01 0.00 -0.43 0.00 0.00 46.19 43.72 1nin s LEU 21 CO -0.04 -0.53 1.03 -0.89 -0.29 0.00 0.00 176.35 175.62 1nin s THR 22 N 0.85 4.55 0.00 3.68 2.01 -1.26 -0.16 115.64 125.31 1nin s THR 22 Ca 0.10 1.62 0.00 0.00 0.31 0.00 0.00 61.69 63.73 1nin s THR 22 Cb -0.22 -4.37 0.00 0.00 0.01 0.00 0.00 72.50 67.91 1nin s THR 22 CO -0.03 -0.45 0.00 2.30 -0.69 0.00 0.00 174.62 175.74 1nin n ILE 23 N 5.83 0.00 -1.68 1.82 -5.35 0.21 -4.87 119.36 115.32 1nin n ILE 23 Ca 0.11 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 1nin n ILE 23 Cb 0.47 -1.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.28 1nin n ILE 23 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1nin n LYS 24 N -0.40 1.33 -0.41 6.28 5.02 -1.26 -3.90 118.16 124.82 1nin n LYS 24 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1nin n LYS 24 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1nin n LYS 24 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1nin n PRO 25 N -0.52 0.00 0.00 1.97 -0.04 -1.16 -0.89 135.00 134.36 1nin n PRO 25 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1nin n PRO 25 Cb 0.00 -0.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 2.32 1.95 7.00 0.55 0.00 -1.26 -4.92 105.19 110.82 1nin n GLY 26 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 4.03 -0.51 -4.45 1.61 2.03 -1.25 -4.15 116.55 113.87 1nin n ASP 27 Ca 0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 1nin n ASP 27 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 1nin n ASP 27 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1nin s THR 28 N 0.00 3.32 -0.00 5.18 -4.23 -1.26 -1.08 115.64 117.57 1nin s THR 28 Ca 0.00 -0.58 0.08 0.00 -1.18 0.00 0.00 61.69 60.00 1nin s THR 28 Cb 0.00 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 1nin s THR 28 CO 0.00 0.54 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.69 1nin s VAL 29 N 0.00 1.89 -0.10 2.29 1.01 0.12 -1.77 120.40 123.85 1nin s VAL 29 Ca -0.02 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1nin s VAL 29 Cb -0.14 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1nin s VAL 29 CO 0.04 0.48 -0.13 -0.70 0.00 0.00 0.00 175.10 174.79 1nin s GLU 30 N -0.70 3.03 -0.31 2.72 2.12 -0.54 -0.83 118.70 124.18 1nin s GLU 30 Ca 0.09 -0.68 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 1nin s GLU 30 Cb -0.09 -2.54 0.05 0.00 0.26 0.00 0.00 34.13 31.81 1nin s GLU 30 CO -0.00 0.39 0.02 -0.06 -0.54 0.00 0.00 175.26 175.07 1nin s PHE 31 N -0.12 3.28 -0.29 5.30 0.40 -0.07 0.22 117.98 126.71 1nin s PHE 31 Ca -0.01 -1.88 -0.03 0.00 -0.60 0.00 0.00 56.93 54.41 1nin s PHE 31 Cb -0.14 -2.18 0.04 0.00 0.51 0.00 0.00 43.02 41.25 1nin s PHE 31 CO 0.03 -0.81 0.01 -1.17 0.70 0.00 0.00 175.22 173.99 1nin s LEU 32 N 1.25 3.78 -1.40 -0.37 2.96 0.78 -0.91 118.68 124.78 1nin s LEU 32 Ca -0.04 -1.06 -0.13 0.00 -0.22 0.00 0.00 54.13 52.68 1nin s LEU 32 Cb -0.20 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1nin s LEU 32 CO -0.01 -0.23 2.41 -0.46 -1.32 0.00 0.00 176.35 176.74 1nin n ASN 33 N 4.71 5.25 -0.36 3.68 6.94 -1.23 -1.66 115.26 132.59 1nin n ASN 33 Ca -0.14 -2.71 0.04 