#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o78 s LYS 2 N 0.00 1.21 0.06 0.03 0.00 -1.26 -5.17 119.74 114.60 1o78 s LYS 2 Ca 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 55.97 54.55 1o78 s LYS 2 Cb 0.00 0.32 -0.03 0.00 0.00 0.00 0.00 37.83 38.12 1o78 s LYS 2 CO 0.00 -0.42 -0.06 -0.51 0.00 0.00 0.00 175.35 174.36 1o78 s LEU 3 N -3.07 2.38 -0.17 2.77 1.43 -1.26 -5.14 118.68 115.62 1o78 s LEU 3 Ca 0.29 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1o78 s LEU 3 Cb 0.05 -0.04 0.02 0.00 0.03 0.00 0.00 46.19 46.25 1o78 s LEU 3 CO 0.07 -0.37 -0.19 -0.75 0.23 0.00 0.00 176.35 175.34 1o78 s LYS 4 N -2.70 2.84 -0.24 1.70 2.20 -1.26 -4.99 119.74 117.29 1o78 s LYS 4 Ca -0.01 -0.77 0.17 0.00 -0.36 0.00 0.00 55.97 55.00 1o78 s LYS 4 Cb -0.02 -2.45 0.48 0.00 -1.51 0.00 0.00 37.83 34.33 1o78 s LYS 4 CO -0.03 -0.19 1.15 1.33 -0.36 0.00 0.00 175.35 177.25 1o78 n VAL 5 N 4.59 1.64 -1.45 4.02 0.24 -1.26 -5.11 118.33 121.00 1o78 n VAL 5 Ca -0.20 -3.18 0.16 0.00 -2.04 0.00 0.00 64.34 59.09 1o78 n VAL 5 Cb 0.50 0.30 -0.09 0.00 -1.47 0.00 0.00 33.84 33.08 1o78 n VAL 5 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1o78 n THR 6 N -0.56 -1.04 -3.21 3.34 -1.04 -1.26 -4.85 114.28 105.66 1o78 n THR 6 Ca 0.21 0.97 -0.24 0.00 -2.04 0.00 0.00 64.05 62.95 1o78 n THR 6 Cb 0.89 -1.47 -0.07 0.00 -1.82 0.00 0.00 70.33 67.86 1o78 n THR 6 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1o78 n VAL 7 N -4.28 -0.29 -4.58 12.58 0.31 -1.26 -5.09 118.33 115.72 1o78 n VAL 7 Ca -0.09 -4.21 -0.33 0.00 -0.01 0.00 0.00 64.34 59.69 1o78 n VAL 7 Cb 0.67 -1.79 -0.13 0.00 -0.91 0.00 0.00 33.84 31.68 1o78 n VAL 7 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1o78 s ASN 8 N -1.47 4.49 0.00 4.52 2.47 -1.26 -4.58 114.94 119.11 1o78 s ASN 8 Ca 0.36 -0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.47 1o78 s ASN 8 Cb 0.19 -1.59 0.00 0.00 -1.45 0.00 0.00 41.25 38.40 1o78 s ASN 8 CO -0.10 0.21 0.00 0.61 -3.72 0.00 0.00 177.10 174.10 1o78 n GLY 9 N 3.25 1.03 1.06 1.21 0.00 -1.26 -5.09 105.19 105.38 1o78 n GLY 9 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1o78 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o78 n ALA 10 N 0.00 -0.34 -2.72 4.61 0.00 -1.26 -5.17 120.51 115.63 1o78 n ALA 10 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1o78 n ALA 10 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1o78 n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o78 n GLY 11 N -0.16 1.57 1.11 0.00 0.00 -1.26 -5.05 105.19 101.39 1o78 n GLY 11 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1o78 n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o78 n LYS 12 N 0.00 0.43 -1.68 1.61 5.02 -1.26 -5.07 118.16 117.22 1o78 n LYS 12 Ca 0.00 -2.22 -0.46 0.00 -2.02 0.00 0.00 