#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nin n THR 2 N 0.00 0.00 -2.23 6.31 5.66 0.27 -4.53 114.28 119.76 1nin n THR 2 Ca 0.00 -0.29 -0.41 0.00 -3.05 0.00 0.00 64.05 60.30 1nin n THR 2 Cb 0.00 -0.95 -0.03 0.00 -1.55 0.00 0.00 70.33 67.80 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 8.19 3.24 -0.68 1.09 2.02 -1.23 -4.30 117.35 125.69 1nin s TYR 3 Ca 0.47 1.39 -0.23 0.00 -0.37 0.00 0.00 57.07 58.33 1nin s TYR 3 Cb -0.08 -3.57 0.07 0.00 -0.40 0.00 0.00 41.96 37.98 1nin s TYR 3 CO 0.12 -1.61 1.01 0.95 -1.57 0.00 0.00 175.55 174.45 1nin s THR 4 N -0.64 4.24 -0.00 -0.71 -4.23 -1.26 -0.42 115.64 112.62 1nin s THR 4 Ca 0.51 -0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.59 1nin s THR 4 Cb -0.37 -4.72 -0.06 0.00 1.34 0.00 0.00 72.50 68.69 1nin s THR 4 CO 0.45 -1.52 0.42 -0.69 -0.54 0.00 0.00 174.62 172.73 1nin s VAL 5 N 4.28 5.02 -0.03 2.29 1.01 0.24 -4.94 120.40 128.27 1nin s VAL 5 Ca 0.24 0.85 0.06 0.00 0.00 0.00 0.00 61.98 63.14 1nin s VAL 5 Cb -0.15 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1nin s VAL 5 CO 0.10 0.57 -0.21 -0.54 0.00 0.00 0.00 175.10 175.03 1nin s LYS 6 N -1.01 2.27 -0.01 2.72 1.02 -1.26 -0.33 119.74 123.14 1nin s LYS 6 Ca 0.24 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.45 1nin s LYS 6 Cb -0.17 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 1nin s LYS 6 CO 0.13 0.59 -0.16 -0.48 -0.92 0.00 0.00 175.35 174.51 1nin s LEU 7 N -0.69 2.05 0.00 3.17 0.05 -0.13 -4.52 118.68 118.60 1nin s LEU 7 Ca 0.11 -0.31 0.00 0.00 0.05 0.00 0.00 54.13 53.98 1nin s LEU 7 Cb -0.10 -0.83 0.00 0.00 -2.05 0.00 0.00 46.19 43.21 1nin s LEU 7 CO -0.00 0.19 0.00 0.61 -0.55 0.00 0.00 176.35 176.60 1nin n GLY 8 N 2.60 0.73 3.34 -3.48 0.00 -1.26 -1.04 105.19 106.09 1nin n GLY 8 Ca -0.15 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 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 -6.56 0.00 1.61 2.88 0.17 -0.48 113.62 111.23 1nin n SER 9 Ca 0.00 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 1nin n SER 9 Cb 0.00 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 58.98 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 -2.55 0.00 -2.37 -3.46 2.03 -1.25 -4.32 116.55 104.63 1nin n ASP 10 Ca -0.07 0.19 -0.29 0.00 0.52 0.00 0.00 54.79 55.13 1nin n ASP 10 Cb 0.58 -0.29 0.03 0.00 -0.72 0.00 0.00 41.12 40.72 1nin n ASP 10 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1nin n LYS 11 N -1.61 2.40 0.00 -0.67 4.76 -1.26 -4.86 118.16 116.92 1nin n LYS 11 Ca 0.00 -2.66 0.00 0.00 -2.87 0.00 0.00 58.31 52.78 1nin n LYS 11 Cb 0.00 -2.07 0.00 0.00 -1.84 0.00 0.00 35.03 31.12 1nin n LYS 11 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nin n GLY 12 N -0.08 2.21 3.77 0.72 0.00 -1.26 -5.12 105.19 105.43 1nin n GLY 12 Ca 0.49 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1nin n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1nin s LEU 13 N 0.00 3.24 -1.33 0.99 0.05 -1.26 -4.59 118.68 115.77 1nin s LEU 13 Ca 0.00 -0.88 -0.07 0.00 0.05 0.00 0.00 54.13 53.23 1nin s LEU 13 Cb 0.00 -1.70 0.12 0.00 -2.05 0.00 0.00 46.19 42.56 1nin s LEU 13 CO 0.00 -0.47 2.29 0.00 -0.55 0.00 0.00 176.35 177.61 1nin n LEU 14 N -1.27 7.72 0.00 1.48 -0.00 -1.26 0.43 117.00 124.10 1nin n LEU 14 Ca -0.01 -4.79 -0.25 0.00 -0.00 0.00 0.00 56.01 50.97 1nin n LEU 14 Cb 0.63 -1.41 -0.02 0.00 -0.00 0.00 0.00 43.42 