#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 0.01 0.19 1.61 0.01 -1.26 -5.15 113.70 109.11 1x6b s SER 2 Ca 0.00 0.20 -0.24 0.00 1.31 0.00 0.00 55.95 57.22 1x6b s SER 2 Cb 0.00 0.09 0.06 0.00 0.21 0.00 0.00 66.02 66.37 1x6b s SER 2 CO 0.00 -0.15 0.91 -0.94 0.41 0.00 0.00 173.24 173.47 1x6b s SER 3 N 1.19 -0.17 -0.32 2.44 1.04 -1.26 -5.14 113.70 111.48 1x6b s SER 3 Ca -0.08 -0.51 0.05 0.00 0.48 0.00 0.00 55.95 55.89 1x6b s SER 3 Cb -0.12 0.56 0.18 0.00 0.10 0.00 0.00 66.02 66.73 1x6b s SER 3 CO -0.05 -1.04 0.52 -0.83 0.98 0.00 0.00 173.24 172.83 1x6b s GLY 4 N -2.98 -0.94 0.00 7.32 0.00 -1.26 -5.12 107.32 104.33 1x6b s GLY 4 Ca 0.13 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1x6b s GLY 4 CO 0.04 3.40 0.00 1.44 0.00 0.00 0.00 173.10 177.98 1x6b n SER 5 N 5.07 0.00 -3.62 1.64 7.64 -1.26 -5.18 113.62 117.91 1x6b n SER 5 Ca 0.06 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.88 1x6b n SER 5 Cb 0.52 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.68 1x6b n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x6b s SER 6 N 0.00 -0.17 0.00 6.43 0.15 -1.26 -5.15 113.70 113.71 1x6b s SER 6 Ca 0.00 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1x6b s SER 6 Cb 0.00 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1x6b s SER 6 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1x6b n GLY 7 N 0.60 -0.07 2.99 9.45 0.00 -1.26 -5.16 105.19 111.74 1x6b n GLY 7 Ca -0.04 0.68 -0.14 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 -0.43 0.65 1.61 0.51 -1.26 -5.14 118.94 114.89 1x6b s TRP 8 Ca 0.00 0.93 -0.17 0.00 -2.12 0.00 0.00 56.10 54.74 1x6b s TRP 8 Cb 0.00 -0.05 -0.08 0.00 -0.81 0.00 0.00 33.47 32.52 1x6b s TRP 8 CO 0.00 -0.38 0.30 1.04 -0.51 0.00 0.00 176.95 177.41 1x6b n GLN 9 N 5.35 0.28 0.00 4.98 1.13 -1.26 -4.43 117.38 123.43 1x6b n GLN 9 Ca -0.06 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1x6b n GLN 9 Cb 0.50 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.28 1x6b n GLN 9 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x6b n GLY 10 N 1.99 0.58 2.77 1.08 0.00 -1.26 -5.00 105.19 105.34 1x6b n GLY 10 Ca 0.09 -0.98 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 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 -6.39 0.18 0.99 4.77 -1.26 -4.94 117.00 110.35 1x6b n LEU 11 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1x6b n LEU 11 Cb 0.00 -2.99 0.00 0.00 -2.33 0.00 0.00 43.42 38.10 1x6b n LEU 11 CO 0.00 -1.29 0.00 -1.20 -1.33 0.00 0.00 177.39 173.57 1x6b n SER 12 N -1.24 -3.26 -2.99 -1.43 7.64 -1.26 -5.11 113.62 105.97 1x6b n SER 12 Ca 0.03 0.80 -0.00 0.00 1.01 0.00 0.00 58.87 60.71 1x6b n SER 12 Cb 0.47 3.14 -0.00 0.00 -1.01 0.00 0.00 64.21 66.80 1x6b n SER 12 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x6b n SER 13 N -3.32 -6.66 -4.79 6.43 7.64 -1.26 -5.01 113.62 106.64 1x6b n SER 13 Ca 0.00 0.86 -0.26 