#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6b s SER 2 N 0.00 4.88 0.29 1.61 0.01 -1.26 -5.14 113.70 114.09 1x6b s SER 2 Ca 0.00 -0.73 0.08 0.00 1.31 0.00 0.00 55.95 56.60 1x6b s SER 2 Cb 0.00 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 1x6b s SER 2 CO 0.00 -0.41 0.21 -0.55 0.41 0.00 0.00 173.24 172.89 1x6b s SER 3 N -3.95 5.24 0.00 2.44 0.15 -1.26 -5.08 113.70 111.25 1x6b s SER 3 Ca 0.41 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1x6b s SER 3 Cb -0.03 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.17 1x6b s SER 3 CO 0.25 -0.18 0.47 0.61 1.20 0.00 0.00 173.24 175.59 1x6b n GLY 4 N -1.22 -2.80 1.26 9.45 0.00 -1.26 -5.00 105.19 105.61 1x6b n GLY 4 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.49 -7.55 -1.48 1.61 7.64 -1.26 -5.01 113.62 107.07 1x6b n SER 5 Ca 0.00 0.85 0.18 0.00 1.01 0.00 0.00 58.87 60.91 1x6b n SER 5 Cb 0.00 -4.04 -0.10 0.00 -1.01 0.00 0.00 64.21 59.06 1x6b n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x6b n SER 6 N -4.05 -8.03 0.05 6.43 7.64 -1.26 -5.04 113.62 109.36 1x6b n SER 6 Ca -0.03 1.50 0.00 0.00 1.01 0.00 0.00 58.87 61.35 1x6b n SER 6 Cb 0.58 -5.10 0.00 0.00 -1.01 0.00 0.00 64.21 58.68 1x6b n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6b n GLY 7 N -4.41 -0.97 3.56 0.23 0.00 -1.26 -5.01 105.19 97.33 1x6b n GLY 7 Ca -0.10 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.25 2.22 0.06 1.61 0.51 -1.26 -4.81 118.94 116.02 1x6b s TRP 8 Ca 0.00 -0.20 -0.27 0.00 -2.12 0.00 0.00 56.10 53.51 1x6b s TRP 8 Cb 0.00 -4.43 -0.17 0.00 -0.81 0.00 0.00 33.47 28.06 1x6b s TRP 8 CO 0.00 -1.89 1.56 1.96 -0.51 0.00 0.00 176.95 178.07 1x6b h GLN 9 N 10.55 -0.35 -5.42 4.98 4.20 -2.01 -3.38 115.11 123.68 1x6b h GLN 9 Ca 0.12 0.02 -0.65 0.00 0.06 0.00 0.00 58.65 58.20 1x6b h GLN 9 Cb 1.02 0.08 -0.15 0.00 0.30 0.00 0.00 27.48 28.72 1x6b h GLN 9 CO 1.33 -0.15 0.22 0.20 -0.67 0.00 0.00 178.83 179.76 1x6b s GLY 10 N -2.34 1.66 0.06 3.46 0.00 -1.26 -5.02 107.32 103.87 1x6b s GLY 10 Ca -0.15 -1.34 0.04 0.00 0.00 0.00 0.00 44.72 43.28 1x6b s GLY 10 CO 0.62 1.65 -0.12 -2.27 0.00 0.00 0.00 173.10 172.98 1x6b s LEU 11 N 3.05 2.27 -0.38 0.66 2.96 -1.26 -5.12 118.68 120.86 1x6b s LEU 11 Ca 0.23 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1x6b s LEU 11 Cb -0.15 -0.42 0.11 0.00 0.50 0.00 0.00 46.19 46.24 1x6b s LEU 11 CO 0.18 -0.11 0.15 -0.94 -1.32 0.00 0.00 176.35 174.30 1x6b s SER 12 N -1.70 4.10 0.20 3.68 1.04 -1.26 -4.84 113.70 114.93 1x6b s SER 12 Ca -0.04 -2.23 