#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o78 h LYS 2 N 0.00 -0.31 0.00 2.12 3.64 -2.14 -3.47 116.57 116.40 1o78 h LYS 2 Ca 0.00 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1o78 h LYS 2 Cb 0.00 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1o78 h LYS 2 CO 0.00 -0.14 -0.03 1.28 -2.27 0.00 0.00 179.45 178.29 1o78 n LEU 3 N -4.99 0.00 0.05 5.20 4.77 -1.26 -5.09 117.00 115.68 1o78 n LEU 3 Ca -0.05 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1o78 n LEU 3 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1o78 n LEU 3 CO 0.13 -0.25 -0.11 1.17 -1.33 0.00 0.00 177.39 177.00 1o78 n LYS 4 N -0.55 0.00 -1.69 3.23 3.00 -1.26 -5.15 118.16 115.73 1o78 n LYS 4 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1o78 n LYS 4 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 35.03 34.90 1o78 n LYS 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1o78 n VAL 5 N -3.04 -5.54 -1.25 3.15 0.31 -1.26 -4.71 118.33 105.99 1o78 n VAL 5 Ca 0.00 2.53 -0.31 0.00 -0.01 0.00 0.00 64.34 66.55 1o78 n VAL 5 Cb 0.11 -3.44 0.10 0.00 -0.91 0.00 0.00 33.84 29.70 1o78 n VAL 5 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1o78 n THR 6 N -0.57 3.45 -1.41 2.52 -2.24 -1.26 -4.24 114.28 110.53 1o78 n THR 6 Ca 0.00 -2.56 0.05 0.00 -2.27 0.00 0.00 64.05 59.27 1o78 n THR 6 Cb 0.00 -0.99 0.08 0.00 -2.10 0.00 0.00 70.33 67.31 1o78 n THR 6 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1o78 n VAL 7 N -0.89 1.06 -3.48 2.28 0.31 -1.26 -5.06 118.33 111.30 1o78 n VAL 7 Ca 0.60 -1.27 -0.34 0.00 -0.01 0.00 0.00 64.34 63.31 1o78 n VAL 7 Cb 0.91 0.11 -0.05 0.00 -0.91 0.00 0.00 33.84 33.89 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 -2.01 6.69 0.00 4.52 3.84 -1.26 -5.03 114.94 121.69 1o78 s ASN 8 Ca 0.18 0.89 0.00 0.00 0.21 0.00 0.00 52.86 54.14 1o78 s ASN 8 Cb 0.15 -2.22 0.00 0.00 -0.55 0.00 0.00 41.25 38.64 1o78 s ASN 8 CO 0.02 0.10 0.00 0.61 -2.79 0.00 0.00 177.10 175.04 1o78 n GLY 9 N 0.66 3.94 3.11 1.21 0.00 -1.26 -5.14 105.19 107.71 1o78 n GLY 9 Ca -0.05 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 1o78 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o78 s ALA 10 N -2.00 1.57 0.00 4.61 0.00 -1.26 -5.04 121.76 119.64 1o78 s ALA 10 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1o78 s ALA 10 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1o78 s ALA 10 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1o78 n GLY 11 N 3.53 0.11 1.09 0.00 0.00 -1.26 -5.11 105.19 103.55 1o78 n GLY 11 Ca -0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1o78 n GLY 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o78 n LYS 12 N -1.69 -2.17 -1.77 1.61 3.00 -1.16 -4.55 118.16 111.43 1o78 n LYS 12 Ca 0.00 1.47 0.00 0.00 -0.00 0.00 