0.00 1.01 0.00 0.00 58.87 60.48 1x6b n SER 13 Cb 0.00 -2.99 -0.05 0.00 -1.01 0.00 0.00 64.21 60.15 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 -1.04 2.24 0.00 1.43 0.00 -1.26 -5.09 119.74 116.02 1x6b s LYS 14 Ca -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 55.97 53.99 1x6b s LYS 14 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 37.83 35.87 1x6b s LYS 14 CO 0.30 -0.29 0.00 0.41 0.00 0.00 0.00 175.35 175.77 1x6b n GLY 15 N -1.40 0.32 0.63 0.59 0.00 -1.26 -4.99 105.19 99.08 1x6b n GLY 15 Ca -0.04 0.29 0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 1.81 -4.28 1.61 8.00 -1.26 -5.07 116.55 117.36 1x6b n ASP 16 Ca 0.00 -3.86 -0.34 0.00 0.71 0.00 0.00 54.79 51.30 1x6b n ASP 16 Cb 0.00 -0.54 0.09 0.00 -0.02 0.00 0.00 41.12 40.66 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 -1.13 -2.11 -4.77 0.64 4.77 -1.26 -4.90 117.00 108.24 1x6b n LEU 17 Ca 0.20 0.29 -0.38 0.00 -0.03 0.00 0.00 56.01 56.08 1x6b n LEU 17 Cb 0.72 -1.06 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 1x6b n LEU 17 CO -0.02 -4.42 0.76 -2.16 -1.33 0.00 0.00 177.39 170.22 1x6b s PRO 18 N -3.09 4.42 -0.03 3.23 0.04 -1.26 -4.88 135.00 133.44 1x6b s PRO 18 Ca 0.51 1.65 0.04 0.00 0.04 0.00 0.00 61.00 63.25 1x6b s PRO 18 Cb -0.20 -2.89 -0.01 0.00 0.04 0.00 0.00 34.50 31.44 1x6b s PRO 18 CO 0.72 0.06 -0.16 -0.65 0.04 0.00 0.00 177.00 177.01 1x6b s GLN 19 N -1.93 1.54 -0.01 4.56 -0.21 -1.26 -0.66 119.66 121.70 1x6b s GLN 19 Ca 0.51 -0.57 0.07 0.00 0.02 0.00 0.00 55.36 55.38 1x6b s GLN 19 Cb -0.27 -1.39 -0.02 0.00 1.00 0.00 0.00 33.01 32.33 1x6b s GLN 19 CO 0.34 0.27 -0.21 0.14 -2.12 0.00 0.00 175.29 173.70 1x6b s VAL 20 N -0.08 1.69 -0.28 1.09 -7.23 -1.08 -2.16 120.40 112.35 1x6b s VAL 20 Ca -0.00 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 59.07 1x6b s VAL 20 Cb -0.09 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.41 1x6b s VAL 20 CO 0.01 0.46 0.40 -0.70 -0.31 0.00 0.00 175.10 174.96 1x6b s GLU 21 N -0.55 3.94 -0.08 4.82 2.12 -0.97 -1.84 118.70 126.14 1x6b s GLU 21 Ca 0.08 0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.13 1x6b s GLU 21 Cb -0.08 -3.68 -0.06 0.00 0.26 0.00 0.00 34.13 30.57 1x6b s GLU 21 CO -0.01 -0.35 1.75 0.42 -0.54 0.00 0.00 175.26 176.54 1x6b s ILE 22 N 2.13 3.45 0.22 -3.70 -1.09 0.49 -1.38 121.20 121.31 1x6b s ILE 22 Ca 0.16 0.54 0.08 0.00 -2.23 0.00 0.00 60.65 59.19 1x6b s ILE 22 Cb -0.16 -3.38 -0.09 0.00 -1.58 0.00 0.00 42.46 37.25 1x6b s ILE 22 CO 0.10 -0.09 1.50 0.71 -1.23 0.00 0.00 174.94 175.93 1x6b h THR 23 N 5.80 1.50 -3.07 2.92 1.35 -1.83 2.00 112.91 121.59 1x6b h THR 23 Ca -0.40 -2.46 -0.13 0.00 -0.55 0.00 0.00 66.41 62.87 1x6b h THR 23 Cb 1.19 2.33 -0.22 0.00 -1.73 0.00 0.00 68.15 69.72 1x6b h THR 23 CO 0.96 0.71 -0.33 -1.59 -0.25 0.00 0.00 175.52 175.02 1x6b s LYS 24 N -3.38 0.53 0.78 4.72 -2.85 -1.26 -4.25 119.74 114.04 1x6b s LYS 24 