0.00 0.00 0.48 0.00 0.00 55.95 54.16 1x6b s SER 12 Cb -0.10 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.84 1x6b s SER 12 CO 0.02 -0.34 0.00 -1.20 0.98 0.00 0.00 173.24 172.70 1x6b n SER 13 N 4.10 -1.76 -4.82 7.02 7.64 -1.26 -5.13 113.62 119.41 1x6b n SER 13 Ca 0.04 0.58 -0.35 0.00 1.01 0.00 0.00 58.87 60.14 1x6b n SER 13 Cb 0.38 1.88 -0.06 0.00 -1.01 0.00 0.00 64.21 65.40 1x6b n SER 13 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1x6b s LYS 14 N -1.80 4.21 0.00 1.43 0.00 -1.26 -4.94 119.74 117.38 1x6b s LYS 14 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 55.97 56.83 1x6b s LYS 14 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 37.83 35.09 1x6b s LYS 14 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 175.35 176.07 1x6b n GLY 15 N 0.39 -0.47 2.22 0.59 0.00 -1.26 -4.97 105.19 101.71 1x6b n GLY 15 Ca -0.00 0.50 -0.22 0.00 0.00 0.00 0.00 46.02 46.29 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 6.45 -4.47 1.61 8.00 -1.26 -4.97 116.55 121.91 1x6b n ASP 16 Ca 0.00 -3.13 -0.32 0.00 0.71 0.00 0.00 54.79 52.05 1x6b n ASP 16 Cb 0.00 -1.16 0.15 0.00 -0.02 0.00 0.00 41.12 40.09 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 0.68 0.39 -4.75 0.64 4.77 -1.26 -4.92 117.00 112.55 1x6b n LEU 17 Ca 0.41 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 56.24 1x6b n LEU 17 Cb 0.58 -1.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.37 1x6b n LEU 17 CO 0.35 -3.13 0.80 -2.16 -1.33 0.00 0.00 177.39 171.92 1x6b s PRO 18 N -3.96 4.61 -0.05 3.23 0.04 -1.26 -4.85 135.00 132.76 1x6b s PRO 18 Ca 0.61 1.76 0.06 0.00 0.04 0.00 0.00 61.00 63.46 1x6b s PRO 18 Cb -0.21 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1x6b s PRO 18 CO 0.64 0.12 -0.22 -0.65 0.04 0.00 0.00 177.00 176.93 1x6b s GLN 19 N -0.76 2.27 -0.01 4.56 -0.21 -1.26 0.02 119.66 124.28 1x6b s GLN 19 Ca 0.48 -0.81 0.08 0.00 0.02 0.00 0.00 55.36 55.13 1x6b s GLN 19 Cb -0.30 -1.95 -0.02 0.00 1.00 0.00 0.00 33.01 31.73 1x6b s GLN 19 CO 0.37 0.35 -0.26 0.14 -2.12 0.00 0.00 175.29 173.77 1x6b s VAL 20 N -0.12 2.04 -0.27 1.09 -7.23 -0.87 -2.32 120.40 112.71 1x6b s VAL 20 Ca -0.03 -1.15 -0.14 0.00 -1.81 0.00 0.00 61.98 58.85 1x6b s VAL 20 Cb -0.13 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 1x6b s VAL 20 CO 0.03 0.53 0.33 -0.70 -0.31 0.00 0.00 175.10 174.98 1x6b s GLU 21 N -0.72 4.01 0.14 4.82 2.12 -0.96 -1.70 118.70 126.41 1x6b s GLU 21 Ca 0.10 -0.04 -0.31 0.00 0.36 0.00 0.00 54.97 55.08 1x6b s GLU 21 Cb -0.10 -3.65 -0.09 