0.00 -0.02 0.00 0.00 54.58 51.76 1nin n ASN 33 Cb 0.45 -1.53 0.12 0.00 -2.36 0.00 0.00 39.78 36.46 1nin n ASN 33 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1nin n ASN 34 N 5.38 -0.42 -1.19 0.53 5.15 -1.25 -3.73 115.26 119.73 1nin n ASN 34 Ca 0.59 1.70 0.00 0.00 -0.60 0.00 0.00 54.58 56.27 1nin n ASN 34 Cb 0.33 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 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 -5.57 0.61 -0.14 1.20 4.01 -1.20 -4.77 118.16 112.30 1nin n LYS 35 Ca 0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.94 1nin n LYS 35 Cb 0.47 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.99 1nin n LYS 35 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1nin n VAL 36 N 0.00 0.00 -0.59 -0.18 0.31 -1.26 -4.88 118.33 111.73 1nin n VAL 36 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1nin n VAL 36 Cb 0.00 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.09 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 -0.00 -2.05 -3.01 5.55 -0.04 -1.26 -4.58 135.00 129.61 1nin n PRO 37 Ca 0.00 -0.60 -0.41 0.00 -0.04 0.00 0.00 63.50 62.45 1nin n PRO 37 Cb 0.00 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 31.84 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 -3.48 4.20 -1.27 0.54 0.04 -1.26 -5.03 135.00 128.74 1nin s PRO 38 Ca 0.46 0.77 -0.16 0.00 0.04 0.00 0.00 61.00 62.12 1nin s PRO 38 Cb -0.08 -3.61 0.11 0.00 0.04 0.00 0.00 34.50 30.96 1nin s PRO 38 CO 0.50 -0.38 1.64 0.72 0.04 0.00 0.00 177.00 179.52 1nin n HIS 39 N 5.51 4.71 -1.30 0.56 8.25 -0.91 -4.54 115.22 127.50 1nin n HIS 39 Ca 0.02 -3.05 -0.38 0.00 -0.26 0.00 0.00 57.72 54.05 1nin n HIS 39 Cb 0.49 -2.44 -0.03 0.00 1.12 0.00 0.00 29.99 29.13 1nin n HIS 39 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1nin n ASN 40 N 7.12 7.84 -4.60 0.41 4.05 -1.26 -4.49 115.26 124.33 1nin n ASN 40 Ca 0.44 -2.58 -0.43 0.00 0.45 0.00 0.00 54.58 52.47 1nin n ASN 40 Cb 0.44 -1.52 -0.02 0.00 1.23 0.00 0.00 39.78 39.91 1nin n ASN 40 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1nin s VAL 41 N 2.43 4.29 0.13 3.44 -7.23 -1.26 -2.67 120.40 119.53 1nin s VAL 41 Ca 0.65 1.21 -0.04 0.00 -1.81 0.00 0.00 61.98 61.99 1nin s VAL 41 Cb 0.17 -4.55 -0.05 0.00 0.56 0.00 0.00 36.38 32.51 1nin s VAL 41 CO -0.06 -0.91 0.35 -0.69 -0.31 0.00 0.00 175.10 173.48 1nin s VAL 42 N 4.22 5.21 0.36 1.32 1.01 0.18 -0.58 120.40 132.13 1nin s VAL 42 Ca 0.46 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 1nin s VAL 42 Cb -0.08 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1nin s VAL 42 CO 0.29 0.04 0.67 -0.36 0.00 0.00 0.00 175.10 175.73 1nin s PHE 43 N -1.65 3.49 0.32 5.22 0.40 0.20 -0.36 117.98 125.61 1nin s PHE 43 Ca 0.40 0.79 -0.07 0.00 -0.60 0.00 0.00 56.93 57.44 1nin s PHE 43 Cb -0.12 -2.24 -0.06 0.00 0.51 0.00 0.00 43.02 41.11 1nin s PHE 43 CO 0.26 -0.00 0.62 0.16 0.70 0.00 0.00 175.22 176.96 1nin s ASP 44 N -3.37 6.49 0.00 1.36 1.47 0.14 -4.37 116.67 118.39 1nin s ASP 44 Ca 0.47 0.87 0.04 0.00 1.18 0.00 0.00 52.55 55.10 1nin s ASP 44 Cb -0.10 -2.21 0.01 0.00 -0.34 0.00 0.00 42.92 40.28 1nin s ASP 44 CO 