Ca -0.01 0.02 -0.16 0.00 -1.00 0.00 0.00 55.97 54.81 1x6b s LYS 24 Cb 0.12 0.24 -0.09 0.00 -2.06 0.00 0.00 37.83 36.04 1x6b s LYS 24 CO 0.79 -0.12 -0.02 0.00 0.10 0.00 0.00 175.35 176.09 1x6b n ALA 25 N 1.91 -3.16 -3.47 0.59 0.00 -1.25 -4.65 120.51 110.48 1x6b n ALA 25 Ca -0.18 -0.37 -0.28 0.00 0.00 0.00 0.00 53.44 52.61 1x6b n ALA 25 Cb 0.57 -1.54 -0.11 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.02 1.18 -0.35 0.00 5.36 -0.30 -4.90 117.98 116.96 1x6b s PHE 26 Ca 0.55 -2.17 -0.27 0.00 -0.96 0.00 0.00 56.93 54.08 1x6b s PHE 26 Cb -0.32 -1.10 -0.06 0.00 -0.34 0.00 0.00 43.02 41.20 1x6b s PHE 26 CO 0.68 -0.81 2.32 1.19 -1.46 0.00 0.00 175.22 177.14 1x6b n PHE 27 N 3.24 1.70 -1.39 10.12 3.72 -1.26 -2.87 117.46 130.72 1x6b n PHE 27 Ca 0.22 -0.01 -0.45 0.00 -0.05 0.00 0.00 57.45 57.16 1x6b n PHE 27 Cb 0.43 -2.68 -0.02 0.00 -0.94 0.00 0.00 39.48 36.26 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 13.69 -2.56 -0.05 4.37 0.00 -1.25 -4.89 120.51 129.81 1x6b n ALA 28 Ca 0.34 0.31 -0.05 0.00 0.00 0.00 0.00 53.44 54.03 1x6b n ALA 28 Cb 0.49 -1.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 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 1.03 1.83 -3.31 0.00 4.76 -1.26 -4.98 118.16 116.25 1x6b n LYS 29 Ca 0.15 0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.40 1x6b n LYS 29 Cb 0.31 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 1x6b n LYS 29 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1x6b n GLN 30 N -2.48 0.87 0.00 1.97 1.13 -1.26 -5.00 117.38 112.60 1x6b n GLN 30 Ca -0.15 -2.65 0.14 0.00 -1.94 0.00 0.00 57.00 52.39 1x6b n GLN 30 Cb 0.75 0.29 0.56 0.00 0.11 0.00 0.00 30.24 31.96 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 -2.11 2.71 0.63 -1.58 0.00 -1.26 -2.92 120.51 115.97 1x6b n ALA 31 Ca -0.13 -0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.20 1x6b n ALA 31 Cb 0.48 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 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 0.78 -4.85 0.00 -0.08 -1.26 -4.95 116.55 104.86 1x6b n ASP 32 Ca 0.10 -0.67 -0.32 0.00 -1.51 0.00 0.00 54.79 52.39 1x6b n ASP 32 Cb 0.31 1.27 -0.06 0.00 2.34 0.00 0.00 41.12 44.98 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 -2.97 3.98 0.07 -0.67 2.02 -1.15 0.18 118.70 120.16 1x6b s GLU 33 Ca 0.03 0.67 0.09 0.00 0.02 0.00 0.00 54.97 55.77 1x6b s GLU 33 Cb 0.14 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1x6b s GLU 33 CO 0.79 0.10 -0.23 0.54 0.02 0.00 0.00 175.26 176.48 1x6b s VAL 34 N -2.08 1.88 -0.02 2.63 0.11 -1.22 -4.66 120.40 117.04 1x6b s VAL 34 Ca 0.54 -1.41 -0.29 0.00 -2.93 0.00 0.00 61.98 57.89 1x6b s VAL 34 Cb -0.10 -1.