#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 -6.93 -3.62 1.61 7.64 -1.26 -5.10 113.62 105.96 1x6b n SER 2 Ca 0.00 0.98 -0.05 0.00 1.01 0.00 0.00 58.87 60.81 1x6b n SER 2 Cb 0.00 -3.88 -0.02 0.00 -1.01 0.00 0.00 64.21 59.30 1x6b n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x6b s SER 3 N -0.37 -0.25 0.00 6.43 0.01 -1.26 -5.18 113.70 113.09 1x6b s SER 3 Ca 0.00 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1x6b s SER 3 Cb 0.00 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1x6b s SER 3 CO 0.00 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.59 1x6b n GLY 4 N -0.34 -0.43 3.19 3.44 0.00 -1.26 -5.11 105.19 104.68 1x6b n GLY 4 Ca -0.07 -1.37 0.05 0.00 0.00 0.00 0.00 46.02 44.63 1x6b n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6b s SER 5 N -1.29 -0.20 0.00 1.61 0.15 -1.26 -4.99 113.70 107.72 1x6b s SER 5 Ca 0.00 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1x6b s SER 5 Cb 0.00 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1x6b s SER 5 CO 0.00 -0.04 0.00 -0.24 1.20 0.00 0.00 173.24 174.16 1x6b n SER 6 N 5.09 0.00 0.00 5.45 2.88 -1.26 -4.35 113.62 121.42 1x6b n SER 6 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1x6b n SER 6 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1x6b n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6b n GLY 7 N 0.00 0.53 1.86 0.46 0.00 -1.26 -5.04 105.19 101.74 1x6b n GLY 7 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1x6b n GLY 7 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1x6b n TRP 8 N 0.00 -3.77 -4.04 1.61 7.02 -1.26 -5.02 117.44 111.99 1x6b n TRP 8 Ca 0.00 2.26 -0.26 0.00 -1.02 0.00 0.00 57.50 58.48 1x6b n TRP 8 Cb 0.00 -3.36 -0.04 0.00 -2.42 0.00 0.00 31.31 25.49 1x6b n TRP 8 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 1x6b s GLN 9 N -1.08 3.09 -0.31 -0.99 -2.07 -1.26 -4.80 119.66 112.24 1x6b s GLN 9 Ca 0.00 -0.79 -0.07 0.00 -1.82 0.00 0.00 55.36 52.68 1x6b s GLN 9 Cb 0.00 -2.75 0.01 0.00 -1.09 0.00 0.00 33.01 29.18 1x6b s GLN 9 CO 0.00 0.49 0.21 0.41 -1.32 0.00 0.00 175.29 175.07 1x6b n GLY 10 N -0.51 -2.67 1.71 2.60 0.00 -1.26 -5.01 105.19 100.06 1x6b n GLY 10 Ca -0.08 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1x6b n GLY 10 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x6b n LEU 11 N 0.45 0.17 -5.00 0.99 -0.00 -1.26 -5.04 117.00 107.32 1x6b n LEU 11 Ca 0.03 0.34 -0.18 0.00 -0.00 0.00 0.00 56.01 56.19 1x6b n LEU 11 Cb 0.23 0.17 0.02 0.00 -0.00 0.00 0.00 43.42 43.84 1x6b n LEU 11 CO 0.41 -0.72 0.18 -0.44 -0.00 0.00 0.00 177.39 176.81 1x6b s SER 12 N -5.26 5.41 0.00 1.96 0.01 -1.26 -4.65 113.70 109.91 1x6b s SER 12 Ca 0.00 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1x6b s SER 12 Cb 0.00 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1x6b s SER 12 CO 0.00 -0.91 0.00 -1.20 0.41 0.00 0.00 173.24 171.54 1x6b n