#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 -8.94 -3.61 1.61 2.88 -1.26 -5.09 113.62 99.21 1x6b n SER 2 Ca 0.00 1.27 -0.03 0.00 -1.33 0.00 0.00 58.87 58.78 1x6b n SER 2 Cb 0.00 -4.73 -0.01 0.00 -0.75 0.00 0.00 64.21 58.72 1x6b n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6b s SER 3 N -1.65 -0.16 0.14 -3.46 1.04 -1.26 -5.14 113.70 103.20 1x6b s SER 3 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1x6b s SER 3 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1x6b s SER 3 CO 0.00 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1x6b n GLY 4 N -0.30 -4.16 1.75 7.32 0.00 -1.26 -5.07 105.19 103.46 1x6b n GLY 4 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1x6b n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x6b n SER 5 N 0.21 -3.12 -4.86 1.61 7.64 -1.26 -5.14 113.62 108.70 1x6b n SER 5 Ca 0.00 0.76 -0.30 0.00 1.01 0.00 0.00 58.87 60.34 1x6b n SER 5 Cb 0.00 3.01 0.07 0.00 -1.01 0.00 0.00 64.21 66.28 1x6b n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x6b s SER 6 N -2.00 4.91 0.00 6.43 1.04 -1.26 -5.07 113.70 117.75 1x6b s SER 6 Ca 0.00 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1x6b s SER 6 Cb 0.00 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1x6b s SER 6 CO 0.00 -1.68 0.00 0.61 0.98 0.00 0.00 173.24 173.15 1x6b n GLY 7 N -2.79 5.28 3.47 7.32 0.00 -1.26 -5.06 105.19 112.15 1x6b n GLY 7 Ca 0.07 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 2.12 3.07 0.14 1.61 0.51 -1.26 -4.88 118.94 120.25 1x6b s TRP 8 Ca 0.00 -1.41 -0.32 0.00 -2.12 0.00 0.00 56.10 52.24 1x6b s TRP 8 Cb 0.00 -4.36 -0.09 0.00 -0.81 0.00 0.00 33.47 28.21 1x6b s TRP 8 CO 0.00 -1.55 1.55 0.37 -0.51 0.00 0.00 176.95 176.80 1x6b h GLN 9 N 8.72 -0.29 0.00 4.98 4.15 -2.03 -3.41 115.11 127.23 1x6b h GLN 9 Ca 0.19 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.63 1x6b h GLN 9 Cb 1.00 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1x6b h GLN 9 CO 1.18 -0.19 0.00 0.41 -1.93 0.00 0.00 178.83 178.30 1x6b n GLY 10 N -1.35 0.23 3.34 2.39 0.00 -1.26 -4.86 105.19 103.69 1x6b n GLY 10 Ca -0.02 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.58 -4.20 0.99 7.99 -1.26 -4.90 117.00 111.03 1x6b n LEU 11 Ca 0.00 -0.24 -0.40 0.00 -0.01 0.00 0.00 56.01 55.36 1x6b n LEU 11 Cb 0.00 -2.44 -0.04 0.00 -0.11 0.00 0.00 43.42 40.83 1x6b n LEU 11 CO 0.00 -0.67 0.55 -0.24 -1.51 0.00 0.00 177.39 175.52 1x6b n SER 12 N -1.39 4.79 -3.00 -1.43 2.88 -1.26 -4.86 113.62 109.35 1x6b n SER 12 Ca -0.09 -3.10 0.01 0.00 -1.33 0.00 0.00 58.87 54.35 