#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 -5.45 -3.43 1.62 4.13 -1.26 -4.93 115.26 105.94 2ptl n ASN 2 Ca 0.00 -0.49 -0.27 0.00 1.68 0.00 0.00 54.58 55.50 2ptl n ASN 2 Cb 0.00 -4.37 -0.10 0.00 -1.54 0.00 0.00 39.78 33.77 2ptl n ASN 2 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2ptl s LYS 3 N -6.14 1.03 -0.31 3.52 -0.14 -1.26 -4.97 119.74 111.48 2ptl s LYS 3 Ca 0.48 -2.21 -0.01 0.00 -1.36 0.00 0.00 55.97 52.87 2ptl s LYS 3 Cb -0.23 -1.57 0.20 0.00 -1.68 0.00 0.00 37.83 34.55 2ptl s LYS 3 CO 0.59 -1.38 2.05 0.39 -0.76 0.00 0.00 175.35 176.24 2ptl n GLU 4 N 2.77 1.79 -3.34 1.68 1.02 -1.26 -4.79 120.64 118.52 2ptl n GLU 4 Ca 0.29 -1.52 -0.47 0.00 -0.02 0.00 0.00 57.16 55.44 2ptl n GLU 4 Cb 0.47 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 2ptl n GLU 4 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2ptl s GLU 5 N -1.73 3.56 0.61 3.49 2.02 -1.26 -4.97 118.70 120.42 2ptl s GLU 5 Ca 0.31 -2.44 0.00 0.00 0.02 0.00 0.00 54.97 52.86 2ptl s GLU 5 Cb 0.24 -4.41 0.00 0.00 0.10 0.00 0.00 34.13 30.06 2ptl s GLU 5 CO -0.01 -1.29 0.00 0.25 0.02 0.00 0.00 175.26 174.23 2ptl n THR 6 N 4.01 -1.07 0.91 3.63 -2.24 -1.26 -4.11 114.28 114.14 2ptl n THR 6 Ca 0.13 0.97 0.06 0.00 -2.27 0.00 0.00 64.05 62.94 2ptl n THR 6 Cb 0.47 -1.48 0.36 0.00 -2.10 0.00 0.00 70.33 67.58 2ptl n THR 6 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ptl n PRO 7 N -4.21 0.45 0.00 -0.78 -0.04 -1.26 -4.94 135.00 124.22 2ptl n PRO 7 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2ptl n PRO 7 Cb 0.65 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2ptl n PRO 7 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ptl n GLU 8 N -0.92 0.00 -3.54 0.54 4.07 -1.26 -4.88 120.64 114.65 2ptl n GLU 8 Ca 0.09 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 57.00 2ptl n GLU 8 Cb 0.04 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.44 2ptl n GLU 8 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2ptl n THR 9 N -0.16 -6.17 -0.38 6.31 -2.24 -1.26 -4.77 114.28 105.62 2ptl n THR 9 Ca 0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2ptl n THR 9 Cb 0.00 -4.57 0.00 0.00 -2.10 0.00 0.00 70.33 63.66 2ptl n THR 9 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ptl n PRO 10 N -2.86 0.78 -2.42 -0.78 -0.04 -1.26 -4.84 135.00 123.57 2ptl n PRO 10 Ca -0.15 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.29 2ptl n PRO 10 Cb 0.60 -1.11 -0.01 0.00 -0.04 0.00 0.00 33.50 32.94 2ptl n PRO 10 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ptl n GLU 11 N 1.60 -5.08 -3.37 0.54 -0.58 -1.26 -5.01 120.64 107.49 2ptl n GLU 11 Ca 0.00 3.71 -0.21 0.00 -0.42 0.00 0.00 57.16 60.24 2ptl n GLU 11 Cb 0.39 -4.85 -0.09 0.00 -0.57 0.00 0.00 31.44 26.32 2ptl n GLU 11 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2ptl s THR 12 N -0.62 -0.13 -1.40 2.62 -4.23 -1.26 -5.04 115.64 105.57 2ptl s THR 12 Ca -0.08 -1.45 -0.14 0.00 -1.18 0.00 0.00 61.69 58.84 