#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6b n SER 2 N 0.00 -1.06 -1.58 1.61 2.88 -1.26 -5.08 113.62 109.13 1x6b n SER 2 Ca 0.00 -2.53 0.00 0.00 -1.33 0.00 0.00 58.87 55.01 1x6b n SER 2 Cb 0.00 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1x6b n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x6b n SER 3 N 2.68 -8.41 -3.14 -3.46 2.88 -1.26 -4.99 113.62 97.91 1x6b n SER 3 Ca 0.26 1.18 -0.18 0.00 -1.33 0.00 0.00 58.87 58.81 1x6b n SER 3 Cb 0.50 -4.38 0.13 0.00 -0.75 0.00 0.00 64.21 59.71 1x6b n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6b n GLY 4 N -0.13 -1.49 3.63 0.46 0.00 -1.26 -5.11 105.19 101.30 1x6b n GLY 4 Ca 0.00 -1.67 -0.01 0.00 0.00 0.00 0.00 46.02 44.34 1x6b n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6b s SER 5 N -3.87 -0.01 -0.46 1.61 0.01 -1.26 -5.12 113.70 104.60 1x6b s SER 5 Ca 0.45 -0.00 0.07 0.00 1.31 0.00 0.00 55.95 57.78 1x6b s SER 5 Cb -0.01 0.02 0.18 0.00 0.21 0.00 0.00 66.02 66.42 1x6b s SER 5 CO 0.32 -0.03 0.67 -0.94 0.41 0.00 0.00 173.24 173.68 1x6b s SER 6 N -2.20 -1.43 0.00 2.44 1.04 -1.26 -5.13 113.70 107.16 1x6b s SER 6 Ca 0.12 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1x6b s SER 6 Cb 0.01 1.89 0.00 0.00 0.10 0.00 0.00 66.02 68.02 1x6b s SER 6 CO -0.03 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1x6b n GLY 7 N 3.70 1.67 3.84 7.32 0.00 -1.26 -5.15 105.19 115.31 1x6b n GLY 7 Ca 0.15 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1x6b n GLY 7 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6b s TRP 8 N -0.58 3.38 0.14 1.61 0.52 -1.26 -4.97 118.94 117.78 1x6b s TRP 8 Ca 0.00 1.44 -0.19 0.00 0.02 0.00 0.00 56.10 57.37 1x6b s TRP 8 Cb 0.00 -2.74 -0.00 0.00 -1.15 0.00 0.00 33.47 29.58 1x6b s TRP 8 CO 0.00 -0.16 1.71 -0.56 0.02 0.00 0.00 176.95 177.95 1x6b h GLN 9 N 1.56 0.03 0.00 4.98 3.07 -2.05 -3.47 115.11 119.24 1x6b h GLN 9 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1x6b h GLN 9 Cb 1.18 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.73 1x6b h GLN 9 CO 0.62 0.02 0.00 0.41 0.09 0.00 0.00 178.83 179.97 1x6b n GLY 10 N -1.21 -0.85 2.72 0.06 0.00 -1.26 -5.07 105.19 99.58 1x6b n GLY 10 Ca -0.01 0.40 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 1x6b n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x6b n LEU 11 N 0.00 -7.63 -3.76 0.99 4.77 -1.26 -5.06 117.00 105.04 1x6b n LEU 11 Ca 0.00 0.82 -0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1x6b n LEU 11 Cb 0.00 -3.25 -0.08 0.00 -2.33 0.00 0.00 43.42 37.76 1x6b n LEU 11 CO 0.00 -2.52 0.02 -0.44 -1.33 0.00 0.00 177.39 173.12 1x6b s SER 12 N -2.16 -0.15 -0.26 -1.43 0.01 -1.26 -5.14 113.70 103.32 1x6b s SER 12 Ca 0.15 -0.08 -0.09 0.00 1.31 0.00 0.00 55.95 57.24 1x6b s SER 12 Cb -0.04 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 1x6b s SER 12 CO 0.73 -0.54 0.13 -0.44 0.41 0.00 0.00 173.24 173.53 1x6b s SER 13 N -1.74 5.63 -0.08 2.44 0.01 -1.26 -5.05 113.70 113.65 1x6b s SER 13 Ca -0.09 -0.08 -0.32 0.00 1.31 0.00 0.00 