#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptl n ASN 2 N 0.00 0.00 -1.75 1.62 4.13 -1.26 -4.76 115.26 113.24 2ptl n ASN 2 Ca 0.00 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.17 2ptl n ASN 2 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 2ptl n ASN 2 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2ptl n LYS 3 N 0.00 -1.69 0.02 3.52 4.76 -1.26 -4.67 118.16 118.85 2ptl n LYS 3 Ca 0.00 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2ptl n LYS 3 Cb 0.00 -4.85 0.00 0.00 -1.84 0.00 0.00 35.03 28.34 2ptl n LYS 3 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2ptl n GLU 4 N -2.07 0.00 0.00 1.97 4.07 -1.26 -5.12 120.64 118.23 2ptl n GLU 4 Ca -0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 2ptl n GLU 4 Cb 0.42 -0.17 0.00 0.00 -0.06 0.00 0.00 31.44 31.63 2ptl n GLU 4 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2ptl n GLU 5 N -2.87 0.00 0.00 5.31 -0.58 -1.26 -5.12 120.64 116.12 2ptl n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2ptl n GLU 5 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2ptl n GLU 5 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2ptl n THR 6 N 0.00 0.00 -2.01 2.62 -2.24 -1.26 -5.11 114.28 106.28 2ptl n THR 6 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2ptl n THR 6 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 2ptl n THR 6 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2ptl s PRO 7 N 0.00 4.21 0.59 -0.78 0.04 -1.26 -4.83 135.00 132.97 2ptl s PRO 7 Ca 0.00 2.23 0.31 0.00 0.04 0.00 0.00 61.00 63.57 2ptl s PRO 7 Cb 0.00 -3.66 1.32 0.00 0.04 0.00 0.00 34.50 32.20 2ptl s PRO 7 CO 0.00 -0.72 1.65 1.05 0.04 0.00 0.00 177.00 179.02 2ptl h GLU 8 N 8.41 0.00 -4.45 4.56 4.11 -2.04 -3.16 114.58 122.02 2ptl h GLU 8 Ca -0.41 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.38 2ptl h GLU 8 Cb 1.19 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.05 2ptl h GLU 8 CO 0.93 0.00 -0.74 0.95 0.07 0.00 0.00 179.01 180.22 2ptl s THR 9 N -4.62 1.94 -0.06 -1.06 -4.23 -1.26 -5.08 115.64 101.27 2ptl s THR 9 Ca -0.04 -2.05 -0.32 0.00 -1.18 0.00 0.00 61.69 58.10 2ptl s THR 9 Cb 0.17 -2.40 -0.10 0.00 1.34 0.00 0.00 72.50 71.51 2ptl s THR 9 CO 0.58 -0.55 1.96 -2.65 -0.54 0.00 0.00 174.62 173.42 2ptl n PRO 10 N 4.41 2.39 -1.55 3.99 -0.02 -1.20 -4.81 135.00 138.21 2ptl n PRO 10 Ca 0.01 0.86 -0.17 0.00 -2.02 0.00 0.00 63.50 62.18 2ptl n PRO 10 Cb 0.42 -2.82 -0.08 0.00 -0.02 0.00 0.00 33.50 31.00 2ptl n PRO 10 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2ptl n GLU 11 N 7.22 0.57 -2.49 -0.52 0.28 -1.26 -4.89 120.64 119.55 2ptl n GLU 11 Ca 0.23 -0.67 -0.41 0.00 -0.16 0.00 0.00 57.16 56.14 2ptl n GLU 11 Cb 0.35 -3.45 -0.04 0.00 1.43 0.00 0.00 31.44 29.73 2ptl n GLU 11 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2ptl s THR 12 N 13.39 3.83 -1.15 3.84 -4.23 -1.26 -2.84 115.64 127.23 2ptl s THR 12 Ca 0.97 1.56 0.00 0.00 -1.18 0.00 0.00 61.69 63.04 2ptl s THR 12 Cb -0.20 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.64 