1x6b n SER 12 Cb 0.59 -1.19 -0.00 0.00 -0.75 0.00 0.00 64.21 62.86 1x6b n SER 12 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x6b s SER 13 N 0.43 -1.08 0.03 -3.46 0.15 -1.26 -5.16 113.70 103.35 1x6b s SER 13 Ca 0.29 -0.64 -0.06 0.00 0.70 0.00 0.00 55.95 56.25 1x6b s SER 13 Cb -0.08 1.39 -0.01 0.00 -1.71 0.00 0.00 66.02 65.61 1x6b s SER 13 CO -0.10 -0.11 0.10 -0.75 1.20 0.00 0.00 173.24 173.58 1x6b s LYS 14 N 1.76 0.55 0.00 5.44 2.20 -1.26 -5.12 119.74 123.31 1x6b s LYS 14 Ca 0.17 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1x6b s LYS 14 Cb -0.01 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1x6b s LYS 14 CO -0.10 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1x6b n GLY 15 N 0.99 1.47 2.47 5.54 0.00 -1.26 -5.05 105.19 109.36 1x6b n GLY 15 Ca -0.20 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.95 -4.66 1.61 8.00 -1.26 -5.08 116.55 119.10 1x6b n ASP 16 Ca 0.00 -3.46 -0.30 0.00 0.71 0.00 0.00 54.79 51.74 1x6b n ASP 16 Cb 0.00 -0.69 0.16 0.00 -0.02 0.00 0.00 41.12 40.57 1x6b n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x6b s LEU 17 N -2.56 2.23 0.41 0.64 1.43 -1.26 -4.98 118.68 114.59 1x6b s LEU 17 Ca 0.40 1.74 -0.24 0.00 -1.03 0.00 0.00 54.13 55.01 1x6b s LEU 17 Cb 0.15 -4.08 -0.09 0.00 0.03 0.00 0.00 46.19 42.20 1x6b s LEU 17 CO -0.01 -3.02 1.05 -2.16 0.23 0.00 0.00 176.35 172.44 1x6b s PRO 18 N -4.75 4.13 0.10 1.29 0.04 -1.26 -4.88 135.00 129.67 1x6b s PRO 18 Ca 0.65 1.51 0.09 0.00 0.04 0.00 0.00 61.00 63.29 1x6b s PRO 18 Cb -0.21 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 1x6b s PRO 18 CO 0.59 -0.18 -0.22 -0.65 0.04 0.00 0.00 177.00 176.58 1x6b s GLN 19 N -2.56 1.21 -0.00 4.56 -0.21 -1.26 -1.31 119.66 120.09 1x6b s GLN 19 Ca 0.59 -1.16 0.01 0.00 0.02 0.00 0.00 55.36 54.81 1x6b s GLN 19 Cb -0.22 -1.49 -0.00 0.00 1.00 0.00 0.00 33.01 32.30 1x6b s GLN 19 CO 0.27 0.35 -0.04 0.14 -2.12 0.00 0.00 175.29 173.90 1x6b s VAL 20 N -1.10 0.29 -0.31 1.09 -7.23 -1.11 -2.16 120.40 109.87 1x6b s VAL 20 Ca 0.08 -0.18 -0.13 0.00 -1.81 0.00 0.00 61.98 59.94 1x6b s VAL 20 Cb -0.10 -0.25 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 1x6b s VAL 20 CO 0.04 0.07 0.29 -0.70 -0.31 0.00 0.00 175.10 174.49 1x6b s GLU 21 N -0.12 3.71 -0.03 4.82 2.12 -1.16 -2.47 118.70 125.57 1x6b s GLU 21 Ca 0.01 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 1x6b s GLU 21 Cb -0.02 -3.75 -0.07 0.00 0.26 0.00 0.00 34.13 30.55 1x6b s GLU 21 CO -0.00 -0.38 1.94 0.42 -0.54 0.00 0.00 175.26 176.70 1x6b s ILE 22 N 1.88 3.14 0.03 -3.70 -1.09 