42.62 1nin n LEU 14 CO 0.44 1.87 -0.02 0.52 -0.00 0.00 0.00 177.39 180.20 1nin n VAL 15 N 2.30 0.00 -3.69 1.47 0.31 -1.26 -4.47 118.33 112.99 1nin n VAL 15 Ca 0.57 -1.96 -0.38 0.00 -0.01 0.00 0.00 64.34 62.56 1nin n VAL 15 Cb 0.28 0.07 -0.10 0.00 -0.91 0.00 0.00 33.84 33.17 1nin n VAL 15 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1nin s PHE 16 N -2.45 3.48 0.13 3.52 0.40 -1.13 -3.99 117.98 117.95 1nin s PHE 16 Ca 0.19 -2.09 0.03 0.00 -0.60 0.00 0.00 56.93 54.46 1nin s PHE 16 Cb -0.01 -3.20 -0.04 0.00 0.51 0.00 0.00 43.02 40.28 1nin s PHE 16 CO 0.12 -0.95 0.22 -1.83 0.70 0.00 0.00 175.22 173.48 1nin s GLU 17 N 1.26 3.26 -1.26 0.44 -1.05 -1.26 -1.39 118.70 118.69 1nin s GLU 17 Ca 0.06 -0.65 -0.18 0.00 -0.15 0.00 0.00 54.97 54.05 1nin s GLU 17 Cb -0.24 -2.88 0.08 0.00 -0.44 0.00 0.00 34.13 30.66 1nin s GLU 17 CO -0.02 0.53 1.67 -1.25 0.95 0.00 0.00 175.26 177.13 1nin s PRO 18 N -3.03 3.97 0.00 -4.83 0.04 -1.26 -4.67 135.00 125.23 1nin s PRO 18 Ca 0.33 -2.02 0.00 0.00 0.04 0.00 0.00 61.00 59.35 1nin s PRO 18 Cb -0.11 -5.45 0.00 0.00 0.04 0.00 0.00 34.50 28.98 1nin s PRO 18 CO 0.27 -2.18 0.00 0.00 0.04 0.00 0.00 177.00 175.13 1nin n ALA 19 N 8.00 0.00 -3.58 8.56 0.00 -0.48 -3.70 120.51 129.31 1nin n ALA 19 Ca 0.46 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.51 1nin n ALA 19 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 1nin n ALA 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1nin s LYS 20 N 0.00 3.19 -0.22 0.00 2.47 -1.26 -0.33 119.74 123.60 1nin s LYS 20 Ca 0.00 -2.88 -0.14 0.00 -1.56 0.00 0.00 55.97 51.39 1nin s LYS 20 Cb 0.00 -4.03 -0.04 0.00 -1.46 0.00 0.00 37.83 32.30 1nin s LYS 20 CO 0.00 -1.24 0.33 -1.17 0.16 0.00 0.00 175.35 173.43 1nin s LEU 21 N -0.65 4.13 -0.73 5.43 0.20 0.08 -4.92 118.68 122.23 1nin s LEU 21 Ca 0.23 0.38 -0.07 0.00 0.69 0.00 0.00 54.13 55.36 1nin s LEU 21 Cb -0.12 -2.39 0.19 0.00 -0.43 0.00 0.00 46.19 43.43 1nin s LEU 21 CO -0.08 -0.05 0.60 -0.89 -0.29 0.00 0.00 176.35 175.64 1nin s THR 22 N 1.31 4.45 0.00 3.68 2.01 -1.26 -0.32 115.64 125.52 1nin s THR 22 Ca 0.15 -2.91 0.00 0.00 0.31 0.00 0.00 61.69 59.24 1nin s THR 22 Cb -0.14 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.55 1nin s THR 22 CO 0.07 -0.96 0.00 2.30 -0.69 0.00 0.00 174.62 175.35 1nin n ILE 23 N 3.50 0.00 -1.68 1.82 -5.35 -1.25 -4.98 119.36 111.42 1nin n ILE 23 Ca 0.12 0.00 -0.47 0.00 -0.27 0.00 0.00 62.75 62.12 1nin n ILE 23 Cb 0.41 -0.15 -0.04 0.00 -1.74 0.00 0.00 39.64 38.11 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 0.00 2.24 -1.53 6.28 5.02 -1.26 -4.77 118.16 124.14 1nin n LYS 24 Ca 0.00 0.82 -0.32 0.00 -2.02 0.00 0.00 58.31 56.79 1nin n LYS 24 Cb 0.00 -2.67 0.02 0.00 -0.02 0.00 0.00 35.03 32.36 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 6.29 2.49 -0.46 1.97 -0.04 -1.25 0.06 135.00 144.06 1nin n PRO 25 Ca 0.22 -2.83 0.00 0.00 -0.04 0.00 0.00 63.50 60.85 1nin n PRO 25 Cb 0.30 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 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 -0.02 0.98 3.84 0.55 0.00 -1.26 -5.01 105.19 104.26 1nin n GLY 26 Ca 0.51 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.17 5.15 -0.04 1.61 2.15 -1.26 -4.86 116.67 117.25 1nin s ASP 27 Ca 0.00 -0.58 -0.15 0.00 0.43 0.00 0.00 52.55 52.25 1nin s ASP 27 Cb 0.00 -0.87 -0.05 0.00 -0.30 0.00 0.00 42.92 41.70 1nin s