SER 13 N -1.91 0.00 -4.35 2.44 7.64 -1.26 -4.87 113.62 111.32 1x6b n SER 13 Ca 0.09 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 1x6b n SER 13 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1x6b n SER 13 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1x6b n LYS 14 N 0.00 0.16 0.00 1.43 -0.00 -1.26 -4.93 118.16 113.56 1x6b n LYS 14 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1x6b n LYS 14 Cb 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 35.03 33.87 1x6b n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x6b n GLY 15 N 2.17 2.21 2.43 2.58 0.00 -1.26 -4.99 105.19 108.33 1x6b n GLY 15 Ca 0.11 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 3.12 -4.79 1.61 8.00 -1.26 -5.09 116.55 118.14 1x6b n ASP 16 Ca 0.00 -3.33 -0.31 0.00 0.71 0.00 0.00 54.79 51.87 1x6b n ASP 16 Cb 0.00 -0.65 0.08 0.00 -0.02 0.00 0.00 41.12 40.53 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 -2.36 2.97 0.34 0.64 1.43 -1.26 -5.00 118.68 115.44 1x6b s LEU 17 Ca 0.40 1.66 -0.26 0.00 -1.03 0.00 0.00 54.13 54.90 1x6b s LEU 17 Cb 0.17 -4.40 -0.09 0.00 0.03 0.00 0.00 46.19 41.90 1x6b s LEU 17 CO -0.04 -1.84 1.07 -2.16 0.23 0.00 0.00 176.35 173.60 1x6b s PRO 18 N -4.99 4.39 0.10 1.29 0.04 -1.26 -4.87 135.00 129.70 1x6b s PRO 18 Ca 0.60 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.36 1x6b s PRO 18 Cb -0.16 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 1x6b s PRO 18 CO 0.56 0.03 -0.20 -0.65 0.04 0.00 0.00 177.00 176.77 1x6b s GLN 19 N -2.00 1.11 0.01 4.56 -0.21 -1.26 -0.04 119.66 121.82 1x6b s GLN 19 Ca 0.52 -1.16 0.01 0.00 0.02 0.00 0.00 55.36 54.75 1x6b s GLN 19 Cb -0.26 -1.35 -0.01 0.00 1.00 0.00 0.00 33.01 32.38 1x6b s GLN 19 CO 0.33 0.31 -0.04 0.14 -2.12 0.00 0.00 175.29 173.91 1x6b s VAL 20 N -1.19 0.30 -0.27 1.09 -7.23 -0.77 -2.51 120.40 109.82 1x6b s VAL 20 Ca 0.06 -0.42 -0.10 0.00 -1.81 0.00 0.00 61.98 59.71 1x6b s VAL 20 Cb -0.10 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 1x6b s VAL 20 CO 0.04 -0.08 0.15 -0.70 -0.31 0.00 0.00 175.10 174.20 1x6b s GLU 21 N -0.54 3.83 0.05 4.82 2.12 -1.17 -1.16 118.70 126.66 1x6b s GLU 21 Ca -0.03 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.61 1x6b s GLU 21 Cb -0.04 -3.54 -0.08 0.00 0.26 0.00 0.00 34.13 30.73 1x6b s GLU 21 CO -0.00 -0.19 1.68 0.42 -0.54 0.00 0.00 175.26 176.63 1x6b s ILE 22 N 1.71 3.10 -0.10 -3.70 -1.09 0.35 -2.46 121.20 119.01 1x6b s ILE 22 Ca 0.07 0.47 0.13 0.00 -2.23 0.00 0.00 60.65 59.10 1x6b s ILE 22 Cb -0.16 -3.30 -0.01 0.00 -1.58 0.00 0.00 42.46 37.41 1x6b s ILE 22 CO 0.08 -0.01 1.37 0.71 -1.23 0.00 0.00 174.94 175.86 1x6b h THR 23 N 4.98 1.01 -2.86 2.92 1.35 -1.81 1.69 112.91 120.19 1x6b h THR 23 Ca -0.43 -2.45 -0.11 0.00 -0.55 0.00 0.00 66.41 62.87 1x6b h THR 23 Cb 1.20 2.49 -0.21 0.00 -1.73 0.00 0.00 68.15 69.90 1x6b h THR 23 CO 0.93 0.58 -0.21 -1.59 -0.25 