0.00 58.31 59.78 1o78 n LYS 12 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 35.03 32.37 1o78 n LYS 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1o78 n ALA 13 N -2.06 0.00 -3.00 3.14 0.00 -1.25 -0.38 120.51 116.96 1o78 n ALA 13 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1o78 n ALA 13 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 4.86 2.87 3.47 0.00 0.00 -1.26 -4.94 105.19 110.19 1o78 n GLY 14 Ca 0.00 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 1o78 n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1o78 n GLU 15 N 0.00 2.69 0.00 1.61 1.02 -1.26 -2.92 120.64 121.78 1o78 n GLU 15 Ca 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 1o78 n GLU 15 Cb 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 31.44 27.91 1o78 n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o78 n GLY 16 N 5.31 0.55 4.00 0.62 0.00 -1.26 -4.94 105.19 109.47 1o78 n GLY 16 Ca 0.48 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 1o78 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o78 s GLU 17 N 0.00 2.69 -0.07 1.61 8.01 -1.15 -3.01 118.70 126.78 1o78 s GLU 17 Ca 0.00 -1.10 0.04 0.00 0.01 0.00 0.00 54.97 53.92 1o78 s GLU 17 Cb 0.00 -2.65 0.00 0.00 -4.31 0.00 0.00 34.13 27.17 1o78 s GLU 17 CO 0.00 -0.47 -0.18 0.42 0.01 0.00 0.00 175.26 175.03 1o78 s ILE 18 N -2.52 1.59 0.10 -1.63 1.09 -1.26 -4.59 121.20 113.98 1o78 s ILE 18 Ca 0.56 -0.77 -0.30 0.00 -1.10 0.00 0.00 60.65 59.04 1o78 s ILE 18 Cb -0.10 -1.39 -0.06 0.00 -1.06 0.00 0.00 42.46 39.85 1o78 s ILE 18 CO 0.35 0.45 1.18 -2.16 -0.10 0.00 0.00 174.94 174.66 1o78 s PRO 19 N 0.30 4.47 0.29 2.79 0.04 -1.24 0.16 135.00 141.80 1o78 s PRO 19 Ca -0.12 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1o78 s PRO 19 Cb -0.15 -3.32 -0.13 0.00 0.04 0.00 0.00 34.50 30.94 1o78 s PRO 19 CO 0.05 -0.17 1.36 0.00 0.04 0.00 0.00 177.00 178.28 1o78 n ALA 20 N 3.46 1.28 -2.44 8.56 0.00 -0.97 -4.68 120.51 125.72 1o78 n ALA 20 Ca 0.07 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.47 1o78 n ALA 20 Cb 0.46 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 1o78 n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1o78 s PRO 21 N -1.11 3.86 -1.41 0.00 0.04 -1.26 -2.81 135.00 132.31 1o78 s PRO 21 Ca 0.62 1.13 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 1o78 s PRO 21 Cb -0.60 -3.89 0.01 0.00 0.04 0.00 0.00 34.50 30.06 1o78 s PRO 21 CO 0.55 -1.20 0.52 1.28 0.04 0.00 0.00 177.00 178.19 1o78 n LEU 22 N 7.77 -2.38 0.00 -3.56 7.99 -1.26 -4.61 117.00 120.96 1o78 n LEU 22 Ca 0.15 -0.96 0.00 0.00 -0.01 0.00 0.00 56.01 55.18 1o78 n LEU 22 Cb 0.47 -2.31 0.00 0.00 -0.11 0.00 0.00 43.42 41.47 1o78 n LEU 22 CO 0.65 0.42 0.00 0.00 -1.51 0.00 0.00 177.39 176.95 1o78 n ALA 23 N -4.39 0.00 