0.33 -0.25 0.47 0.00 0.68 0.00 0.00 175.17 176.40 1nin n ALA 45 N -0.98 2.47 -0.05 2.11 0.00 -1.26 -4.16 120.51 118.63 1nin n ALA 45 Ca -0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 1nin n ALA 45 Cb 0.54 -0.12 -0.04 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 -0.19 2.10 -0.05 0.00 0.00 -1.26 -3.66 120.51 117.46 1nin n ALA 46 Ca 0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 1nin n ALA 46 Cb 0.08 0.32 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 1nin n ALA 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1nin h LEU 47 N -0.25 0.27 -1.82 0.00 3.38 -1.92 -3.44 115.31 111.54 1nin h LEU 47 Ca -0.26 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.14 1nin h LEU 47 Cb 1.29 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.97 1nin h LEU 47 CO -0.12 0.61 0.04 -3.20 0.09 0.00 0.00 178.44 175.86 1nin n ASN 48 N -4.69 0.06 -0.33 -0.43 2.85 -1.25 -4.81 115.26 106.65 1nin n ASN 48 Ca -0.06 0.24 0.15 0.00 -0.11 0.00 0.00 54.58 54.79 1nin n ASN 48 Cb 0.27 -0.18 0.30 0.00 1.24 0.00 0.00 39.78 41.41 1nin n ASN 48 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1nin h PRO 49 N 0.70 0.04 -0.65 1.20 0.13 -1.85 -1.19 132.00 130.37 1nin h PRO 49 Ca -0.10 -0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.60 1nin h PRO 49 Cb 0.29 -0.01 -0.26 0.00 0.13 0.00 0.00 31.00 31.15 1nin h PRO 49 CO 0.15 0.02 -0.06 0.00 -0.23 0.00 0.00 178.00 177.88 1nin n ALA 50 N -3.01 5.08 -0.59 -0.56 0.00 -1.26 -5.02 120.51 115.15 1nin n ALA 50 Ca 0.23 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.25 1nin n ALA 50 Cb 0.77 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.95 -0.18 -4.12 0.00 4.01 -0.45 -4.87 118.16 111.60 1nin n LYS 51 Ca 0.45 -0.07 -0.35 0.00 -0.51 0.00 0.00 58.31 57.83 1nin n LYS 51 Cb 0.96 0.12 -0.09 0.00 -0.51 0.00 0.00 35.03 35.51 1nin n LYS 51 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1nin s SER 52 N -0.77 5.62 -0.04 4.39 0.01 -1.24 -4.77 113.70 116.89 1nin s SER 52 Ca 0.00 0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.41 1nin s SER 52 Cb 0.00 -1.82 -0.07 0.00 0.21 0.00 0.00 66.02 64.34 1nin s SER 52 CO 0.00 0.29 2.56 0.00 0.41 0.00 0.00 173.24 176.50 1nin n ALA 53 N 2.76 4.95 -2.00 1.44 0.00 -1.26 -4.17 120.51 122.24 1nin n ALA 53 Ca -0.18 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1nin n ALA 53 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.70 0.00 -0.20 0.00 2.03 -1.26 -4.81 116.55 114.01 1nin n ASP 54 Ca 0.18 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.59 1nin n ASP 54 Cb 0.64 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.23 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 -0.05 -0.16 -2.67 7.94 -1.26 -0.24 117.00 120.56 1nin n LEU 55 Ca 0.00 0.99 0.07 0.00 -1.11 0.00 0.00 56.01 55.97 1nin n LEU 55 Cb 0.00 -0.37 0.14 0.00 0.53 0.00 0.00 43.42 43.72 1nin n LEU 55 CO 0.00 -1.01 0.37 0.00 -1.11 0.00 0.00 177.39 175.64 1nin n ALA 56 N -3.31 0.24 -0.02 1.96 0.00 -1.26 -0.48 120.51 117.64 1nin n ALA 56 Ca 0.14 0.49 -0.04 0.00 0.00 0.00 0.00 53.44 54.03 1nin n ALA 56 Cb 0.47 -0.36 