0.00 0.00 175.52 174.98 1x6b s LYS 24 N -2.90 0.68 0.27 4.72 -2.85 -1.26 -4.35 119.74 114.04 1x6b s LYS 24 Ca 0.03 -0.01 -0.29 0.00 -1.00 0.00 0.00 55.97 54.70 1x6b s LYS 24 Cb 0.08 0.31 -0.14 0.00 -2.06 0.00 0.00 37.83 36.02 1x6b s LYS 24 CO 0.77 -0.18 1.12 0.00 0.10 0.00 0.00 175.35 177.16 1x6b n ALA 25 N 1.51 0.02 -3.88 0.59 0.00 -1.26 -4.60 120.51 112.89 1x6b n ALA 25 Ca -0.20 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1x6b n ALA 25 Cb 0.56 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.80 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 -0.77 3.02 -0.12 0.00 5.36 -0.85 -4.90 117.98 119.72 1x6b s PHE 26 Ca 0.62 -3.07 -0.29 0.00 -0.96 0.00 0.00 56.93 53.23 1x6b s PHE 26 Cb -0.71 -2.57 -0.07 0.00 -0.34 0.00 0.00 43.02 39.34 1x6b s PHE 26 CO 0.57 -0.70 2.12 1.19 -1.46 0.00 0.00 175.22 176.95 1x6b n PHE 27 N 2.85 2.18 -1.73 10.12 3.72 -1.26 -2.49 117.46 130.85 1x6b n PHE 27 Ca 0.11 -0.22 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 1x6b n PHE 27 Cb 0.34 -2.76 -0.02 0.00 -0.94 0.00 0.00 39.48 36.10 1x6b n PHE 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x6b n ALA 28 N 10.00 2.72 -0.08 4.37 0.00 -1.26 -4.88 120.51 131.37 1x6b n ALA 28 Ca 0.26 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 54.00 1x6b n ALA 28 Cb 0.43 -2.50 -0.09 0.00 0.00 0.00 0.00 19.45 17.29 1x6b n ALA 28 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1x6b n LYS 29 N 3.27 1.08 -2.14 0.00 -0.00 -1.26 -4.90 118.16 114.21 1x6b n LYS 29 Ca 0.13 0.05 -0.17 0.00 -0.00 0.00 0.00 58.31 58.32 1x6b n LYS 29 Cb 0.35 -1.34 0.09 0.00 -0.00 0.00 0.00 35.03 34.13 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 -2.76 0.11 0.00 -1.58 1.13 -1.26 -5.00 117.38 108.02 1x6b n GLN 30 Ca -0.26 -2.11 0.12 0.00 -1.94 0.00 0.00 57.00 52.81 1x6b n GLN 30 Cb 0.88 -0.48 0.25 0.00 0.11 0.00 0.00 30.24 30.99 1x6b n GLN 30 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x6b n ALA 31 N -2.89 3.46 -0.02 -1.58 0.00 -1.26 -3.71 120.51 114.50 1x6b n ALA 31 Ca -0.12 -0.43 0.07 0.00 0.00 0.00 0.00 53.44 52.96 1x6b n ALA 31 Cb 0.45 -1.06 -0.15 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.97 0.42 -3.20 0.00 2.03 -1.26 -4.98 116.55 108.59 1x6b n ASP 32 Ca 0.09 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.20 1x6b n ASP 32 Cb 0.35 1.77 0.17 0.00 -0.72 0.00 0.00 41.12 42.69 1x6b n ASP 32 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x6b n GLU 33 N -2.27 -2.43 -3.65 -0.67 1.02 -1.24 0.87 120.64 112.26 1x6b n GLU 33 Ca -0.08 -1.15 -0.09 0.00 -0.02 0.00 0.00 57.16 55.82 1x6b n GLU 33 Cb 0.61 -1.08 -0.08 0.00 -0.02 0.00 0.00 31.44 30.87 1x6b n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x6b s VAL 34 N -2.30 -0.00 0.20 2.62 0.11 -1.23 -4.27 120.40 115.52 1x6b s VAL 34 Ca 0.47 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.23 1x6b s VAL 34 Cb -0.05 -0.91 -0.09 0.00 -1.53 0.00 0.00 36.38 33.81 1x6b s VAL 34 CO 0.36 0.01 1.39 -0.89 -3.33 0.00 0.00 175.10 172.64 1x6b s THR 35 N 1.34 2.98 0.33 5.04 2.01 -1.25 -4.22 115.64 121.88 1x6b s THR 35 Ca -0.08 0.78 0.03 0.00 0.31 0.00 0.00 61.69 62.74 1x6b s THR 35 Cb -0.06 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 1x6b s THR 35 CO -0.14 0.10 0.07 -0.76 -0.69 0.00 0.00 174.62 173.20 1x6b s LEU 36 N 0.13 2.10 0.44 4.42 1.43 -1.04 -4.91 118.68 121.25 1x6b s LEU 36 Ca 0.60 -1.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.31 1x6b s LEU 36 Cb -0.39 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 1x6b s LEU 36 CO 0.38 -0.67 0.06 -1.10 0.23 0.00 0.00 176.35 175.25 1x6b s GLN 37 N -3.88 2.02 -0.01 1.70 -1.52 -1.26 -2.00 119.66 114.70 1x6b s GLN 37 Ca 0.34 -2.25 -0.30 0.00 -1.95 0.00 0.00 55.36 51.21 1x6b s GLN 37 Cb 0.08 -1.07 -0.05 0.00 -0.22 0.00 0.00 33.01 31.75 1x6b s GLN 37 CO 0.15 -0.38 1.31 -1.14 -0.25 0.00 0.00 175.29 174.98 1x6b s GLN 38 N -3.79 4.32 -0.57 2.91 0.74 -1.26 -3.09 119.66 118.92 1x6b s GLN 38 Ca 0.18 1.84 -0.01 0.00 0.05 0.00 0.00 55.36 57.42 1x6b s GLN 38 Cb 0.03 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.60 1x6b s GLN 38 CO 0.10 -0.50 0.48 0.00 -0.55 0.00 0.00 175.29 174.82 1x6b n ALA 39 N 5.16 -0.90 -2.95 1.58 0.00 0.57 -4.96 120.51 119.01 1x6b n ALA 39 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 1x6b n ALA 39 Cb 0.45 -1.60 -0.13 0.00 0.00 0.00 0.00 19.45 18.17 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 -3.57 4.44 0.14 0.00 1.11 -1.09 -4.83 116.67 112.87 1x6b s ASP 40 Ca 0.04 -0.20 -0.21 0.00 0.18 0.00 0.00 52.55 52.36 1x6b s ASP 40 Cb -0.02 -1.62 -0.07 0.00 1.07 0.00 0.00 42.92 42.28 1x6b s ASP 40 CO 0.34 0.19 0.66 -0.69 1.18 0.00 0.00 175.17 176.86 1x6b s VAL 41 N 0.20 4.60 -0.03 -1.27 1.01 -1.26 0.13 120.40 123.79 1x6b s VAL 41 Ca -0.05 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1x6b s VAL 41 Cb -0.14 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1x6b s VAL 41 CO 0.04 0.45 0.01 -0.69 0.00 0.00 0.00 175.10 174.92 1x6b s VAL 42 N -1.23 0.07 -0.46 2.92 1.01 -0.31 -2.99 120.40 119.40 1x6b s VAL 42 Ca 0.34 0.15 -0.24 0.00 0.00 0.00 0.00 61.98 62.24 1x6b s VAL 42 Cb -0.20 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.03 1x6b s VAL 42 CO 0.22 0.12 0.83 -0.22 0.00 0.00 0.00 175.10 176.05 1x6b s LEU 43 N 1.05 4.20 0.33 3.92 2.96 0.23 -1.85 118.68 129.52 1x6b s LEU 43 Ca -0.09 -0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.42 1x6b s LEU 43 Cb -0.13 -2.99 -0.11 0.00 0.50 0.00 0.00 46.19 43.45 1x6b s LEU 43 CO -0.02 -0.98 1.53 -0.69 -1.32 0.00 0.00 176.35 174.87 1x6b s VAL 44 N 3.45 2.10 -0.01 1.68 1.01 0.95 0.20 120.40 129.77 1x6b s VAL 44 Ca 0.31 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1x6b s VAL 44 Cb -0.12 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1x6b