2ptl s THR 12 CO 0.15 0.26 0.00 -0.67 -0.54 0.00 0.00 174.62 173.81 2ptl n ASP 13 N 2.45 -3.65 0.00 3.99 2.03 -1.26 -2.88 116.55 117.24 2ptl n ASP 13 Ca 0.03 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.58 2ptl n ASP 13 Cb 0.46 -3.22 0.00 0.00 -0.72 0.00 0.00 41.12 37.64 2ptl n ASP 13 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2ptl n SER 14 N -1.27 0.00 0.00 1.67 7.64 -1.13 -4.46 113.62 116.07 2ptl n SER 14 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2ptl n SER 14 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2ptl n SER 14 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ptl n GLU 15 N 0.00 0.00 -1.02 1.43 -0.58 -1.14 -4.73 120.64 114.60 2ptl n GLU 15 Ca 0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 2ptl n GLU 15 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 2ptl n GLU 15 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2ptl n GLU 16 N 0.00 -2.06 0.00 3.49 -0.58 -1.26 -4.63 120.64 115.59 2ptl n GLU 16 Ca 0.00 1.36 0.00 0.00 -0.42 0.00 0.00 57.16 58.10 2ptl n GLU 16 Cb 0.00 -2.52 0.00 0.00 -0.57 0.00 0.00 31.44 28.35 2ptl n GLU 16 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2ptl n GLU 17 N -3.45 0.00 0.00 3.49 2.13 -1.22 -4.99 120.64 116.60 2ptl n GLU 17 Ca 0.01 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.19 2ptl n GLU 17 Cb 0.47 -1.01 0.00 0.00 0.27 0.00 0.00 31.44 31.17 2ptl n GLU 17 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2ptl n VAL 18 N -1.60 0.00 -3.44 6.31 0.31 -1.26 -4.98 118.33 113.67 2ptl n VAL 18 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2ptl n VAL 18 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 2ptl n VAL 18 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2ptl s THR 19 N 2.79 0.00 -0.05 2.52 -1.32 -1.26 -3.92 115.64 114.39 2ptl s THR 19 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 2ptl s THR 19 Cb 0.00 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.06 2ptl s THR 19 CO 0.00 0.00 0.67 -0.51 -2.21 0.00 0.00 174.62 172.57 2ptl s ILE 20 N -3.46 0.00 0.05 5.08 2.07 -1.26 -4.85 121.20 118.83 2ptl s ILE 20 Ca 0.00 -0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 2ptl s ILE 20 Cb -0.01 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 2ptl s ILE 20 CO -0.11 -0.01 -0.08 -0.75 -1.91 0.00 0.00 174.94 172.08 2ptl s LYS 21 N -1.19 0.55 -0.20 3.50 2.20 -1.10 -2.63 119.74 120.88 2ptl s LYS 21 Ca -0.11 -0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 54.67 2ptl s LYS 21 Cb -0.00 -0.31 0.10 0.00 -1.51 0.00 0.00 37.83 36.11 2ptl s LYS 21 CO 0.10 0.05 0.30 0.00 -0.36 0.00 0.00 175.35 175.44 2ptl s ALA 22 N -1.47 -0.66 0.91 3.13 0.00 -0.59 -2.13 121.76 120.95 2ptl s ALA 22 Ca -0.09 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 52.52 2ptl s ALA 22 Cb -0.09 -1.36 0.13 0.00 0.00 0.00 0.00 23.12 21.80 2ptl s ALA 22 CO 0.00 -1.05 0.78 0.09 0.00 0.00 0.00 175.76 175.59 2ptl n ASN 23 N 5.35 0.23 -2.96 0.00 3.02 -0.61 -0.56 115.26 119.73 2ptl n ASN 23 Ca -0.05 -1.39 -0.14 0.00 -0.03 0.00 0.00 54.58 52.97 2ptl n ASN 23 Cb 0.50 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 2ptl n ASN 23 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ptl n LEU 24 N 0.00 -1.85 -4.70 3.41 4.77 0.30 -3.80 117.00 115.14 2ptl n LEU 24 Ca 0.10 -3.76 -0.42 0.00 -0.03 0.00 0.00 56.01 51.91 2ptl n LEU 24 Cb 0.36 0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 42.15 2ptl n LEU 24 CO 0.26 1.99 0.65 -0.63 -1.33 0.00 0.00 177.39 178.33 2ptl s ILE 25 N 0.12 4.88 0.31 -0.08 1.09 -0.72 -2.01 121.20 124.79 2ptl s ILE 25 Ca 0.33 1.85 0.08 0.00 -1.10 0.00 0.00 60.65 61.81 2ptl s ILE 25 Cb 0.15 -4.23 -0.04 0.00 -1.06 0.00 0.00 42.46 37.28 2ptl s ILE 25 CO -0.17 0.10 0.12 -0.36 -0.10 0.00 0.00 174.94 174.53 2ptl s PHE 26 N 1.50 2.75 -0.98 3.97 0.08 -1.26 -0.98 117.98 123.05 2ptl s PHE 26 Ca 0.45 -0.31 0.27 0.00 0.12 0.00 0.00 56.93 57.46 2ptl s PHE 26 Cb -0.19 -1.51 0.94 0.00 -0.57 0.00 0.00 43.02 41.69 2ptl s PHE 26 CO 0.20 0.42 1.72 0.00 -0.10 0.00 0.00 175.22 177.46 2ptl n ALA 27 N -1.10 2.79 -1.26 5.36 0.00 -1.25 -4.58 120.51 120.46 2ptl n ALA 27 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2ptl n ALA 27 Cb 0.60 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2ptl n ALA 27 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2ptl n ASN 28 N -1.53 0.00 -1.13 0.00 6.94 -1.26 -5.00 115.26 113.27 2ptl n ASN 28 Ca 0.06 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.58 2ptl n ASN 28 Cb 0.34 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.74 2ptl n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ptl n GLY 29 N 3.47 0.37 2.36 4.83 0.00 -1.26 -5.02 105.19 109.94 2ptl n GLY 29 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 2ptl n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ptl n SER 30 N -0.21 2.26 -4.81 1.61 7.64 -1.26 -5.09 113.62 113.75 2ptl n SER 30 Ca -0.18 -3.15 -0.34 0.00 1.01 0.00 0.00 58.87 56.22 2ptl n SER 30 Cb 0.60 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 63.09 2ptl n SER 30 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ptl s THR 31 N -2.15 4.28 -0.22 0.44 -4.23 -1.26 -4.44 115.64 108.06 2ptl s THR 31 Ca 0.39 1.46 -0.24 0.00 -1.18 0.00 0.00 61.69 62.12 2ptl s THR 31 Cb 0.18 -3.61 0.07 0.00 1.34 0.00 0.00 72.50 70.47 2ptl s THR 31 CO -0.06 -0.26 0.67 -1.58 -0.54 0.00 0.00 174.62 172.84 2ptl s GLN 32 N -3.08 0.82 0.21 3.99 0.74 -0.85 -5.00 119.66 116.49 2ptl s GLN 32 Ca 0.62 0.83 0.05 0.00 0.05 0.00 0.00 55.36 56.90 2ptl s GLN 32 Cb -0.11 0.40 -0.03 0.00 1.10 0.00 0.00 33.01 34.36 2ptl s GLN 32 CO 0.15 -0.13 0.26 -0.08 -0.55 0.00 0.00 175.29 174.94 2ptl s THR 33 N 0.12 4.91 0.16 -0.34 -1.32 -1.26 0.11 115.64 118.02 2ptl s THR 33 Ca -0.02 -1.05 -0.01 0.00 -1.21 0.00 0.00 61.69 59.40 2ptl s THR 33 Cb -0.04 -3.60 -0.04 0.00 -1.51 0.00 0.00 72.50 67.30 2ptl s THR 33 CO 0.02 -0.24 0.08 0.00 -2.21 0.00 0.00 174.62 172.27 2ptl s ALA 34 N -1.93 1.02 -0.28 11.08 0.00 0.27 -4.88 121.76 127.05 2ptl s ALA 34 Ca 0.33 -1.57 -0.20 0.00 0.00 0.00 0.00 51.96 50.52 2ptl s ALA 34 Cb -0.09 1.05 0.09 0.00 0.00 0.00 0.00 23.12 24.16 2ptl s ALA 34 CO 0.27 -0.52 0.77 -1.83 0.00 0.00 0.00 175.76 174.45 2ptl s GLU 35 N -4.08 0.70 -0.53 0.00 1.03 -1.26 -1.54 118.70 113.02 2ptl s GLU 35 Ca 0.30 1.02 0.04 0.00 0.03 0.00 0.00 54.97 56.35 2ptl s GLU 35 Cb 0.07 0.24 0.15 0.00 -0.80 0.00 0.00 34.13 33.80 2ptl s GLU 35 CO 0.06 -0.11 0.35 -0.06 -1.33 0.00 0.00 175.26 174.16 2ptl s PHE 36 N 1.01 2.41 0.24 4.83 0.40 -1.08 -5.01 117.98 120.77 2ptl s PHE 36 Ca -0.05 -2.77 -0.30 0.00 -0.60 0.00 0.00 56.93 53.22 2ptl s PHE 36 Cb -0.05 -2.02 -0.09 0.00 0.51 0.00 0.00 43.02 41.37 2ptl s PHE 36 CO -0.10 -0.71 0.96 0.15 0.70 0.00 0.00 175.22 176.22 2ptl s LYS 37 N -0.36 4.83 0.00 0.44 3.01 -1.26 -4.21 119.74 122.18 2ptl s LYS 37 Ca 0.23 1.53 0.00 0.00 -1.01 0.00 0.00 55.97 56.72 2ptl s LYS 37 Cb -0.12 -3.27 0.00 0.00 -1.01 0.00 0.00 37.83 33.43 2ptl s LYS 37 CO -0.10 0.47 0.00 0.41 0.51 0.00 0.00 175.35 176.64 2ptl n GLY 38 N 1.48 1.76 3.12 -3.33 0.00 -1.25 -4.94 105.19 102.02 2ptl n GLY 38 Ca -0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 2ptl n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ptl s THR 39 N 0.00 0.86 0.00 2.61 2.01 -1.26 -3.45 115.64 116.40 2ptl s THR 39 Ca 0.00 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 60.83 2ptl s THR 39 Cb 0.00 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.65 2ptl s THR 39 CO 0.00 -0.27 0.12 0.33 -0.69 0.00 0.00 174.62 174.10 2ptl n PHE 40 N 1.42 0.00 0.19 4.92 -0.00 -1.26 -4.22 117.46 118.51 2ptl n PHE 40 Ca -0.22 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.35 2ptl n PHE 40 Cb 0.54 -0.01 -0.07 0.00 -0.00 0.00 0.00 39.48 39.95 2ptl n PHE 40 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2ptl n GLU 41 N -0.52 0.53 0.28 -4.13 0.00 -1.26 -3.83 120.64 111.71 2ptl n GLU 41 Ca 0.00 -0.04 0.14 0.00 0.00 0.00 0.00 57.16 57.26 2ptl n GLU 41 Cb 0.00 -1.64 0.86 0.00 0.00 0.00 0.00 31.44 30.67 2ptl n GLU 41 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2ptl h LYS 42 N 0.00 0.00 0.00 5.31 3.64 -2.00 0.37 116.57 123.89 2ptl h LYS 42 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 2ptl h LYS 42 Cb 0.92 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 2ptl h LYS 42 CO 0.00 0.00 -0.94 0.00 -2.27 0.00 0.00 179.45 176.24 2ptl h ALA 43 N 1.97 0.44 -0.80 5.00 0.00 -1.73 -2.53 119.26 121.61 2ptl h ALA 43 Ca 0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 2ptl h ALA 43 Cb 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2ptl h ALA 43 CO -0.00 1.17 0.42 1.15 0.00 0.00 0.00 179.25 181.99 2ptl h THR 44 N 0.00 1.24 0.14 0.00 2.02 -0.41 0.21 112.91 116.12 2ptl h THR 44 Ca -0.01 -0.62 -0.29 0.00 0.77 0.00 0.00 66.41 66.26 2ptl h THR 44 Cb 1.67 0.17 0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2ptl h THR 44 CO 0.12 0.27 -1.26 0.28 0.37 0.00 0.00 175.52 175.30 2ptl h SER 45 N 1.12 0.67 0.67 4.18 0.02 -1.45 -1.37 113.55 117.39 2ptl h SER 45 Ca 0.28 -0.66 