0.00 -1.18 0.00 -1.25 -4.82 120.51 108.88 1o78 n ALA 23 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1o78 n ALA 23 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1o78 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o78 n GLY 24 N 0.00 2.47 3.23 0.00 0.00 -1.26 -4.77 105.19 104.87 1o78 n GLY 24 Ca 0.00 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 1o78 n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o78 s THR 25 N -1.79 3.32 -0.37 2.61 -4.23 -1.26 -0.61 115.64 113.30 1o78 s THR 25 Ca 0.00 -1.11 -0.29 0.00 -1.18 0.00 0.00 61.69 59.12 1o78 s THR 25 Cb 0.00 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 71.04 1o78 s THR 25 CO 0.00 -0.01 1.32 -0.69 -0.54 0.00 0.00 174.62 174.70 1o78 s VAL 26 N 1.35 4.06 -0.31 2.29 1.01 -1.00 -2.06 120.40 125.75 1o78 s VAL 26 Ca -0.02 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.16 1o78 s VAL 26 Cb -0.18 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1o78 s VAL 26 CO -0.00 -0.67 0.28 -0.24 0.00 0.00 0.00 175.10 174.47 1o78 n SER 27 N 8.13 0.37 -3.57 3.32 2.88 -1.13 -2.79 113.62 120.83 1o78 n SER 27 Ca 0.15 -0.68 -0.10 0.00 -1.33 0.00 0.00 58.87 56.90 1o78 n SER 27 Cb 0.47 0.92 -0.05 0.00 -0.75 0.00 0.00 64.21 64.81 1o78 n SER 27 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1o78 s LYS 28 N -1.46 0.63 0.04 -1.46 2.47 -1.24 -4.95 119.74 113.77 1o78 s LYS 28 Ca 0.03 0.10 0.07 0.00 -1.56 0.00 0.00 55.97 54.60 1o78 s LYS 28 Cb 0.04 0.30 -0.02 0.00 -1.46 0.00 0.00 37.83 36.68 1o78 s LYS 28 CO 0.22 -0.21 -0.19 -1.50 0.16 0.00 0.00 175.35 173.84 1o78 s ILE 29 N -1.34 1.50 -0.17 5.43 2.07 -1.26 -0.68 121.20 126.75 1o78 s ILE 29 Ca -0.01 -1.15 -0.01 0.00 -1.41 0.00 0.00 60.65 58.07 1o78 s ILE 29 Cb -0.00 -1.32 -0.10 0.00 0.13 0.00 0.00 42.46 41.16 1o78 s ILE 29 CO 0.01 0.14 -0.16 0.18 -1.91 0.00 0.00 174.94 173.19 1o78 n LEU 30 N 1.84 2.58 -4.75 8.50 7.99 -0.36 -4.93 117.00 127.87 1o78 n LEU 30 Ca -0.17 -0.02 -0.30 0.00 -0.01 0.00 0.00 56.01 55.51 1o78 n LEU 30 Cb 0.54 -0.56 0.12 0.00 -0.11 0.00 0.00 43.42 43.41 1o78 n LEU 30 CO 0.23 0.68 0.68 0.54 -1.51 0.00 0.00 177.39 178.02 1o78 s VAL 31 N -2.33 2.77 0.10 4.08 0.11 -0.87 -5.01 120.40 119.25 1o78 s VAL 31 Ca -0.23 0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 59.05 1o78 s VAL 31 Cb 0.07 -2.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.05 1o78 s VAL 31 CO 0.36 -0.33 0.05 -0.75 -3.33 0.00 0.00 175.10 171.11 1o78 s LYS 32 N -5.02 0.83 0.23 1.54 2.20 -1.26 -5.04 119.74 113.22 1o78 s LYS 32 Ca 0.63 -1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1o78 s LYS 32 Cb -0.17 0.25 -0.09 0.00 -1.51 0.00 0.00 37.83 36.31 1o78 s LYS 32 CO 0.56 -0.22 1.33 -1.83 -0.36 0.00 0.00 175.35 174.83 1o78 s GLU 33 N -3.99 4.37 -0.21 4.03 -1.05 -1.26 -2.47 118.70 118.11 1o78 s GLU 33 Ca 0.17 2.12 0.00 0.00 -0.15 0.00 0.00 54.97 57.11 1o78 s GLU 33 Cb 0.07 -3.16 0.00 0.00 -0.44 0.00 0.00 34.13 30.60 1o78 s GLU 33 CO -0.03 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.32 1o78 n GLY 34 N 2.09 0.47 3.24 -3.83 0.00 -1.18 -5.02 105.19 100.97 1o78 n GLY 34 Ca 0.05 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1o78 n GLY 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o78 s ASP 35 N -2.96 3.21 -0.20 1.61 2.15 -1.03 -4.91 116.67 114.54 1o78 s ASP 35 Ca 0.00 -0.53 -0.29 0.00 0.43 0.00 0.00 52.55 52.16 1o78 s ASP 35 Cb 0.00 -1.43 -0.01 0.00 -0.30 0.00 0.00 42.92 41.18 1o78 s ASP 35 CO 0.00 0.16 1.27 -0.89 -0.17 0.00 0.00 175.17 175.55 1o78 s THR 36 N 0.34 4.24 0.12 1.71 2.01 -1.26 -2.72 115.64 120.08 1o78 s THR 36 Ca -0.18 1.48 -0.01 0.00 0.31 0.00 0.00 61.69 63.29 1o78 s THR 36 Cb -0.18 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1o78 s THR 36 CO 0.09 -0.23 0.30 0.54 -0.69 0.00 0.00 174.62 174.62 1o78 s VAL 37 N 3.76 5.29 0.20 3.82 0.11 0.24 -4.90 120.40 128.91 1o78 s VAL 37 Ca 0.55 -0.31 0.08 0.00 -2.93 0.00 0.00 61.98 59.37 1o78 s VAL 37 Cb -0.20 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 1o78 s VAL 37 CO 0.17 0.02 0.02 -0.75 -3.33 0.00 0.00 175.10 171.23 1o78 s LYS 38 N -2.80 2.44 0.01 1.54 2.47 -1.26 0.07 119.74 122.21 1o78 s LYS 38 Ca 0.37 -1.15 -0.30 0.00 -1.56 0.00 0.00 55.97 53.33 1o78 s LYS 38 Cb -0.12 -2.35 -0.07 0.00 -1.46 0.00 0.00 37.83 33.83 1o78 s LYS 38 CO 0.27 0.43 1.75 0.00 0.16 0.00 0.00 175.35 177.97 1o78 s ALA 39 N -1.87 3.63 0.00 3.13 0.00 -1.26 -1.93 121.76 123.45 1o78 s ALA 39 Ca 0.29 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1o78 s ALA 39 Cb -0.09 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1o78 s ALA 39 CO 0.19 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 175.00 1o78 n GLY 40 N 4.22 0.46 3.67 0.00 0.00 -0.52 -4.90 105.19 108.11 1o78 n GLY 40 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1o78 n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1o78 s GLN 41 N -0.77 4.28 -0.51 1.61 0.74 -0.81 -4.37 119.66 119.82 1o78 s GLN 41 Ca 0.00 0.92 -0.28 0.00 0.05 0.00 0.00 55.36 56.05 1o78 s GLN 41 Cb 0.00 -3.57 -0.10 0.00 1.10 0.00 0.00 33.01 30.44 1o78 s GLN 41 CO 0.00 -0.31 2.41 2.41 -0.55 0.00 0.00 175.29 179.25 1o78 n THR 42 N 4.72 0.02 0.16 -0.34 -1.04 -1.26 0.15 114.28 116.70 1o78 n THR 42 Ca 0.03 -0.56 0.06 0.00 -2.04 0.00 0.00 64.05 61.54 1o78 n THR 42 Cb 0.49 -2.27 0.06 0.00 -1.82 0.00 0.00 70.33 66.80 1o78 n THR 42 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1o78 h VAL 43 N 7.60 0.48 -3.39 12.58 -1.51 0.76 -3.38 116.25 129.38 1o78 h VAL 43 Ca -0.24 -1.70 -0.04 0.00 -1.23 0.00 