#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 -1.58 -3.42 4.31 0.23 -1.26 -5.03 115.26 108.52 2ptl n ASN 2 Ca 0.00 0.62 -0.24 0.00 -0.53 0.00 0.00 54.58 54.43 2ptl n ASN 2 Cb 0.00 1.62 0.06 0.00 -2.08 0.00 0.00 39.78 39.38 2ptl n ASN 2 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2ptl n LYS 3 N -3.43 -6.66 -1.71 -3.83 5.02 -1.26 -4.90 118.16 101.39 2ptl n LYS 3 Ca 0.00 0.84 -0.39 0.00 -2.02 0.00 0.00 58.31 56.74 2ptl n LYS 3 Cb 0.00 -5.81 0.04 0.00 -0.02 0.00 0.00 35.03 29.24 2ptl n LYS 3 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2ptl n GLU 4 N -4.63 1.49 -3.64 1.97 4.07 -1.26 -5.01 120.64 113.64 2ptl n GLU 4 Ca -0.03 0.55 -0.07 0.00 -0.06 0.00 0.00 57.16 57.55 2ptl n GLU 4 Cb 0.58 -2.45 -0.07 0.00 -0.06 0.00 0.00 31.44 29.44 2ptl n GLU 4 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2ptl s GLU 5 N -2.80 0.68 -0.47 5.31 -1.05 -1.26 -5.09 118.70 114.02 2ptl s GLU 5 Ca 0.72 1.14 0.07 0.00 -0.15 0.00 0.00 54.97 56.76 2ptl s GLU 5 Cb -0.43 0.15 0.25 0.00 -0.44 0.00 0.00 34.13 33.66 2ptl s GLU 5 CO 0.49 -0.14 0.60 0.25 0.95 0.00 0.00 175.26 177.41 2ptl n THR 6 N 4.13 0.30 -1.11 1.83 -2.24 -1.26 -4.99 114.28 110.94 2ptl n THR 6 Ca -0.19 -4.42 -0.32 0.00 -2.27 0.00 0.00 64.05 56.85 2ptl n THR 6 Cb 0.59 -1.95 -0.04 0.00 -2.10 0.00 0.00 70.33 66.82 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 1.19 3.08 0.00 -0.78 -0.04 -1.26 -3.65 135.00 133.53 2ptl n PRO 7 Ca 0.24 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 2ptl n PRO 7 Cb 0.49 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 2ptl n PRO 7 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ptl n GLU 8 N 3.66 0.00 0.17 0.54 1.02 -1.26 -4.83 120.64 119.94 2ptl n GLU 8 Ca 0.66 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.66 2ptl n GLU 8 Cb 0.26 -0.10 -0.07 0.00 -0.02 0.00 0.00 31.44 31.51 2ptl n GLU 8 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2ptl h THR 9 N 0.00 0.50 0.00 2.62 2.02 -2.01 -0.07 112.91 115.97 2ptl h THR 9 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ptl h THR 9 Cb 0.00 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2ptl h THR 9 CO 0.00 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.08 2ptl n PRO 10 N -5.36 0.02 -0.57 6.66 -0.04 -1.26 -4.67 135.00 129.78 2ptl n PRO 10 Ca -0.09 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2ptl n PRO 10 Cb 0.27 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 2ptl n PRO 10 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ptl n GLU 11 N -1.58 1.97 -0.89 0.54 2.13 -0.04 -4.59 120.64 118.17 2ptl n GLU 11 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2ptl n GLU 11 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.80 2ptl n GLU 11 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2ptl n THR 12 N -0.51 0.00 0.00 6.31 -2.24 -1.26 -4.70 114.28 111.88 2ptl n THR 12 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2ptl n THR 12 Cb 0.00 