2ptl s THR 12 Cb 0.01 -0.85 0.06 0.00 1.34 0.00 0.00 72.50 73.06 2ptl s THR 12 CO 0.22 -0.77 2.09 -0.90 -0.54 0.00 0.00 174.62 174.71 2ptl n ASP 13 N 3.90 4.23 0.00 3.99 5.68 -1.26 -4.57 116.55 128.53 2ptl n ASP 13 Ca 0.15 -2.89 0.00 0.00 -0.50 0.00 0.00 54.79 51.54 2ptl n ASP 13 Cb 0.44 -1.65 0.00 0.00 -1.14 0.00 0.00 41.12 38.77 2ptl n ASP 13 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2ptl n SER 14 N 6.16 0.00 -0.02 -1.12 2.88 -1.26 -4.78 113.62 115.48 2ptl n SER 14 Ca 0.50 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.98 2ptl n SER 14 Cb 0.40 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.82 2ptl n SER 14 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2ptl h GLU 15 N 0.00 -0.19 -0.21 -1.46 5.08 -1.87 -3.38 114.58 112.56 2ptl h GLU 15 Ca 0.00 0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 2ptl h GLU 15 Cb 0.00 0.04 -0.25 0.00 0.50 0.00 0.00 28.75 29.04 2ptl h GLU 15 CO 0.00 -0.13 -0.63 -1.91 -1.00 0.00 0.00 179.01 175.34 2ptl n GLU 16 N -3.64 1.48 0.00 2.33 2.13 -1.26 -5.08 120.64 116.61 2ptl n GLU 16 Ca -0.02 -2.19 0.00 0.00 0.66 0.00 0.00 57.16 55.61 2ptl n GLU 16 Cb 0.13 -0.43 0.00 0.00 0.27 0.00 0.00 31.44 31.41 2ptl n GLU 16 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2ptl n GLU 17 N -1.07 0.00 0.00 5.31 -0.58 -1.26 -5.02 120.64 118.02 2ptl n GLU 17 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2ptl n GLU 17 Cb 0.85 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.72 2ptl n GLU 17 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2ptl n VAL 18 N 0.00 0.00 -3.58 2.62 0.31 -1.26 -4.87 118.33 111.54 2ptl n VAL 18 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 2ptl n VAL 18 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 2ptl n VAL 18 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ptl s THR 19 N -0.26 -0.19 0.50 2.52 -4.23 -1.26 -2.46 115.64 110.25 2ptl s THR 19 Ca 0.00 -0.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.54 2ptl s THR 19 Cb 0.00 -0.54 0.04 0.00 1.34 0.00 0.00 72.50 73.34 2ptl s THR 19 CO 0.00 -0.16 0.69 -0.51 -0.54 0.00 0.00 174.62 174.10 2ptl s ILE 20 N 2.23 2.71 -0.28 2.99 2.07 -1.26 -4.97 121.20 124.69 2ptl s ILE 20 Ca 0.04 -0.88 -0.01 0.00 -1.41 0.00 0.00 60.65 58.39 2ptl s ILE 20 Cb -0.15 -2.82 0.18 0.00 0.13 0.00 0.00 42.46 39.79 2ptl s ILE 20 CO -0.09 0.00 0.54 -0.75 -1.91 0.00 0.00 174.94 172.73 2ptl s LYS 21 N -4.57 0.51 -0.12 3.50 2.20 -1.26 -3.74 119.74 116.26 2ptl s LYS 21 Ca 0.58 0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 56.98 2ptl s LYS 21 Cb -0.09 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.44 2ptl s LYS 21 CO 0.36 -0.68 -0.02 0.00 -0.36 0.00 0.00 175.35 174.65 2ptl s ALA 22 N 2.77 3.12 0.26 3.13 0.00 -1.07 -2.74 121.76 127.22 2ptl s ALA 22 Ca 0.18 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.35 2ptl s ALA 22 Cb -0.15 -1.50 0.04 0.00 0.00 0.00 0.00 23.12 21.51 2ptl s ALA 22 CO -0.21 0.40 0.30 