ASP 27 CO 0.00 -0.39 0.39 -0.89 -0.17 0.00 0.00 175.17 174.11 1nin s THR 28 N -2.35 5.11 0.03 1.71 2.01 -1.26 -4.03 115.64 116.85 1nin s THR 28 Ca 0.41 0.78 0.06 0.00 0.31 0.00 0.00 61.69 63.26 1nin s THR 28 Cb -0.05 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1nin s THR 28 CO 0.26 0.53 -0.18 0.54 -0.69 0.00 0.00 174.62 175.09 1nin s VAL 29 N -0.72 1.40 -0.15 3.82 0.11 -0.37 0.97 120.40 125.46 1nin s VAL 29 Ca 0.23 -1.01 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1nin s VAL 29 Cb -0.16 -1.22 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 1nin s VAL 29 CO 0.11 0.19 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.24 1nin s GLU 30 N -0.96 3.33 -0.29 1.54 2.56 0.43 -1.43 118.70 123.88 1nin s GLU 30 Ca 0.05 -0.70 -0.06 0.00 0.00 0.00 0.00 54.97 54.27 1nin s GLU 30 Cb -0.08 -2.68 0.01 0.00 2.00 0.00 0.00 34.13 33.39 1nin s GLU 30 CO 0.01 0.10 0.06 -0.06 -0.56 0.00 0.00 175.26 174.81 1nin s PHE 31 N 0.64 3.15 -0.20 5.30 0.08 -0.19 -0.59 117.98 126.15 1nin s PHE 31 Ca -0.07 -1.09 -0.06 0.00 0.12 0.00 0.00 56.93 55.84 1nin s PHE 31 Cb -0.15 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 1nin s PHE 31 CO 0.03 -0.61 0.01 -1.17 -0.10 0.00 0.00 175.22 173.38 1nin s LEU 32 N 1.47 3.36 -0.19 -0.37 2.96 0.55 -0.73 118.68 125.72 1nin s LEU 32 Ca 0.02 -0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.48 1nin s LEU 32 Cb -0.17 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1nin s LEU 32 CO 0.02 0.08 1.03 0.20 -1.32 0.00 0.00 176.35 176.35 1nin s ASN 33 N 0.93 7.15 0.00 3.68 -0.87 -1.10 -0.96 114.94 123.77 1nin s ASN 33 Ca 0.02 1.43 0.00 0.00 -1.57 0.00 0.00 52.86 52.74 1nin s ASN 33 Cb -0.14 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.54 1nin s ASN 33 CO 0.02 -0.60 0.00 -3.20 -2.57 0.00 0.00 177.10 170.75 1nin n ASN 34 N 5.89 0.00 -2.28 -1.22 5.15 -0.20 -0.96 115.26 121.65 1nin n ASN 34 Ca 0.11 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.06 1nin n ASN 34 Cb 0.47 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.72 1nin n ASN 34 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1nin n LYS 35 N -0.03 1.64 -1.34 1.20 5.02 0.36 -4.57 118.16 120.44 1nin n LYS 35 Ca 0.00 -0.36 -0.05 0.00 -2.02 0.00 0.00 58.31 55.88 1nin n LYS 35 Cb 0.00 0.07 0.01 0.00 -0.02 0.00 0.00 35.03 35.08 1nin n LYS 35 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nin n VAL 36 N -0.38 -0.52 -1.58 -0.18 0.31 -1.26 -4.64 118.33 110.07 1nin n VAL 36 Ca -0.01 0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1nin n VAL 36 Cb 0.06 -0.48 0.18 0.00 -0.91 0.00 0.00 33.84 32.70 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 -0.34 0.30 0.16 5.55 0.04 -1.26 -4.80 135.00 134.66 1nin s PRO 37 Ca 0.05 -0.10 -0.03 0.00 0.04 0.00 0.00 61.00 60.97 1nin s PRO 37 Cb -0.01 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 1nin s PRO 37 CO 0.12 -2.69 0.36 -1.25 0.04 0.00 0.00 177.00 173.58 1nin s PRO 38 N -5.57 3.56 -0.68 0.56 0.04 -1.26 -5.03 135.00 126.62 1nin s PRO 38 Ca 0.70 -0.23 0.04 0.00 0.04 0.00 0.00 61.00 61.54 1nin s PRO 38 Cb -0.09 -2.86 0.17 0.00 0.04 0.00 0.00 34.50 31.75 1nin s PRO 38 CO 0.54 0.45 0.47 -1.01 0.04 0.00 0.00 177.00 177.49 1nin s HIS 39 N -1.73 3.51 0.18 0.56 3.76 0.39 -4.60 115.29 117.35 1nin s HIS 39 Ca 0.39 -3.25 0.06 0.00 -0.15 0.00 0.00 55.06 52.12 1nin s HIS 39 Cb -0.12 