0.22 -2.45 121.20 119.23 1x6b s ILE 22 Ca 0.10 0.17 -0.18 0.00 -2.23 0.00 0.00 60.65 58.51 1x6b s ILE 22 Cb -0.17 -3.12 -0.25 0.00 -1.58 0.00 0.00 42.46 37.35 1x6b s ILE 22 CO 0.11 -0.03 1.11 0.71 -1.23 0.00 0.00 174.94 175.61 1x6b h THR 23 N 5.91 1.37 -3.69 2.92 1.35 -1.78 2.19 112.91 121.18 1x6b h THR 23 Ca -0.46 -2.21 -0.50 0.00 -0.55 0.00 0.00 66.41 62.70 1x6b h THR 23 Cb 1.22 2.59 -0.20 0.00 -1.73 0.00 0.00 68.15 70.03 1x6b h THR 23 CO 0.95 0.66 -0.79 -1.59 -0.25 0.00 0.00 175.52 174.50 1x6b s LYS 24 N -3.15 1.10 -0.00 4.72 0.00 -1.26 -4.05 119.74 117.09 1x6b s LYS 24 Ca -0.12 -1.21 -0.30 0.00 0.00 0.00 0.00 55.97 54.34 1x6b s LYS 24 Cb 0.05 -1.18 -0.07 0.00 0.00 0.00 0.00 37.83 36.62 1x6b s LYS 24 CO 0.87 0.26 1.70 0.00 0.00 0.00 0.00 175.35 178.17 1x6b s ALA 25 N -1.62 3.63 -0.10 0.59 0.00 -1.26 -4.47 121.76 118.53 1x6b s ALA 25 Ca 0.08 1.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.97 1x6b s ALA 25 Cb -0.08 -3.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 1x6b s ALA 25 CO 0.04 -1.32 0.35 0.12 0.00 0.00 0.00 175.76 174.95 1x6b s PHE 26 N 3.65 3.57 -0.42 0.00 5.36 0.41 -4.90 117.98 125.64 1x6b s PHE 26 Ca 0.76 0.78 -0.09 0.00 -0.96 0.00 0.00 56.93 57.41 1x6b s PHE 26 Cb -0.37 -2.34 0.08 0.00 -0.34 0.00 0.00 43.02 40.06 1x6b s PHE 26 CO 0.32 0.39 0.27 -0.06 -1.46 0.00 0.00 175.22 174.68 1x6b s PHE 27 N -0.10 3.35 0.17 10.12 0.08 -1.26 -1.43 117.98 128.91 1x6b s PHE 27 Ca 0.21 -1.58 -0.31 0.00 0.12 0.00 0.00 56.93 55.36 1x6b s PHE 27 Cb -0.14 -3.02 -0.17 0.00 -0.57 0.00 0.00 43.02 39.11 1x6b s PHE 27 CO 0.08 -0.87 0.75 0.00 -0.10 0.00 0.00 175.22 175.09 1x6b n ALA 28 N 4.91 -2.52 -0.03 5.36 0.00 -1.26 -4.88 120.51 122.09 1x6b n ALA 28 Ca -0.10 0.47 -0.04 0.00 0.00 0.00 0.00 53.44 53.77 1x6b n ALA 28 Cb 0.43 -1.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 1x6b n ALA 28 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x6b n LYS 29 N 1.15 1.21 -2.93 0.00 4.76 -1.26 -5.01 118.16 116.09 1x6b n LYS 29 Ca 0.17 0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.44 1x6b n LYS 29 Cb 0.22 -1.13 0.06 0.00 -1.84 0.00 0.00 35.03 32.34 1x6b n LYS 29 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1x6b s GLN 30 N -2.13 2.30 0.00 1.97 -1.52 -1.26 -4.99 119.66 114.03 1x6b s GLN 30 Ca -0.07 -1.43 0.29 0.00 -1.95 0.00 0.00 55.36 52.20 1x6b s GLN 30 Cb 0.02 -2.60 1.22 0.00 -0.22 0.00 0.00 33.01 31.43 1x6b s GLN 30 CO 0.17 -0.85 1.91 0.00 -0.25 0.00 0.00 175.29 176.26 1x6b n ALA 31 N -2.29 2.44 -2.33 6.09 0.00 -1.26 -3.45 120.51 119.71 