0.09 0.00 0.00 0.00 175.76 176.34 2ptl n ASN 23 N 2.84 1.27 -3.98 0.00 3.02 -0.36 0.20 115.26 118.26 2ptl n ASN 23 Ca -0.18 -1.76 -0.09 0.00 -0.03 0.00 0.00 54.58 52.53 2ptl n ASN 23 Cb 0.53 -0.13 -0.10 0.00 -0.61 0.00 0.00 39.78 39.47 2ptl n ASN 23 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ptl s LEU 24 N 0.00 2.07 -0.12 3.41 1.02 -0.57 -1.56 118.68 122.93 2ptl s LEU 24 Ca 0.23 -0.66 -0.05 0.00 0.02 0.00 0.00 54.13 53.66 2ptl s LEU 24 Cb -0.02 0.40 0.06 0.00 0.02 0.00 0.00 46.19 46.65 2ptl s LEU 24 CO 0.14 -0.50 0.26 -0.63 0.02 0.00 0.00 176.35 175.65 2ptl s ILE 25 N -2.78 -0.20 0.30 -0.59 1.09 0.15 -1.77 121.20 117.40 2ptl s ILE 25 Ca -0.04 0.20 0.08 0.00 -1.10 0.00 0.00 60.65 59.79 2ptl s ILE 25 Cb -0.00 -0.42 -0.04 0.00 -1.06 0.00 0.00 42.46 40.94 2ptl s ILE 25 CO -0.06 0.08 0.17 -0.36 -0.10 0.00 0.00 174.94 174.67 2ptl s PHE 26 N 1.76 2.87 -0.72 3.97 0.08 -0.58 -1.30 117.98 124.05 2ptl s PHE 26 Ca -0.05 -0.25 0.26 0.00 0.12 0.00 0.00 56.93 57.00 2ptl s PHE 26 Cb -0.11 -1.53 0.65 0.00 -0.57 0.00 0.00 43.02 41.47 2ptl s PHE 26 CO -0.09 0.40 1.61 0.00 -0.10 0.00 0.00 175.22 177.04 2ptl n ALA 27 N -1.17 2.56 0.86 5.36 0.00 -1.25 -3.69 120.51 123.17 2ptl n ALA 27 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2ptl n ALA 27 Cb 0.59 -1.35 0.03 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 -2.14 1.67 -1.02 0.00 6.94 -1.26 -4.78 115.26 114.67 2ptl n ASN 28 Ca 0.05 -2.08 -0.11 0.00 -0.02 0.00 0.00 54.58 52.42 2ptl n ASN 28 Cb 0.43 -0.52 -0.02 0.00 -2.36 0.00 0.00 39.78 37.31 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 0.11 0.52 2.88 4.83 0.00 -1.24 -5.00 105.19 107.30 2ptl n GLY 29 Ca 0.02 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 2ptl n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ptl s SER 30 N -2.69 1.95 0.42 1.61 0.15 -1.26 -5.04 113.70 108.84 2ptl s SER 30 Ca 0.00 -0.24 0.07 0.00 0.70 0.00 0.00 55.95 56.48 2ptl s SER 30 Cb 0.00 -0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 63.54 2ptl s SER 30 CO 0.00 -0.12 0.23 0.28 1.20 0.00 0.00 173.24 174.83 2ptl s THR 31 N 1.64 2.35 0.00 6.45 -1.32 -1.26 -1.53 115.64 121.96 2ptl s THR 31 Ca 0.03 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 2ptl s THR 31 Cb -0.13 -2.97 0.00 0.00 -1.51 0.00 0.00 72.50 67.89 2ptl s THR 31 CO -0.06 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.35 2ptl n GLN 32 N -1.32 0.00 -4.00 7.08 1.13 -0.73 -4.93 117.38 114.61 2ptl n GLN 32 Ca -0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 2ptl n GLN 32 Cb 0.64 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.96 2ptl n GLN 32 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2ptl s THR 33 N -2.10 0.00 0.09 5.09 -1.32 -1.26 -1.52 115.64 114.63 2ptl s THR 33 Ca 0.00 -1.41 -0.14 0.00 -1.21 0.00 0.00 61.69 58.93 2ptl s THR 33 Cb 0.00 -2.61 0.02 0.00 -1.51 0.00 0.00 72.50 68.40 2ptl s THR 33 CO 0.00 0.00 0.34 0.00 -2.21 0.00 0.00 174.62 172.75 2ptl s