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 1nin s HIS 39 CO 0.27 -0.62 0.11 1.21 -0.85 0.00 0.00 174.74 174.85 1nin s ASN 40 N -0.96 5.33 -0.25 1.40 3.84 -1.26 -4.64 114.94 118.41 1nin s ASN 40 Ca 0.23 -0.21 -0.03 0.00 0.21 0.00 0.00 52.86 53.07 1nin s ASN 40 Cb -0.10 -1.33 0.02 0.00 -0.55 0.00 0.00 41.25 39.28 1nin s ASN 40 CO -0.12 0.06 -0.04 0.68 -2.79 0.00 0.00 177.10 174.90 1nin s VAL 41 N -1.79 3.07 -0.15 -5.21 -7.23 -1.26 -3.82 120.40 104.01 1nin s VAL 41 Ca 0.30 -0.92 -0.08 0.00 -1.81 0.00 0.00 61.98 59.47 1nin s VAL 41 Cb -0.10 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1nin s VAL 41 CO 0.22 0.21 0.14 -0.69 -0.31 0.00 0.00 175.10 174.67 1nin s VAL 42 N 1.37 5.47 0.30 1.32 1.01 0.40 -1.34 120.40 128.93 1nin s VAL 42 Ca 0.01 0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 1nin s VAL 42 Cb -0.16 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1nin s VAL 42 CO -0.03 0.56 0.62 -0.36 0.00 0.00 0.00 175.10 175.89 1nin s PHE 43 N -0.57 3.45 0.21 5.22 0.40 -1.23 -0.75 117.98 124.71 1nin s PHE 43 Ca 0.13 0.88 -0.11 0.00 -0.60 0.00 0.00 56.93 57.23 1nin s PHE 43 Cb -0.12 -2.28 -0.07 0.00 0.51 0.00 0.00 43.02 41.06 1nin s PHE 43 CO 0.02 0.13 0.55 0.34 0.70 0.00 0.00 175.22 176.96 1nin s ASP 44 N -2.80 6.67 0.00 1.36 2.15 0.65 -4.30 116.67 120.40 1nin s ASP 44 Ca 0.48 0.96 0.06 0.00 0.43 0.00 0.00 52.55 54.48 1nin s ASP 44 Cb -0.11 -2.24 0.07 0.00 -0.30 0.00 0.00 42.92 40.34 1nin s ASP 44 CO 0.26 -0.04 0.76 0.00 -0.17 0.00 0.00 175.17 175.98 1nin n ALA 45 N 0.05 2.44 -0.10 3.66 0.00 -1.26 -4.22 120.51 121.07 1nin n ALA 45 Ca -0.01 -0.62 -0.20 0.00 0.00 0.00 0.00 53.44 52.61 1nin n ALA 45 Cb 0.52 -0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 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 0.32 1.38 -1.32 0.00 0.00 -1.26 -4.74 120.51 114.88 1nin n ALA 46 Ca 0.04 -0.87 -0.34 0.00 0.00 0.00 0.00 53.44 52.27 1nin n ALA 46 Cb 0.18 0.15 0.09 0.00 0.00 0.00 0.00 19.45 19.87 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 -4.15 7.63 -4.36 0.00 4.77 -1.26 -5.01 117.00 114.62 1nin n LEU 47 Ca -0.36 -4.23 -0.29 0.00 -0.03 0.00 0.00 56.01 51.11 1nin n LEU 47 Cb 0.71 -0.97 -0.14 0.00 -2.33 0.00 0.00 43.42 40.69 1nin n LEU 47 CO 0.07 1.43 -0.56 0.54 -1.33 0.00 0.00 177.39 177.54 1nin s ASN 48 N -1.78 3.17 0.09 -1.43 2.20 -1.25 -4.46 114.94 111.48 1nin s ASN 48 Ca 0.64 -0.68 -0.22 0.00 -0.94 0.00 0.00 52.86 51.66 1nin s ASN 48 Cb 0.51 -0.24 -0.12 0.00 -2.00 0.00 0.00 41.25 39.40 1nin s ASN 48 CO 0.00 0.20 1.72 1.55 -2.94 0.00 0.00 177.10 177.63 1nin h PRO 49 N 4.25 0.11 -1.50 3.55 0.13 -1.89 -2.26 132.00 134.39 1nin h PRO 49 Ca -0.49 -0.01 -0.43 0.00 -0.87 0.00 0.00 66.00 64.20 1nin h PRO 49 Cb 1.16 -0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.09 1nin h PRO 49 CO 0.41 0.11 0.52 0.00 -0.23 0.00 0.00 178.00 178.81 1nin n ALA 50 N -2.13 5.61 -1.30 -0.56 0.00 -1.26 -4.91 120.51 115.96 1nin n ALA 50 Ca -0.06 -2.30 0.00 0.00 0.00 0.00 0.00 53.44 51.08 1nin n ALA 50 Cb 0.05 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 0.15 -0.38 -3.04 0.00 3.00 -0.85 -4.85 118.16 112.19 1nin n LYS 51 Ca 0.40 -0.18 -0.23 0.00 -0.00 0.00 0.00 58.31 58.30 1nin n LYS 51 Cb 0.58 0.32 0.01 0.00 0.00 0.00 0.00 35.03 35.93 1nin n LYS 51 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1nin s SER 52 N -1.74 5.94 0.05 3.14 1.04 -1.26 -5.00 