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 2ptl h SER 45 Cb 0.05 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 2ptl h SER 45 CO -0.04 1.50 -0.13 -0.08 -1.14 0.00 0.00 176.83 176.94 2ptl h GLU 46 N 0.17 0.00 0.25 3.45 4.81 -1.14 -0.10 114.58 122.03 2ptl h GLU 46 Ca -0.17 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.72 2ptl h GLU 46 Cb 1.95 0.00 0.04 0.00 0.63 0.00 0.00 28.75 31.37 2ptl h GLU 46 CO 0.23 0.13 -1.52 0.00 -0.73 0.00 0.00 179.01 177.12 2ptl h ALA 47 N 1.87 -0.13 -0.01 2.92 0.00 -0.48 -1.03 119.26 122.40 2ptl h ALA 47 Ca -0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 54.91 53.98 2ptl h ALA 47 Cb 0.49 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2ptl h ALA 47 CO 0.02 0.73 -0.18 -0.92 0.00 0.00 0.00 179.25 178.90 2ptl h TYR 48 N 0.14 0.02 0.00 0.00 5.03 -0.59 0.18 116.97 121.75 2ptl h TYR 48 Ca -0.27 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.04 2ptl h TYR 48 Cb 2.17 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 40.44 2ptl h TYR 48 CO 0.13 0.20 -0.15 0.00 -1.32 0.00 0.00 178.16 177.01 2ptl h ALA 49 N 1.80 0.93 0.01 1.82 0.00 -0.98 -2.41 119.26 120.43 2ptl h ALA 49 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ptl h ALA 49 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ptl h ALA 49 CO 0.02 0.01 -0.00 -0.92 0.00 0.00 0.00 179.25 178.36 2ptl h TYR 50 N 0.00 -0.01 0.00 0.00 3.20 0.71 -1.40 116.97 119.47 2ptl h TYR 50 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2ptl h TYR 50 Cb 1.01 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2ptl h TYR 50 CO 0.00 0.55 -0.25 0.00 -1.64 0.00 0.00 178.16 176.82 2ptl h ALA 51 N 0.41 0.94 0.11 1.82 0.00 -1.39 -3.28 119.26 117.86 2ptl h ALA 51 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2ptl h ALA 51 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ptl h ALA 51 CO 0.00 0.32 -0.05 0.22 0.00 0.00 0.00 179.25 179.74 2ptl h ASP 52 N 0.00 -0.12 -0.35 0.00 3.58 -1.40 -3.20 116.42 114.92 2ptl h ASP 52 Ca -0.00 -0.35 0.10 0.00 0.42 0.00 0.00 57.03 57.20 2ptl h ASP 52 Cb 0.90 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 2ptl h ASP 52 CO 0.03 0.50 0.72 0.00 -2.88 0.00 0.00 179.24 177.61 2ptl h THR 53 N -0.96 0.10 0.35 2.25 1.03 -1.33 -1.19 112.91 113.15 2ptl h THR 53 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.38 2ptl h THR 53 Cb 0.46 0.36 -0.02 0.00 -1.07 0.00 0.00 68.15 67.88 2ptl h THR 53 CO 0.02 0.00 -0.43 -0.07 -0.01 0.00 0.00 175.52 175.03 2ptl h LEU 54 N 0.00 -1.21 -1.32 0.00 3.38 -1.61 -3.43 115.31 111.11 2ptl h LEU 54 Ca 0.17 0.10 -0.22 0.00 0.09 0.00 0.00 57.88 58.02 2ptl h LEU 54 Cb 1.61 0.41 -0.12 0.00 0.09 0.00 0.00 40.66 42.65 2ptl h LEU 54 CO -0.00 -0.54 -0.33 2.29 0.09 0.00 0.00 178.44 179.95 2ptl n LYS 55 N -5.00 -0.92 0.00 1.13 -0.00 -0.45 -4.77 118.16 108.15 2ptl n LYS 55 Ca -0.09 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 2ptl n LYS 55 Cb 0.38 -1.56 0.00 0.00 -0.00 0.00 0.00 35.03 33.85 2ptl n LYS 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2ptl n LYS 56 N -1.89 0.00 -0.60 -1.58 4.76 -1.26 -4.82 118.16 112.77 2ptl n LYS 56 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2ptl n LYS 56 Cb 0.18 -0.