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 2ptl n THR 12 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2ptl n ASP 13 N -0.01 4.30 0.00 3.42 9.92 -1.26 -4.93 116.55 127.99 2ptl n ASP 13 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2ptl n ASP 13 Cb 0.00 0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 2ptl n ASP 13 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2ptl n SER 14 N -1.75 0.00 -4.57 -2.24 3.41 -1.26 -4.81 113.62 102.40 2ptl n SER 14 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 2ptl n SER 14 Cb 0.40 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 2ptl n SER 14 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2ptl s GLU 15 N 0.00 2.92 0.42 4.33 2.12 -1.26 -4.82 118.70 122.41 2ptl s GLU 15 Ca 0.00 0.74 0.04 0.00 0.36 0.00 0.00 54.97 56.11 2ptl s GLU 15 Cb 0.00 -4.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.08 2ptl s GLU 15 CO 0.00 -2.38 0.12 -1.21 -0.54 0.00 0.00 175.26 171.26 2ptl s GLU 16 N 6.42 1.96 0.00 4.30 2.02 -1.26 -4.53 118.70 127.61 2ptl s GLU 16 Ca 0.66 -2.20 0.00 0.00 0.02 0.00 0.00 54.97 53.45 2ptl s GLU 16 Cb -0.14 -0.66 0.00 0.00 0.10 0.00 0.00 34.13 33.43 2ptl s GLU 16 CO 0.24 -0.48 0.00 -1.91 0.02 0.00 0.00 175.26 173.13 2ptl n GLU 17 N -0.95 0.00 -3.74 1.61 4.07 -1.26 -4.18 120.64 116.19 2ptl n GLU 17 Ca -0.07 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.90 2ptl n GLU 17 Cb 0.65 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.93 2ptl n GLU 17 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2ptl s VAL 18 N 0.00 0.02 -0.08 6.31 -7.23 -1.25 -4.96 120.40 113.21 2ptl s VAL 18 Ca 0.00 -0.15 -0.22 0.00 -1.81 0.00 0.00 61.98 59.80 2ptl s VAL 18 Cb 0.00 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 2ptl s VAL 18 CO 0.00 -0.08 0.63 -0.89 -0.31 0.00 0.00 175.10 174.45 2ptl s THR 19 N -0.32 5.08 0.29 5.32 2.01 -1.26 -0.14 115.64 126.62 2ptl s THR 19 Ca -0.05 1.30 0.09 0.00 0.31 0.00 0.00 61.69 63.35 2ptl s THR 19 Cb -0.03 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2ptl s THR 19 CO 0.02 0.28 0.05 -0.51 -0.69 0.00 0.00 174.62 173.77 2ptl s ILE 20 N 0.72 3.35 0.07 1.82 2.07 0.84 -4.94 121.20 125.13 2ptl s ILE 20 Ca 0.34 -1.82 -0.01 0.00 -1.41 0.00 0.00 60.65 57.75 2ptl s ILE 20 Cb -0.17 -2.92 -0.04 0.00 0.13 0.00 0.00 42.46 39.46 2ptl s ILE 20 CO 0.16 -0.31 -0.02 -0.75 -1.91 0.00 0.00 174.94 172.11 2ptl s LYS 21 N -3.73 0.70 0.22 3.50 2.20 -1.19 -2.24 119.74 119.21 2ptl s LYS 21 Ca 0.33 -1.28 -0.09 0.00 -0.36 0.00 0.00 55.97 54.58 2ptl s LYS 21 Cb -0.05 0.14 0.03 0.00 -1.51 0.00 0.00 37.83 36.44 2ptl s LYS 21 CO 0.21 -0.12 0.47 0.00 -0.36 0.00 0.00 175.35 175.55 2ptl n ALA 22 N 0.05 -1.06 -2.82 3.13 0.00 -0.03 -3.10 120.51 116.68 2ptl n ALA 22 Ca -0.12 -0.73 -0.11 0.00 0.00 0.00 0.00 53.44 52.48 2ptl n ALA 22 Cb 0.61 0.58 -0.07 0.00 0.00 0.00 0.00 19.45 20.57 2ptl n ALA 22 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ptl s ASN 23 N -2.21 0.18 -0.42 0.00 0.01 -1.05 -1.61 