113.70 115.87 1nin s SER 52 Ca 0.00 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1nin s SER 52 Cb 0.00 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1nin s SER 52 CO 0.00 -0.62 0.00 0.00 0.98 0.00 0.00 173.24 173.60 1nin n ALA 53 N -2.03 3.00 -0.09 5.32 0.00 -1.26 -4.32 120.51 121.13 1nin n ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nin n ALA 53 Cb 0.57 0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.39 1nin n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nin n ASP 54 N -3.22 0.00 0.36 0.00 5.75 -1.26 -1.00 116.55 117.18 1nin n ASP 54 Ca 0.00 0.96 -0.17 0.00 -0.01 0.00 0.00 54.79 55.57 1nin n ASP 54 Cb 0.26 -0.46 -0.09 0.00 -1.03 0.00 0.00 41.12 39.81 1nin n ASP 54 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1nin h LEU 55 N 0.00 -1.09 -0.35 -2.12 7.12 -1.96 0.17 115.31 117.08 1nin h LEU 55 Ca 0.00 0.06 0.06 0.00 0.13 0.00 0.00 57.88 58.13 1nin h LEU 55 Cb 0.00 0.32 -0.06 0.00 -0.53 0.00 0.00 40.66 40.39 1nin h LEU 55 CO 0.00 -0.65 -0.12 0.00 -0.13 0.00 0.00 178.44 177.54 1nin n ALA 56 N -2.65 0.01 -0.02 1.25 0.00 -1.06 0.11 120.51 118.14 1nin n ALA 56 Ca -0.13 0.37 -0.18 0.00 0.00 0.00 0.00 53.44 53.50 1nin n ALA 56 Cb 0.43 -0.19 -0.14 0.00 0.00 0.00 0.00 19.45 19.56 1nin n ALA 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nin n LYS 57 N -4.54 0.72 -0.33 0.00 4.76 -0.17 -3.45 118.16 115.15 1nin n LYS 57 Ca 0.04 0.25 0.24 0.00 -2.87 0.00 0.00 58.31 55.97 1nin n LYS 57 Cb 0.16 -1.70 0.46 0.00 -1.84 0.00 0.00 35.03 32.11 1nin n LYS 57 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1nin h SER 58 N 0.05 0.33 0.96 4.39 0.87 0.27 0.34 113.55 120.76 1nin h SER 58 Ca -0.42 0.22 -0.18 0.00 -1.23 0.00 0.00 61.79 60.18 1nin h SER 58 Cb 2.03 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 64.17 1nin h SER 58 CO 0.07 -0.23 -0.87 -0.07 -0.53 0.00 0.00 176.83 175.19 1nin h LEU 59 N 0.21 0.00 -7.20 2.23 3.38 -1.35 -3.43 115.31 109.14 1nin h LEU 59 Ca 0.73 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.59 1nin h LEU 59 Cb 1.71 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.48 1nin h LEU 59 CO -0.68 0.87 0.59 -1.20 0.09 0.00 0.00 178.44 178.12 1nin n SER 60 N -3.43 -0.17 0.00 -0.43 7.64 0.12 -4.56 113.62 112.78 1nin n SER 60 Ca -0.00 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.78 1nin n SER 60 Cb 0.85 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1nin n SER 60 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1nin n HIS 61 N 4.44 0.00 -3.72 1.43 8.25 -0.45 -4.70 115.22 120.47 1nin n HIS 61 Ca 0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.46 1nin n HIS 61 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 0.00 0.68 0.00 -0.41 4.76 -1.26 -5.02 118.16 116.91 1nin n LYS 62 Ca 0.00 -1.79 0.10 0.00 -2.87 0.00 0.00 58.31 53.76 1nin n LYS 62 Cb 0.00 1.97 0.03 0.00 -1.84 0.00 0.00 35.03 35.19 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 -0.40 1.60 -3.54 1.97 3.00 -1.26 -4.25 117.38 114.50 1nin n GLN 63 Ca -0.03 -1.23 -0.28 0.00 -0.01 0.00 0.00 57.00 55.45 1nin n GLN 63 Cb 0.42 -1.40 -0.11 0.00 0.00 0.00 0.00 30.24 29.15 1nin n GLN 63 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 1nin s LEU 64 N -2.12 2.23 -0.62 1.08 2.34 -1.26 -4.46 118.68 115.86 1nin s LEU 64 Ca 0.19 -3.10 -0.05 0.00 0.06 0.00 0.00 54.13 51.24 1nin s LEU 64 Cb 0.17 -0.75 0.16 