55.95 56.78 1x6b s SER 13 Cb -0.03 -2.03 0.12 0.00 0.21 0.00 0.00 66.02 64.29 1x6b s SER 13 CO -0.00 -0.02 1.09 -1.59 0.41 0.00 0.00 173.24 173.13 1x6b s LYS 14 N 1.56 0.56 0.00 12.44 0.00 -1.26 -5.11 119.74 127.94 1x6b s LYS 14 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 55.97 55.80 1x6b s LYS 14 Cb -0.15 0.24 0.00 0.00 0.00 0.00 0.00 37.83 37.92 1x6b s LYS 14 CO 0.07 -0.25 0.00 0.41 0.00 0.00 0.00 175.35 175.58 1x6b n GLY 15 N -0.22 -1.06 0.68 0.59 0.00 -1.26 -4.98 105.19 98.95 1x6b n GLY 15 Ca -0.04 0.39 0.06 0.00 0.00 0.00 0.00 46.02 46.43 1x6b n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x6b n ASP 16 N -0.57 1.64 -4.40 1.61 8.00 -1.26 -5.07 116.55 116.50 1x6b n ASP 16 Ca 0.00 -3.73 -0.34 0.00 0.71 0.00 0.00 54.79 51.43 1x6b n ASP 16 Cb 0.00 -0.51 0.10 0.00 -0.02 0.00 0.00 41.12 40.69 1x6b n ASP 16 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1x6b n LEU 17 N -0.97 -0.29 -4.76 0.64 4.77 -1.26 -4.91 117.00 110.22 1x6b n LEU 17 Ca 0.18 0.39 -0.39 0.00 -0.03 0.00 0.00 56.01 56.16 1x6b n LEU 17 Cb 0.73 -1.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 1x6b n LEU 17 CO -0.04 -3.64 0.77 -2.16 -1.33 0.00 0.00 177.39 170.99 1x6b s PRO 18 N -3.29 4.52 -0.00 3.23 0.04 -1.26 -4.89 135.00 133.33 1x6b s PRO 18 Ca 0.58 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.37 1x6b s PRO 18 Cb -0.25 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1x6b s PRO 18 CO 0.66 0.13 -0.16 -0.65 0.04 0.00 0.00 177.00 177.01 1x6b s GLN 19 N -1.73 1.28 -0.00 4.56 -0.21 -1.26 -0.85 119.66 121.44 1x6b s GLN 19 Ca 0.48 -0.63 0.04 0.00 0.02 0.00 0.00 55.36 55.28 1x6b s GLN 19 Cb -0.29 -1.26 -0.01 0.00 1.00 0.00 0.00 33.01 32.45 1x6b s GLN 19 CO 0.37 0.34 -0.14 0.14 -2.12 0.00 0.00 175.29 173.88 1x6b s VAL 20 N -0.46 1.11 -0.31 1.09 -7.23 -1.18 -2.25 120.40 111.17 1x6b s VAL 20 Ca 0.06 -0.65 -0.16 0.00 -1.81 0.00 0.00 61.98 59.41 1x6b s VAL 20 Cb -0.07 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 1x6b s VAL 20 CO -0.00 0.27 0.42 -0.70 -0.31 0.00 0.00 175.10 174.79 1x6b s GLU 21 N -0.44 3.82 -0.28 4.82 2.12 -1.08 -3.08 118.70 124.58 1x6b s GLU 21 Ca 0.05 -0.08 -0.28 0.00 0.36 0.00 0.00 54.97 55.02 1x6b s GLU 21 Cb -0.06 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 1x6b s GLU 21 CO -0.00 -0.44 1.96 0.42 -0.54 0.00 0.00 175.26 176.66 1x6b s ILE 22 N 2.17 3.30 0.22 -3.70 -1.09 -0.94 -1.76 121.20 119.41 1x6b s ILE 22 Ca 0.16 0.31 -0.05 0.00 -2.23 0.00 0.00 60.65 58.83 1x6b s ILE 22 Cb -0.16 -3.40 0.08 0.00 -1.58 0.00 0.00 42.46 37.41 1x6b s ILE 22 CO 0.11 -0.25 1.69 0.71 -1.23 0.00 0.00 174.94 175.97 1x6b h THR 23 N 6.92 1.26 -3.98 2.92 1.35 -1.81 1.71 112.91 121.28 1x6b h THR 23 Ca -0.37 -1.11 -0.19 0.00 -0.55 0.00 0.00 66.41 64.19 1x6b h THR 23 Cb 1.20 0.87 -0.21 0.00 -1.73 0.00 0.00 68.15 68.27 1x6b h THR 23 CO 1.00 0.40 -0.71 -1.59 -0.25 0.00 0.00 175.52 174.37 1x6b s LYS 24 N -4.97 0.36 0.55 4.72 -2.85 -1.26 -4.10 119.74 112.19 1x6b s LYS 24 Ca -0.10 -0.65 -0.19 0.00 -1.00 0.00 0.00 55.97 54.02 1x6b s LYS 24 Cb 0.14 0.04 -0.09 0.00 -2.06 0.00 0.00 37.83 35.86 1x6b s LYS 24 CO 0.84 -0.03 0.60 0.00 0.10 0.00 0.00 175.35 176.86 1x6b n ALA 25 N 1.54 -0.95 -3.66 0.59 0.00 -1.26 -4.63 120.51 112.14 1x6b n ALA 25 Ca -0.24 0.01 -0.28 0.00 0.00 0.00 0.00 53.44 52.94 1x6b n ALA 25 Cb 0.55 -1.