1x6b n ALA 31 Ca 0.14 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1x6b n ALA 31 Cb 0.61 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.62 1x6b n ALA 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x6b n ASP 32 N -1.47 5.28 -4.22 0.00 8.00 -1.26 -5.01 116.55 117.87 1x6b n ASP 32 Ca 0.08 -3.74 -0.12 0.00 0.71 0.00 0.00 54.79 51.71 1x6b n ASP 32 Cb 0.33 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.76 1x6b n ASP 32 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x6b s GLU 33 N -3.64 1.03 -0.03 -1.24 2.02 -1.22 -3.10 118.70 112.52 1x6b s GLU 33 Ca 0.49 -1.48 0.02 0.00 0.02 0.00 0.00 54.97 54.02 1x6b s GLU 33 Cb 0.41 -0.20 0.01 0.00 0.10 0.00 0.00 34.13 34.45 1x6b s GLU 33 CO -0.21 -0.12 -0.06 0.54 0.02 0.00 0.00 175.26 175.44 1x6b s VAL 34 N -3.69 0.55 0.03 2.63 0.11 -1.24 -4.69 120.40 114.10 1x6b s VAL 34 Ca 0.21 -0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 1x6b s VAL 34 Cb 0.06 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1x6b s VAL 34 CO 0.02 0.20 0.95 -0.89 -3.33 0.00 0.00 175.10 172.04 1x6b s THR 35 N 0.42 4.77 0.31 5.04 2.01 -1.26 -4.44 115.64 122.49 1x6b s THR 35 Ca -0.05 2.01 0.08 0.00 0.31 0.00 0.00 61.69 64.04 1x6b s THR 35 Cb -0.09 -4.30 -0.06 0.00 0.01 0.00 0.00 72.50 68.06 1x6b s THR 35 CO 0.00 0.22 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.31 1x6b s LEU 36 N 0.66 2.62 0.44 4.42 1.43 -0.51 -4.92 118.68 122.81 1x6b s LEU 36 Ca 0.49 -1.19 0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1x6b s LEU 36 Cb -0.21 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 1x6b s LEU 36 CO 0.28 -0.26 0.22 -1.10 0.23 0.00 0.00 176.35 175.72 1x6b s GLN 37 N -3.66 2.26 0.04 1.70 -1.52 -1.26 -0.45 119.66 116.77 1x6b s GLN 37 Ca 0.31 -1.88 -0.31 0.00 -1.95 0.00 0.00 55.36 51.54 1x6b s GLN 37 Cb 0.03 -2.01 -0.06 0.00 -0.22 0.00 0.00 33.01 30.74 1x6b s GLN 37 CO 0.14 -0.22 1.41 -1.14 -0.25 0.00 0.00 175.29 175.24 1x6b s GLN 38 N -3.98 4.29 -0.42 2.91 -0.44 -1.26 -2.97 119.66 117.78 1x6b s GLN 38 Ca 0.38 2.02 -0.00 0.00 -2.50 0.00 0.00 55.36 55.26 1x6b s GLN 38 Cb 0.02 -3.46 0.00 0.00 -1.64 0.00 0.00 33.01 27.93 1x6b s GLN 38 CO 0.22 -0.53 0.36 0.00 0.50 0.00 0.00 175.29 175.83 1x6b n ALA 39 N 4.89 -0.68 -2.48 1.58 0.00 0.74 -4.97 120.51 119.58 1x6b n ALA 39 Ca 0.13 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 1x6b n ALA 39 Cb 0.43 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 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 -3.44 4.04 -0.07 0.00 1.11 -1.10 -4.87 116.67 112.34 