0.00 0.26 0.00 0.00 34.13 30.55 1x6b s GLU 21 CO -0.00 -0.24 1.45 0.42 -0.54 0.00 0.00 175.26 176.35 1x6b s ILE 22 N 1.95 3.03 -0.12 -3.70 -1.09 0.47 -1.40 121.20 120.34 1x6b s ILE 22 Ca 0.13 0.75 0.16 0.00 -2.23 0.00 0.00 60.65 59.46 1x6b s ILE 22 Cb -0.16 -3.48 -0.10 0.00 -1.58 0.00 0.00 42.46 37.15 1x6b s ILE 22 CO 0.10 0.06 0.95 0.71 -1.23 0.00 0.00 174.94 175.53 1x6b h THR 23 N 4.12 0.59 -2.79 2.92 1.35 -1.82 1.62 112.91 118.89 1x6b h THR 23 Ca -0.43 -2.06 -0.11 0.00 -0.55 0.00 0.00 66.41 63.26 1x6b h THR 23 Cb 1.21 2.12 -0.22 0.00 -1.73 0.00 0.00 68.15 69.53 1x6b h THR 23 CO 0.88 0.34 -0.21 -1.59 -0.25 0.00 0.00 175.52 174.68 1x6b s LYS 24 N -2.93 0.60 0.26 4.72 -2.85 -1.26 -4.36 119.74 113.92 1x6b s LYS 24 Ca -0.02 0.25 -0.29 0.00 -1.00 0.00 0.00 55.97 54.91 1x6b s LYS 24 Cb 0.08 0.28 -0.14 0.00 -2.06 0.00 0.00 37.83 35.99 1x6b s LYS 24 CO 0.80 -0.13 1.09 0.00 0.10 0.00 0.00 175.35 177.21 1x6b n ALA 25 N 2.09 -0.23 -3.86 0.59 0.00 -1.26 -4.62 120.51 113.23 1x6b n ALA 25 Ca -0.17 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.37 1x6b n ALA 25 Cb 0.57 -2.05 -0.12 0.00 0.00 0.00 0.00 19.45 17.85 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 -0.76 3.47 -0.14 0.00 5.36 -0.84 -4.89 117.98 120.18 1x6b s PHE 26 Ca 0.63 -3.17 -0.32 0.00 -0.96 0.00 0.00 56.93 53.11 1x6b s PHE 26 Cb -0.73 -2.88 -0.09 0.00 -0.34 0.00 0.00 43.02 38.97 1x6b s PHE 26 CO 0.57 -0.67 2.04 1.19 -1.46 0.00 0.00 175.22 176.89 1x6b n PHE 27 N 2.59 2.16 -2.05 10.12 3.72 -1.26 -2.98 117.46 129.76 1x6b n PHE 27 Ca 0.13 -0.06 -0.41 0.00 -0.05 0.00 0.00 57.45 57.06 1x6b n PHE 27 Cb 0.35 -2.69 -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 5.77 3.62 -0.14 4.37 0.00 -1.26 -4.90 121.76 129.21 1x6b s ALA 28 Ca 0.97 1.28 0.06 0.00 0.00 0.00 0.00 51.96 54.27 1x6b s ALA 28 Cb -0.58 -3.55 -0.13 0.00 0.00 0.00 0.00 23.12 18.86 1x6b s ALA 28 CO 0.45 -0.70 -0.05 0.36 0.00 0.00 0.00 175.76 175.83 1x6b n LYS 29 N 2.69 1.18 -1.48 0.00 -0.00 -1.26 -4.93 118.16 114.35 1x6b n LYS 29 Ca 0.08 0.04 -0.08 0.00 -0.00 0.00 0.00 58.31 58.35 1x6b n LYS 29 Cb 0.41 -1.33 0.03 0.00 -0.00 0.00 0.00 35.03 34.15 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 -2.72 0.57 0.00 -1.58 6.02 -1.26 -5.01 117.38 113.40 1x6b n GLN 30 Ca -0.25 -1.03 0.11 0.00 -0.01 0.00 0.00 57.00 55.83 1x6b n GLN 30 Cb 0.86 -0.17 0.12 0.00 1.02 0.00 0.00 30.24 32.06 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 -2.88 3.94 0.56 -1.58 0.00 -1.26 -3.75 120.51 115.54 1x6b n ALA 31 