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.02 1x6b n ALA 25 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1x6b s PHE 26 N -1.64 2.25 -0.04 0.00 5.36 0.13 -4.92 117.98 119.12 1x6b s PHE 26 Ca 0.69 -2.74 -0.32 0.00 -0.96 0.00 0.00 56.93 53.60 1x6b s PHE 26 Cb -0.46 -1.83 -0.10 0.00 -0.34 0.00 0.00 43.02 40.29 1x6b s PHE 26 CO 0.54 -0.71 1.96 1.19 -1.46 0.00 0.00 175.22 176.75 1x6b n PHE 27 N 2.66 2.38 -2.50 10.12 3.72 -1.26 -2.76 117.46 129.82 1x6b n PHE 27 Ca 0.21 -0.20 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1x6b n PHE 27 Cb 0.40 -2.74 -0.03 0.00 -0.94 0.00 0.00 39.48 36.17 1x6b n PHE 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x6b s ALA 28 N 4.66 3.34 -0.15 4.37 0.00 -1.26 -4.91 121.76 127.81 1x6b s ALA 28 Ca 0.92 0.78 0.07 0.00 0.00 0.00 0.00 51.96 53.73 1x6b s ALA 28 Cb -0.54 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.04 1x6b s ALA 28 CO 0.46 -0.33 -0.05 0.36 0.00 0.00 0.00 175.76 176.19 1x6b n LYS 29 N 3.51 1.12 -1.27 0.00 -0.00 -1.26 -4.93 118.16 115.34 1x6b n LYS 29 Ca 0.07 0.05 -0.13 0.00 -0.00 0.00 0.00 58.31 58.30 1x6b n LYS 29 Cb 0.47 -1.34 0.08 0.00 -0.00 0.00 0.00 35.03 34.24 1x6b n LYS 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1x6b n GLN 30 N -2.75 -0.16 0.00 -1.58 6.02 -1.26 -4.99 117.38 112.66 1x6b n GLN 30 Ca -0.26 -1.18 0.12 0.00 -0.01 0.00 0.00 57.00 55.67 1x6b n GLN 30 Cb 0.88 -0.49 0.16 0.00 1.02 0.00 0.00 30.24 31.82 1x6b n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x6b n ALA 31 N -3.17 3.53 -0.06 -1.58 0.00 -1.26 -3.95 120.51 114.02 1x6b n ALA 31 Ca -0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 53.44 52.81 1x6b n ALA 31 Cb 0.29 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 1x6b n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x6b n ASP 32 N -0.63 1.04 -4.77 0.00 -0.08 -1.26 -4.97 116.55 105.88 1x6b n ASP 32 Ca 0.09 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.99 1x6b n ASP 32 Cb 0.39 1.19 -0.03 0.00 2.34 0.00 0.00 41.12 45.01 1x6b n ASP 32 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1x6b s GLU 33 N -2.66 4.20 0.02 -0.67 2.02 -1.25 -0.27 118.70 120.09 1x6b s GLU 33 Ca -0.07 1.72 0.06 0.00 0.02 0.00 0.00 54.97 56.70 1x6b s GLU 33 Cb 0.07 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 1x6b s GLU 33 CO 0.68 -0.16 -0.17 0.54 0.02 0.00 0.00 175.26 176.16 1x6b s VAL 34 N -1.45 2.83 -0.02 2.63 0.11 -1.22 -4.73 120.40 118.56 1x6b s VAL 34 Ca 0.55 -1.