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.07 1x6b s VAL 34 CO 0.20 0.16 0.92 -0.89 -3.33 0.00 0.00 175.10 172.16 1x6b s THR 35 N -0.93 4.90 0.30 5.04 2.01 -1.25 -3.97 115.64 121.74 1x6b s THR 35 Ca 0.09 1.93 0.07 0.00 0.31 0.00 0.00 61.69 64.09 1x6b s THR 35 Cb -0.10 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.09 1x6b s THR 35 CO 0.03 0.17 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.32 1x6b s LEU 36 N 1.02 2.52 0.50 4.42 1.43 -1.14 -4.91 118.68 122.52 1x6b s LEU 36 Ca 0.49 -1.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1x6b s LEU 36 Cb -0.20 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 1x6b s LEU 36 CO 0.25 -0.34 0.04 -1.10 0.23 0.00 0.00 176.35 175.44 1x6b s GLN 37 N -3.72 2.17 0.03 1.70 -1.52 -1.26 -1.14 119.66 115.92 1x6b s GLN 37 Ca 0.31 -2.32 -0.30 0.00 -1.95 0.00 0.00 55.36 51.09 1x6b s GLN 37 Cb 0.04 -1.60 -0.06 0.00 -0.22 0.00 0.00 33.01 31.17 1x6b s GLN 37 CO 0.13 -0.33 1.31 -1.14 -0.25 0.00 0.00 175.29 175.00 1x6b s GLN 38 N -3.89 4.35 -0.63 2.91 0.74 -1.26 -2.98 119.66 118.89 1x6b s GLN 38 Ca 0.13 1.88 -0.02 0.00 0.05 0.00 0.00 55.36 57.40 1x6b s GLN 38 Cb 0.02 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1x6b s GLN 38 CO 0.07 -0.43 0.54 0.00 -0.55 0.00 0.00 175.29 174.91 1x6b n ALA 39 N 4.63 -0.86 -2.99 1.58 0.00 0.68 -4.96 120.51 118.58 1x6b n ALA 39 Ca 0.11 0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 1x6b n ALA 39 Cb 0.45 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.67 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 -3.46 4.57 -0.16 0.00 1.11 -1.07 -4.82 116.67 112.84 1x6b s ASP 40 Ca 0.12 -0.19 -0.16 0.00 0.18 0.00 0.00 52.55 52.51 1x6b s ASP 40 Cb -0.05 -1.73 -0.04 0.00 1.07 0.00 0.00 42.92 42.16 1x6b s ASP 40 CO 0.36 0.17 0.38 -0.69 1.18 0.00 0.00 175.17 176.57 1x6b s VAL 41 N 0.37 5.24 -0.03 -1.27 1.01 -1.26 0.18 120.40 124.64 1x6b s VAL 41 Ca -0.06 0.72 0.06 0.00 0.00 0.00 0.00 61.98 62.70 1x6b s VAL 41 Cb -0.15 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1x6b s VAL 41 CO 0.04 0.33 -0.22 -0.69 0.00 0.00 0.00 175.10 174.56 1x6b s VAL 42 N 0.77 1.75 -0.47 2.92 1.01 -0.77 -2.71 120.40 122.90 1x6b s VAL 42 Ca 0.20 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 1x6b s VAL 42 Cb -0.14 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.80 1x6b s VAL 42 CO 0.07 0.49 0.88 -0.22 0.00 0.00 0.00 175.10 176.32 1x6b s LEU 43 N -0.35 4.11 0.39 3.92 2.96 -0.99 -2.62 118.68 126.10 1x6b s LEU 43 Ca 0.04 -0.04 -0.27 0.00 -0.22 0.00 0.00 54.13 53.64 1x6b s LEU 43 Cb -0.10 -3.06 -0.10 0.00 0.50 0.00 0.00 46.19 43.43 1x6b s LEU 43 CO 0.01 -1.03 1.46 -0.69 -1.32 0.00 0.00 176.35 174.78 1x6b s VAL 44 N 3.61 2.11 0.00 1.68 1.01 0.17 0.23 120.40 129.22 1x6b s VAL 44 Ca 0.33 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1x6b s VAL 44 Cb -0.11 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1x6b s VAL 44 CO 0.24 0.02 0.00 0.18 0.00 0.00 0.00 175.10 175.54 1x6b n LEU 45 N 0.34 2.42 -3.69 3.92 4.77 0.45 -4.52 117.00 120.70 1x6b n LEU 45 Ca 0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 1x6b