ALA 34 N -3.06 -0.73 -0.29 11.08 0.00 0.54 -4.70 121.76 124.59 2ptl s ALA 34 Ca 0.25 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 2ptl s ALA 34 Cb -0.02 0.55 0.11 0.00 0.00 0.00 0.00 23.12 23.76 2ptl s ALA 34 CO 0.16 -0.56 0.69 -1.21 0.00 0.00 0.00 175.76 174.85 2ptl s GLU 35 N -3.48 0.62 -0.37 0.00 2.02 -1.26 -2.60 118.70 113.62 2ptl s GLU 35 Ca 0.01 1.30 0.02 0.00 0.02 0.00 0.00 54.97 56.33 2ptl s GLU 35 Cb 0.02 0.50 0.15 0.00 0.10 0.00 0.00 34.13 34.91 2ptl s GLU 35 CO -0.09 -0.17 0.32 -0.06 0.02 0.00 0.00 175.26 175.27 2ptl s PHE 36 N 2.26 0.28 0.37 1.61 0.40 -1.25 -5.02 117.98 116.64 2ptl s PHE 36 Ca -0.08 -1.38 -0.22 0.00 -0.60 0.00 0.00 56.93 54.65 2ptl s PHE 36 Cb -0.08 -0.66 -0.10 0.00 0.51 0.00 0.00 43.02 42.68 2ptl s PHE 36 CO -0.19 -0.90 0.91 0.15 0.70 0.00 0.00 175.22 175.89 2ptl s LYS 37 N 1.04 4.32 0.00 0.44 1.02 -1.26 -4.01 119.74 121.29 2ptl s LYS 37 Ca 0.20 1.13 0.00 0.00 0.02 0.00 0.00 55.97 57.32 2ptl s LYS 37 Cb -0.15 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 2ptl s LYS 37 CO -0.04 0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 2ptl n GLY 38 N -0.13 3.32 3.02 -3.33 0.00 -1.03 -4.96 105.19 102.08 2ptl n GLY 38 Ca 0.04 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 0.45 0.00 2.61 2.01 -1.26 -4.31 115.64 115.14 2ptl s THR 39 Ca 0.00 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.19 2ptl s THR 39 Cb 0.00 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.02 2ptl s THR 39 CO 0.00 -0.25 0.00 0.33 -0.69 0.00 0.00 174.62 174.01 2ptl n PHE 40 N 1.90 0.00 0.19 4.92 7.35 -1.26 -3.68 117.46 126.89 2ptl n PHE 40 Ca -0.20 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.60 2ptl n PHE 40 Cb 0.56 0.00 0.13 0.00 0.35 0.00 0.00 39.48 40.52 2ptl n PHE 40 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2ptl h GLU 41 N 0.00 0.00 -0.87 -4.13 4.81 -1.99 -3.20 114.58 109.19 2ptl h GLU 41 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2ptl h GLU 41 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2ptl h GLU 41 CO 0.00 0.06 0.58 -0.22 -0.73 0.00 0.00 179.01 178.70 2ptl h LYS 42 N 0.00 1.08 0.00 1.92 1.63 -2.00 0.28 116.57 119.48 2ptl h LYS 42 Ca -0.00 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 2ptl h LYS 42 Cb 1.06 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 2ptl h LYS 42 CO 0.01 0.72 -0.18 0.00 -3.45 0.00 0.00 179.45 176.55 2ptl h ALA 43 N 1.48 1.49 -0.34 5.00 0.00 -1.63 -1.01 119.26 124.25 2ptl h ALA 43 Ca 0.34 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2ptl h ALA 43 Cb -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2ptl h ALA 43 CO -0.10 0.22 -0.02 1.15 0.00 0.00 0.00 179.25 180.51 2ptl h THR 44 N 0.00 1.21 0.05 0.00 2.02 -0.56 0.11 112.91 115.73 2ptl h THR 44 Ca -0.00 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 2ptl h THR 44 Cb 0.36 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2ptl h THR 44 CO 0.02 0.29 -0.02 -1.28 0.37 0.00 