Ca -0.05 -0.46 0.11 0.00 0.00 0.00 0.00 53.44 53.03 1x6b n ALA 31 Cb 0.21 -0.98 -0.12 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.33 0.57 -4.89 0.00 2.03 -1.26 -4.95 116.55 106.72 1x6b n ASP 32 Ca 0.06 -0.51 -0.29 0.00 0.52 0.00 0.00 54.79 54.57 1x6b n ASP 32 Cb 0.34 1.34 -0.00 0.00 -0.72 0.00 0.00 41.12 42.08 1x6b n ASP 32 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1x6b s GLU 33 N -3.22 3.60 -0.02 -0.67 2.02 -1.25 0.12 118.70 119.28 1x6b s GLU 33 Ca 0.01 0.44 0.02 0.00 0.02 0.00 0.00 54.97 55.47 1x6b s GLU 33 Cb 0.15 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 32.12 1x6b s GLU 33 CO 0.87 -0.32 -0.08 0.54 0.02 0.00 0.00 175.26 176.30 1x6b s VAL 34 N -2.85 0.70 0.12 2.63 0.11 -1.23 -4.64 120.40 115.24 1x6b s VAL 34 Ca 0.51 -0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 58.94 1x6b s VAL 34 Cb -0.11 -0.63 -0.07 0.00 -1.53 0.00 0.00 36.38 34.05 1x6b s VAL 34 CO 0.46 0.22 1.22 -0.89 -3.33 0.00 0.00 175.10 172.79 1x6b s THR 35 N 0.21 3.73 0.35 5.04 2.01 -1.25 -4.35 115.64 121.38 1x6b s THR 35 Ca -0.03 1.33 0.04 0.00 0.31 0.00 0.00 61.69 63.34 1x6b s THR 35 Cb -0.08 -3.85 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 1x6b s THR 35 CO 0.00 0.15 0.05 -0.76 -0.69 0.00 0.00 174.62 173.37 1x6b s LEU 36 N 0.49 2.34 0.37 4.42 1.43 -1.16 -4.91 118.68 121.67 1x6b s LEU 36 Ca 0.57 -1.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.32 1x6b s LEU 36 Cb -0.32 -0.50 -0.06 0.00 0.03 0.00 0.00 46.19 45.33 1x6b s LEU 36 CO 0.33 -0.59 0.04 -1.10 0.23 0.00 0.00 176.35 175.26 1x6b s GLN 37 N -3.84 1.81 0.12 1.70 -1.52 -1.26 -1.98 119.66 114.69 1x6b s GLN 37 Ca 0.35 -2.03 -0.31 0.00 -1.95 0.00 0.00 55.36 51.42 1x6b s GLN 37 Cb 0.09 -1.14 -0.09 0.00 -0.22 0.00 0.00 33.01 31.65 1x6b s GLN 37 CO 0.16 -0.17 1.52 -1.14 -0.25 0.00 0.00 175.29 175.40 1x6b s GLN 38 N -3.82 4.25 -0.73 2.91 0.74 -1.26 -2.69 119.66 119.05 1x6b s GLN 38 Ca 0.33 2.25 -0.00 0.00 0.05 0.00 0.00 55.36 57.98 1x6b s GLN 38 Cb 0.08 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.90 1x6b s GLN 38 CO 0.15 -0.58 0.61 0.00 -0.55 0.00 0.00 175.29 174.93 1x6b n ALA 39 N 4.35 -1.19 -2.95 1.58 0.00 0.55 -4.96 120.51 117.89 1x6b n ALA 39 Ca 0.13 -0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 1x6b n ALA 39 Cb 0.40 -1.79 -0.14 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.78 4.16 0.01 0.00 1.11 -1.07 -4.82 116.67 112.27 1x6b s ASP 40 Ca 0.02 -0.26 -0.16 0.00 0.18 0.00 0.00 52.55 52.33 1x6b s ASP 40 Cb -0.01 -1.50 -0.06 0.00 