58.31 53.61 1o78 n LYS 12 Cb 0.00 -0.51 -0.04 0.00 -0.02 0.00 0.00 35.03 34.46 1o78 n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1o78 n ALA 13 N -0.03 1.21 -1.40 7.82 0.00 -1.26 -4.96 120.51 121.89 1o78 n ALA 13 Ca 0.09 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1o78 n ALA 13 Cb 0.97 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1o78 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o78 n GLY 14 N 4.26 0.83 2.93 0.00 0.00 -1.26 -5.04 105.19 106.91 1o78 n GLY 14 Ca 0.21 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1o78 n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1o78 s GLU 15 N 1.69 1.48 0.00 1.61 2.12 -1.26 -4.70 118.70 119.64 1o78 s GLU 15 Ca 0.00 -1.20 0.00 0.00 0.36 0.00 0.00 54.97 54.13 1o78 s GLU 15 Cb 0.00 -2.63 0.00 0.00 0.26 0.00 0.00 34.13 31.76 1o78 s GLU 15 CO 0.00 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.41 1o78 n GLY 16 N 4.60 0.86 3.30 -1.50 0.00 -1.26 -4.84 105.19 106.34 1o78 n GLY 16 Ca -0.07 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1o78 n GLY 16 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1o78 n GLU 17 N 0.00 -1.52 -3.97 1.61 0.00 -1.26 -4.41 120.64 111.08 1o78 n GLU 17 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 57.16 56.43 1o78 n GLU 17 Cb 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 31.44 29.56 1o78 n GLU 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1o78 s ILE 18 N -2.26 1.84 0.29 3.84 1.09 -1.18 -4.92 121.20 119.90 1o78 s ILE 18 Ca 0.57 -1.74 -0.29 0.00 -1.10 0.00 0.00 60.65 58.09 1o78 s ILE 18 Cb -0.13 -2.20 -0.10 0.00 -1.06 0.00 0.00 42.46 38.97 1o78 s ILE 18 CO 0.66 -0.35 1.20 -2.16 -0.10 0.00 0.00 174.94 174.20 1o78 s PRO 19 N 1.19 4.51 1.12 2.79 0.04 -1.26 -0.37 135.00 143.02 1o78 s PRO 19 Ca 0.02 1.99 -0.16 0.00 0.04 0.00 0.00 61.00 62.88 1o78 s PRO 19 Cb -0.19 -3.14 0.25 0.00 0.04 0.00 0.00 34.50 31.46 1o78 s PRO 19 CO -0.09 0.01 1.10 0.00 0.04 0.00 0.00 177.00 178.06 1o78 s ALA 20 N -1.05 0.69 -0.07 8.56 0.00 -1.09 -4.77 121.76 124.03 1o78 s ALA 20 Ca 0.47 -0.69 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 1o78 s ALA 20 Cb -0.35 -2.99 -0.17 0.00 0.00 0.00 0.00 23.12 19.61 1o78 s ALA 20 CO 0.46 -3.31 0.85 -1.00 0.00 0.00 0.00 175.76 172.76 1o78 h PRO 21 N -2.32 -0.13 0.00 0.00 0.13 -1.95 -2.94 132.00 124.80 1o78 h PRO 21 Ca -0.50 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1o78 h PRO 21 Cb 1.31 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1o78 h PRO 21 CO 0.45 0.39 0.00 1.28 -0.23 0.00 0.00 178.00 179.88 1o78 n LEU 22 N -4.85 0.00 -3.91 1.56 4.77 -1.26 -4.45 117.00 108.86 1o78 n LEU 22 Ca -0.08 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.92 1o78 n LEU 22 Cb 0.28 0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1o78 