n LEU 45 Cb 0.40 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.33 1x6b n LEU 45 CO 0.62 0.40 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.71 1x6b s GLN 46 N -1.97 0.01 -0.44 3.23 1.11 -0.65 -4.98 119.66 115.97 1x6b s GLN 46 Ca 0.00 0.46 -0.16 0.00 0.01 0.00 0.00 55.36 55.67 1x6b s GLN 46 Cb 0.00 -0.32 0.04 0.00 -1.01 0.00 0.00 33.01 31.73 1x6b s GLN 46 CO 0.00 -0.28 0.36 -0.65 0.01 0.00 0.00 175.29 174.73 1x6b s GLN 47 N 1.99 2.99 -0.23 2.91 -0.21 -1.26 0.89 119.66 126.74 1x6b s GLN 47 Ca 0.01 -1.14 -0.01 0.00 0.02 0.00 0.00 55.36 54.24 1x6b s GLN 47 Cb -0.12 -4.05 0.02 0.00 1.00 0.00 0.00 33.01 29.86 1x6b s GLN 47 CO -0.05 -0.90 -0.09 -2.00 -2.12 0.00 0.00 175.29 170.13 1x6b s GLU 48 N 1.73 2.91 -0.81 2.91 2.12 -0.15 -5.01 118.70 122.41 1x6b s GLU 48 Ca 0.05 -0.92 -0.34 0.00 0.36 0.00 0.00 54.97 54.13 1x6b s GLU 48 Cb -0.21 -2.88 -0.20 0.00 0.26 0.00 0.00 34.13 31.09 1x6b s GLU 48 CO 0.09 -0.34 2.43 -3.47 -0.54 0.00 0.00 175.26 173.43 1x6b n ASP 49 N 4.66 0.42 0.00 -1.70 -0.08 -1.26 0.13 116.55 118.72 1x6b n ASP 49 Ca -0.18 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1x6b n ASP 49 Cb 0.48 -0.88 0.00 0.00 2.34 0.00 0.00 41.12 43.06 1x6b n ASP 49 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x6b n GLY 50 N 6.58 3.68 2.94 0.27 0.00 -1.26 -5.06 105.19 112.33 1x6b n GLY 50 Ca 0.60 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 0.15 -0.24 1.61 0.52 0.35 -4.67 118.94 116.65 1x6b s TRP 51 Ca 0.00 -0.30 0.01 0.00 0.02 0.00 0.00 56.10 55.83 1x6b s TRP 51 Cb 0.00 -0.11 0.04 0.00 -1.15 0.00 0.00 33.47 32.25 1x6b s TRP 51 CO 0.00 -0.11 -0.11 -0.51 0.02 0.00 0.00 176.95 176.24 1x6b s LEU 52 N -0.85 3.10 0.21 2.99 2.01 0.28 -0.97 118.68 125.44 1x6b s LEU 52 Ca -0.09 -1.06 -0.20 0.00 0.01 0.00 0.00 54.13 52.79 1x6b s LEU 52 Cb -0.06 -1.58 -0.08 0.00 0.01 0.00 0.00 46.19 44.48 1x6b s LEU 52 CO -0.01 -0.13 0.72 -0.47 1.01 0.00 0.00 176.35 177.47 1x6b s TYR 53 N 1.22 3.68 0.19 0.29 5.04 0.26 -0.78 117.35 127.25 1x6b s TYR 53 Ca -0.03 1.40 -0.09 0.00 -2.44 0.00 0.00 57.07 55.91 1x6b s TYR 53 Cb -0.17 -2.62 0.03 0.00 0.35 0.00 0.00 41.96 39.55 1x6b s TYR 53 CO -0.06 0.37 0.47 0.41 -1.34 0.00 0.00 175.55 175.39 1x6b n GLY 54 N 0.87 1.32 2.82 8.97 0.00 -0.99 0.17 105.19 118.34 1x6b n GLY 54 Ca -0.03 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.04 1.01 0.34 1.61 2.12 0.64 -2.36 118.70 120.01 1x6b s GLU 55 Ca 0.10 -0.98 -0.20 0.00 0.36 0.00 0.00 54.97 54.25 1x6b s GLU 55 Cb -0.02 -2.29 -0.14 0.00 0.26 0.00 0.00 34.13 31.93 1x6b s GLU 55 CO 0.06 -0.80 0.14 -2.13 -0.54 0.00 0.00 175.26 171.99 1x6b n ARG 56 N 4.79 0.00 0.00 4.30 0.63 0.51 -2.35 116.66 124.54 1x6b n ARG 56 Ca -0.06 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 56.98 1x6b n ARG 56 Cb 0.44 -0.90 -0.03 0.00 0.45 0.00 0.00 32.46 32.41 1x6b n ARG 56 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1x6b