1.07 0.00 0.00 42.92 42.42 1x6b s ASP 40 CO 0.44 0.20 0.44 -0.69 1.18 0.00 0.00 175.17 176.74 1x6b s VAL 41 N 0.13 4.98 -0.02 -1.27 1.01 -1.26 0.18 120.40 124.15 1x6b s VAL 41 Ca -0.06 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1x6b s VAL 41 Cb -0.15 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1x6b s VAL 41 CO 0.04 0.57 -0.03 -0.69 0.00 0.00 0.00 175.10 175.00 1x6b s VAL 42 N -1.04 0.30 -0.46 2.92 1.01 -0.69 -2.87 120.40 119.58 1x6b s VAL 42 Ca 0.25 -0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 1x6b s VAL 42 Cb -0.17 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 35.92 1x6b s VAL 42 CO 0.14 0.13 0.80 -0.22 0.00 0.00 0.00 175.10 175.95 1x6b s LEU 43 N 0.45 4.25 0.37 3.92 2.96 0.60 -2.05 118.68 129.17 1x6b s LEU 43 Ca -0.05 -0.13 -0.28 0.00 -0.22 0.00 0.00 54.13 53.46 1x6b s LEU 43 Cb -0.08 -2.96 -0.11 0.00 0.50 0.00 0.00 46.19 43.54 1x6b s LEU 43 CO -0.01 -0.94 1.50 -0.69 -1.32 0.00 0.00 176.35 174.89 1x6b s VAL 44 N 3.34 2.02 -0.00 1.68 1.01 0.10 0.21 120.40 128.76 1x6b s VAL 44 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1x6b s VAL 44 Cb -0.12 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1x6b s VAL 44 CO 0.23 0.01 -0.00 0.18 0.00 0.00 0.00 175.10 175.51 1x6b n LEU 45 N 0.52 2.77 -3.69 3.92 4.77 0.48 -4.48 117.00 121.28 1x6b n LEU 45 Ca 0.01 -0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.82 1x6b n LEU 45 Cb 0.39 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.31 1x6b n LEU 45 CO 0.64 0.47 -0.28 -1.10 -1.33 0.00 0.00 177.39 175.79 1x6b s GLN 46 N -2.00 0.00 -0.38 3.23 -0.21 -0.81 -4.98 119.66 114.51 1x6b s GLN 46 Ca -0.00 0.45 -0.14 0.00 0.02 0.00 0.00 55.36 55.68 1x6b s GLN 46 Cb 0.00 -0.33 0.01 0.00 1.00 0.00 0.00 33.01 33.69 1x6b s GLN 46 CO 0.01 -0.28 0.29 -0.65 -2.12 0.00 0.00 175.29 172.54 1x6b s GLN 47 N 1.98 3.20 -0.22 2.91 -0.21 -1.26 0.10 119.66 126.17 1x6b s GLN 47 Ca 0.01 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 54.57 1x6b s GLN 47 Cb -0.12 -3.91 0.04 0.00 1.00 0.00 0.00 33.01 30.02 1x6b s GLN 47 CO -0.05 -0.64 -0.16 -2.00 -2.12 0.00 0.00 175.29 170.33 1x6b s GLU 48 N 1.75 2.65 -0.77 2.91 2.56 -0.09 -5.00 118.70 122.71 1x6b s GLU 48 Ca 0.06 -1.06 -0.31 0.00 0.00 0.00 0.00 54.97 53.66 1x6b s GLU 48 Cb -0.18 -2.72 -0.19 0.00 2.00 0.00 0.00 34.13 33.04 1x6b s GLU 48 CO 0.11 -0.37 2.30 -3.47 -0.56 0.00 0.00 175.26 173.26 1x6b n ASP 49 N 4.54 0.38 0.00 -1.70 2.03 -1.26 0.15 116.55 120.69 1x6b n ASP 49 Ca -0.18 