0.00 66.70 63.49 1o78 h VAL 43 Cb 1.28 2.18 -0.11 0.00 -2.13 0.00 0.00 31.29 32.51 1o78 h VAL 43 CO 1.15 0.27 -0.04 -0.76 -1.23 0.00 0.00 177.57 176.96 1o78 s LEU 44 N -6.25 0.27 -0.15 4.19 1.43 -1.15 -1.22 118.68 115.80 1o78 s LEU 44 Ca 0.04 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1o78 s LEU 44 Cb 0.07 1.95 0.00 0.00 0.03 0.00 0.00 46.19 48.24 1o78 s LEU 44 CO 0.73 -0.96 -0.18 -0.69 0.23 0.00 0.00 176.35 175.47 1o78 s VAL 45 N -3.86 2.40 0.41 -1.59 1.01 0.14 0.46 120.40 119.37 1o78 s VAL 45 Ca 0.08 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1o78 s VAL 45 Cb 0.00 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1o78 s VAL 45 CO -0.06 0.53 0.56 -0.22 0.00 0.00 0.00 175.10 175.91 1o78 s LEU 46 N 0.81 3.73 -0.49 3.92 2.96 -0.20 -2.83 118.68 126.58 1o78 s LEU 46 Ca -0.06 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 1o78 s LEU 46 Cb -0.15 -2.74 0.16 0.00 0.50 0.00 0.00 46.19 43.96 1o78 s LEU 46 CO -0.01 -0.68 0.36 -1.61 -1.32 0.00 0.00 176.35 173.09 1o78 s GLU 47 N -4.34 1.36 0.00 1.98 0.41 -0.87 -2.19 118.70 115.05 1o78 s GLU 47 Ca 0.51 -2.38 0.00 0.00 -0.41 0.00 0.00 54.97 52.69 1o78 s GLU 47 Cb -0.10 -2.09 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 1o78 s GLU 47 CO 0.33 -1.32 0.00 0.00 -0.49 0.00 0.00 175.26 173.79 1o78 n ALA 48 N 2.78 0.00 0.28 5.21 0.00 -1.26 -4.48 120.51 123.04 1o78 n ALA 48 Ca 0.23 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.85 1o78 n ALA 48 Cb 0.42 0.00 0.96 0.00 0.00 0.00 0.00 19.45 20.83 1o78 n ALA 48 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1o78 h MET 49 N 0.00 0.00 0.00 0.00 2.86 -2.04 0.89 114.93 116.65 1o78 h MET 49 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1o78 h MET 49 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1o78 h MET 49 CO 0.00 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.60 1o78 n LYS 50 N -3.46 0.18 -2.48 1.72 4.01 -1.26 -4.96 118.16 111.91 1o78 n LYS 50 Ca -0.01 0.48 -0.02 0.00 -0.51 0.00 0.00 58.31 58.25 1o78 n LYS 50 Cb 0.21 -1.89 -0.02 0.00 -0.51 0.00 0.00 35.03 32.82 1o78 n LYS 50 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 1o78 n MET 51 N -2.23 -4.41 -3.07 1.97 1.56 0.31 -4.60 117.12 106.63 1o78 n MET 51 Ca 0.01 3.27 -0.07 0.00 -0.27 0.00 0.00 57.70 60.63 1o78 n MET 51 Cb 0.17 -4.37 0.01 0.00 2.15 0.00 0.00 33.22 31.18 1o78 n MET 51 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1o78 n GLU 52 N 1.86 -1.77 -3.56 2.12 2.13 -1.26 -4.96 120.64 115.19 1o78 n GLU 52 Ca -0.18 1.67 -0.37 0.00 0.66 0.00 0.00 57.16 58.94 1o78 n GLU 52 Cb 0.28 -5.22 -0.07 0.00 0.27 0.00 0.00 31.44 26.70 1o78 n GLU 52 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1o78 s THR 53 N -2.76 5.29 -0.37 6.31 2.01 -0.93 -4.96 115.64 