n LEU 57 N 2.07 0.76 0.20 6.15 4.77 -1.10 -2.46 117.00 127.38 1x6b n LEU 57 Ca 0.11 -0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 55.73 1x6b n LEU 57 Cb 0.34 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1x6b n LEU 57 CO 0.50 0.17 0.42 -0.09 -1.33 0.00 0.00 177.39 177.06 1x6b h ARG 58 N 0.00 -0.50 0.00 3.23 2.43 -1.89 -3.40 114.38 114.24 1x6b h ARG 58 Ca 0.00 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1x6b h ARG 58 Cb 0.58 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1x6b h ARG 58 CO 0.00 -0.33 -1.32 -3.47 -1.51 0.00 0.00 179.97 173.34 1x6b n ASP 59 N -3.64 3.77 0.00 -3.80 -0.08 -1.26 -5.01 116.55 106.53 1x6b n ASP 59 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 1x6b n ASP 59 Cb 0.21 0.79 0.00 0.00 2.34 0.00 0.00 41.12 44.46 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 2.56 0.98 3.63 0.27 0.00 -1.03 -5.07 105.19 106.54 1x6b n GLY 60 Ca -0.06 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.35 1x6b n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x6b n GLU 61 N 0.00 0.37 -3.82 1.61 4.71 -1.25 -4.13 120.64 118.12 1x6b n GLU 61 Ca 0.00 0.13 -0.36 0.00 -0.01 0.00 0.00 57.16 56.92 1x6b n GLU 61 Cb 0.00 -1.69 -0.13 0.00 -1.01 0.00 0.00 31.44 28.62 1x6b n GLU 61 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1x6b s THR 62 N 1.68 3.41 0.18 2.62 2.01 -1.26 0.19 115.64 124.47 1x6b s THR 62 Ca 0.96 -1.28 -0.00 0.00 0.31 0.00 0.00 61.69 61.68 1x6b s THR 62 Cb -1.27 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 68.29 1x6b s THR 62 CO 0.65 -0.16 0.24 0.61 -0.69 0.00 0.00 174.62 175.27 1x6b n GLY 63 N 4.72 2.70 3.72 4.40 0.00 -1.00 -4.88 105.19 114.86 1x6b n GLY 63 Ca -0.12 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.78 3.45 -0.05 1.61 0.52 0.47 -2.36 118.94 118.81 1x6b s TRP 64 Ca 0.16 0.61 0.02 0.00 0.02 0.00 0.00 56.10 56.91 1x6b s TRP 64 Cb -0.00 -2.38 0.01 0.00 -1.15 0.00 0.00 33.47 29.95 1x6b s TRP 64 CO 0.11 0.20 -0.10 -0.59 0.02 0.00 0.00 176.95 176.60 1x6b s PHE 65 N 0.58 1.15 0.56 -1.98 -0.12 0.03 -3.45 117.98 114.75 1x6b s PHE 65 Ca 0.17 -0.37 -0.17 0.00 -0.05 0.00 0.00 56.93 56.51 1x6b s PHE 65 Cb -0.13 -0.87 -0.05 0.00 -0.63 0.00 0.00 43.02 41.34 1x6b s PHE 65 CO 0.05 -0.20 1.04 -1.25 -0.05 0.00 0.00 175.22 174.81 1x6b s PRO 66 N 0.58 3.51 0.18 1.99 0.04 -1.26 -0.56 135.00 139.49 1x6b s PRO 66 Ca -0.11 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.13 1x6b s PRO 66 Cb -0.13 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 32.43 1x6b s PRO 66 CO 0.02 -0.65 1.47 1.05 0.04 0.00 0.00 177.00 178.93 1x6b h GLU 67 N 0.79 0.48 -0.11 4.56 4.11 -1.87 -2.76 114.58 119.79 1x6b h GLU 67 Ca -0.48 -0.34 0.03 0.00 0.07 0.00 0.00 59.36 58.64 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 0.96 0.37 0.22 0.07 0.00 0.00 179.01 181.22 1x6b h ASP 68 N 0.35 0.00 -0.40 3.06 3.58 -1.94 1.04 116.42 