0.00 -0.56 0.00 0.00 46.19 45.21 1nin s LEU 64 CO 0.42 -0.18 0.46 -0.22 -1.06 0.00 0.00 176.35 175.77 1nin s LEU 65 N -0.13 5.49 -0.74 1.48 1.98 -1.26 -4.94 118.68 120.56 1nin s LEU 65 Ca 0.28 -2.68 0.03 0.00 -2.89 0.00 0.00 54.13 48.87 1nin s LEU 65 Cb -0.04 -1.91 0.32 0.00 0.66 0.00 0.00 46.19 45.22 1nin s LEU 65 CO -0.15 -0.44 1.21 0.80 -1.89 0.00 0.00 176.35 175.88 1nin n MET 66 N 3.77 3.88 -2.93 1.98 0.00 -1.26 -0.47 117.12 122.10 1nin n MET 66 Ca 0.06 -4.78 -0.39 0.00 -0.00 0.00 0.00 57.70 52.60 1nin n MET 66 Cb 0.40 -2.32 -0.00 0.00 0.00 0.00 0.00 33.22 31.29 1nin n MET 66 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1nin n SER 67 N -0.01 6.21 -4.54 6.12 3.41 -1.26 -5.04 113.62 118.51 1nin n SER 67 Ca 0.35 -3.54 -0.18 0.00 -0.26 0.00 0.00 58.87 55.25 1nin n SER 67 Cb 0.35 -1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 63.11 1nin n SER 67 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1nin n PRO 68 N 0.63 0.45 0.00 4.33 -0.04 -1.26 -0.41 135.00 138.71 1nin n PRO 68 Ca 0.34 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1nin n PRO 68 Cb 0.32 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 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 6.44 0.91 3.38 0.55 0.00 -0.13 -5.01 105.19 111.33 1nin n GLY 69 Ca 0.52 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.35 1.60 0.41 1.61 0.74 0.45 -4.94 119.66 119.18 1nin s GLN 70 Ca 0.00 -1.24 0.07 0.00 0.05 0.00 0.00 55.36 54.25 1nin s GLN 70 Cb 0.00 -1.95 -0.06 0.00 1.10 0.00 0.00 33.01 32.10 1nin s GLN 70 CO 0.00 0.48 0.13 -1.54 -0.55 0.00 0.00 175.29 173.81 1nin s SER 71 N -1.72 4.27 -0.06 6.67 1.04 -1.26 -2.70 113.70 119.94 1nin s SER 71 Ca 0.13 -1.15 0.04 0.00 0.48 0.00 0.00 55.95 55.45 1nin s SER 71 Cb -0.10 -0.46 -0.02 0.00 0.10 0.00 0.00 66.02 65.54 1nin s SER 71 CO 0.05 -0.51 -0.18 0.28 0.98 0.00 0.00 173.24 173.86 1nin s THR 72 N -2.63 2.72 0.08 2.02 -1.32 0.09 -4.96 115.64 111.65 1nin s THR 72 Ca 0.39 -0.84 0.09 0.00 -1.21 0.00 0.00 61.69 60.12 1nin s THR 72 Cb 0.05 -2.05 -0.04 0.00 -1.51 0.00 0.00 72.50 68.96 1nin s THR 72 CO 0.21 0.57 -0.21 -0.55 -2.21 0.00 0.00 174.62 172.43 1nin s SER 73 N -0.42 3.62 -0.11 8.08 0.15 -1.26 -1.03 113.70 122.73 1nin s SER 73 Ca 0.04 -0.56 -0.05 0.00 0.70 0.00 0.00 55.95 56.08 1nin s SER 73 Cb -0.12 -0.45 0.05 0.00 -1.71 0.00 0.00 66.02 63.79 1nin s SER 73 CO 0.02 0.22 0.25 0.28 1.20 0.00 0.00 173.24 175.20 1nin s THR 74 N -1.00 -0.21 -0.39 6.45 -1.32 -0.52 -4.99 115.64 113.66 1nin s THR 74 Ca 0.15 0.22 0.05 0.00 -1.21 0.00 0.00 61.69 60.90 1nin s THR 74 Cb -0.10 -0.40 0.46 0.00 -1.51 0.00 0.00 72.50 70.95 1nin s THR 74 CO 0.06 0.09 1.45 1.07 -2.21 0.00 0.00 174.62 175.08 1nin n THR 75 N 4.78 2.82 0.00 5.08 5.66 -1.26 -1.24 114.28 130.12 1nin n THR 75 Ca -0.16 -3.68 0.00 0.00 -3.05 0.00 0.00 64.05 57.16 1nin n THR 75 Cb 0.51 -1.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.27 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 -0.83 0.00 0.00 1.09 3.72 -1.26 -4.40 117.46 115.79 1nin n PHE 76 Ca 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.87 1nin n PHE 76 Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 1nin n PHE 76 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1nin n PRO 77 N 0.00 0.00 0.00 -1.08 -0.02 -1.26 -4.25 135.00 128.39 1nin n PRO 77 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1nin