0.00 175.52 174.90 2ptl h SER 45 N 0.52 -0.05 -0.11 4.18 0.87 -0.87 -0.27 113.55 117.82 2ptl h SER 45 Ca 0.11 -0.60 0.03 0.00 -1.23 0.00 0.00 61.79 60.10 2ptl h SER 45 Cb 0.36 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2ptl h SER 45 CO 0.01 0.63 0.12 1.05 -0.53 0.00 0.00 176.83 178.11 2ptl h GLU 46 N -0.79 0.00 -0.07 2.24 4.11 -1.29 0.40 114.58 119.18 2ptl h GLU 46 Ca -0.01 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.19 2ptl h GLU 46 Cb 0.65 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.91 2ptl h GLU 46 CO 0.01 0.00 -0.88 0.00 0.07 0.00 0.00 179.01 178.21 2ptl h ALA 47 N 1.87 0.31 -0.30 1.06 0.00 -0.63 0.12 119.26 121.68 2ptl h ALA 47 Ca 0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2ptl h ALA 47 Cb 0.29 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2ptl h ALA 47 CO -0.00 0.72 0.11 -0.92 0.00 0.00 0.00 179.25 179.16 2ptl h TYR 48 N 0.40 0.42 0.00 0.00 5.03 0.16 0.19 116.97 123.16 2ptl h TYR 48 Ca -0.08 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.16 2ptl h TYR 48 Cb 1.51 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.65 2ptl h TYR 48 CO 0.08 0.35 -0.40 0.00 -1.32 0.00 0.00 178.16 176.86 2ptl h ALA 49 N 1.70 0.78 -0.64 1.82 0.00 -0.80 -3.18 119.26 118.94 2ptl h ALA 49 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ptl h ALA 49 Cb 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2ptl h ALA 49 CO -0.01 0.37 0.41 -0.92 0.00 0.00 0.00 179.25 179.10 2ptl h TYR 50 N 0.00 0.81 0.00 0.00 3.20 0.21 0.67 116.97 121.87 2ptl h TYR 50 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2ptl h TYR 50 Cb 1.23 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2ptl h TYR 50 CO 0.00 0.52 0.00 0.00 -1.64 0.00 0.00 178.16 177.04 2ptl n ALA 51 N -2.28 1.95 -0.04 1.82 0.00 -0.95 -3.09 120.51 117.92 2ptl n ALA 51 Ca 0.05 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 2ptl n ALA 51 Cb 0.03 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 2ptl n ALA 51 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2ptl h ASP 52 N 0.00 -0.03 0.23 0.00 3.58 -0.88 -3.23 116.42 116.09 2ptl h ASP 52 Ca 0.00 -0.57 0.00 0.00 0.42 0.00 0.00 57.03 56.88 2ptl h ASP 52 Cb 0.49 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2ptl h ASP 52 CO 0.00 0.73 0.00 0.35 -2.88 0.00 0.00 179.24 177.44 2ptl n THR 53 N -4.72 0.82 0.35 2.25 -2.24 -0.71 -3.36 114.28 106.67 2ptl n THR 53 Ca -0.06 0.21 -0.18 0.00 -2.27 0.00 0.00 64.05 61.74 2ptl n THR 53 Cb 0.29 -1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 67.40 2ptl n THR 53 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2ptl h LEU 54 N 0.00 -1.29 1.19 3.22 5.85 -1.55 -3.43 115.31 119.29 2ptl h LEU 54 Ca 0.00 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2ptl h LEU 54 Cb 0.12 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 2ptl h LEU 54 CO 0.00 -0.69 -0.13 2.29 -0.34 0.00 0.00 178.44 179.56 2ptl n LYS 55 N -5.47 -2.18 -0.54 1.25 -0.00 -1.21 -4.67 118.16 105.33 2ptl n LYS 55 Ca -0.13 0.02 -0.04 0.00 -0.00 0.00 0.00 58.31 58.16 2ptl n LYS 55 Cb 0.47 -3.45 0.01 0.00 -0.00 0.00 0.00 35.03 32.06 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 -2.15 1.20 -2.62 -1.58 4.76 -1.26 -4.64 118.16 111.88 2ptl n LYS 56 Ca 0.02 -0.41 -0.08 0.00 -2.87 0.00 0.00 58.31 54.97 2ptl n LYS 56 Cb 0.37 -1.16 0.02 0.00 -1.84 0.00 0.00 35.03 32.42 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 1.07 -3.29 0.00 4.39 8.00 -1.26 -4.98 116.55 120.47 2ptl n ASP 57 Ca 0.08 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2ptl n ASP 57 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 41.12 39.51 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 0.12 0.00 0.00 -2.24 3.02 -1.26 -4.97 115.26 109.93 2ptl n ASN 58 Ca -0.03 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 2ptl n ASN 58 Cb 0.54 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 1.86 0.84 0.89 7.41 0.00 -1.26 -2.42 105.19 112.51 2ptl n GLY 59 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 -1.94 1.61 1.02 -1.26 -3.24 120.64 114.83 2ptl n GLU 60 Ca 0.00 1.57 -0.03 0.00 -0.02 0.00 0.00 57.16 58.68 2ptl n GLU 60 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 2ptl n GLU 60 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2ptl n TYR 61 N -3.53 -1.14 -4.39 -0.32 4.11 -1.26 -1.01 117.16 109.62 2ptl n TYR 61 Ca -0.04 -0.57 -0.20 0.00 -0.00 0.00 0.00 57.90 57.09 2ptl n TYR 61 Cb 0.42 0.22 -0.10 0.00 -0.00 0.00 0.00 39.34 39.88 2ptl n TYR 61 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 2ptl s THR 62 N -2.68 1.63 -0.19 -3.48 2.01 -1.03 -4.94 115.64 106.96 2ptl s THR 62 Ca 0.06 -2.15 -0.07 0.00 0.31 0.00 0.00 61.69 59.84 2ptl s THR 62 Cb -0.01 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2ptl s THR 62 CO 0.04 -0.42 0.06 0.54 -0.69 0.00 0.00 174.62 174.15 2ptl s VAL 63 N -3.03 4.61 0.32 3.82 0.11 -1.26 -2.98 120.40 121.99 2ptl s VAL 63 Ca 0.27 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.21 2ptl s VAL 63 Cb 0.02 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.74 2ptl s VAL 63 CO 0.10 0.44 0.54 -0.62 -3.33 0.00 0.00 175.10 172.22 2ptl s ASP 64 N 0.63 6.34 -0.17 3.54 -1.08 -1.18 -4.98 116.67 119.78 2ptl s ASP 64 Ca 0.03 0.52 -0.01 0.00 -0.52 0.00 0.00 52.55 52.57 2ptl s ASP 64 Cb -0.13 -2.06 0.05 0.00 -1.46 0.00 0.00 42.92 39.31 2ptl s ASP 64 CO 0.02 -0.25 -0.01 -0.69 0.52 0.00 0.00 175.17 174.76 2ptl s VAL 65 N -2.22 0.82 0.30 1.11 1.01 -1.26 -3.94 120.40 116.22 2ptl s VAL 65 Ca 0.41 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2ptl s VAL 65 Cb -0.10 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.15 2ptl s VAL 65 CO 0.34 -0.01 0.50 0.00 0.00 0.00 0.00 175.10 175.93 2ptl s ALA 66 N 1.74 0.12 -0.95 5.51 0.00 -0.74 -4.76 121.76 122.68 2ptl s ALA 66 Ca -0.00 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 50.83 2ptl s ALA 66 Cb -0.16 1.07 0.00 0.00 0.00 0.00 0.00 23.12 