s VAL 44 CO 0.23 0.02 -0.01 0.18 0.00 0.00 0.00 175.10 175.52 1x6b n LEU 45 N 1.34 2.66 -3.66 3.92 4.77 0.48 -4.43 117.00 122.07 1x6b n LEU 45 Ca 0.04 -0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.82 1x6b n LEU 45 Cb 0.38 -0.03 -0.18 0.00 -2.33 0.00 0.00 43.42 41.27 1x6b n LEU 45 CO 0.63 0.46 -0.33 -1.10 -1.33 0.00 0.00 177.39 175.72 1x6b s GLN 46 N -2.02 -0.06 -0.37 3.23 -0.21 -0.85 -4.98 119.66 114.41 1x6b s GLN 46 Ca -0.01 0.35 -0.17 0.00 0.02 0.00 0.00 55.36 55.55 1x6b s GLN 46 Cb 0.00 -0.61 0.00 0.00 1.00 0.00 0.00 33.01 33.40 1x6b s GLN 46 CO 0.02 -0.36 0.44 -0.65 -2.12 0.00 0.00 175.29 172.62 1x6b s GLN 47 N 2.18 3.42 -0.23 2.91 -0.21 -1.26 0.74 119.66 127.20 1x6b s GLN 47 Ca 0.05 -0.45 0.02 0.00 0.02 0.00 0.00 55.36 54.99 1x6b s GLN 47 Cb -0.12 -3.86 0.04 0.00 1.00 0.00 0.00 33.01 30.07 1x6b s GLN 47 CO -0.04 -0.68 -0.15 -2.00 -2.12 0.00 0.00 175.29 170.30 1x6b s GLU 48 N 2.19 2.53 -0.81 2.91 2.12 0.12 -4.99 118.70 122.78 1x6b s GLU 48 Ca 0.14 -1.14 -0.31 0.00 0.36 0.00 0.00 54.97 54.02 1x6b s GLU 48 Cb -0.16 -2.76 -0.20 0.00 0.26 0.00 0.00 34.13 31.27 1x6b s GLU 48 CO 0.13 -0.43 2.36 -0.25 -0.54 0.00 0.00 175.26 176.53 1x6b n ASP 49 N 4.51 0.37 0.00 -1.70 8.00 -1.26 0.19 116.55 126.66 1x6b n ASP 49 Ca -0.17 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1x6b n ASP 49 Cb 0.45 -0.84 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 6.18 3.38 2.95 0.44 0.00 -1.26 -5.07 105.19 111.82 1x6b n GLY 50 Ca 0.58 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.05 0.11 -0.23 1.61 0.52 0.51 -4.65 118.94 116.77 1x6b s TRP 51 Ca 0.00 -0.23 -0.00 0.00 0.02 0.00 0.00 56.10 55.89 1x6b s TRP 51 Cb 0.00 -0.09 0.03 0.00 -1.15 0.00 0.00 33.47 32.26 1x6b s TRP 51 CO 0.00 -0.12 -0.11 -0.51 0.02 0.00 0.00 176.95 176.23 1x6b s LEU 52 N -0.78 2.91 0.16 2.99 2.01 0.12 -0.70 118.68 125.39 1x6b s LEU 52 Ca -0.09 -0.89 -0.17 0.00 0.01 0.00 0.00 54.13 52.99 1x6b s LEU 52 Cb -0.05 -1.59 -0.07 0.00 0.01 0.00 0.00 46.19 44.48 1x6b s LEU 52 CO -0.00 -0.10 0.62 -0.47 1.01 0.00 0.00 176.35 177.41 1x6b s TYR 53 N 1.28 3.66 0.02 0.29 5.04 0.23 -0.41 117.35 127.45 1x6b s TYR 53 Ca 0.00 1.22 -0.02 0.00 -2.44 0.00 0.00 57.07 55.83 1x6b s TYR 53 Cb -0.16 -2.49 0.01 0.00 0.35 0.00 0.00 41.96 39.67 1x6b s TYR 53 CO -0.07 0.42 0.12 0.41 -1.34 0.00 0.00 175.55 175.09 1x6b n GLY 54 N 0.93 1.31 2.96 8.97 0.00 -0.94 0.18 105.19 118.61 1x6b n GLY 54 Ca -0.05 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.01 1.87 -0.53 1.61 2.12 0.53 -2.01 118.70 120.29 1x6b s GLU 55 Ca 0.03 -0.42 -0.27 0.00 0.36 0.00 0.00 54.97 54.67 1x6b s GLU 55 Cb -0.00 -1.86 -0.04 0.00 0.26 0.00 0.00 34.13 32.49 1x6b s GLU 55 CO 0.01 -0.27 2.02 0.50 -0.54 0.00 0.00 175.26 176.98 1x6b s ARG 56 N 1.60 2.58 0.64 4.30 3.52 0.14 -0.60 118.95 131.13 1x6b s ARG 56 Ca 0.05 0.99 0.28 0.00 -0.13 0.00 0.00 55.73 