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.20 1x6b s VAL 34 Cb -0.28 -2.18 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 1x6b s VAL 34 CO 0.35 0.38 0.97 -0.89 -3.33 0.00 0.00 175.10 172.58 1x6b s THR 35 N -0.89 4.87 0.22 5.04 2.01 -1.25 -4.26 115.64 121.38 1x6b s THR 35 Ca 0.14 2.02 0.09 0.00 0.31 0.00 0.00 61.69 64.25 1x6b s THR 35 Cb -0.11 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 1x6b s THR 35 CO 0.04 0.15 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.20 1x6b s LEU 36 N 1.11 2.56 0.52 4.42 1.43 -1.11 -4.92 118.68 122.69 1x6b s LEU 36 Ca 0.51 -1.02 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1x6b s LEU 36 Cb -0.21 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1x6b s LEU 36 CO 0.26 -0.11 0.32 -1.10 0.23 0.00 0.00 176.35 175.95 1x6b s GLN 37 N -3.58 2.26 -0.04 1.70 -1.52 -1.26 -0.69 119.66 116.53 1x6b s GLN 37 Ca 0.24 -2.04 -0.30 0.00 -1.95 0.00 0.00 55.36 51.32 1x6b s GLN 37 Cb -0.02 -2.01 -0.04 0.00 -0.22 0.00 0.00 33.01 30.72 1x6b s GLN 37 CO 0.09 -0.51 1.18 -1.14 -0.25 0.00 0.00 175.29 174.67 1x6b s GLN 38 N -4.17 4.38 -0.61 2.91 0.74 -1.26 -3.28 119.66 118.36 1x6b s GLN 38 Ca 0.31 1.67 -0.01 0.00 0.05 0.00 0.00 55.36 57.38 1x6b s GLN 38 Cb -0.01 -3.52 0.00 0.00 1.10 0.00 0.00 33.01 30.58 1x6b s GLN 38 CO 0.19 -0.39 0.51 0.00 -0.55 0.00 0.00 175.29 175.04 1x6b n ALA 39 N 4.93 -0.95 -2.20 1.58 0.00 0.58 -4.97 120.51 119.47 1x6b n ALA 39 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 1x6b n ALA 39 Cb 0.46 -1.67 0.02 0.00 0.00 0.00 0.00 19.45 18.27 1x6b n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6b s ASP 40 N -3.60 4.91 -0.04 0.00 1.11 -1.17 -4.87 116.67 113.01 1x6b s ASP 40 Ca 0.04 -1.00 0.02 0.00 0.18 0.00 0.00 52.55 51.79 1x6b s ASP 40 Cb -0.02 0.26 0.01 0.00 1.07 0.00 0.00 42.92 44.24 1x6b s ASP 40 CO 0.36 -1.17 -0.10 -0.69 1.18 0.00 0.00 175.17 174.75 1x6b s VAL 41 N -2.69 0.90 -0.03 -1.27 1.01 -1.26 -2.20 120.40 114.86 1x6b s VAL 41 Ca 0.48 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1x6b s VAL 41 Cb -0.04 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1x6b s VAL 41 CO 0.30 0.29 -0.00 -0.69 0.00 0.00 0.00 175.10 175.00 1x6b s VAL 42 N 0.38 0.19 -0.46 2.92 1.01 -1.18 -2.64 120.40 120.62 1x6b s VAL 42 Ca -0.07 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 1x6b s VAL 42 Cb -0.11 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1x6b s VAL 42 CO 0.01 0.14 0.86 -0.22 0.00 0.00 0.00 175.10 175.90 1x6b s LEU 43 N 0.96 4.13 0.36 3.92 2.96 0.13 -3.11 118.68 128.03 1x6b s LEU 43 Ca -0.10 -0.04 -0.28 0.00 -0.22 0.00 0.00 54.13 53.49 1x6b s LEU 43 Cb -0.13 -3.05 -0.12 0.00 0.50 0.00 0.00 46.19 43.39 1x6b s LEU 43 CO -0.02 -1.01 1.45 0.52 -1.32 0.00 0.00 176.35 175.97 1x6b n VAL 44 N 6.27 1.87 0.00 1.68 0.31 -0.03 0.19 118.33 128.62 1x6b n VAL 44 Ca 0.04 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1x6b n VAL 44 Cb 0.48 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1x6b n VAL 44 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1x6b n LEU 45 N 0.75 2.37 -3.66 7.52 4.77 0.52 -4.53 117.00 124.75 1x6b n LEU 45 Ca 0.03 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 1x6b n LEU 45 Cb 0.38 