24.03 2ptl s ALA 66 CO -0.07 -0.84 0.01 -3.47 0.00 0.00 0.00 175.76 171.39 2ptl n ASP 67 N -0.87 -3.66 0.00 0.00 -0.08 -1.26 -1.60 116.55 109.07 2ptl n ASP 67 Ca -0.01 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 2ptl n ASP 67 Cb 0.62 -2.88 0.00 0.00 2.34 0.00 0.00 41.12 41.20 2ptl n ASP 67 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2ptl n LYS 68 N -2.10 0.00 -2.18 -0.67 2.85 -1.26 -3.74 118.16 111.06 2ptl n LYS 68 Ca -0.13 0.15 -0.04 0.00 -1.05 0.00 0.00 58.31 57.24 2ptl n LYS 68 Cb 0.60 -2.97 0.00 0.00 -0.65 0.00 0.00 35.03 32.01 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 -1.68 0.28 1.03 2.58 0.00 -1.11 -4.93 105.19 101.36 2ptl n GLY 69 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.84 -0.01 -2.67 1.61 9.36 -0.98 -4.91 117.16 115.72 2ptl n TYR 70 Ca -0.04 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.75 2ptl n TYR 70 Cb 0.53 0.01 -0.02 0.00 -0.63 0.00 0.00 39.34 39.23 2ptl n TYR 70 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2ptl s THR 71 N -2.00 4.73 -0.31 2.97 -1.32 -0.63 -4.21 115.64 114.88 2ptl s THR 71 Ca 0.00 2.04 0.03 0.00 -1.21 0.00 0.00 61.69 62.55 2ptl s THR 71 Cb 0.00 -4.31 0.09 0.00 -1.51 0.00 0.00 72.50 66.77 2ptl s THR 71 CO 0.00 -0.08 0.01 -0.76 -2.21 0.00 0.00 174.62 171.58 2ptl s LEU 72 N 2.55 4.27 -0.50 9.08 1.43 -1.11 -1.79 118.68 132.60 2ptl s LEU 72 Ca 0.46 -1.91 -0.29 0.00 -1.03 0.00 0.00 54.13 51.37 2ptl s LEU 72 Cb -0.17 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.51 2ptl s LEU 72 CO 0.13 -0.33 1.23 0.20 0.23 0.00 0.00 176.35 177.81 2ptl s ASN 73 N 0.99 6.47 0.26 2.29 0.02 -1.25 -1.22 114.94 122.51 2ptl s ASN 73 Ca 0.05 0.41 -0.29 0.00 -1.02 0.00 0.00 52.86 52.01 2ptl s ASN 73 Cb -0.19 -2.55 -0.09 0.00 0.02 0.00 0.00 41.25 38.44 2ptl s ASN 73 CO -0.08 -1.40 0.95 -0.63 0.02 0.00 0.00 177.10 175.96 2ptl s ILE 74 N 4.94 4.06 -0.23 0.60 1.01 -0.60 -3.07 121.20 127.90 2ptl s ILE 74 Ca 0.49 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.14 2ptl s ILE 74 Cb -0.09 -4.24 0.06 0.00 0.01 0.00 0.00 42.46 38.21 2ptl s ILE 74 CO 0.30 0.42 -0.03 -0.75 0.00 0.00 0.00 174.94 174.87 2ptl s LYS 75 N -1.37 1.45 -0.05 2.79 2.47 -1.16 0.32 119.74 124.19 2ptl s LYS 75 Ca 0.43 -0.93 -0.22 0.00 -1.56 0.00 0.00 55.97 53.69 2ptl s LYS 75 Cb -0.25 -2.52 -0.04 0.00 -1.46 0.00 0.00 37.83 33.56 2ptl s LYS 75 CO 0.31 -0.63 0.63 -0.06 0.16 0.00 0.00 175.35 175.76 2ptl s PHE 76 N 1.46 3.60 0.00 4.03 0.40 -0.42 -2.46 117.98 124.59 2ptl s PHE 76 Ca -0.04 1.17 0.00 0.00 -0.60 0.00 0.00 56.93 57.46 2ptl s PHE 76 Cb -0.19 -2.70 0.00 0.00 0.51 0.00 0.00 43.02 40.65 2ptl s PHE 76 CO -0.07 0.19 0.00 0.00 0.70 0.00 0.00 175.22 176.04 2ptl n ALA 77 N 3.40 0.00 -0.12 5.36 0.00 -0.18 -3.96 120.51 125.02 2ptl n ALA 77 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2ptl n ALA 77 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2ptl n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91