n LEU 22 CO 0.26 -0.46 1.05 0.00 -1.33 0.00 0.00 177.39 176.92 1o78 s ALA 23 N -1.91 -2.31 0.00 -1.18 0.00 -1.26 -1.23 121.76 113.86 1o78 s ALA 23 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1o78 s ALA 23 Cb 0.00 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1o78 s ALA 23 CO 0.00 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1o78 n GLY 24 N -0.81 -1.27 2.88 0.00 0.00 -1.26 -4.76 105.19 99.98 1o78 n GLY 24 Ca 0.01 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 1o78 n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o78 s THR 25 N -2.89 1.42 0.79 2.61 2.01 0.54 0.13 115.64 120.26 1o78 s THR 25 Ca 0.00 -1.47 -0.14 0.00 0.31 0.00 0.00 61.69 60.38 1o78 s THR 25 Cb 0.00 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.64 1o78 s THR 25 CO 0.00 -0.39 0.87 0.52 -0.69 0.00 0.00 174.62 174.93 1o78 n VAL 26 N 4.66 1.79 0.00 3.82 0.31 -1.01 -0.40 118.33 127.50 1o78 n VAL 26 Ca -0.05 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1o78 n VAL 26 Cb 0.43 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 1o78 n VAL 26 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1o78 n SER 27 N -1.94 2.23 -3.65 4.52 7.64 -1.08 -4.55 113.62 116.79 1o78 n SER 27 Ca 0.12 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.97 1o78 n SER 27 Cb 0.51 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.64 1o78 n SER 27 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1o78 s LYS 28 N -1.62 0.23 0.11 1.43 2.20 -1.25 -4.83 119.74 116.01 1o78 s LYS 28 Ca 0.00 0.34 -0.01 0.00 -0.36 0.00 0.00 55.97 55.94 1o78 s LYS 28 Cb 0.00 0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 1o78 s LYS 28 CO 0.00 -0.04 0.28 -1.50 -0.36 0.00 0.00 175.35 173.73 1o78 s ILE 29 N 0.78 5.30 -0.10 5.43 2.07 -1.26 -0.22 121.20 133.20 1o78 s ILE 29 Ca -0.03 -0.31 -0.12 0.00 -1.41 0.00 0.00 60.65 58.77 1o78 s ILE 29 Cb -0.04 -3.65 -0.05 0.00 0.13 0.00 0.00 42.46 38.85 1o78 s ILE 29 CO -0.12 0.05 -0.24 0.18 -1.91 0.00 0.00 174.94 172.90 1o78 n LEU 30 N 0.02 1.63 -4.78 8.50 7.99 -0.72 -4.92 117.00 124.73 1o78 n LEU 30 Ca -0.05 0.26 -0.35 0.00 -0.01 0.00 0.00 56.01 55.87 1o78 n LEU 30 Cb 0.52 -0.60 0.00 0.00 -0.11 0.00 0.00 43.42 43.23 1o78 n LEU 30 CO 0.50 -0.33 0.77 -0.69 -1.51 0.00 0.00 177.39 176.13 1o78 s VAL 31 N -2.58 3.28 -0.36 4.08 1.01 -0.83 -4.96 120.40 120.03 1o78 s VAL 31 Ca -0.21 0.76 0.06 0.00 0.00 0.00 0.00 61.98 62.59 1o78 s VAL 31 Cb 0.04 -3.29 0.45 0.00 0.00 0.00 0.00 36.38 33.57 1o78 s VAL 31 CO 0.30 -0.21 1.25 0.29 0.00 0.00 0.00 175.10 176.73 1o78 n LYS 32 N -1.44 3.49 -1.67 2.72 5.02 -1.26 -5.03 118.16 119.99 1o78 n LYS 32 Ca 0.11 -4.18 0.00 0.00 -2.02 0.00 0.00 58.31 52.22 1o78 n LYS 32 Cb 0.51 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 