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.29 1x6b n LEU 45 CO 0.63 0.39 -0.33 -1.10 -1.33 0.00 0.00 177.39 175.66 1x6b s GLN 46 N -1.91 -0.05 -0.38 3.23 -0.21 -0.72 -4.98 119.66 114.64 1x6b s GLN 46 Ca 0.00 0.33 -0.17 0.00 0.02 0.00 0.00 55.36 55.54 1x6b s GLN 46 Cb 0.00 -0.67 0.00 0.00 1.00 0.00 0.00 33.01 33.34 1x6b s GLN 46 CO 0.00 -0.38 0.46 -0.65 -2.12 0.00 0.00 175.29 172.61 1x6b s GLN 47 N 2.18 3.42 -0.22 2.91 -0.21 -1.26 0.99 119.66 127.47 1x6b s GLN 47 Ca 0.04 -0.42 0.02 0.00 0.02 0.00 0.00 55.36 55.02 1x6b s GLN 47 Cb -0.13 -3.87 0.04 0.00 1.00 0.00 0.00 33.01 30.06 1x6b s GLN 47 CO -0.04 -0.71 -0.16 -2.00 -2.12 0.00 0.00 175.29 170.27 1x6b s GLU 48 N 2.26 2.61 -0.83 2.91 2.12 0.06 -4.99 118.70 122.84 1x6b s GLU 48 Ca 0.15 -1.06 -0.32 0.00 0.36 0.00 0.00 54.97 54.10 1x6b s GLU 48 Cb -0.16 -2.70 -0.20 0.00 0.26 0.00 0.00 34.13 31.33 1x6b s GLU 48 CO 0.13 -0.38 2.40 -0.25 -0.54 0.00 0.00 175.26 176.62 1x6b n ASP 49 N 4.54 0.37 0.00 -1.70 8.00 -1.26 0.16 116.55 126.66 1x6b n ASP 49 Ca -0.18 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1x6b n ASP 49 Cb 0.46 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1x6b n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x6b n GLY 50 N 6.28 3.57 3.02 0.44 0.00 -1.26 -5.06 105.19 112.18 1x6b n GLY 50 Ca 0.59 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 1x6b n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6b s TRP 51 N 0.00 0.64 -0.23 1.61 0.52 0.43 -4.57 118.94 117.32 1x6b s TRP 51 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 56.10 55.86 1x6b s TRP 51 Cb 0.00 -0.40 0.02 0.00 -1.15 0.00 0.00 33.47 31.95 1x6b s TRP 51 CO 0.00 -0.03 -0.09 -0.51 0.02 0.00 0.00 176.95 176.35 1x6b s LEU 52 N -0.69 3.00 0.15 2.99 2.01 0.13 -0.76 118.68 125.51 1x6b s LEU 52 Ca -0.02 -0.82 -0.19 0.00 0.01 0.00 0.00 54.13 53.11 1x6b s LEU 52 Cb -0.05 -1.63 -0.07 0.00 0.01 0.00 0.00 46.19 44.44 1x6b s LEU 52 CO 0.00 -0.10 0.64 -0.47 1.01 0.00 0.00 176.35 177.43 1x6b s TYR 53 N 1.32 3.72 0.07 0.29 5.04 0.28 -0.45 117.35 127.62 1x6b s TYR 53 Ca 0.01 1.31 -0.05 0.00 -2.44 0.00 0.00 57.07 55.90 1x6b s TYR 53 Cb -0.16 -2.54 0.02 0.00 0.35 0.00 0.00 41.96 39.63 1x6b s TYR 53 CO -0.06 0.46 0.24 0.41 -1.34 0.00 0.00 175.55 175.26 1x6b n GLY 54 N 1.15 1.42 2.88 8.97 0.00 -0.96 0.20 105.19 118.85 1x6b n GLY 54 Ca -0.06 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 1x6b n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x6b s GLU 55 N -2.02 1.40 -0.04 1.61 2.12 0.50 -2.06 118.70 120.20 1x6b s GLU 55 Ca 0.05 -0.32 -0.29 0.00 0.36 0.00 0.00 54.97 54.77 1x6b s GLU 55 Cb -0.01 -1.69 -0.08 0.00 0.26 0.00 0.00 34.13 32.61 1x6b s GLU 55 CO 0.02 -0.33 2.02 0.50 -0.54 0.00 0.00 175.26 176.92 1x6b s ARG 56 N 1.71 3.85 0.52 4.30 3.52 0.25 -0.69 118.95 132.42 1x6b s ARG 56 Ca 0.03 2.41 0.35 0.00 -0.13 0.00 0.00 55.73 58.39 1x6b s ARG 56 Cb -0.14 -4.21 1.65 0.00 -1.56 0.00 0.00 34.95 30.69 1x6b s ARG 56 CO -0.08 -1.28 2.04 -0.07 -0.81 0.00 0.00 