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 1nin n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nin n LYS 57 N -4.48 0.12 -0.08 0.00 3.00 0.66 0.61 118.16 117.98 1nin n LYS 57 Ca 0.11 0.03 0.26 0.00 -0.00 0.00 0.00 58.31 58.71 1nin n LYS 57 Cb 0.36 -1.00 0.66 0.00 0.00 0.00 0.00 35.03 35.05 1nin n LYS 57 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1nin h SER 58 N -0.04 0.00 0.00 3.14 0.02 -0.46 -2.58 113.55 113.63 1nin h SER 58 Ca -0.11 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.56 1nin h SER 58 Cb 1.16 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 1nin h SER 58 CO -0.03 0.00 -2.06 -0.11 -1.14 0.00 0.00 176.83 173.49 1nin n LEU 59 N -3.64 2.74 -4.84 5.07 7.94 0.37 -4.97 117.00 119.66 1nin n LEU 59 Ca 0.16 -0.09 -0.30 0.00 -1.11 0.00 0.00 56.01 54.67 1nin n LEU 59 Cb 1.03 -0.57 0.18 0.00 0.53 0.00 0.00 43.42 44.59 1nin n LEU 59 CO 0.29 0.78 0.80 -0.94 -1.11 0.00 0.00 177.39 177.20 1nin s SER 60 N -5.72 2.87 0.73 1.96 1.04 -0.97 -4.98 113.70 108.63 1nin s SER 60 Ca -0.24 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1nin s SER 60 Cb 0.06 -0.66 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1nin s SER 60 CO 0.44 -2.90 0.00 1.41 0.98 0.00 0.00 173.24 173.17 1nin n HIS 61 N -3.92 -2.07 -4.70 5.02 8.25 0.26 -4.90 115.22 113.16 1nin n HIS 61 Ca 0.13 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.28 1nin n HIS 61 Cb 0.60 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.63 1nin n HIS 61 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1nin s LYS 62 N -2.20 2.12 -0.14 -0.41 1.02 -1.26 -4.74 119.74 114.13 1nin s LYS 62 Ca 0.00 -2.33 -0.02 0.00 0.02 0.00 0.00 55.97 53.63 1nin s LYS 62 Cb 0.00 -1.35 -0.02 0.00 -0.52 0.00 0.00 37.83 35.94 1nin s LYS 62 CO 0.00 -0.36 2.56 1.04 -0.92 0.00 0.00 175.35 177.68 1nin n GLN 63 N -1.17 1.66 -2.66 1.68 6.02 -1.26 -4.16 117.38 117.49 1nin n GLN 63 Ca -0.15 -0.97 -0.05 0.00 -0.01 0.00 0.00 57.00 55.82 1nin n GLN 63 Cb 0.67 -1.58 0.11 0.00 1.02 0.00 0.00 30.24 30.46 1nin n GLN 63 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1nin n LEU 64 N 1.43 -1.68 -4.22 1.08 -0.00 -1.26 -4.99 117.00 107.35 1nin n LEU 64 Ca 0.26 -3.24 -0.43 0.00 -0.00 0.00 0.00 56.01 52.60 1nin n LEU 64 Cb 0.64 0.11 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 1nin n LEU 64 CO 0.17 1.78 1.87 -0.11 -0.00 0.00 0.00 177.39 181.09 1nin n LEU 65 N -0.89 5.79 -2.75 1.47 0.00 -1.26 -4.70 117.00 114.65 1nin n LEU 65 Ca -0.09 -4.34 -0.32 0.00 0.00 0.00 0.00 56.01 51.25 1nin n LEU 65 Cb 0.84 -1.62 0.01 0.00 0.00 0.00 0.00 43.42 42.66 1nin n LEU 65 CO -0.11 0.83 0.74 0.80 0.00 0.00 0.00 177.39 179.66 1nin n MET 66 N 5.83 3.31 -3.09 1.96 1.56 -1.26 -2.15 117.12 123.29 1nin n MET 66 Ca 0.43 -4.21 -0.40 0.00 -0.27 0.00 0.00 57.70 53.25 1nin n MET 66 Cb 0.41 -2.27 -0.01 0.00 2.15 0.00 0.00 33.22 33.50 1nin n MET 66 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1nin n SER 67 N -0.45 5.90 -3.96 6.12 2.88 -1.26 -5.01 113.62 117.84 1nin n SER 67 Ca 0.44 -3.43 -0.13 0.00 -1.33 0.00 0.00 58.87 54.42 1nin n SER 67 Cb 0.46 -1.15 -0.05 0.00 -0.75 