114.94 109.84 2ptl s ASN 23 Ca 0.09 -1.18 0.05 0.00 -0.71 0.00 0.00 52.86 51.11 2ptl s ASN 23 Cb -0.03 0.54 0.17 0.00 0.41 0.00 0.00 41.25 42.34 2ptl s ASN 23 CO 0.07 -1.07 0.46 -0.76 -1.51 0.00 0.00 177.10 174.28 2ptl s LEU 24 N -3.10 0.02 -0.45 0.60 1.43 0.14 -3.03 118.68 114.29 2ptl s LEU 24 Ca 0.29 -2.09 -0.20 0.00 -1.03 0.00 0.00 54.13 51.10 2ptl s LEU 24 Cb 0.02 0.61 0.03 0.00 0.03 0.00 0.00 46.19 46.88 2ptl s LEU 24 CO 0.12 -0.17 0.60 -0.63 0.23 0.00 0.00 176.35 176.50 2ptl s ILE 25 N 0.85 4.89 0.35 -0.59 1.09 -0.72 -1.09 121.20 125.97 2ptl s ILE 25 Ca 0.25 -0.13 0.01 0.00 -1.10 0.00 0.00 60.65 59.68 2ptl s ILE 25 Cb -0.05 -4.20 -0.03 0.00 -1.06 0.00 0.00 42.46 37.12 2ptl s ILE 25 CO -0.09 -0.62 0.56 -0.36 -0.10 0.00 0.00 174.94 174.33 2ptl s PHE 26 N 2.65 3.48 -0.08 3.97 0.40 -1.26 -1.37 117.98 125.77 2ptl s PHE 26 Ca 0.19 0.34 0.14 0.00 -0.60 0.00 0.00 56.93 56.99 2ptl s PHE 26 Cb -0.16 -1.92 -0.07 0.00 0.51 0.00 0.00 43.02 41.38 2ptl s PHE 26 CO 0.16 0.09 1.18 0.00 0.70 0.00 0.00 175.22 177.35 2ptl h ALA 27 N 0.73 0.61 0.00 5.36 0.00 -1.88 -3.41 119.26 120.67 2ptl h ALA 27 Ca -0.49 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.68 2ptl h ALA 27 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ptl h ALA 27 CO 0.61 0.91 0.00 0.27 0.00 0.00 0.00 179.25 181.04 2ptl n ASN 28 N -3.14 0.19 0.00 0.00 0.23 -1.26 -4.95 115.26 106.33 2ptl n ASN 28 Ca -0.03 0.11 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 2ptl n ASN 28 Cb 0.83 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.53 2ptl n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ptl n GLY 29 N 2.61 -0.79 3.65 4.83 0.00 -1.26 -4.85 105.19 109.37 2ptl n GLY 29 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 2ptl n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ptl s SER 30 N -2.04 -0.14 0.51 1.61 0.01 -1.26 -5.06 113.70 107.32 2ptl s SER 30 Ca 0.00 0.27 -0.18 0.00 1.31 0.00 0.00 55.95 57.36 2ptl s SER 30 Cb 0.00 0.39 -0.08 0.00 0.21 0.00 0.00 66.02 66.54 2ptl s SER 30 CO 0.00 -0.05 0.99 0.42 0.41 0.00 0.00 173.24 175.02 2ptl s THR 31 N 0.23 4.36 -0.29 1.44 -4.23 -1.26 -4.00 115.64 111.88 2ptl s THR 31 Ca 0.04 1.22 -0.25 0.00 -1.18 0.00 0.00 61.69 61.52 2ptl s THR 31 Cb -0.05 -3.63 0.16 0.00 1.34 0.00 0.00 72.50 70.32 2ptl s THR 31 CO -0.13 -0.56 1.27 -1.58 -0.54 0.00 0.00 174.62 173.07 2ptl s GLN 32 N -3.84 0.25 0.07 3.99 0.74 -0.25 -4.93 119.66 115.68 2ptl s GLN 32 Ca 0.61 0.29 -0.21 0.00 0.05 0.00 0.00 55.36 56.10 2ptl s GLN 32 Cb -0.11 0.12 -0.06 0.00 1.10 0.00 0.00 33.01 34.05 2ptl s GLN 32 CO 0.28 -0.03 0.63 0.95 -0.55 0.00 0.00 175.29 176.56 2ptl s THR 33 N 0.14 4.72 0.30 -0.34 -4.23 -1.26 0.23 115.64 115.20 2ptl s THR 33 Ca 0.05 1.34 0.10 0.00 -1.18 0.00 0.00 61.69 62.01 2ptl s THR 33 Cb -0.05 -3.96 -0.05 0.00 1.34 0.00 0.00 72.50 69.78 2ptl s THR 33 CO -0.12 0.50 -0.09 0.00 -0.54 0.00 0.00 174.62 174.38 2ptl s ALA 34 N -0.81 2.99 -0.03 3.99 0.00 -0.64 -4.85 121.76 122.41 2ptl s ALA 34 Ca 0.31 -1.