1x6b s ASP 40 Ca 0.02 -0.23 -0.12 0.00 0.18 0.00 0.00 52.55 52.40 1x6b s ASP 40 Cb -0.01 -0.83 -0.05 0.00 1.07 0.00 0.00 42.92 43.11 1x6b s ASP 40 CO 0.26 0.32 0.30 -0.69 1.18 0.00 0.00 175.17 176.54 1x6b s VAL 41 N -0.79 5.24 -0.02 -1.27 1.01 -1.26 0.69 120.40 123.99 1x6b s VAL 41 Ca 0.13 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1x6b s VAL 41 Cb -0.11 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1x6b s VAL 41 CO 0.02 0.55 0.02 -0.69 0.00 0.00 0.00 175.10 175.00 1x6b s VAL 42 N -0.70 0.01 -0.46 2.92 1.01 -1.03 -2.39 120.40 119.75 1x6b s VAL 42 Ca 0.20 0.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.12 1x6b s VAL 42 Cb -0.14 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1x6b s VAL 42 CO 0.08 0.11 0.86 -0.22 0.00 0.00 0.00 175.10 175.93 1x6b s LEU 43 N 1.11 4.14 0.29 3.92 2.96 0.51 -2.75 118.68 128.85 1x6b s LEU 43 Ca -0.09 -0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 53.49 1x6b s LEU 43 Cb -0.13 -3.05 -0.11 0.00 0.50 0.00 0.00 46.19 43.39 1x6b s LEU 43 CO -0.03 -1.00 1.59 -0.69 -1.32 0.00 0.00 176.35 174.90 1x6b s VAL 44 N 3.54 2.10 -0.05 1.68 1.01 -0.43 0.20 120.40 128.45 1x6b s VAL 44 Ca 0.33 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 1x6b s VAL 44 Cb -0.11 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1x6b s VAL 44 CO 0.24 0.01 -0.05 0.18 0.00 0.00 0.00 175.10 175.48 1x6b n LEU 45 N 2.18 2.38 -3.71 3.92 4.77 0.51 -4.51 117.00 122.54 1x6b n LEU 45 Ca 0.08 -0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.79 1x6b n LEU 45 Cb 0.38 -0.17 -0.17 0.00 -2.33 0.00 0.00 43.42 41.13 1x6b n LEU 45 CO 0.63 0.47 -0.36 -1.10 -1.33 0.00 0.00 177.39 175.71 1x6b s GLN 46 N -2.10 0.50 -0.45 3.23 -0.21 -0.42 -4.97 119.66 115.24 1x6b s GLN 46 Ca -0.07 -0.26 -0.24 0.00 0.02 0.00 0.00 55.36 54.81 1x6b s GLN 46 Cb 0.02 -1.87 0.02 0.00 1.00 0.00 0.00 33.01 32.18 1x6b s GLN 46 CO 0.11 -0.60 0.83 -0.65 -2.12 0.00 0.00 175.29 172.86 1x6b s GLN 47 N 1.94 3.47 -0.01 2.91 -0.21 -1.26 0.68 119.66 127.18 1x6b s GLN 47 Ca 0.01 0.01 0.07 0.00 0.02 0.00 0.00 55.36 55.46 1x6b s GLN 47 Cb -0.16 -3.92 -0.03 0.00 1.00 0.00 0.00 33.01 29.90 1x6b s GLN 47 CO -0.08 -1.13 -0.21 -2.00 -2.12 0.00 0.00 175.29 169.76 1x6b s GLU 48 N 3.42 2.19 -0.49 2.91 2.56 -0.09 -4.98 118.70 124.22 1x6b s GLU 48 Ca 0.32 -0.88 -0.27 0.00 0.00 0.00 0.00 54.97 54.14 1x6b s GLU 48 Cb -0.12 -2.18 -0.04 0.00 2.00 0.00 0.00 34.13 33.80 1x6b s GLU 48 CO 0.23 0.57 2.09 0.34 -0.56 0.00 0.00 175.26 177.94 1x6b s ASP 49 N -0.90 5.05 0.00 -1.70 2.15 -1.26 -1.31 