1o78 n LYS 32 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1o78 n GLU 33 N -0.67 -4.53 -1.49 1.97 0.00 -1.26 -4.68 120.64 109.98 1o78 n GLU 33 Ca 0.44 3.45 -0.16 0.00 0.00 0.00 0.00 57.16 60.90 1o78 n GLU 33 Cb 0.86 -4.13 -0.07 0.00 0.00 0.00 0.00 31.44 28.11 1o78 n GLU 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1o78 n GLY 34 N -1.88 1.56 3.40 8.31 0.00 -1.08 -4.97 105.19 110.53 1o78 n GLY 34 Ca 0.00 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1o78 n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1o78 s ASP 35 N -2.82 3.81 0.73 1.61 1.11 -1.26 -4.87 116.67 114.98 1o78 s ASP 35 Ca 0.00 -0.30 -0.11 0.00 0.18 0.00 0.00 52.55 52.32 1o78 s ASP 35 Cb 0.00 -1.02 0.03 0.00 1.07 0.00 0.00 42.92 43.00 1o78 s ASP 35 CO 0.00 0.28 1.08 -0.89 1.18 0.00 0.00 175.17 176.82 1o78 s THR 36 N -0.34 3.60 0.17 -1.27 2.01 -1.26 -2.69 115.64 115.85 1o78 s THR 36 Ca 0.03 0.54 -0.08 0.00 0.31 0.00 0.00 61.69 62.48 1o78 s THR 36 Cb -0.13 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1o78 s THR 36 CO 0.02 -0.66 0.27 0.54 -0.69 0.00 0.00 174.62 174.11 1o78 s VAL 37 N -2.91 0.06 0.47 3.82 0.11 0.10 -4.93 120.40 117.12 1o78 s VAL 37 Ca 0.60 -1.44 0.02 0.00 -2.93 0.00 0.00 61.98 58.24 1o78 s VAL 37 Cb -0.16 -1.89 -0.02 0.00 -1.53 0.00 0.00 36.38 32.78 1o78 s VAL 37 CO 0.54 -0.29 0.03 -0.54 -3.33 0.00 0.00 175.10 171.52 1o78 s LYS 38 N -3.98 2.09 -0.59 1.54 1.02 -1.26 -1.36 119.74 117.19 1o78 s LYS 38 Ca 0.18 -2.30 -0.27 0.00 0.02 0.00 0.00 55.97 53.60 1o78 s LYS 38 Cb 0.04 -1.30 0.01 0.00 -0.52 0.00 0.00 37.83 36.05 1o78 s LYS 38 CO 0.01 -0.35 1.52 0.00 -0.92 0.00 0.00 175.35 175.61 1o78 s ALA 39 N -2.95 2.65 0.00 5.17 0.00 -1.26 -2.63 121.76 122.74 1o78 s ALA 39 Ca 0.14 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1o78 s ALA 39 Cb 0.03 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1o78 s ALA 39 CO 0.08 -3.20 0.00 0.41 0.00 0.00 0.00 175.76 173.05 1o78 n GLY 40 N 5.39 2.10 3.62 0.00 0.00 -0.82 -4.96 105.19 110.52 1o78 n GLY 40 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1o78 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1o78 s GLN 41 N 0.00 3.46 -0.77 1.61 -0.21 -1.08 -4.43 119.66 118.24 1o78 s GLN 41 Ca 0.00 1.96 -0.24 0.00 0.02 0.00 0.00 55.36 57.10 1o78 s GLN 41 Cb 0.00 -4.25 -0.17 0.00 1.00 0.00 0.00 33.01 29.60 1o78 s GLN 41 CO 0.00 -1.72 2.44 2.41 -2.12 0.00 0.00 175.29 176.30 1o78 n THR 42 N 7.08 -0.03 -0.25 -0.19 -1.04 -1.26 -0.53 114.28 118.05 1o78 n THR 42 Ca 0.25 -0.49 0.05 0.00 -2.04 0.00 0.00 64.05 61.81 1o78 n THR 42 Cb 0.45 -1.60 0.28 0.00 -1.82 0.00 0.00 70.33 67.63 1o78 n THR 42 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1o78 h VAL 43 N 7.65 1.06 -0.65 12.58 2.07 0.15 -3.42 116.25 135.70 1o78 h VAL 43 Ca -0.09 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1o78 h VAL 43 Cb 1.18 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1o78 h VAL 43 CO 1.25 0.17 0.00 0.00 0.02 0.00 0.00 177.57 179.01 1o78 n LEU 44 N -4.48 0.00 -3.90 2.57 -0.00 -1.14 -1.76 117.00 108.30 1o78 n LEU 44 Ca 0.12 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.02 1o78 n LEU 44 Cb 0.19 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.50 1o78 n LEU 44 CO 0.34 0.00 -0.24 -0.69 -0.00 0.00 0.00 177.39 176.80 1o78 s VAL 45 N -2.64 0.08 0.29 1.47 1.01 0.69 0.49 120.40 121.78 1o78 s VAL 45 Ca 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1o78 s VAL 45 Cb 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 36.05 1o78 s VAL 45 CO 0.00 -0.35 0.48 -0.22 0.00 0.00 0.00 175.10 175.01 1o78 s LEU 46 N -1.15 0.60 -0.29 3.92 2.96 -0.80 -2.63 118.68 121.30 1o78 s LEU 46 Ca -0.12 -1.18 0.04 0.00 -0.22 0.00 0.00 54.13 52.65 1o78 s LEU 46 Cb -0.07 1.64 0.20 0.00 0.50 0.00 0.00 46.19 48.46 1o78 s LEU 46 CO 0.01 -1.22 0.64 -0.70 -1.32 0.00 0.00 176.35 173.76 1o78 s GLU 47 N -3.55 0.51 -0.00 1.98 2.12 0.46 -0.29 118.70 119.92 1o78 s GLU 47 Ca 0.26 0.51 -0.01 0.00 0.36 0.00 0.00 54.97 56.08 1o78 s GLU 47 Cb -0.00 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.61 1o78 s GLU 47 CO 0.13 -0.95 -0.03 0.00 -0.54 0.00 0.00 175.26 173.87 1o78 n ALA 48 N 5.38 2.85 -2.68 6.30 0.00 -1.26 -0.34 120.51 130.76 1o78 n ALA 48 Ca 0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1o78 n ALA 48 Cb 0.54 0.42 0.08 0.00 0.00 0.00 0.00 19.45 20.49 1o78 n ALA 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1o78 n MET 49 N -3.20 1.19 -3.61 0.00 2.81 -1.26 -4.89 117.12 108.15 1o78 n MET 49 Ca -0.04 -2.54 -0.20 0.00 -1.81 0.00 0.00 57.70 53.11 1o78 n MET 49 Cb 0.43 -0.65 0.06 0.00 -0.71 0.00 0.00 33.22 32.35 1o78 n MET 49 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1o78 n LYS 50 N -0.36 -5.75 -1.01 0.03 3.00 -1.26 -4.88 118.16 107.93 1o78 n LYS 50 Ca 0.03 0.71 -0.02 0.00 -0.00 0.00 0.00 58.31 59.03 1o78 n LYS 50 Cb 0.84 -5.49 -0.03 0.00 0.00 0.00 0.00 35.03 30.35 1o78 n LYS 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1o78 n MET 51 N -4.29 0.00 0.00 1.64 1.56 -1.26 -5.03 117.12 109.74 1o78 n MET 51 Ca -0.26 -1.12 0.00 0.00 -0.27 0.00 0.00 57.70 56.06 1o78 n MET 51 Cb 0.66 0.17 0.00 0.00 2.15 0.00 0.00 33.22 36.20 1o78 n MET 51 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1o78 n GLU 52 N 0.14 0.00 0.00 2.12 4.71 -1.26 -5.00 120.64 121.35 1o78 n GLU 52 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.04 1o78 n GLU 52 Cb 0.79 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.22 1o78 n GLU 52 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1o78 n THR 53 N -0.85 0.00 -1.50 2.62 -1.04 0.60 -4.29 114.28 109.82 1o78 n THR 53 Ca 0.00 0.00 -0.48 0.00 -2.04 0.00 0.00 64.05 61.53 1o78 n THR 53 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1o78 n THR 53 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1o78 n GLU 54 N 0.00 1.38 -2.91 -2.82 1.02 -1.26 -1.90 120.64 114.15 1o78 n GLU 54 Ca 0.00 0.37 -0.43 0.00 -0.02 0.00 0.00 57.16 57.08 1o78 n GLU 54 Cb 0.00 -2.75 -0.04 0.00 -0.02 0.00 0.00 31.44 28.63 1o78 n GLU 54 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1o78 s ILE 55 N 7.79 4.45 0.23 -3.67 1.01 0.18 -4.92 121.20 126.27 1o78 s ILE 55 Ca 1.07 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 1o78 s ILE 55 Cb -0.66 -4.57 -0.09 0.00 0.01 0.00 0.00 42.46 37.15 1o78 s ILE 55 CO 0.44 -1.23 1.07 0.54 0.00 0.00 0.00 174.94 175.75 1o78 s ASN 56 N 3.27 7.34 0.49 3.58 4.22 -1.26 0.17 114.94 132.75 1o78 s ASN 56 Ca 0.23 2.13 -0.22 0.00 -2.14 0.00 0.00 52.86 52.86 1o78 s ASN 56 Cb -0.16 -2.61 -0.08 0.00 1.28 0.00 0.00 41.25 39.67 1o78 s ASN 56 CO 0.13 -0.12 1.02 0.00 -2.04 0.00 0.00 177.10 176.10 1o78 n ALA 57 N 1.75 0.34 0.01 3.54 0.00 0.31 -4.70 120.51 121.76 1o78 n ALA 57 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 1o78 n ALA 57 Cb 0.46 -2.12 -0.00 0.00 0.00 0.00 0.00 19.45 17.79 1o78 n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1o78 h PRO 58 N 1.21 0.58 -3.29 0.00 0.13 -1.92 -2.18 132.00 126.53 1o78 h PRO 58 Ca -0.47 -0.45 -0.04 0.00 -0.87 0.00 0.00 66.00 64.17 1o78 h PRO 58 Cb 1.34 0.09 -0.12 0.00 0.13 0.00 0.00 31.00 32.44 1o78 h PRO 58 CO 0.55 1.07 0.01 0.99 -0.23 0.00 0.00 178.00 180.39 1o78 s THR 59 N -3.74 0.04 0.44 1.56 2.01 -1.26 -4.73 115.64 109.95 1o78 s THR 59 Ca -0.08 -0.48 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 1o78 s THR 59 Cb 0.10 -1.21 -0.09 0.00 0.01 0.00 0.00 72.50 71.31 1o78 s THR 59 CO 0.86 -0.20 1.36 0.47 -0.69 0.00 0.00 174.62 176.42 1o78 n ASP 60 N -0.28 3.00 0.00 3.53 9.92 -1.26 -4.36 116.55 127.10 1o78 n ASP 60 Ca -0.15 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.23 1o78 n ASP 60 Cb 0.64 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 1o78 n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1o78 n GLY 61 N 0.68 -0.87 3.13 0.44 0.00 -0.47 -4.94 105.19 103.16 1o78 n GLY 61 Ca 0.06 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 1o78 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o78 s LYS 62 N -1.00 0.76 0.12 1.61 2.20 -1.26 0.03 119.74 122.20 1o78 s LYS 62 Ca 0.00 -0.82 -0.25 0.00 -0.36 0.00 0.00 55.97 54.54 1o78 s LYS 62 Cb 0.00 -0.71 -0.07 0.00 -1.51 0.00 0.00 37.83 35.54 1o78 s LYS 62 CO 0.00 0.16 0.76 0.08 -0.36 0.00 0.00 175.35 175.99 1o78 s VAL 63 N -1.14 4.52 -0.13 4.02 1.01 -1.09 -3.50 120.40 124.09 1o78 s VAL 63 Ca -0.03 1.64 0.18 0.00 0.00 0.00 