0.00 0.00 64.21 62.73 1nin n SER 67 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1nin n PRO 68 N 1.20 0.01 0.00 -1.46 -0.04 -1.26 -1.04 135.00 132.41 1nin n PRO 68 Ca 0.27 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1nin n PRO 68 Cb 0.35 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 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 4.47 1.11 3.82 0.55 0.00 -1.24 -5.05 105.19 108.84 1nin n GLY 69 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1nin n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nin s GLN 70 N -0.05 3.05 0.21 1.61 -0.44 -0.21 -4.87 119.66 118.97 1nin s GLN 70 Ca 0.00 -0.65 0.11 0.00 -2.50 0.00 0.00 55.36 52.31 1nin s GLN 70 Cb 0.00 -2.80 -0.04 0.00 -1.64 0.00 0.00 33.01 28.52 1nin s GLN 70 CO 0.00 0.56 -0.19 -1.54 0.50 0.00 0.00 175.29 174.62 1nin s SER 71 N -2.59 3.71 0.15 6.67 1.04 -1.26 -3.56 113.70 117.86 1nin s SER 71 Ca 0.31 -0.83 0.09 0.00 0.48 0.00 0.00 55.95 56.00 1nin s SER 71 Cb -0.12 -0.40 -0.04 0.00 0.10 0.00 0.00 66.02 65.56 1nin s SER 71 CO 0.24 0.09 -0.16 0.28 0.98 0.00 0.00 173.24 174.67 1nin s THR 72 N -1.91 2.89 -0.38 2.02 -1.32 -0.09 -4.93 115.64 111.93 1nin s THR 72 Ca 0.24 -1.62 -0.10 0.00 -1.21 0.00 0.00 61.69 59.00 1nin s THR 72 Cb -0.07 -2.37 0.05 0.00 -1.51 0.00 0.00 72.50 68.59 1nin s THR 72 CO 0.13 0.00 0.20 -0.55 -2.21 0.00 0.00 174.62 172.19 1nin s SER 73 N -2.44 5.62 -0.16 8.08 0.15 -1.26 -0.89 113.70 122.81 1nin s SER 73 Ca 0.21 -1.18 -0.03 0.00 0.70 0.00 0.00 55.95 55.64 1nin s SER 73 Cb -0.10 -1.98 -0.02 0.00 -1.71 0.00 0.00 66.02 62.21 1nin s SER 73 CO 0.12 -0.42 -0.05 -0.89 1.20 0.00 0.00 173.24 173.19 1nin s THR 74 N 1.48 3.72 0.12 6.45 2.01 -0.01 -4.97 115.64 124.44 1nin s THR 74 Ca 0.01 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.67 1nin s THR 74 Cb -0.20 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1nin s THR 74 CO 0.05 0.49 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.48 1nin s THR 75 N 0.44 3.32 -0.76 -0.82 2.01 -1.26 -0.70 115.64 117.88 1nin s THR 75 Ca -0.05 -1.37 -0.04 0.00 0.31 0.00 0.00 61.69 60.54 1nin s THR 75 Cb -0.15 -2.58 0.19 0.00 0.01 0.00 0.00 72.50 69.98 1nin s THR 75 CO 0.03 0.05 0.62 -0.36 -0.69 0.00 0.00 174.62 174.27 1nin s PHE 76 N -1.34 3.63 0.00 4.92 0.40 -0.24 -4.94 117.98 120.41 1nin s PHE 76 Ca 0.22 -2.70 0.00 0.00 -0.60 0.00 0.00 56.93 53.85 1nin s PHE 76 Cb -0.10 -3.33 0.00 0.00 0.51 0.00 0.00 43.02 40.10 1nin s PHE 76 CO 0.14 -0.83 0.00 -0.35 0.70 0.00 0.00 175.22 174.88 1nin n PRO 77 N 3.17 0.00 -0.74 0.24 -0.05 -1.26 -3.89 135.00 132.48 1nin n PRO 77 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.59 1nin n PRO 77 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.84 1nin n PRO 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1nin n ALA 78 N -3.00 -0.42 0.00 0.55 0.00 -1.26 -2.45 120.51 113.93 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 0.31 0.00 -4.93 0.00 8.00 -1.26 -4.81 116.55 113.86 1nin n ASP 79 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1nin n ASP 79 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1nin