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1x6b n ASP 49 Cb 0.46 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 1x6b n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6b n GLY 50 N 6.15 3.72 3.01 0.27 0.00 -1.26 -5.07 105.19 112.01 1x6b n GLY 50 Ca 0.57 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 0.18 -0.23 1.61 0.52 0.40 -4.70 118.94 116.71 1x6b s TRP 51 Ca 0.00 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.77 1x6b s TRP 51 Cb 0.00 -0.13 0.04 0.00 -1.15 0.00 0.00 33.47 32.23 1x6b s TRP 51 CO 0.00 -0.21 -0.14 -0.51 0.02 0.00 0.00 176.95 176.11 1x6b s LEU 52 N -1.33 2.97 0.21 2.99 2.01 0.22 -0.91 118.68 124.84 1x6b s LEU 52 Ca -0.14 -1.11 -0.21 0.00 0.01 0.00 0.00 54.13 52.68 1x6b s LEU 52 Cb -0.09 -1.53 -0.08 0.00 0.01 0.00 0.00 46.19 44.50 1x6b s LEU 52 CO -0.00 -0.12 0.74 -0.47 1.01 0.00 0.00 176.35 177.50 1x6b s TYR 53 N 1.18 3.69 0.10 0.29 5.04 0.29 -1.24 117.35 126.69 1x6b s TYR 53 Ca -0.04 1.43 -0.10 0.00 -2.44 0.00 0.00 57.07 55.93 1x6b s TYR 53 Cb -0.17 -2.65 0.03 0.00 0.35 0.00 0.00 41.96 39.52 1x6b s TYR 53 CO -0.08 0.36 0.46 0.41 -1.34 0.00 0.00 175.55 175.37 1x6b n GLY 54 N 0.86 1.05 2.94 8.97 0.00 -1.04 0.18 105.19 118.15 1x6b n GLY 54 Ca -0.03 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.03 1.58 -0.05 1.61 -6.30 0.55 -2.11 118.70 111.95 1x6b s GLU 55 Ca 0.10 -0.30 -0.29 0.00 -2.50 0.00 0.00 54.97 51.98 1x6b s GLU 55 Cb -0.01 -1.56 -0.07 0.00 0.00 0.00 0.00 34.13 32.49 1x6b s GLU 55 CO 0.03 -0.20 1.93 0.50 0.02 0.00 0.00 175.26 177.54 1x6b s ARG 56 N 1.46 3.92 0.07 4.30 3.52 0.30 -0.29 118.95 132.22 1x6b s ARG 56 Ca 0.01 2.34 0.15 0.00 -0.13 0.00 0.00 55.73 58.09 1x6b s ARG 56 Cb -0.13 -4.16 0.63 0.00 -1.56 0.00 0.00 34.95 29.73 1x6b s ARG 56 CO -0.06 -1.19 1.46 1.28 -0.81 0.00 0.00 175.30 175.98 1x6b n LEU 57 N 8.35 0.17 0.24 -0.88 4.77 -1.14 0.19 117.00 128.71 1x6b n LEU 57 Ca 0.21 0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 56.64 1x6b n LEU 57 Cb 0.42 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1x6b n LEU 57 CO 0.66 -0.38 0.45 -0.09 -1.33 0.00 0.00 177.39 176.70 1x6b h ARG 58 N 0.00 -0.60 0.00 3.23 2.43 -1.88 -3.39 114.38 114.17 1x6b h ARG 58 Ca 0.00 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1x6b h ARG 58 Cb 0.23 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1x6b h ARG 58 CO 0.00 -0.40 -1.43 -3.47 -1.51 0.00 0.00 179.97 173.16 1x6b n ASP 59 N -3.87 3.26 0.00 -3.80 -0.08 -1.19 -5.00 116.55 105.86 1x6b n ASP 59 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1x6b