0.00 61.98 63.78 1o78 s VAL 63 Cb -0.09 -4.11 -0.20 0.00 0.00 0.00 0.00 36.38 31.98 1o78 s VAL 63 CO 0.01 0.47 0.58 -0.62 0.00 0.00 0.00 175.10 175.55 1o78 n GLU 64 N 2.01 0.64 0.00 2.72 1.02 -0.99 -2.64 120.64 123.40 1o78 n GLU 64 Ca -0.05 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1o78 n GLU 64 Cb 0.49 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1o78 n GLU 64 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1o78 n LYS 65 N -2.72 0.00 -3.39 3.49 2.85 -1.26 -4.70 118.16 112.43 1o78 n LYS 65 Ca -0.14 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.75 1o78 n LYS 65 Cb 0.85 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 35.17 1o78 n LYS 65 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1o78 s VAL 66 N -0.75 5.22 -0.24 0.58 0.11 -1.26 -1.93 120.40 122.14 1o78 s VAL 66 Ca 0.00 0.82 -0.17 0.00 -2.93 0.00 0.00 61.98 59.70 1o78 s VAL 66 Cb 0.00 -3.75 -0.14 0.00 -1.53 0.00 0.00 36.38 30.95 1o78 s VAL 66 CO 0.00 0.36 -0.12 0.18 -3.33 0.00 0.00 175.10 172.19 1o78 n LEU 67 N 3.58 1.91 -4.54 2.54 4.77 -0.32 -4.96 117.00 119.97 1o78 n LEU 67 Ca -0.09 0.38 -0.31 0.00 -0.03 0.00 0.00 56.01 55.97 1o78 n LEU 67 Cb 0.52 -0.88 0.18 0.00 -2.33 0.00 0.00 43.42 40.91 1o78 n LEU 67 CO 0.42 0.38 0.41 0.55 -1.33 0.00 0.00 177.39 177.81 1o78 n VAL 68 N -4.35 0.00 -4.17 4.08 3.14 0.00 -5.02 118.33 112.02 1o78 n VAL 68 Ca -0.42 -0.17 -0.10 0.00 -2.96 0.00 0.00 64.34 60.68 1o78 n VAL 68 Cb 0.77 -0.90 -0.10 0.00 -1.06 0.00 0.00 33.84 32.54 1o78 n VAL 68 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1o78 s LYS 69 N -4.31 0.83 0.61 1.45 2.20 -1.26 -5.05 119.74 114.21 1o78 s LYS 69 Ca 0.65 -1.34 -0.15 0.00 -0.36 0.00 0.00 55.97 54.77 1o78 s LYS 69 Cb -0.22 -0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 35.90 1o78 s LYS 69 CO 0.62 -0.04 1.06 -2.00 -0.36 0.00 0.00 175.35 174.64 1o78 s GLU 70 N -3.85 3.23 -1.67 4.03 2.12 -1.26 -3.33 118.70 117.97 1o78 s GLU 70 Ca 0.12 1.20 0.00 0.00 0.36 0.00 0.00 54.97 56.65 1o78 s GLU 70 Cb 0.06 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.43 1o78 s GLU 70 CO -0.05 -0.88 0.00 -2.13 -0.54 0.00 0.00 175.26 171.66 1o78 n ARG 71 N -2.17 -1.76 -3.89 4.30 0.63 -1.26 -4.95 116.66 107.56 1o78 n ARG 71 Ca 0.09 0.94 -0.35 0.00 -0.92 0.00 0.00 57.85 57.61 1o78 n ARG 71 Cb 0.53 -5.56 -0.14 0.00 0.45 0.00 0.00 32.46 27.74 1o78 n ARG 71 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1o78 s ASP 72 N -2.11 4.74 0.54 6.15 2.15 -1.21 -4.97 116.67 121.96 1o78 s ASP 72 Ca 0.00 -0.99 0.08 0.00 0.43 0.00 0.00 52.55 52.06 1o78 s ASP 72 Cb 0.00 -1.74 0.05 0.00 -0.30 0.00 0.00 42.92 40.93 1o78 s ASP 72 CO 0.00 -0.20 0.57 0.00 -0.17 0.00 0.00 175.17 175.37 1o78 s ALA 73 N 1.34 4.51 -1.12 3.66 0.00 -1.26 -2.40 121.76 126.49 1o78 