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.11 2ptl s ALA 34 Cb -0.20 -0.39 0.08 0.00 0.00 0.00 0.00 23.12 22.61 2ptl s ALA 34 CO 0.20 0.20 0.70 -1.83 0.00 0.00 0.00 175.76 175.03 2ptl s GLU 35 N -3.61 1.05 0.23 0.00 -1.05 -1.26 -0.85 118.70 113.20 2ptl s GLU 35 Ca 0.32 0.12 -0.15 0.00 -0.15 0.00 0.00 54.97 55.11 2ptl s GLU 35 Cb -0.03 0.49 0.01 0.00 -0.44 0.00 0.00 34.13 34.16 2ptl s GLU 35 CO 0.17 -0.35 0.50 -0.06 0.95 0.00 0.00 175.26 176.47 2ptl s PHE 36 N -1.63 0.18 0.03 4.83 0.40 -0.95 -4.96 117.98 115.89 2ptl s PHE 36 Ca -0.08 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.71 2ptl s PHE 36 Cb -0.00 0.28 -0.00 0.00 0.51 0.00 0.00 43.02 43.81 2ptl s PHE 36 CO 0.05 -0.98 0.03 0.36 0.70 0.00 0.00 175.22 175.38 2ptl n LYS 37 N -0.37 0.06 0.00 0.44 2.85 -1.26 -0.11 118.16 119.77 2ptl n LYS 37 Ca -0.04 -0.32 0.00 0.00 -1.05 0.00 0.00 58.31 56.89 2ptl n LYS 37 Cb 0.62 0.26 0.00 0.00 -0.65 0.00 0.00 35.03 35.26 2ptl n LYS 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ptl n GLY 38 N -0.01 -2.51 0.90 2.58 0.00 0.80 -4.80 105.19 102.15 2ptl n GLY 38 Ca 0.01 -1.31 0.10 0.00 0.00 0.00 0.00 46.02 44.81 2ptl n GLY 38 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ptl n THR 39 N -1.25 0.00 0.00 2.61 5.66 -1.26 -4.58 114.28 115.46 2ptl n THR 39 Ca 0.00 0.16 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 2ptl n THR 39 Cb 0.00 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 2ptl n THR 39 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2ptl n PHE 40 N -2.91 0.00 0.47 1.09 -0.00 -1.26 -3.96 117.46 110.88 2ptl n PHE 40 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.57 2ptl n PHE 40 Cb 0.59 0.00 0.38 0.00 -0.00 0.00 0.00 39.48 40.45 2ptl n PHE 40 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 2ptl h GLU 41 N 0.00 0.00 -0.19 -4.13 4.22 -1.93 -3.06 114.58 109.49 2ptl h GLU 41 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.46 2ptl h GLU 41 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2ptl h GLU 41 CO 0.00 0.00 0.13 0.87 -2.18 0.00 0.00 179.01 177.83 2ptl h LYS 42 N 0.00 0.16 0.00 1.92 1.57 -1.90 0.32 116.57 118.65 2ptl h LYS 42 Ca 0.00 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2ptl h LYS 42 Cb 0.74 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2ptl h LYS 42 CO 0.00 0.11 -0.65 0.00 -0.57 0.00 0.00 179.45 178.34 2ptl h ALA 43 N 1.89 0.69 -0.33 3.86 0.00 -1.78 -1.85 119.26 121.75 2ptl h ALA 43 Ca 0.08 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2ptl h ALA 43 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ptl h ALA 43 CO -0.01 0.81 -0.10 1.15 0.00 0.00 0.00 179.25 181.10 2ptl h THR 44 N 0.00 1.23 0.00 0.00 2.02 -0.47 0.15 112.91 115.83 2ptl h THR 44 Ca -0.01 -1.