n ASP 59 Cb 0.25 0.97 0.00 0.00 2.34 0.00 0.00 41.12 44.67 1x6b n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x6b n GLY 60 N 2.35 1.23 3.69 0.27 0.00 0.51 -5.05 105.19 108.20 1x6b n GLY 60 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.51 4.14 -0.34 1.61 2.02 -1.18 -4.46 118.70 119.99 1x6b s GLU 61 Ca 0.00 2.58 -0.06 0.00 0.02 0.00 0.00 54.97 57.50 1x6b s GLU 61 Cb 0.00 -3.54 0.04 0.00 0.10 0.00 0.00 34.13 30.73 1x6b s GLU 61 CO 0.00 -0.82 0.10 0.99 0.02 0.00 0.00 175.26 175.55 1x6b s THR 62 N 2.57 3.78 0.19 3.63 2.01 -1.26 0.11 115.64 126.66 1x6b s THR 62 Ca 0.80 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1x6b s THR 62 Cb -0.46 -3.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.92 1x6b s THR 62 CO 0.36 -0.16 0.24 0.61 -0.69 0.00 0.00 174.62 174.97 1x6b n GLY 63 N 4.81 2.80 3.70 4.40 0.00 -0.90 -4.92 105.19 115.09 1x6b n GLY 63 Ca -0.13 -1.58 -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 -3.58 3.44 -0.04 1.61 0.52 0.33 -2.48 118.94 118.74 1x6b s TRP 64 Ca 0.17 0.71 0.02 0.00 0.02 0.00 0.00 56.10 57.03 1x6b s TRP 64 Cb -0.00 -2.50 0.01 0.00 -1.15 0.00 0.00 33.47 29.83 1x6b s TRP 64 CO 0.12 0.10 -0.09 -0.59 0.02 0.00 0.00 176.95 176.51 1x6b s PHE 65 N 0.92 1.06 0.54 -1.98 -0.12 -0.37 -3.58 117.98 114.45 1x6b s PHE 65 Ca 0.21 -0.32 -0.18 0.00 -0.05 0.00 0.00 56.93 56.59 1x6b s PHE 65 Cb -0.14 -0.81 -0.06 0.00 -0.63 0.00 0.00 43.02 41.38 1x6b s PHE 65 CO 0.08 -0.18 1.04 -1.25 -0.05 0.00 0.00 175.22 174.86 1x6b s PRO 66 N 0.56 3.58 0.18 1.99 0.04 -1.26 -0.61 135.00 139.47 1x6b s PRO 66 Ca -0.10 1.25 -0.03 0.00 0.04 0.00 0.00 61.00 62.17 1x6b s PRO 66 Cb -0.13 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.42 1x6b s PRO 66 CO 0.01 -0.60 1.46 1.05 0.04 0.00 0.00 177.00 178.96 1x6b h GLU 67 N 0.96 0.49 -0.08 4.56 4.11 -1.87 -2.76 114.58 119.99 1x6b h GLU 67 Ca -0.48 -0.35 0.02 0.00 0.07 0.00 0.00 59.36 58.62 1x6b h GLU 67 Cb 1.22 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1x6b h GLU 67 CO 0.58 0.97 0.35 -0.44 0.07 0.00 0.00 179.01 180.55 1x6b h ASP 68 N 0.36 0.00 -0.44 3.06 3.32 -1.94 0.96 116.42 121.74 1x6b h ASP 68 Ca -0.01 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.83 1x6b h ASP 68 Cb 1.21 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.63 1x6b h ASP 68 CO 0.12 0.00 0.04 0.49 -1.72 0.00 0.00 179.24 178.16 1x6b n PHE 69 N -3.05 1.37 -3.52 4.55 3.01 -1.04 -4.95 117.46 113.84 1x6b n PHE 69 Ca -0.00 -1.53 -0.10 0.00 1.01 0.00 0.00 57.45 56.82 