s ALA 73 Ca -0.01 -1.71 -0.20 0.00 0.00 0.00 0.00 51.96 50.04 1o78 s ALA 73 Cb -0.18 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 21.87 1o78 s ALA 73 CO -0.01 -0.59 0.38 1.33 0.00 0.00 0.00 175.76 176.86 1o78 n VAL 74 N -1.94 -1.73 -3.26 0.00 0.24 0.36 -4.80 118.33 107.20 1o78 n VAL 74 Ca 0.06 -0.47 -0.25 0.00 -2.04 0.00 0.00 64.34 61.65 1o78 n VAL 74 Cb 0.63 -1.51 -0.08 0.00 -1.47 0.00 0.00 33.84 31.41 1o78 n VAL 74 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1o78 n GLN 75 N -4.31 0.93 -4.31 7.34 -0.00 -1.26 -4.80 117.38 110.98 1o78 n GLN 75 Ca -0.16 -3.44 -0.26 0.00 -0.00 0.00 0.00 57.00 53.15 1o78 n GLN 75 Cb 0.51 -1.42 -0.09 0.00 -0.00 0.00 0.00 30.24 29.24 1o78 n GLN 75 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1o78 s GLY 76 N -1.24 2.33 0.00 2.61 0.00 -0.37 -4.69 107.32 105.96 1o78 s GLY 76 Ca 0.35 -2.13 0.00 0.00 0.00 0.00 0.00 44.72 42.94 1o78 s GLY 76 CO -0.11 -1.96 0.00 0.61 0.00 0.00 0.00 173.10 171.64 1o78 n GLY 77 N -1.10 2.64 3.86 0.20 0.00 -1.11 -4.68 105.19 105.01 1o78 n GLY 77 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1o78 n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1o78 s GLN 78 N -0.03 3.17 0.27 1.61 -0.21 -1.26 -4.54 119.66 118.66 1o78 s GLN 78 Ca 0.00 -0.65 -0.30 0.00 0.02 0.00 0.00 55.36 54.43 1o78 s GLN 78 Cb 0.00 -2.85 -0.13 0.00 1.00 0.00 0.00 33.01 31.03 1o78 s GLN 78 CO 0.00 0.54 1.34 0.41 -2.12 0.00 0.00 175.29 175.46 1o78 n GLY 79 N -0.05 0.63 0.10 3.09 0.00 -1.26 -2.67 105.19 105.03 1o78 n GLY 79 Ca -0.07 0.43 -0.19 0.00 0.00 0.00 0.00 46.02 46.19 1o78 n GLY 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1o78 h LEU 80 N 3.55 0.00 -7.95 0.99 3.38 -1.04 -3.38 115.31 110.85 1o78 h LEU 80 Ca -0.45 -0.50 -0.35 0.00 0.09 0.00 0.00 57.88 56.68 1o78 h LEU 80 Cb 1.28 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.75 1o78 h LEU 80 CO 0.71 1.36 -0.76 0.27 0.09 0.00 0.00 178.44 180.11 1o78 s ILE 81 N -2.33 0.51 -0.07 1.22 -5.25 -1.26 -0.82 121.20 113.21 1o78 s ILE 81 Ca -0.26 -0.28 -0.16 0.00 -0.99 0.00 0.00 60.65 58.97 1o78 s ILE 81 Cb 0.05 -0.43 -0.05 0.00 2.95 0.00 0.00 42.46 44.97 1o78 s ILE 81 CO 0.56 0.15 0.40 -0.75 -1.79 0.00 0.00 174.94 173.51 1o78 s LYS 82 N -0.15 4.11 -0.02 0.37 2.36 -0.81 -3.13 119.74 122.47 1o78 s LYS 82 Ca 0.02 0.35 -0.08 0.00 -2.55 0.00 0.00 55.97 53.71 1o78 s LYS 82 Cb -0.03 -3.33 0.01 0.00 -1.05 0.00 0.00 37.83 33.43 1o78 s LYS 82 CO -0.00 0.43 0.18 -1.50 1.55 0.00 0.00 175.35 176.01 1o78 s ILE 83 N -0.22 0.06 0.00 5.43 2.07 -1.26 -2.36 121.20 124.92 1o78 s ILE 83 Ca 0.23 -0.46 0.00 0.00 -1.41 0.00 0.00 60.65 59.01 1o78 s ILE 83 Cb -0.15 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.01 1o78 s ILE 83 CO 0.10 -0.25 0.00 0.61 -1.91 0.00 0.00 174.94 173.49