116.67 118.70 1x6b s ASP 49 Ca 0.12 0.90 0.00 0.00 0.43 0.00 0.00 52.55 53.99 1x6b s ASP 49 Cb -0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1x6b s ASP 49 CO 0.01 -2.44 0.00 0.61 -0.17 0.00 0.00 175.17 173.18 1x6b n GLY 50 N 5.78 1.80 2.97 2.66 0.00 -1.26 -5.05 105.19 112.09 1x6b n GLY 50 Ca 0.28 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.48 -0.08 -0.26 1.61 0.52 -0.42 -4.61 118.94 115.22 1x6b s TRP 51 Ca 0.00 0.19 -0.00 0.00 0.02 0.00 0.00 56.10 56.31 1x6b s TRP 51 Cb 0.00 0.02 0.04 0.00 -1.15 0.00 0.00 33.47 32.38 1x6b s TRP 51 CO 0.00 -0.06 -0.07 -0.51 0.02 0.00 0.00 176.95 176.33 1x6b s LEU 52 N -0.08 3.42 0.21 2.99 2.01 0.13 -0.91 118.68 126.45 1x6b s LEU 52 Ca -0.01 -1.14 -0.25 0.00 0.01 0.00 0.00 54.13 52.74 1x6b s LEU 52 Cb -0.01 -1.63 -0.08 0.00 0.01 0.00 0.00 46.19 44.47 1x6b s LEU 52 CO 0.00 -0.18 0.82 -0.47 1.01 0.00 0.00 176.35 177.53 1x6b s TYR 53 N 1.23 3.85 0.02 0.29 5.04 0.21 -1.36 117.35 126.63 1x6b s TYR 53 Ca -0.04 1.66 -0.01 0.00 -2.44 0.00 0.00 57.07 56.24 1x6b s TYR 53 Cb -0.18 -2.80 0.00 0.00 0.35 0.00 0.00 41.96 39.33 1x6b s TYR 53 CO -0.04 0.44 0.05 0.41 -1.34 0.00 0.00 175.55 175.06 1x6b n GLY 54 N 1.29 1.73 2.94 8.97 0.00 -1.00 0.19 105.19 119.32 1x6b n GLY 54 Ca -0.04 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.00 1.71 -0.12 1.61 -6.30 0.54 -2.18 118.70 111.95 1x6b s GLU 55 Ca 0.01 -0.33 -0.29 0.00 -2.50 0.00 0.00 54.97 51.86 1x6b s GLU 55 Cb -0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 34.13 32.39 1x6b s GLU 55 CO 0.01 -0.24 1.88 0.50 0.02 0.00 0.00 175.26 177.43 1x6b s ARG 56 N 1.58 3.77 0.55 4.30 3.52 0.48 -0.37 118.95 132.79 1x6b s ARG 56 Ca 0.04 2.10 0.27 0.00 -0.13 0.00 0.00 55.73 58.01 1x6b s ARG 56 Cb -0.13 -4.16 1.58 0.00 -1.56 0.00 0.00 34.95 30.68 1x6b s ARG 56 CO -0.08 -1.36 2.15 -0.07 -0.81 0.00 0.00 175.30 175.14 1x6b h LEU 57 N 12.10 0.00 -0.23 -0.88 -0.00 -1.79 1.78 115.31 126.30 1x6b h LEU 57 Ca -0.41 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.49 1x6b h LEU 57 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.83 1x6b h LEU 57 CO 0.97 0.07 -0.19 -0.09 -0.00 0.00 0.00 178.44 179.19 1x6b h ARG 58 N 0.00 -0.07 0.00 1.13 2.43 -1.88 -3.35 114.38 112.64 1x6b h ARG 58 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1x6b h ARG 58 Cb 0.17 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1x6b h ARG 58 CO 0.01 -0.05 -1.08 -3.47 -1.51 0.00 0.00 179.97 173.87 1x6b n ASP 59 N -3.67 4.69 0.00 -3.80 2.03 -1.17 -5.01 116.55 109.62 1x6b n ASP 59 