122.12 1x6b h ASP 68 Ca -0.01 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.26 1x6b h ASP 68 Cb 1.20 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.15 1x6b h ASP 68 CO 0.11 0.00 0.01 0.49 -2.88 0.00 0.00 179.24 176.98 1x6b n PHE 69 N -3.10 1.26 -3.46 0.28 3.01 -1.04 -4.95 117.46 109.47 1x6b n PHE 69 Ca 0.00 -1.46 -0.13 0.00 1.01 0.00 0.00 57.45 56.87 1x6b n PHE 69 Cb 0.45 -0.50 -0.03 0.00 -0.01 0.00 0.00 39.48 39.39 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 -3.16 -1.56 -0.22 4.37 0.00 0.36 -3.40 121.76 118.15 1x6b s ALA 70 Ca 0.45 0.58 -0.00 0.00 0.00 0.00 0.00 51.96 52.99 1x6b s ALA 70 Cb 0.40 0.72 0.06 0.00 0.00 0.00 0.00 23.12 24.30 1x6b s ALA 70 CO 0.03 -0.69 -0.03 1.03 0.00 0.00 0.00 175.76 176.10 1x6b s ARG 71 N -3.31 1.36 -0.51 0.00 0.52 -0.48 -4.80 118.95 111.72 1x6b s ARG 71 Ca -0.01 -0.83 -0.30 0.00 -0.52 0.00 0.00 55.73 54.07 1x6b s ARG 71 Cb -0.01 -2.45 -0.11 0.00 0.52 0.00 0.00 34.95 32.90 1x6b s ARG 71 CO -0.09 -0.61 2.38 1.19 0.02 0.00 0.00 175.30 178.19 1x6b n PHE 72 N 4.78 1.37 0.38 -0.53 3.72 -1.26 -2.29 117.46 123.63 1x6b n PHE 72 Ca -0.11 0.20 -0.18 0.00 -0.05 0.00 0.00 57.45 57.31 1x6b n PHE 72 Cb 0.45 -2.56 -0.09 0.00 -0.94 0.00 0.00 39.48 36.34 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 7.50 0.30 -2.90 4.37 2.04 -1.81 -3.44 117.51 123.59 1x6b h ILE 73 Ca -0.23 -0.04 -0.17 0.00 1.00 0.00 0.00 64.86 65.41 1x6b h ILE 73 Cb 1.29 0.32 -0.29 0.00 -0.74 0.00 0.00 36.82 37.40 1x6b h ILE 73 CO 1.14 0.01 -0.44 -0.44 0.00 0.00 0.00 178.15 178.41 1x6b s SER 74 N -4.39 -0.27 0.00 1.72 0.01 -1.26 -5.05 113.70 104.47 1x6b s SER 74 Ca -0.18 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.72 1x6b s SER 74 Cb 0.03 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1x6b s SER 74 CO 0.60 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.68 1x6b n GLY 75 N 4.39 -2.10 3.60 3.44 0.00 -1.26 -4.40 105.19 108.86 1x6b n GLY 75 Ca -0.22 0.73 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 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 3.61 0.08 1.61 0.04 -1.26 -4.99 135.00 134.09 1x6b s PRO 76 Ca 0.00 0.97 0.04 0.00 0.04 0.00 0.00 61.00 62.05 1x6b s PRO 76 Cb 0.00 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.50 1x6b s PRO 76 CO 0.00 -1.52 -0.11 0.45 0.04 0.00 0.00 177.00 175.86 1x6b s SER 77 N 3.83 1.41 -0.12 6.66 0.15 -1.26 -5.07 113.70 119.29 1x6b s SER 77 Ca 0.61 -0.72 -0.12 0.00 0.70 0.00 0.00 55.95 56.42 1x6b s SER 77 Cb -0.14 -0.00 -0.05 0.00 -1.71 0.00 0.00 66.02 64.11 1x6b s SER 77 CO 0.32 -0.20 -0.25 -0.24 1.20 0.00 0.00 173.24 174.06 1x6b n SER 78 N 0.90 1.62 0.00 5.45 2.88 -1.26 -5.31 113.62 117.90 1x6b n SER 78 Ca -0.19 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1x6b n SER 78 Cb 0.56 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1x6b n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42