120.23 1o78 s THR 53 Ca 0.12 0.55 -0.17 0.00 0.31 0.00 0.00 61.69 62.49 1o78 s THR 53 Cb -0.03 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1o78 s THR 53 CO 0.78 0.43 0.46 -1.61 -0.69 0.00 0.00 174.62 173.99 1o78 s GLU 54 N 0.16 3.46 -0.89 4.92 2.02 -1.26 -1.03 118.70 126.08 1o78 s GLU 54 Ca 0.17 -0.39 -0.24 0.00 0.02 0.00 0.00 54.97 54.53 1o78 s GLU 54 Cb -0.13 -3.85 0.05 0.00 0.10 0.00 0.00 34.13 30.29 1o78 s GLU 54 CO 0.05 -0.68 1.33 0.42 0.02 0.00 0.00 175.26 176.40 1o78 s ILE 55 N 2.26 3.94 0.55 -1.63 1.01 0.17 -4.90 121.20 122.59 1o78 s ILE 55 Ca 0.15 -0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 1o78 s ILE 55 Cb -0.16 -4.96 -0.05 0.00 0.01 0.00 0.00 42.46 37.29 1o78 s ILE 55 CO 0.13 -1.85 1.20 0.20 0.00 0.00 0.00 174.94 174.62 1o78 s ASN 56 N 4.35 5.53 0.51 3.58 -0.87 -1.26 0.13 114.94 126.90 1o78 s ASN 56 Ca 0.40 2.37 -0.22 0.00 -1.57 0.00 0.00 52.86 53.83 1o78 s ASN 56 Cb -0.04 -2.60 -0.06 0.00 -0.02 0.00 0.00 41.25 38.53 1o78 s ASN 56 CO 0.00 -1.36 1.26 0.00 -2.57 0.00 0.00 177.10 174.43 1o78 s ALA 57 N -1.59 2.89 -0.01 0.60 0.00 0.41 -4.62 121.76 119.44 1o78 s ALA 57 Ca 0.73 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 53.61 1o78 s ALA 57 Cb -0.30 -3.47 -0.22 0.00 0.00 0.00 0.00 23.12 19.13 1o78 s ALA 57 CO 0.34 -1.02 1.11 -1.00 0.00 0.00 0.00 175.76 175.18 1o78 h PRO 58 N 1.73 0.33 -3.24 0.00 0.13 -1.89 -1.38 132.00 127.68 1o78 h PRO 58 Ca -0.50 -0.32 -0.13 0.00 -0.87 0.00 0.00 66.00 64.18 1o78 h PRO 58 Cb 1.27 0.08 -0.20 0.00 0.13 0.00 0.00 31.00 32.29 1o78 h PRO 58 CO 0.59 1.00 -0.35 0.99 -0.23 0.00 0.00 178.00 179.99 1o78 s THR 59 N -3.31 0.07 0.54 1.56 2.01 -1.26 -4.70 115.64 110.55 1o78 s THR 59 Ca -0.14 -0.59 -0.21 0.00 0.31 0.00 0.00 61.69 61.07 1o78 s THR 59 Cb 0.03 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 1o78 s THR 59 CO 0.79 -0.32 1.24 1.51 -0.69 0.00 0.00 174.62 177.15 1o78 s ASP 60 N -1.43 5.46 0.00 3.53 -4.77 -1.26 -4.33 116.67 113.87 1o78 s ASP 60 Ca -0.13 2.48 0.00 0.00 -3.30 0.00 0.00 52.55 51.60 1o78 s ASP 60 Cb -0.06 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1o78 s ASP 60 CO 0.03 -1.42 0.00 0.61 0.70 0.00 0.00 175.17 175.09 1o78 n GLY 61 N 0.56 -0.86 3.21 2.12 0.00 0.11 -4.87 105.19 105.46 1o78 n GLY 61 Ca 0.11 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.05 1.42 0.28 1.61 2.20 -1.26 0.81 119.74 123.75 1o78 s LYS 62 Ca 0.00 -0.78 -0.28 0.00 -0.36 0.00 0.00 55.97 54.55 1o78 s LYS 62 Cb 0.00 -1.43 -0.09 0.00 -1.51 0.00 0.00 37.83 34.79 1o78 s LYS 62 CO 0.00 0.38 0.94 0.08 -0.36 0.00 0.00 175.35 176.39 1o78 s VAL 63 N -0.61 4.14 -0.19 4.02 1.01 -1.10 -4.03 120.40 123.64 1o78 s VAL 63 Ca 0.07 1.97 0.08 0.00 0.00 0.00 0.00 61.98 64.09 1o78 s VAL 63 Cb -0.08 