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.08 2ptl h THR 44 Cb 1.35 1.09 0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2ptl h THR 44 CO 0.08 0.33 -0.38 -1.28 0.37 0.00 0.00 175.52 174.65 2ptl h SER 45 N 0.51 0.33 -0.10 4.18 0.87 -1.14 -0.73 113.55 117.47 2ptl h SER 45 Ca 0.10 -0.78 0.03 0.00 -1.23 0.00 0.00 61.79 59.91 2ptl h SER 45 Cb 0.48 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2ptl h SER 45 CO 0.03 1.06 0.12 -0.33 -0.53 0.00 0.00 176.83 177.18 2ptl h GLU 46 N -0.37 0.00 0.15 2.24 5.08 -1.08 0.26 114.58 120.86 2ptl h GLU 46 Ca -0.05 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.01 2ptl h GLU 46 Cb 1.12 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.40 2ptl h GLU 46 CO 0.07 0.00 -1.30 0.00 -1.00 0.00 0.00 179.01 176.78 2ptl h ALA 47 N 1.85 -0.02 -0.36 3.43 0.00 -0.48 -0.61 119.26 123.07 2ptl h ALA 47 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2ptl h ALA 47 Cb 0.29 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2ptl h ALA 47 CO -0.00 0.73 0.24 -0.92 0.00 0.00 0.00 179.25 179.29 2ptl h TYR 48 N 0.22 0.45 0.00 0.00 5.03 0.10 0.20 116.97 122.97 2ptl h TYR 48 Ca -0.20 0.01 -0.22 0.00 2.58 0.00 0.00 58.73 60.91 2ptl h TYR 48 Cb 1.98 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 40.08 2ptl h TYR 48 CO 0.11 0.29 -1.07 0.00 -1.32 0.00 0.00 178.16 176.17 2ptl h ALA 49 N 1.77 0.41 -0.34 1.82 0.00 -1.10 -2.88 119.26 118.96 2ptl h ALA 49 Ca 0.13 -0.96 0.06 0.00 0.00 0.00 0.00 54.91 54.14 2ptl h ALA 49 Cb -0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2ptl h ALA 49 CO -0.03 1.27 0.01 -0.92 0.00 0.00 0.00 179.25 179.58 2ptl h TYR 50 N 0.00 0.00 -0.54 0.00 3.20 0.67 1.33 116.97 121.63 2ptl h TYR 50 Ca -0.04 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 2ptl h TYR 50 Cb 1.79 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 40.09 2ptl h TYR 50 CO 0.00 -0.05 -0.11 0.00 -1.64 0.00 0.00 178.16 176.36 2ptl h ALA 51 N 1.29 0.77 0.00 1.82 0.00 -1.46 -2.13 119.26 119.54 2ptl h ALA 51 Ca 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ptl h ALA 51 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ptl h ALA 51 CO -0.26 0.67 0.00 -3.47 0.00 0.00 0.00 179.25 176.19 2ptl n ASP 52 N -4.14 0.00 -0.09 0.00 -0.08 -0.44 -3.43 116.55 108.37 2ptl n ASP 52 Ca 0.01 -0.90 -0.10 0.00 -1.51 0.00 0.00 54.79 52.30 2ptl n ASP 52 Cb 0.41 -0.02 0.05 0.00 2.34 0.00 0.00 41.12 43.89 2ptl n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ptl h THR 53 N 0.00 1.28 0.40 5.18 1.03 0.24 -3.28 112.91 117.75 2ptl h THR 53 Ca 0.00 -1.47 -0.02 0.00 -0.01 0.00 0.00 66.41 64.92 2ptl h THR 53 Cb 0.02 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 68.43 2ptl h THR 53 CO 0.00 0.49 -0.19 -0.07 -0.01 0.00 0.00 175.52 175.73 2ptl h LEU 54 N 0.68 -0.45 1.75 0.00 4.07 -1.70 -3.45 115.31 116.20 2ptl h LEU 54 Ca 0.07 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.01 2ptl h LEU 54 Cb 0.86 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 2ptl h LEU 54 CO 0.08 -0.10 -0.04 1.17 -1.08 0.00 0.00 178.44 178.47 2ptl n LYS 55 N -4.70 -2.31 0.00 1.13 0.00 -1.24 -4.79 118.16 106.25 2ptl n LYS 55 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 