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1x6b n ASP 59 Cb 0.10 0.72 0.00 0.00 -0.72 0.00 0.00 41.12 41.22 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 2.74 1.75 3.69 0.27 0.00 0.60 -5.05 105.19 109.20 1x6b n GLY 60 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1x6b n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6b s GLU 61 N -0.04 4.28 -0.32 1.61 2.02 -1.07 -4.54 118.70 120.64 1x6b s GLU 61 Ca 0.00 1.97 -0.09 0.00 0.02 0.00 0.00 54.97 56.87 1x6b s GLU 61 Cb 0.00 -3.59 0.01 0.00 0.10 0.00 0.00 34.13 30.65 1x6b s GLU 61 CO 0.00 -0.59 0.13 0.99 0.02 0.00 0.00 175.26 175.81 1x6b s THR 62 N 2.49 4.27 0.17 3.63 2.01 -1.26 0.18 115.64 127.14 1x6b s THR 62 Ca 0.64 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1x6b s THR 62 Cb -0.31 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 1x6b s THR 62 CO 0.26 -0.03 0.22 0.61 -0.69 0.00 0.00 174.62 174.99 1x6b n GLY 63 N 4.92 2.82 3.66 4.40 0.00 -0.93 -4.90 105.19 115.16 1x6b n GLY 63 Ca -0.13 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.65 3.33 -0.05 1.61 0.52 -1.18 -2.36 118.94 117.16 1x6b s TRP 64 Ca 0.16 0.45 0.03 0.00 0.02 0.00 0.00 56.10 56.75 1x6b s TRP 64 Cb -0.00 -2.45 0.01 0.00 -1.15 0.00 0.00 33.47 29.88 1x6b s TRP 64 CO 0.11 -0.02 -0.12 -0.59 0.02 0.00 0.00 176.95 176.35 1x6b s PHE 65 N 1.35 1.32 0.51 -1.98 -0.12 -0.47 -3.72 117.98 114.87 1x6b s PHE 65 Ca 0.14 -0.42 -0.19 0.00 -0.05 0.00 0.00 56.93 56.41 1x6b s PHE 65 Cb -0.15 -0.95 -0.07 0.00 -0.63 0.00 0.00 43.02 41.22 1x6b s PHE 65 CO 0.07 -0.20 1.04 -1.25 -0.05 0.00 0.00 175.22 174.83 1x6b s PRO 66 N 0.43 3.69 0.20 1.99 0.04 -1.26 0.19 135.00 140.28 1x6b s PRO 66 Ca -0.09 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.24 1x6b s PRO 66 Cb -0.13 -2.08 0.14 0.00 0.04 0.00 0.00 34.50 32.47 1x6b s PRO 66 CO 0.02 -0.52 1.51 1.05 0.04 0.00 0.00 177.00 179.10 1x6b h GLU 67 N 1.27 0.46 -0.61 4.56 4.11 -1.88 -2.79 114.58 119.70 1x6b h GLU 67 Ca -0.49 -0.31 0.18 0.00 0.07 0.00 0.00 59.36 58.81 1x6b h GLU 67 Cb 1.22 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1x6b h GLU 67 CO 0.59 0.92 0.56 0.22 0.07 0.00 0.00 179.01 181.37 1x6b h ASP 68 N 0.35 0.00 -0.61 3.06 3.58 -1.93 1.51 116.42 122.39 1x6b h ASP 68 Ca -0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 1x6b h ASP 68 Cb 1.13 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.11 1x6b h ASP 68 CO 0.10 0.00 0.13 0.49 -2.88 0.00 0.00 179.24 177.09 1x6b n PHE 69 N -3.88 2.08 -3.95 0.28 3.01 -1.05 -4.94 117.46 109.01 1x6b n PHE 69 Ca 0.12 -1.02 -0.08 0.00 1.01 0.00 