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 1o78 s VAL 63 CO 0.00 0.34 0.25 -0.62 0.00 0.00 0.00 175.10 175.08 1o78 n GLU 64 N 1.07 2.28 -3.65 2.72 1.02 -0.62 -3.09 120.64 120.37 1o78 n GLU 64 Ca -0.00 -0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1o78 n GLU 64 Cb 0.48 -1.04 -0.06 0.00 -0.02 0.00 0.00 31.44 30.81 1o78 n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1o78 s LYS 65 N -2.16 0.03 0.52 3.49 -0.14 -1.26 -4.88 119.74 115.34 1o78 s LYS 65 Ca -0.00 0.05 -0.19 0.00 -1.36 0.00 0.00 55.97 54.47 1o78 s LYS 65 Cb 0.06 0.01 -0.07 0.00 -1.68 0.00 0.00 37.83 36.14 1o78 s LYS 65 CO 0.33 -0.01 1.07 0.14 -0.76 0.00 0.00 175.35 176.12 1o78 s VAL 66 N 0.91 3.61 0.13 3.17 -7.23 -1.26 -2.43 120.40 117.29 1o78 s VAL 66 Ca -0.06 0.96 0.00 0.00 -1.81 0.00 0.00 61.98 61.07 1o78 s VAL 66 Cb -0.02 -3.39 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1o78 s VAL 66 CO -0.10 -0.25 0.00 -0.11 -0.31 0.00 0.00 175.10 174.33 1o78 n LEU 67 N -1.22 0.66 -4.87 1.32 0.00 -1.22 -4.89 117.00 106.78 1o78 n LEU 67 Ca 0.10 0.20 -0.31 0.00 0.00 0.00 0.00 56.01 56.00 1o78 n LEU 67 Cb 0.52 -0.12 -0.03 0.00 0.00 0.00 0.00 43.42 43.79 1o78 n LEU 67 CO 0.41 -0.67 0.51 -0.69 0.00 0.00 0.00 177.39 176.95 1o78 s VAL 68 N -2.00 4.72 0.19 1.96 1.01 -0.91 -5.05 120.40 120.32 1o78 s VAL 68 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.76 1o78 s VAL 68 Cb 0.00 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1o78 s VAL 68 CO 0.00 -0.59 0.03 -0.54 0.00 0.00 0.00 175.10 174.01 1o78 s LYS 69 N -3.96 1.17 -1.12 2.72 -0.14 -1.26 -5.04 119.74 112.12 1o78 s LYS 69 Ca 0.53 -1.59 -0.25 0.00 -1.36 0.00 0.00 55.97 53.30 1o78 s LYS 69 Cb -0.10 -0.21 -0.18 0.00 -1.68 0.00 0.00 37.83 35.66 1o78 s LYS 69 CO 0.32 -0.19 2.05 -1.21 -0.76 0.00 0.00 175.35 175.57 1o78 s GLU 70 N -3.96 1.62 0.00 1.68 2.02 -1.26 -3.05 118.70 115.75 1o78 s GLU 70 Ca 0.28 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1o78 s GLU 70 Cb 0.07 -5.07 0.00 0.00 0.10 0.00 0.00 34.13 29.22 1o78 s GLU 70 CO 0.06 -5.00 0.00 0.54 0.02 0.00 0.00 175.26 170.89 1o78 n ARG 71 N 8.21 0.00 -1.67 1.61 1.74 -1.12 -4.92 116.66 120.51 1o78 n ARG 71 Ca 0.43 0.00 -0.50 0.00 -0.77 0.00 0.00 57.85 57.01 1o78 n ARG 71 Cb 0.47 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.86 1o78 n ARG 71 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1o78 n ASP 72 N -1.66 2.83 -4.42 0.55 5.75 -1.17 -4.77 116.55 113.66 1o78 n ASP 72 Ca 0.00 1.05 -0.23 0.00 -0.01 0.00 0.00 54.79 55.60 1o78 n ASP 72 Cb 0.00 -1.32 -0.10 0.00 -1.03 0.00 0.00 41.12 38.67 1o78 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o78 s ALA 73 N 2.34 2.45 -1.49 2.12 0.00 -1.26 -2.37 121.76 123.55 1o78 s ALA 73 Ca 0.88 -1.75 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1o78 