58.31 58.34 2ptl n LYS 55 Cb 0.21 -4.46 0.00 0.00 0.00 0.00 0.00 35.03 30.78 2ptl n LYS 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2ptl n LYS 56 N -2.10 0.00 -1.69 1.64 4.81 -1.26 -4.73 118.16 114.83 2ptl n LYS 56 Ca -0.02 0.46 -0.01 0.00 -0.87 0.00 0.00 58.31 57.87 2ptl n LYS 56 Cb 0.37 -1.22 0.01 0.00 0.02 0.00 0.00 35.03 34.21 2ptl n LYS 56 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2ptl n ASP 57 N -1.87 0.08 -0.03 3.14 -0.08 -1.26 -4.96 116.55 111.57 2ptl n ASP 57 Ca 0.00 -2.03 -0.00 0.00 -1.51 0.00 0.00 54.79 51.24 2ptl n ASP 57 Cb 0.00 0.01 -0.00 0.00 2.34 0.00 0.00 41.12 43.47 2ptl n ASP 57 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 2ptl h ASN 58 N 0.90 -0.02 0.00 1.67 2.35 -1.95 -3.48 115.58 115.05 2ptl h ASN 58 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2ptl h ASN 58 Cb 1.56 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.93 2ptl h ASN 58 CO -0.06 0.38 0.00 0.61 -1.65 0.00 0.00 177.43 176.71 2ptl n GLY 59 N 1.74 1.86 0.49 2.83 0.00 -1.26 -4.43 105.19 106.42 2ptl n GLY 59 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.35 -1.06 -4.10 1.61 1.02 -1.26 -4.38 120.64 112.12 2ptl n GLU 60 Ca 0.00 0.78 -0.10 0.00 -0.02 0.00 0.00 57.16 57.81 2ptl n GLU 60 Cb 0.00 -1.27 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.29 0.77 -0.37 -0.32 -0.85 -1.26 -1.07 117.35 111.97 2ptl s TYR 61 Ca 0.00 -1.08 -0.11 0.00 -0.52 0.00 0.00 57.07 55.36 2ptl s TYR 61 Cb 0.00 -0.26 0.02 0.00 0.38 0.00 0.00 41.96 42.10 2ptl s TYR 61 CO 0.00 -0.73 0.20 0.99 -1.52 0.00 0.00 175.55 174.49 2ptl s THR 62 N -4.07 4.57 -0.03 -3.49 2.01 -0.55 -4.83 115.64 109.25 2ptl s THR 62 Ca 0.29 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 2ptl s THR 62 Cb 0.04 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 2ptl s THR 62 CO 0.08 -0.21 1.05 0.54 -0.69 0.00 0.00 174.62 175.39 2ptl s VAL 63 N 1.56 4.64 -0.26 3.82 0.11 -1.26 -3.31 120.40 125.70 2ptl s VAL 63 Ca 0.02 1.91 -0.19 0.00 -2.93 0.00 0.00 61.98 60.79 2ptl s VAL 63 Cb -0.19 -4.22 -0.03 0.00 -1.53 0.00 0.00 36.38 30.41 2ptl s VAL 63 CO 0.07 0.08 0.54 1.51 -3.33 0.00 0.00 175.10 173.97 2ptl s ASP 64 N 1.11 6.47 -0.40 3.54 -4.77 -0.63 -4.95 116.67 117.05 2ptl s ASP 64 Ca 0.52 0.57 -0.23 0.00 -3.30 0.00 0.00 52.55 50.11 2ptl s ASP 64 Cb -0.22 -2.30 0.02 0.00 -1.09 0.00 0.00 42.92 39.33 2ptl s ASP 64 CO 0.24 -0.31 0.80 -0.69 0.70 0.00 0.00 175.17 175.91 2ptl s VAL 65 N 2.34 4.68 0.15 2.11 1.01 -1.26 -3.04 120.40 126.39 2ptl s VAL 65 Ca 0.23 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 2ptl s VAL 65 Cb -0.16 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.96 2ptl s VAL 65 CO 0.09 -0.56 0.31 0.00 0.00 0.00 0.00 175.10 174.94 2ptl s ALA 66 N 3.22 -0.25 -0.96 5.51 0.00 -1.26 -4.73 121.76 123.29 2ptl s ALA 66 Ca 0.31 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 2ptl s ALA 66 Cb -0.13 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.78 2ptl