0.00 57.45 57.48 1x6b n PHE 69 Cb 0.79 -0.58 -0.04 0.00 -0.01 0.00 0.00 39.48 39.65 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 -2.91 -0.58 -0.16 4.37 0.00 0.52 -2.71 121.76 120.28 1x6b s ALA 70 Ca 0.53 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 1x6b s ALA 70 Cb 0.42 0.99 0.05 0.00 0.00 0.00 0.00 23.12 24.59 1x6b s ALA 70 CO 0.13 -0.92 0.06 1.03 0.00 0.00 0.00 175.76 176.06 1x6b s ARG 71 N -3.98 0.31 -0.63 0.00 0.52 -1.03 -4.84 118.95 109.32 1x6b s ARG 71 Ca 0.18 -0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 54.96 1x6b s ARG 71 Cb -0.03 -1.74 -0.12 0.00 0.52 0.00 0.00 34.95 33.58 1x6b s ARG 71 CO 0.08 -0.60 2.48 1.19 0.02 0.00 0.00 175.30 178.47 1x6b n PHE 72 N 5.19 1.19 0.38 -0.53 3.72 -1.26 -2.96 117.46 123.18 1x6b n PHE 72 Ca -0.07 0.21 -0.18 0.00 -0.05 0.00 0.00 57.45 57.36 1x6b n PHE 72 Cb 0.48 -2.55 -0.09 0.00 -0.94 0.00 0.00 39.48 36.39 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 7.72 0.00 -2.35 4.37 2.04 -1.81 -3.46 117.51 124.02 1x6b h ILE 73 Ca -0.19 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 1x6b h ILE 73 Cb 1.29 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 37.14 1x6b h ILE 73 CO 1.21 0.00 -0.04 -0.94 0.00 0.00 0.00 178.15 178.38 1x6b s SER 74 N -3.94 -0.60 -0.28 1.72 1.04 -1.26 -5.10 113.70 105.29 1x6b s SER 74 Ca -0.17 1.14 -0.25 0.00 0.48 0.00 0.00 55.95 57.16 1x6b s SER 74 Cb 0.03 1.16 0.11 0.00 0.10 0.00 0.00 66.02 67.42 1x6b s SER 74 CO 0.53 -0.20 0.98 -0.83 0.98 0.00 0.00 173.24 174.70 1x6b s GLY 75 N 0.28 -0.21 -1.13 7.32 0.00 -1.26 -4.19 107.32 108.12 1x6b s GLY 75 Ca -0.00 2.58 -0.19 0.00 0.00 0.00 0.00 44.72 47.11 1x6b s GLY 75 CO 0.01 1.83 2.01 -1.55 0.00 0.00 0.00 173.10 175.40 1x6b n PRO 76 N 2.30 2.21 -0.06 2.90 -0.04 -1.26 -4.45 135.00 136.60 1x6b n PRO 76 Ca -0.13 -2.38 -0.06 0.00 -0.04 0.00 0.00 63.50 60.90 1x6b n PRO 76 Cb 0.56 -3.23 -0.02 0.00 -0.04 0.00 0.00 33.50 30.77 1x6b n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x6b n SER 77 N 7.98 1.39 -3.06 3.54 2.88 -1.26 -5.07 113.62 120.01 1x6b n SER 77 Ca 0.50 0.23 -0.18 0.00 -1.33 0.00 0.00 58.87 58.09 1x6b n SER 77 Cb 0.41 -0.63 0.02 0.00 -0.75 0.00 0.00 64.21 63.26 1x6b n SER 77 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x6b n SER 78 N -3.89 -7.18 0.00 -3.46 7.64 -1.26 -5.35 113.62 100.13 1x6b n SER 78 Ca -0.09 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1x6b n SER 78 Cb 0.35 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 1x6b n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64