n PRO 77 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 33.50 33.25 1nin n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nin n ALA 78 N -1.38 0.00 0.00 3.55 0.00 -1.26 -2.45 120.51 118.97 1nin n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nin n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nin n ALA 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nin n ASP 79 N 0.00 0.00 -4.10 0.00 8.00 -1.26 -4.78 116.55 114.42 1nin n ASP 79 Ca 0.00 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.06 1nin n ASP 79 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1nin n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nin n ALA 80 N 0.00 4.91 -1.91 2.24 0.00 -1.02 -5.06 120.51 119.68 1nin n ALA 80 Ca 0.00 -4.73 -0.29 0.00 0.00 0.00 0.00 53.44 48.43 1nin n ALA 80 Cb 0.00 -2.44 0.08 0.00 0.00 0.00 0.00 19.45 17.09 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 -2.09 2.21 0.00 0.00 0.04 -1.26 -4.82 135.00 129.08 1nin s PRO 81 Ca 0.32 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1nin s PRO 81 Cb 0.01 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1nin s PRO 81 CO 0.05 -1.40 0.00 0.00 0.04 0.00 0.00 177.00 175.68 1nin n ALA 82 N -3.18 0.00 0.00 8.56 0.00 -0.36 -4.69 120.51 120.84 1nin n ALA 82 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1nin n ALA 82 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 -2.10 2.57 0.00 0.00 0.36 -4.74 105.19 101.28 1nin n GLY 83 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.19 0.00 -2.92 1.61 -0.58 -1.09 -0.68 120.64 115.80 1nin n GLU 84 Ca 0.00 -0.07 -0.40 0.00 -0.42 0.00 0.00 57.16 56.27 1nin n GLU 84 Cb 0.00 -1.15 -0.05 0.00 -0.57 0.00 0.00 31.44 29.67 1nin n GLU 84 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1nin s TYR 85 N 1.95 3.83 -0.04 -0.32 1.51 0.15 -3.84 117.35 120.59 1nin s TYR 85 Ca 0.00 1.63 -0.02 0.00 -1.01 0.00 0.00 57.07 57.67 1nin s TYR 85 Cb 0.00 -2.86 -0.04 0.00 -0.11 0.00 0.00 41.96 38.96 1nin s TYR 85 CO 0.00 0.36 0.07 0.99 -1.11 0.00 0.00 175.55 175.86 1nin s THR 86 N -0.53 4.71 -0.27 -0.71 2.01 -1.26 -0.29 115.64 119.30 1nin s THR 86 Ca 0.39 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1nin s THR 86 Cb -0.22 -3.09 0.06 0.00 0.01 0.00 0.00 72.50 69.25 1nin s THR 86 CO 0.26 0.46 -0.07 0.72 -0.69 0.00 0.00 174.62 175.31 1nin s PHE 87 N -1.08 3.26 0.27 4.92 -0.71 0.17 -0.25 117.98 124.57 1nin s PHE 87 Ca 0.19 -2.14 0.12 0.00 -1.04 0.00 0.00 56.93 54.06 1nin s PHE 87 Cb -0.12 -2.00 -0.05 0.00 -1.21 0.00 0.00 43.02 39.64 1nin s PHE 87 CO 0.09 -0.85 -0.17 1.52 -1.34 0.00 0.00 175.22 174.47 1nin s TYR 88 N 1.16 2.35 -1.14 3.49 1.13 0.07 -0.75 117.35 123.66 1nin s TYR 88 Ca -0.07 -0.32 -0.08 0.00 -1.41 0.00 0.00 57.07 55.19 1nin s TYR 88 Cb -0.20 -1.03 0.26 0.00 -1.10 0.00 0.00 41.96 39.89 1nin s TYR 88 CO -0.04 0.70 1.37 0.00 -2.51 0.00 0.00 175.55 175.07 1nin n GLU 90 N 2.94 -0.08 -0.33 0.00 1.02 -1.26 0.17 120.64 123.10 1nin n GLU 90 Ca 0.29 0.88 0.11 0.00 -0.02 0.00 0.00 57.16 58.42 1nin n GLU 90 Cb 0.38 -1.31 0.24 0.00 -0.02 0.00 0.00 31.44 30.72 1nin n GLU 90 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1nin h PRO 91 N 0.00 0.03 -1.02 3.49 0.13 -1.89 -3.07 132.00 129.67 1nin h PRO 91 Ca 0.24 -0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.73 1nin h PRO 91 Cb 0.39 -0.01 -0.34 0.00 0.13 