1x6b n PHE 69 Cb 0.42 -0.54 -0.02 0.00 -0.01 0.00 0.00 39.48 39.34 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 -3.20 -1.60 -0.18 4.37 0.00 0.33 -3.45 121.76 118.04 1x6b s ALA 70 Ca 0.46 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 1x6b s ALA 70 Cb 0.41 0.77 0.05 0.00 0.00 0.00 0.00 23.12 24.35 1x6b s ALA 70 CO 0.03 -0.80 -0.01 1.03 0.00 0.00 0.00 175.76 176.00 1x6b s ARG 71 N -3.61 1.04 -0.61 0.00 0.52 -0.49 -4.81 118.95 110.99 1x6b s ARG 71 Ca 0.04 -0.47 -0.28 0.00 -0.52 0.00 0.00 55.73 54.50 1x6b s ARG 71 Cb -0.02 -2.01 -0.11 0.00 0.52 0.00 0.00 34.95 33.33 1x6b s ARG 71 CO -0.09 -0.53 2.48 1.19 0.02 0.00 0.00 175.30 178.38 1x6b n PHE 72 N 4.95 1.22 0.12 -0.53 3.72 -1.26 -2.27 117.46 123.41 1x6b n PHE 72 Ca -0.10 0.19 -0.13 0.00 -0.05 0.00 0.00 57.45 57.36 1x6b n PHE 72 Cb 0.47 -2.57 -0.07 0.00 -0.94 0.00 0.00 39.48 36.37 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 7.75 0.75 -2.28 4.37 2.04 -1.83 -3.44 117.51 124.87 1x6b h ILE 73 Ca -0.20 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1x6b h ILE 73 Cb 1.28 0.75 -0.23 0.00 -0.74 0.00 0.00 36.82 37.88 1x6b h ILE 73 CO 1.21 0.00 -0.10 -0.55 0.00 0.00 0.00 178.15 178.71 1x6b s SER 74 N -4.96 -0.75 0.00 1.72 0.15 -1.26 -4.98 113.70 103.63 1x6b s SER 74 Ca -0.14 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1x6b s SER 74 Cb 0.06 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 1x6b s SER 74 CO 0.65 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.48 1x6b n GLY 75 N 4.06 -0.74 3.79 9.45 0.00 -1.26 -4.25 105.19 116.24 1x6b n GLY 75 Ca -0.20 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1x6b n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6b s PRO 76 N -0.29 4.00 -0.23 1.61 0.04 -1.26 -4.53 135.00 134.35 1x6b s PRO 76 Ca 0.00 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 62.46 1x6b s PRO 76 Cb 0.00 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1x6b s PRO 76 CO 0.00 -0.27 0.08 0.45 0.04 0.00 0.00 177.00 177.30 1x6b n SER 77 N -0.45 -4.74 -4.67 6.66 2.88 -1.26 -4.83 113.62 107.21 1x6b n SER 77 Ca 0.07 1.24 -0.47 0.00 -1.33 0.00 0.00 58.87 58.38 1x6b n SER 77 Cb 0.51 -4.82 -0.04 0.00 -0.75 0.00 0.00 64.21 59.11 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 0.96 3.29 -0.18 -3.46 7.64 -1.26 -5.10 113.62 115.51 1x6b n SER 78 Ca -0.14 1.03 0.15 0.00 1.01 0.00 0.00 58.87 60.92 1x6b n SER 78 Cb 0.22 -1.41 0.79 0.00 -1.01 0.00 0.00 64.21 62.81 1x6b n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64