s ALA 73 Cb -0.80 -0.22 0.14 0.00 0.00 0.00 0.00 23.12 22.25 1o78 s ALA 73 CO 0.49 0.24 0.36 1.33 0.00 0.00 0.00 175.76 178.18 1o78 n VAL 74 N -0.34 -0.23 -3.83 0.00 0.24 0.22 -4.83 118.33 109.56 1o78 n VAL 74 Ca -0.08 -0.11 -0.34 0.00 -2.04 0.00 0.00 64.34 61.77 1o78 n VAL 74 Cb 0.59 -0.53 -0.12 0.00 -1.47 0.00 0.00 33.84 32.31 1o78 n VAL 74 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1o78 s GLN 75 N -6.31 2.14 0.07 7.34 0.74 -1.25 -4.71 119.66 117.68 1o78 s GLN 75 Ca 0.51 -2.32 -0.00 0.00 0.05 0.00 0.00 55.36 53.59 1o78 s GLN 75 Cb -0.30 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.25 1o78 s GLN 75 CO 0.85 -1.10 0.23 0.20 -0.55 0.00 0.00 175.29 174.92 1o78 s GLY 76 N 0.69 2.18 0.00 2.59 0.00 -1.26 -4.31 107.32 107.22 1o78 s GLY 76 Ca 0.14 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1o78 s GLY 76 CO -0.03 -0.79 0.00 0.61 0.00 0.00 0.00 173.10 172.89 1o78 n GLY 77 N 0.24 0.63 3.92 0.20 0.00 -1.12 -4.78 105.19 104.28 1o78 n GLY 77 Ca -0.05 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1o78 n GLY 77 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1o78 s GLN 78 N -0.82 3.47 -0.40 1.61 0.74 -1.26 -2.99 119.66 120.00 1o78 s GLN 78 Ca 0.00 -0.40 -0.28 0.00 0.05 0.00 0.00 55.36 54.74 1o78 s GLN 78 Cb 0.00 -3.01 -0.03 0.00 1.10 0.00 0.00 33.01 31.07 1o78 s GLN 78 CO 0.00 0.58 1.94 0.20 -0.55 0.00 0.00 175.29 177.47 1o78 s GLY 79 N -2.54 0.46 0.00 2.59 0.00 0.48 -2.30 107.32 106.02 1o78 s GLY 79 Ca 0.36 0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1o78 s GLY 79 CO 0.28 3.48 0.50 1.04 0.00 0.00 0.00 173.10 178.40 1o78 n LEU 80 N 11.76 0.00 -3.94 0.66 4.77 0.41 -4.19 117.00 126.47 1o78 n LEU 80 Ca 0.25 0.50 -0.08 0.00 -0.03 0.00 0.00 56.01 56.65 1o78 n LEU 80 Cb 0.49 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1o78 n LEU 80 CO 0.69 -0.00 -0.19 -0.63 -1.33 0.00 0.00 177.39 175.93 1o78 s ILE 81 N -1.01 0.17 -0.04 -0.08 1.01 -1.26 -2.15 121.20 117.84 1o78 s ILE 81 Ca 0.00 -1.41 -0.21 0.00 0.00 0.00 0.00 60.65 59.03 1o78 s ILE 81 Cb 0.00 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 1o78 s ILE 81 CO 0.00 -0.76 0.62 -0.75 0.00 0.00 0.00 174.94 174.05 1o78 s LYS 82 N -3.89 4.37 -0.11 2.79 2.20 -1.02 -4.01 119.74 120.06 1o78 s LYS 82 Ca 0.06 0.75 0.23 0.00 -0.36 0.00 0.00 55.97 56.64 1o78 s LYS 82 Cb 0.06 -3.39 0.45 0.00 -1.51 0.00 0.00 37.83 33.44 1o78 s LYS 82 CO -0.10 0.24 1.16 0.44 -0.36 0.00 0.00 175.35 176.72 1o78 n ILE 83 N 3.21 0.73 0.00 5.43 -5.35 -1.16 -1.59 119.36 120.63 1o78 n ILE 83 Ca -0.05 -1.95 0.00 0.00 -0.27 0.00 0.00 62.75 60.48 1o78 n ILE 83 Cb 0.51 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 1o78 n ILE 83 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40