56.91 1x6b s ARG 56 Cb -0.13 -4.42 1.49 0.00 -1.56 0.00 0.00 34.95 30.33 1x6b s ARG 56 CO -0.09 -2.76 1.86 -0.07 -0.81 0.00 0.00 175.30 173.42 1x6b h LEU 57 N 16.96 0.00 -0.13 -0.88 -0.00 -1.85 1.69 115.31 131.11 1x6b h LEU 57 Ca -0.27 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.63 1x6b h LEU 57 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.82 1x6b h LEU 57 CO 1.17 0.00 -0.26 -0.09 -0.00 0.00 0.00 178.44 179.26 1x6b h ARG 58 N 0.00 -0.23 0.00 1.13 2.43 -1.87 -3.34 114.38 112.50 1x6b h ARG 58 Ca 0.06 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1x6b h ARG 58 Cb 0.90 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1x6b h ARG 58 CO -0.00 -0.15 -1.35 -3.47 -1.51 0.00 0.00 179.97 173.49 1x6b n ASP 59 N -3.95 3.55 0.00 -3.80 2.03 -0.84 -5.01 116.55 108.53 1x6b n ASP 59 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1x6b n ASP 59 Cb 0.17 0.93 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 2.42 1.26 3.69 0.27 0.00 0.57 -5.06 105.19 108.34 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 -0.47 4.26 -0.34 1.61 2.12 -1.18 -4.60 118.70 120.10 1x6b s GLU 61 Ca 0.00 2.09 -0.10 0.00 0.36 0.00 0.00 54.97 57.32 1x6b s GLU 61 Cb 0.00 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.88 1x6b s GLU 61 CO 0.00 -0.60 0.17 0.99 -0.54 0.00 0.00 175.26 175.28 1x6b s THR 62 N 2.25 4.54 0.18 -1.70 2.01 -1.26 0.28 115.64 121.94 1x6b s THR 62 Ca 0.67 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1x6b s THR 62 Cb -0.35 -3.42 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 1x6b s THR 62 CO 0.29 -0.07 0.22 0.61 -0.69 0.00 0.00 174.62 174.98 1x6b n GLY 63 N 4.98 2.85 3.75 4.40 0.00 -0.85 -4.95 105.19 115.38 1x6b n GLY 63 Ca -0.13 -1.58 -0.37 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 3.52 -0.03 1.61 0.52 0.25 -2.20 118.94 119.03 1x6b s TRP 64 Ca 0.17 0.70 0.01 0.00 0.02 0.00 0.00 56.10 57.00 1x6b s TRP 64 Cb -0.00 -2.34 0.02 0.00 -1.15 0.00 0.00 33.47 30.00 1x6b s TRP 64 CO 0.12 0.32 -0.03 -0.59 0.02 0.00 0.00 176.95 176.79 1x6b s PHE 65 N 0.15 0.51 0.55 -1.98 -0.12 0.45 -3.53 117.98 114.00 1x6b s PHE 65 Ca 0.19 -0.10 -0.17 0.00 -0.05 0.00 0.00 56.93 56.80 1x6b s PHE 65 Cb -0.14 -0.48 -0.06 0.00 -0.63 0.00 0.00 43.02 41.72 1x6b s PHE 65 CO 0.06 -0.12 1.04 -1.25 -0.05 0.00 0.00 175.22 174.90 1x6b s PRO 66 N 0.72 3.53 0.17 1.99 0.04 -1.26 0.14 135.00 140.33 1x6b s PRO 66 Ca -0.08 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.17 1x6b s PRO 66 Cb -0.12 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1x6b s PRO 66 CO -0.01 -0.64 1.42 1.05 0.04 0.00 0.00 177.00 178.87 1x6b h GLU 67 N 0.84 0.40 -0.18 4.56 4.11 -1.88 -2.87 114.58 119.56 1x6b h GLU 67 Ca -0.48 -0.34 0.05 0.00 0.07 0.00 0.00 59.36 58.67 1x6b h GLU 67 Cb 1.22 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1x6b h GLU 67 CO 0.58 0.98 0.42 0.22 0.07 0.00 