n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nin s ALA 80 N 0.00 3.44 0.73 2.24 0.00 -1.03 -5.13 121.76 122.01 1nin s ALA 80 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1nin s ALA 80 Cb 0.00 -2.46 0.13 0.00 0.00 0.00 0.00 23.12 20.79 1nin s ALA 80 CO 0.00 -0.72 1.00 -1.25 0.00 0.00 0.00 175.76 174.80 1nin s PRO 81 N -4.88 1.64 0.66 0.00 0.04 -1.26 -5.04 135.00 126.16 1nin s PRO 81 Ca 0.53 -1.12 -0.04 0.00 0.04 0.00 0.00 61.00 60.41 1nin s PRO 81 Cb -0.10 -2.32 0.06 0.00 0.04 0.00 0.00 34.50 32.17 1nin s PRO 81 CO 0.43 -1.48 0.95 0.00 0.04 0.00 0.00 177.00 176.93 1nin s ALA 82 N -3.16 3.38 0.00 8.56 0.00 -1.26 -4.75 121.76 124.53 1nin s ALA 82 Ca 0.67 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1nin s ALA 82 Cb -0.05 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.64 1nin s ALA 82 CO 0.45 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1nin n GLY 83 N -2.76 -0.08 3.69 0.00 0.00 -0.21 -4.75 105.19 101.09 1nin n GLY 83 Ca 0.08 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.46 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 0.00 4.18 -0.08 1.61 2.02 -1.26 -0.06 118.70 125.11 1nin s GLU 84 Ca 0.00 0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.09 1nin s GLU 84 Cb 0.00 -3.50 -0.02 0.00 0.10 0.00 0.00 34.13 30.71 1nin s GLU 84 CO 0.00 0.07 -0.16 0.71 0.02 0.00 0.00 175.26 175.90 1nin s TYR 85 N 0.98 2.69 0.04 1.61 2.02 0.01 -3.69 117.35 121.01 1nin s TYR 85 Ca 0.16 -0.45 0.05 0.00 -0.37 0.00 0.00 57.07 56.45 1nin s TYR 85 Cb -0.14 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 1nin s TYR 85 CO 0.06 -0.04 -0.08 0.99 -1.57 0.00 0.00 175.55 174.91 1nin s THR 86 N -0.21 3.54 -0.20 -0.71 2.01 -1.26 -1.09 115.64 117.72 1nin s THR 86 Ca -0.00 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1nin s THR 86 Cb -0.13 -2.58 0.02 0.00 0.01 0.00 0.00 72.50 69.82 1nin s THR 86 CO 0.03 0.30 -0.15 0.72 -0.69 0.00 0.00 174.62 174.82 1nin s PHE 87 N -1.07 2.87 -0.11 4.92 -0.71 0.34 0.28 117.98 124.50 1nin s PHE 87 Ca 0.19 -1.55 0.03 0.00 -1.04 0.00 0.00 56.93 54.55 1nin s PHE 87 Cb -0.11 -1.97 -0.01 0.00 -1.21 0.00 0.00 43.02 39.73 1nin s PHE 87 CO 0.10 -0.76 -0.20 1.52 -1.34 0.00 0.00 175.22 174.54 1nin s TYR 88 N 1.32 2.64 -1.26 3.49 1.13 0.52 -0.67 117.35 124.52 1nin s TYR 88 Ca 0.04 -0.88 -0.18 0.00 -1.41 0.00 0.00 57.07 54.64 1nin s TYR 88 Cb -0.14 -1.75 0.08 0.00 -1.10 0.00 0.00 41.96 39.05 1nin s TYR 88 CO -0.10 -0.33 1.67 0.00 -2.51 0.00 0.00 175.55 174.29 1nin n GLU 90 N 8.16 0.00 0.00 0.00 1.02 -1.09 -0.12 120.64 128.61 1nin n GLU 90 Ca 0.46 0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.63 1nin n GLU 90 Cb 0.46 -0.02 0.08 0.00 -0.02 0.00 0.00 31.44 31.94 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 -1.75 0.00 -0.07 3.49 -0.04 -1.26 -2.83 135.00 132.54 1nin n PRO 91 Ca 0.00 0.42 -0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1nin n PRO 91 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -1.49 0.00 0.00 0.54 8.25 0.83 -4.75 115.22 118.60 1nin n HIS 92 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1nin n HIS 