175.30 175.10 1x6b h LEU 57 N 11.87 0.00 0.10 -0.88 -0.00 -1.82 1.67 115.31 126.24 1x6b h LEU 57 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1x6b h LEU 57 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.88 1x6b h LEU 57 CO 0.95 0.00 -0.23 -0.09 -0.00 0.00 0.00 178.44 179.07 1x6b h ARG 58 N 0.00 -0.35 0.00 1.13 2.43 -1.88 -3.37 114.38 112.34 1x6b h ARG 58 Ca 0.00 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1x6b h ARG 58 Cb 0.26 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1x6b h ARG 58 CO 0.00 -0.23 -1.37 -3.47 -1.51 0.00 0.00 179.97 173.39 1x6b n ASP 59 N -3.74 3.51 0.00 -3.80 2.03 -1.18 -5.01 116.55 108.36 1x6b n ASP 59 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1x6b n ASP 59 Cb 0.19 0.91 0.00 0.00 -0.72 0.00 0.00 41.12 41.50 1x6b n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6b n GLY 60 N 2.43 1.21 3.71 0.27 0.00 0.57 -5.05 105.19 108.32 1x6b n GLY 60 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1x6b n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x6b s GLU 61 N -0.46 4.15 -0.31 1.61 2.12 -1.16 -4.48 118.70 120.16 1x6b s GLU 61 Ca 0.00 2.55 -0.07 0.00 0.36 0.00 0.00 54.97 57.80 1x6b s GLU 61 Cb 0.00 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 31.09 1x6b s GLU 61 CO 0.00 -0.76 0.10 0.99 -0.54 0.00 0.00 175.26 175.05 1x6b s THR 62 N 1.86 4.03 0.16 -1.70 2.01 -1.26 0.87 115.64 121.62 1x6b s THR 62 Ca 0.76 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1x6b s THR 62 Cb -0.47 -3.14 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 1x6b s THR 62 CO 0.33 -0.01 0.21 0.61 -0.69 0.00 0.00 174.62 175.07 1x6b n GLY 63 N 4.88 2.86 3.76 4.40 0.00 -0.88 -4.89 105.19 115.31 1x6b n GLY 63 Ca -0.14 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 1x6b n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6b s TRP 64 N -3.68 3.52 -0.03 1.61 0.52 0.63 -2.27 118.94 119.24 1x6b s TRP 64 Ca 0.15 0.68 0.01 0.00 0.02 0.00 0.00 56.10 56.96 1x6b s TRP 64 Cb -0.00 -2.32 0.02 0.00 -1.15 0.00 0.00 33.47 30.02 1x6b s TRP 64 CO 0.11 0.34 -0.02 -0.59 0.02 0.00 0.00 176.95 176.80 1x6b s PHE 65 N 0.12 0.47 0.56 -1.98 -0.12 0.40 -3.39 117.98 114.04 1x6b s PHE 65 Ca 0.18 -0.08 -0.17 0.00 -0.05 0.00 0.00 56.93 56.82 1x6b s PHE 65 Cb -0.14 -0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 41.72 1x6b s PHE 65 CO 0.06 -0.14 1.04 -1.25 -0.05 0.00 0.00 175.22 174.89 1x6b s PRO 66 N 0.87 3.51 0.16 1.99 0.04 -1.26 0.19 135.00 140.49 1x6b s PRO 66 Ca -0.10 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 1x6b s PRO 66 Cb -0.13 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1x6b s PRO 66 CO -0.01 -0.66 1.40 1.05 0.04 0.00 0.00 177.00 178.83 1x6b h GLU 67 N 0.76 0.44 -0.21 4.56 4.11 -1.88 -2.90 114.58 119.46 1x6b h GLU 67 Ca -0.47 -0.37 0.06 0.00 0.07 0.00 0.00 59.36 58.64 1x6b h GLU 67 Cb 1.22 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1x6b h GLU 67 CO 0.58 1.01 0.45 0.22 0.07 0.00 0.00 179.01 181.34 1x6b h ASP 68 N 0.29 0.00 -0.49 3.06 1.82 -1.93 1.47 116.42 120.64 1x6b h ASP 68 Ca -0.04 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.46 1x6b h ASP 68 Cb 1.35 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.28 1x6b h ASP 68 CO 0.13 0.00 0.11 0.49 -1.61 0.00 0.00 179.24 178.36 1x6b n PHE 69 N -3.23 1.63 -3.85 0.28 3.01 -1.09 -4.94 117.46 109.27 1x6b n PHE 69 Ca 0.03 -1.21 -0.08 0.00 1.01 0.00 0.00 57.45 57.20 1x6b n PHE 69 Cb 0.55 -0.52 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 1x6b n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x6b s ALA 70 N -3.01 -1.05 -0.17 4.37 0.00 0.50 -2.91 121.76 119.49 1x6b s ALA 70 Ca 0.48 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 1x6b s ALA 70 Cb 0.40 0.89 0.06 0.00 0.00 0.00 0.00 23.12 24.47 1x6b s ALA 70 CO 0.08 -0.97 0.05 1.03 0.00 0.00 0.00 175.76 175.95 1x6b s ARG 71 N -3.92 0.41 -0.46 0.00 0.52 -0.72 -4.82 118.95 109.96 1x6b s ARG 71 Ca 0.12 -0.22 -0.31 0.00 -0.52 0.00 0.00 55.73 54.80 1x6b s ARG 71 Cb -0.04 -1.84 -0.11 0.00 0.52 0.00 0.00 34.95 33.47 1x6b s ARG 71 CO 0.05 -0.61 2.33 1.19 0.02 0.00 0.00 175.30 178.28 1x6b n PHE 72 N 5.15 1.46 0.41 -0.53 3.72 -1.26 -2.64 117.46 123.77 1x6b n PHE 72 Ca -0.08 0.20 -0.16 0.00 -0.05 0.00 0.00 57.45 57.35 1x6b n PHE 72 Cb 0.48 -2.56 -0.08 0.00 -0.94 0.00 0.00 39.48 36.38 1x6b n PHE 72 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1x6b h ILE 73 N 7.39 0.00 -2.47 4.37 2.04 -1.83 -3.45 117.51 123.56 1x6b h ILE 73 Ca -0.25 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 1x6b h ILE 73 Cb 1.30 0.00 -0.26 0.00 -0.74 0.00 0.00 36.82 37.11 1x6b h ILE 73 CO 1.10 0.00 -0.31 -0.44 0.00 0.00 0.00 178.15 178.50 1x6b s SER 74 N -4.04 -0.43 0.00 1.72 0.01 -1.26 -5.04 113.70 104.66 1x6b s SER 74 Ca -0.16 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1x6b s SER 74 Cb 0.02 1.30 0.00 0.00 0.21 0.00 0.00 66.02 67.54 1x6b s SER 74 CO 0.47 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.51 1x6b n GLY 75 N 5.06 -1.97 2.57 3.44 0.00 -1.26 -4.39 105.19 108.64 1x6b n GLY 75 Ca -0.13 0.57 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 1x6b n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6b n PRO 76 N -1.89 2.65 -0.72 1.61 -0.04 -1.26 -4.93 135.00 130.43 1x6b n PRO 76 Ca 0.00 -1.86 -0.33 0.00 -0.04 0.00 0.00 63.50 61.27 1x6b n PRO 76 Cb 0.00 -2.70 0.15 0.00 -0.04 0.00 0.00 33.50 30.91 1x6b n PRO 76 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x6b n SER 77 N 4.52 -2.49 -0.08 3.54 7.64 -1.26 -4.99 113.62 120.50 1x6b n SER 77 Ca 0.58 -0.12 -0.11 0.00 1.01 0.00 0.00 58.87 60.23 1x6b n SER 77 Cb 0.22 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.51 1x6b n SER 77 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x6b n SER 78 N -0.84 1.79 0.00 6.43 2.88 -1.26 -5.26 113.62 117.36 1x6b n SER 78 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1x6b n SER 78 Cb 0.64 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1x6b n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42