0.00 179.01 181.28 1x6b h ASP 68 N 0.27 0.00 -0.32 3.06 3.58 -1.93 1.48 116.42 122.55 1x6b h ASP 68 Ca -0.03 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1x6b h ASP 68 Cb 1.32 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 1x6b h ASP 68 CO 0.13 0.00 0.00 0.49 -2.88 0.00 0.00 179.24 176.98 1x6b n PHE 69 N -3.21 1.17 -3.96 0.28 3.01 -1.09 -4.98 117.46 108.68 1x6b n PHE 69 Ca 0.02 -0.88 -0.09 0.00 1.01 0.00 0.00 57.45 57.51 1x6b n PHE 69 Cb 0.52 -0.36 -0.05 0.00 -0.01 0.00 0.00 39.48 39.58 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 -2.84 -0.26 -0.19 4.37 0.00 0.50 -3.13 121.76 120.21 1x6b s ALA 70 Ca 0.45 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1x6b s ALA 70 Cb 0.36 1.01 0.06 0.00 0.00 0.00 0.00 23.12 24.55 1x6b s ALA 70 CO 0.10 -0.80 0.05 1.03 0.00 0.00 0.00 175.76 176.14 1x6b s ARG 71 N -3.99 0.46 -0.56 0.00 0.52 -1.03 -4.82 118.95 109.53 1x6b s ARG 71 Ca 0.20 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.80 1x6b s ARG 71 Cb 0.00 -2.02 -0.12 0.00 0.52 0.00 0.00 34.95 33.34 1x6b s ARG 71 CO 0.06 -0.65 2.42 1.19 0.02 0.00 0.00 175.30 178.33 1x6b n PHE 72 N 5.13 1.30 0.25 -0.53 3.72 -1.26 -3.04 117.46 123.02 1x6b n PHE 72 Ca -0.08 0.21 -0.16 0.00 -0.05 0.00 0.00 57.45 57.37 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 7.59 0.54 -3.17 4.37 2.04 -1.87 -3.44 117.51 123.56 1x6b h ILE 73 Ca -0.21 -0.16 -0.21 0.00 1.00 0.00 0.00 64.86 65.28 1x6b h ILE 73 Cb 1.29 0.62 -0.30 0.00 -0.74 0.00 0.00 36.82 37.69 1x6b h ILE 73 CO 1.17 0.03 -0.53 -0.55 0.00 0.00 0.00 178.15 178.26 1x6b s SER 74 N -4.72 -0.19 0.00 1.72 0.15 -1.26 -4.99 113.70 104.42 1x6b s SER 74 Ca -0.16 0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1x6b s SER 74 Cb 0.04 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1x6b s SER 74 CO 0.60 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.52 1x6b n GLY 75 N 3.93 -0.84 3.79 9.45 0.00 -1.26 -4.35 105.19 115.91 1x6b n GLY 75 Ca -0.23 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.14 0.35 1.61 0.04 -1.26 -5.01 135.00 131.88 1x6b s PRO 76 Ca 0.00 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1x6b s PRO 76 Cb 0.00 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1x6b s PRO 76 CO 0.00 -2.19 0.00 0.43 0.04 0.00 0.00 177.00 175.28 1x6b n SER 77 N -3.76 -1.68 -4.73 6.66 7.64 -1.26 -5.09 113.62 111.39 1x6b n SER 77 Ca 0.07 0.64 -0.39 0.00 1.01 0.00 0.00 58.87 60.19 1x6b n SER 77 Cb 0.59 1.71 -0.05 0.00 -1.01 0.00 0.00 64.21 65.45 1x6b n SER 77 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x6b s SER 78 N -3.83 7.01 0.00 6.43 1.04 -1.26 -5.30 113.70 117.79 1x6b s SER 78 Ca 0.00 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.64 1x6b s SER 78 Cb 0.00 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1x6b s SER 78 CO 0.00 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.80