s ALA 66 CO 0.20 -0.64 0.60 -3.47 0.00 0.00 0.00 175.76 172.44 2ptl n ASP 67 N -0.21 -4.75 -1.77 0.00 -0.08 -1.26 -2.68 116.55 105.81 2ptl n ASP 67 Ca -0.10 -0.28 -0.07 0.00 -1.51 0.00 0.00 54.79 52.84 2ptl n ASP 67 Cb 0.63 -3.47 0.03 0.00 2.34 0.00 0.00 41.12 40.65 2ptl n ASP 67 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2ptl n LYS 68 N -3.21 -2.51 -4.35 -0.67 4.81 -1.26 -3.06 118.16 107.92 2ptl n LYS 68 Ca -0.03 0.30 -0.38 0.00 -0.87 0.00 0.00 58.31 57.33 2ptl n LYS 68 Cb 0.56 -3.69 -0.05 0.00 0.02 0.00 0.00 35.03 31.86 2ptl n LYS 68 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ptl n GLY 69 N -1.04 -0.39 0.59 3.14 0.00 -1.17 -4.76 105.19 101.56 2ptl n GLY 69 Ca -0.07 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.27 0.00 -2.23 1.61 9.36 -1.13 -4.75 117.16 115.75 2ptl n TYR 70 Ca 0.04 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.86 2ptl n TYR 70 Cb 0.50 -0.05 0.01 0.00 -0.63 0.00 0.00 39.34 39.17 2ptl n TYR 70 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 2ptl n THR 71 N -2.86 5.36 -1.94 2.97 -1.04 -1.09 -3.17 114.28 112.51 2ptl n THR 71 Ca -0.02 -4.95 -0.43 0.00 -2.04 0.00 0.00 64.05 56.61 2ptl n THR 71 Cb 0.52 -1.74 -0.03 0.00 -1.82 0.00 0.00 70.33 67.26 2ptl n THR 71 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2ptl s LEU 72 N -3.26 4.02 -0.08 -4.42 0.05 -1.18 -4.50 118.68 109.32 2ptl s LEU 72 Ca 0.48 1.98 -0.15 0.00 0.05 0.00 0.00 54.13 56.49 2ptl s LEU 72 Cb 0.22 -3.53 -0.05 0.00 -2.05 0.00 0.00 46.19 40.78 2ptl s LEU 72 CO -0.15 -1.24 0.38 0.20 -0.55 0.00 0.00 176.35 174.99 2ptl s ASN 73 N 4.62 6.66 -0.06 1.48 0.01 -1.17 -2.51 114.94 123.97 2ptl s ASN 73 Ca 0.79 0.78 -0.04 0.00 -0.71 0.00 0.00 52.86 53.68 2ptl s ASN 73 Cb -0.31 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 2ptl s ASN 73 CO 0.32 0.19 0.14 -0.63 -1.51 0.00 0.00 177.10 175.61 2ptl s ILE 74 N -0.25 5.30 -0.32 0.60 1.01 -1.17 -1.60 121.20 124.78 2ptl s ILE 74 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 2ptl s ILE 74 Cb -0.15 -3.39 0.11 0.00 0.01 0.00 0.00 42.46 39.04 2ptl s ILE 74 CO 0.10 0.47 0.15 -0.75 0.00 0.00 0.00 174.94 174.90 2ptl s LYS 75 N -1.47 0.52 1.23 2.79 2.47 -1.21 -1.76 119.74 122.31 2ptl s LYS 75 Ca 0.21 -0.98 -0.18 0.00 -1.56 0.00 0.00 55.97 53.45 2ptl s LYS 75 Cb -0.12 -1.54 0.26 0.00 -1.46 0.00 0.00 37.83 34.97 2ptl s LYS 75 CO 0.11 -1.06 0.60 1.19 0.16 0.00 0.00 175.35 176.35 2ptl n PHE 76 N 4.73 -2.29 -0.13 4.03 3.01 -0.47 -1.48 117.46 124.86 2ptl n PHE 76 Ca 0.00 -0.26 -0.04 0.00 1.01 0.00 0.00 57.45 58.16 2ptl n PHE 76 Cb 0.40 -1.50 -0.03 0.00 -0.01 0.00 0.00 39.48 38.34 2ptl n PHE 76 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ptl h ALA 77 N -2.86 -0.19 -0.01 4.37 0.00 -1.30 -3.44 119.26 115.83 2ptl h ALA 77 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ptl h ALA 77 Cb 1.24 1.11 0.00 0.00 0.00 0.00 0.00 17.79 20.14 2ptl h ALA 77 CO 0.33 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.67