0.00 0.00 31.00 31.17 1nin h PRO 91 CO -0.58 0.02 0.27 0.72 -0.23 0.00 0.00 178.00 178.20 1nin n HIS 92 N -5.49 3.07 -1.59 1.56 8.25 0.46 -5.03 115.22 116.45 1nin n HIS 92 Ca 0.20 -2.72 -0.31 0.00 -0.26 0.00 0.00 57.72 54.63 1nin n HIS 92 Cb 0.66 -1.02 0.05 0.00 1.12 0.00 0.00 29.99 30.80 1nin n HIS 92 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1nin s ARG 93 N -3.76 2.83 0.00 -0.41 1.04 -0.98 -3.88 118.95 113.78 1nin s ARG 93 Ca 0.59 0.87 0.00 0.00 -1.04 0.00 0.00 55.73 56.15 1nin s ARG 93 Cb 0.47 -1.98 0.00 0.00 -2.04 0.00 0.00 34.95 31.39 1nin s ARG 93 CO -0.03 -1.15 0.00 0.41 -0.04 0.00 0.00 175.30 174.48 1nin n GLY 94 N -2.09 2.28 2.61 3.88 0.00 -1.26 -4.84 105.19 105.78 1nin n GLY 94 Ca 0.07 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 5.95 -1.44 4.61 0.00 -1.25 -4.74 120.51 123.64 1nin n ALA 95 Ca 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 53.44 49.85 1nin n ALA 95 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 19.45 15.99 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 3.94 -0.09 2.83 0.00 0.00 -1.26 -4.61 105.19 106.00 1nin n GLY 96 Ca 0.60 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.83 2.86 -4.03 1.61 0.00 -1.26 -2.85 117.12 112.62 1nin n MET 97 Ca 0.01 -3.67 -0.31 0.00 0.00 0.00 0.00 57.70 53.73 1nin n MET 97 Cb 0.10 -2.27 -0.15 0.00 0.00 0.00 0.00 33.22 30.90 1nin n MET 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1nin s VAL 98 N -5.14 2.23 0.28 1.12 -7.23 -1.26 -0.56 120.40 109.84 1nin s VAL 98 Ca 0.52 -2.18 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 1nin s VAL 98 Cb 0.44 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.73 1nin s VAL 98 CO -0.37 -0.47 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.06 1nin s GLY 99 N 0.96 1.84 0.05 2.32 0.00 0.07 -4.89 107.32 107.67 1nin s GLY 99 Ca 0.07 -1.91 -0.01 0.00 0.00 0.00 0.00 44.72 42.87 1nin s GLY 99 CO -0.08 -1.84 -0.03 -1.59 0.00 0.00 0.00 173.10 169.56 1nin s LYS 100 N -3.73 0.59 -0.02 2.90 -2.85 0.55 0.45 119.74 117.63 1nin s LYS 100 Ca 0.30 -1.15 0.01 0.00 -1.00 0.00 0.00 55.97 54.13 1nin s LYS 100 Cb 0.04 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 1nin s LYS 100 CO 0.12 -0.10 -0.03 -1.50 0.10 0.00 0.00 175.35 173.94 1nin s ILE 101 N -3.59 3.95 -0.66 3.79 2.07 0.60 -0.74 121.20 126.63 1nin s ILE 101 Ca 0.04 -0.58 -0.04 0.00 -1.41 0.00 0.00 60.65 58.66 1nin s ILE 101 Cb 0.06 -2.71 0.17 0.00 0.13 0.00 0.00 42.46 40.11 1nin s ILE 101 CO -0.09 0.45 0.49 -0.89 -1.91 0.00 0.00 174.94 172.99 1nin s THR 102 N -0.98 3.98 0.66 4.00 2.01 0.56 0.34 115.64 126.22 1nin s THR 102 Ca 0.17 -2.90 -0.05 0.00 0.31 0.00 0.00 61.69 59.21 1nin s THR 102 Cb -0.11 -3.57 0.05 0.00 0.01 0.00 0.00 72.50 68.87 1nin s THR 102 CO 0.07 -0.90 0.96 0.54 -0.69 0.00 0.00 174.62 174.60 1nin s VAL 103 N -0.05 2.59 -0.03 3.82 0.11 0.15 -3.83 120.40 123.16 1nin s VAL 103 Ca 0.17 -0.27 0.08 0.00 -2.93 0.00 0.00 61.98 59.03 1nin s VAL 103 Cb -0.19 -3.09 -0.02 0.00 -1.53 0.00 0.00 36.38 31.56 1nin s VAL 103 CO -0.04 -0.09 -0.26 0.00 -3.33 0.00 0.00 175.10 171.38 1nin s ALA 104 N -3.14 2.16 0.00 1.54 0.00 0.11 0.13 121.76 122.57 1nin s ALA 104 Ca 0.59 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1nin s ALA 104 Cb -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1nin s ALA 104 CO 0.44 0.51 0.00 0.41 0.00 0.00 0.00 175.76 177.12