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 2ptl n LYS 56 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2ptl n ASP 57 N -0.37 0.07 0.00 4.39 8.00 -1.26 -4.94 116.55 122.44 2ptl n ASP 57 Ca 0.00 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.66 2ptl n ASP 57 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 2ptl n ASP 57 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ptl n ASN 58 N 0.05 0.00 0.00 -2.24 3.02 -1.26 -4.81 115.26 110.02 2ptl n ASN 58 Ca -0.00 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 2ptl n ASN 58 Cb 0.71 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 2ptl n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ptl n GLY 59 N 2.00 1.61 0.00 7.41 0.00 -1.26 -2.95 105.19 111.99 2ptl n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ptl n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ptl n GLU 60 N 0.00 0.00 -4.05 1.61 1.02 -1.26 -4.72 120.64 113.24 2ptl n GLU 60 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2ptl n GLU 60 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2ptl n GLU 60 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2ptl s TYR 61 N -1.72 0.95 -0.19 -0.32 1.13 -1.26 -2.36 117.35 113.58 2ptl s TYR 61 Ca 0.00 -1.24 0.01 0.00 -1.41 0.00 0.00 57.07 54.43 2ptl s TYR 61 Cb 0.00 0.03 0.04 0.00 -1.10 0.00 0.00 41.96 40.93 2ptl s TYR 61 CO 0.00 -1.20 -0.13 -0.08 -2.51 0.00 0.00 175.55 171.63 2ptl s THR 62 N -2.94 1.75 0.15 -3.49 -1.32 -1.14 -4.90 115.64 103.76 2ptl s THR 62 Ca 0.29 -0.96 -0.30 0.00 -1.21 0.00 0.00 61.69 59.50 2ptl s THR 62 Cb -0.01 -1.74 -0.07 0.00 -1.51 0.00 0.00 72.50 69.17 2ptl s THR 62 CO 0.19 0.29 0.98 0.54 -2.21 0.00 0.00 174.62 174.41 2ptl s VAL 63 N 1.37 4.29 0.05 5.08 0.11 -1.26 -2.75 120.40 127.29 2ptl s VAL 63 Ca 0.01 2.01 -0.18 0.00 -2.93 0.00 0.00 61.98 60.88 2ptl s VAL 63 Cb -0.15 -4.28 -0.06 0.00 -1.53 0.00 0.00 36.38 30.35 2ptl s VAL 63 CO -0.09 0.36 0.53 -1.81 -3.33 0.00 0.00 175.10 170.76 2ptl s ASP 64 N -0.32 7.00 -0.40 3.54 1.11 -0.36 -4.87 116.67 122.37 2ptl s ASP 64 Ca 0.46 1.19 -0.13 0.00 0.18 0.00 0.00 52.55 54.25 2ptl s ASP 64 Cb -0.25 -2.33 0.03 0.00 1.07 0.00 0.00 42.92 41.44 2ptl s ASP 64 CO 0.31 0.28 0.27 -0.69 1.18 0.00 0.00 175.17 176.52 2ptl s VAL 65 N -1.05 4.93 0.31 -1.27 1.01 -1.26 -2.85 120.40 120.22 2ptl s VAL 65 Ca 0.28 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.50 2ptl s VAL 65 Cb -0.19 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 2ptl s VAL 65 CO 0.18 -0.31 0.31 0.00 0.00 0.00 0.00 175.10 175.28 2ptl n ALA 66 N 5.09 0.41 -4.03 5.51 0.00 -0.70 -4.81 120.51 121.97 2ptl n ALA 66 Ca -0.11 -1.74 -0.27 0.00 0.00 0.00 0.00 53.44 51.32 2ptl n ALA 66 Cb 0.46 1.41 -0.03 0.00 0.00 0.00 0.00 19.45 21.29 2ptl n ALA 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ptl n ASP 67 N -1.74 -0.53 -3.45 0.00 2.03 -1.26 -1.73 116.55 109.85 2ptl n ASP 67 Ca 0.06 -1.04 -0.23 0.00 0.52 0.00 0.00 54.79 54.10 2ptl n ASP 67 Cb 0.56 -2.85 0.01 0.00 -0.72 0.00 0.00 41.12 38.13 2ptl n ASP 67 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2ptl n LYS 68 N -4.42 -1.76 -3.51 -0.67 2.85 -1.26 -0.86 118.16 108.53 2ptl n LYS 68 Ca -0.27 1.29 -0.23 0.00 -1.05 0.00 0.00 58.31 58.06 2ptl n LYS 68 Cb 0.66 -3.25 -0.04 0.00 -0.65 0.00 0.00 35.03 31.75 2ptl n LYS 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ptl n GLY 69 N -1.00 -0.42 0.00 2.58 0.00 -1.01 -4.65 105.19 100.69 2ptl n GLY 69 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2ptl n GLY 69 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ptl n TYR 70 N -3.21 0.00 -3.88 1.61 9.36 -0.04 -4.95 117.16 116.05 2ptl n TYR 70 Ca 0.06 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.93 2ptl n TYR 70 Cb 0.45 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 39.02 2ptl n TYR 70 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2ptl s THR 71 N -1.98 3.27 -0.19 2.97 2.01 -0.71 -2.69 115.64 118.32 2ptl s THR 71 Ca 0.00 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 2ptl s THR 71 Cb 0.00 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.83 2ptl s THR 71 CO 0.00 0.13 -0.14 -1.48 -0.69 0.00 0.00 174.62 172.44 2ptl s LEU 72 N 1.38 2.45 -0.47 4.42 2.34 -0.90 -1.73 118.68 126.16 2ptl s LEU 72 Ca 0.01 -0.53 -0.18 0.00 0.06 0.00 0.00 54.13 53.48 2ptl s LEU 72 Cb -0.17 -1.58 0.05 0.00 -0.56 0.00 0.00 46.19 43.93 2ptl s LEU 72 CO -0.02 0.01 0.54 0.20 -1.06 0.00 0.00 176.35 176.03 2ptl s ASN 73 N 1.26 6.21 0.42 1.48 0.02 -1.13 -1.57 114.94 121.63 2ptl s ASN 73 Ca 0.03 -0.87 -0.21 0.00 -1.02 0.00 0.00 52.86 50.79 2ptl s ASN 73 Cb -0.14 -2.26 -0.11 0.00 0.02 0.00 0.00 41.25 38.77 2ptl s ASN 73 CO -0.07 -0.77 0.96 -0.63 0.02 0.00 0.00 177.10 176.61 2ptl s ILE 74 N 2.37 4.31 -0.35 0.60 1.01 -1.25 -1.22 121.20 126.67 2ptl s ILE 74 Ca 0.13 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.27 2ptl s ILE 74 Cb -0.19 -3.63 0.14 0.00 0.01 0.00 0.00 42.46 38.79 2ptl s ILE 74 CO 0.12 -0.26 0.23 -0.54 0.00 0.00 0.00 174.94 174.49 2ptl s LYS 75 N -3.06 0.52 0.42 2.79 -0.14 -1.11 -1.76 119.74 117.40 2ptl s LYS 75 Ca 0.61 -1.17 -0.25 0.00 -1.36 0.00 0.00 55.97 53.80 2ptl s LYS 75 Cb -0.11 -1.19 -0.08 0.00 -1.68 0.00 0.00 37.83 34.77 2ptl s LYS 75 CO 0.15 -1.19 1.27 -0.06 -0.76 0.00 0.00 175.35 174.76 2ptl s PHE 76 N 1.24 2.82 0.00 3.18 0.08 -0.16 -2.89 117.98 122.26 2ptl s PHE 76 Ca 0.17 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.67 2ptl s PHE 76 Cb -0.21 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.64 2ptl s PHE 76 CO -0.03 -1.95 0.43 0.00 -0.10 0.00 0.00 175.22 173.56 2ptl n ALA 77 N -0.05 0.00 0.00 5.36 0.00 -1.00 -3.99 120.51 120.83 2ptl n ALA 77 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ptl n ALA 77 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2ptl n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91