92 Cb 0.04 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.59 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 -3.13 0.00 -0.19 -0.41 0.00 0.52 -0.89 116.66 112.56 1nin n ARG 93 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.58 1nin n ARG 93 Cb 0.76 0.00 0.03 0.00 0.00 0.00 0.00 32.46 33.25 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 -0.88 -0.98 3.19 5.14 0.00 -1.26 -0.75 105.19 109.66 1nin n GLY 94 Ca 0.00 0.54 -0.44 0.00 0.00 0.00 0.00 46.02 46.13 1nin n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nin n ALA 95 N -3.76 4.61 -1.25 4.61 0.00 -0.07 -4.88 120.51 119.77 1nin n ALA 95 Ca 0.05 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.77 1nin n ALA 95 Cb 0.20 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 2.09 0.00 2.48 0.00 0.00 0.07 -4.79 105.19 105.04 1nin n GLY 96 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1nin n GLY 96 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nin n MET 97 N -0.40 3.82 -5.27 1.61 0.00 -1.22 -4.82 117.12 110.84 1nin n MET 97 Ca 0.00 -2.75 -0.31 0.00 -0.00 0.00 0.00 57.70 54.63 1nin n MET 97 Cb 0.00 -2.84 -0.16 0.00 0.00 0.00 0.00 33.22 30.22 1nin n MET 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1nin s VAL 98 N 1.20 2.04 0.18 1.12 0.11 -1.26 -2.11 120.40 121.67 1nin s VAL 98 Ca 0.59 -1.07 0.06 0.00 -2.93 0.00 0.00 61.98 58.63 1nin s VAL 98 Cb 0.17 -1.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.26 1nin s VAL 98 CO -0.07 0.57 -0.12 -0.83 -3.33 0.00 0.00 175.10 171.32 1nin s GLY 99 N -0.26 1.27 -0.05 6.54 0.00 0.16 -4.86 107.32 110.11 1nin s GLY 99 Ca -0.01 -1.59 0.02 0.00 0.00 0.00 0.00 44.72 43.14 1nin s GLY 99 CO 0.03 -1.68 -0.10 0.54 0.00 0.00 0.00 173.10 171.89 1nin s LYS 100 N -3.70 1.36 -0.06 2.90 1.02 0.45 -0.50 119.74 121.21 1nin s LYS 100 Ca 0.20 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.90 1nin s LYS 100 Cb 0.01 -1.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.11 1nin s LYS 100 CO 0.04 0.01 -0.11 -1.50 -0.92 0.00 0.00 175.35 172.87 1nin s ILE 101 N 0.66 3.32 -0.31 2.17 2.07 -0.25 -0.59 121.20 128.26 1nin s ILE 101 Ca -0.12 -0.62 -0.05 0.00 -1.41 0.00 0.00 60.65 58.44 1nin s ILE 101 Cb -0.15 -2.33 0.03 0.00 0.13 0.00 0.00 42.46 40.15 1nin s ILE 101 CO 0.02 0.59 0.06 -0.89 -1.91 0.00 0.00 174.94 172.81 1nin s THR 102 N -0.71 3.60 0.21 4.00 2.01 0.78 -0.81 115.64 124.72 1nin s THR 102 Ca 0.11 -1.02 -0.29 0.00 0.31 0.00 0.00 61.69 60.79 1nin s THR 102 Cb -0.11 -2.96 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 1nin s THR 102 CO 0.01 -0.04 0.91 -0.69 -0.69 0.00 0.00 174.62 174.12 1nin s VAL 103 N 1.40 4.16 0.00 3.82 1.01 0.92 -0.62 120.40 131.09 1nin s VAL 103 Ca -0.01 2.02 0.00 0.00 0.00 0.00 0.00 61.98 63.99 1nin s VAL 103 Cb -0.18 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.90 1nin s VAL 103 CO 0.01 0.49 0.00 0.00 0.00 0.00 0.00 175.10 175.60 1nin n ALA 104 N 1.64 0.00 -0.60 5.51 0.00 -0.07 -1.04 120.51 125.95 1nin n ALA 104 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1nin n ALA 104 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91