#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 -0.34 0.40 1.61 1.04 -1.26 -5.09 113.70 110.07 1x6b s SER 2 Ca 0.00 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1x6b s SER 2 Cb 0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1x6b s SER 2 CO 0.00 -0.29 0.00 -1.20 0.98 0.00 0.00 173.24 172.73 1x6b n SER 3 N 0.85 -2.80 0.00 7.02 7.64 -1.26 -5.17 113.62 119.89 1x6b n SER 3 Ca -0.09 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1x6b n SER 3 Cb 0.58 2.69 0.00 0.00 -1.01 0.00 0.00 64.21 66.47 1x6b n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6b n GLY 4 N -0.46 -0.79 3.52 0.23 0.00 -1.26 -5.17 105.19 101.27 1x6b n GLY 4 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.00 -0.64 0.35 1.61 0.15 -1.26 -5.18 113.70 104.73 1x6b s SER 5 Ca 0.00 0.68 0.07 0.00 0.70 0.00 0.00 55.95 57.41 1x6b s SER 5 Cb 0.00 0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 64.82 1x6b s SER 5 CO 0.00 -0.61 0.33 -0.94 1.20 0.00 0.00 173.24 173.22 1x6b s SER 6 N -1.24 5.36 0.19 5.45 1.04 -1.26 -5.02 113.70 118.22 1x6b s SER 6 Ca -0.10 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1x6b s SER 6 Cb -0.00 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.17 1x6b s SER 6 CO 0.09 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1x6b n GLY 7 N -1.44 -3.00 3.27 7.32 0.00 -1.26 -4.78 105.19 105.29 1x6b n GLY 7 Ca -0.01 -1.25 -0.44 0.00 0.00 0.00 0.00 46.02 44.32 1x6b n GLY 7 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x6b s TRP 8 N -3.86 3.56 -0.53 1.61 -0.11 -1.26 -5.02 118.94 113.33 1x6b s TRP 8 Ca 0.00 -1.97 -0.27 0.00 1.22 0.00 0.00 56.10 55.07 1x6b s TRP 8 Cb 0.00 -3.66 -0.01 0.00 -1.50 0.00 0.00 33.47 28.29 1x6b s TRP 8 CO 0.00 -0.97 1.77 -1.14 -4.62 0.00 0.00 176.95 171.99 1x6b s GLN 9 N 0.56 2.92 0.00 5.86 -0.44 -1.26 -3.65 119.66 123.65 1x6b s GLN 9 Ca 0.13 0.81 0.00 0.00 -2.50 0.00 0.00 55.36 53.80 1x6b s GLN 9 Cb -0.18 -4.29 0.00 0.00 -1.64 0.00 0.00 33.01 26.90 1x6b s GLN 9 CO -0.05 -2.37 0.00 0.41 0.50 0.00 0.00 175.29 173.78 1x6b n GLY 10 N 5.55 -0.41 3.57 2.59 0.00 -1.26 -5.05 105.19 110.18 1x6b n GLY 10 Ca 0.20 0.32 -0.35 0.00 0.00 0.00 0.00 46.02 46.19 1x6b n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x6b s LEU 11 N 0.00 3.40 0.00 0.99 1.43 -1.24 -4.73 118.68 118.52 1x6b s LEU 11 Ca 0.00 -1.70 0.00 0.00 -1.03 0.00 0.00 54.13 51.40 1x6b s LEU 11 Cb 0.00 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1x6b s LEU 11 CO 0.00 -2.14 0.00 -1.20 0.23 0.00 0.00 176.35 173.24 1x6b n SER 12 N 11.45 0.00 -0.01 2.29 7.64 -1.26 -5.05 113.62 128.69 1x6b n SER 12 Ca 0.43 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.31 1x6b n SER 12 Cb 0.47 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1x6b n SER 12 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x6b h SER 13 N 0.00 -0.04 -3.54 6.43 0.02 -2.04 -3.50 113.55 110.89 1x6b h SER 13 Ca 0.00 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.22 1x6b h SER 13 Cb 0.00 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.47 1x6b h SER 13 CO 0.00 0.23 -0.44 0.29 -1.14 0.00 0.00 176.83 175.77 1x6b n LYS 14 N -3.56 -2.07 0.00 3.45 5.02 -1.26 -5.08 118.16 114.66 1x6b n LYS 14 Ca -0.01 1.42 0.00 0.00 -2.02 0.00 0.00 58.31 57.71 1x6b n LYS 14 Cb 0.02 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.52 1x6b n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x6b n GLY 15 N -3.40 4.10 3.72 0.72 0.00 -1.26 -5.06 105.19 104.01 1x6b n GLY 15 Ca -0.00 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 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 -5.02 -4.71 1.61 8.00 -1.26 -4.96 116.55 110.21 1x6b n ASP 16 Ca 0.00 -0.76 -0.23 0.00 0.71 0.00 0.00 54.79 54.51 1x6b n ASP 16 Cb 0.00 -1.67 -0.06 0.00 -0.02 0.00 0.00 41.12 39.36 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 -4.32 3.37 0.13 0.64 1.43 -1.26 -5.10 118.68 113.58 1x6b s LEU 17 Ca 0.10 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 1x6b s LEU 17 Cb -0.01 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 44.25 1x6b s LEU 17 CO 0.89 -0.07 1.14 -2.16 0.23 0.00 0.00 176.35 176.38 1x6b s PRO 18 N -3.76 4.53 0.03 1.29 0.04 -1.26 -4.87 135.00 131.00 1x6b s PRO 18 Ca 0.33 1.74 0.08 0.00 0.04 0.00 0.00 61.00 63.19 1x6b s PRO 18 Cb -0.06 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1x6b s PRO 18 CO 0.22 -0.05 -0.24 -0.65 0.04 0.00 0.00 177.00 176.31 1x6b s GLN 19 N 0.14 1.95 -0.01 4.56 -0.21 -1.26 -0.19 119.66 124.64 1x6b s GLN 19 Ca 0.53 -1.03 0.03 0.00 0.02 0.00 0.00 55.36 54.91 1x6b s GLN 19 Cb -0.29 -2.05 -0.01 0.00 1.00 0.00 0.00 33.01 31.66 1x6b s GLN 19 CO 0.33 0.53 -0.10 0.14 -2.12 0.00 0.00 175.29 174.07 1x6b s VAL 20 N -0.78 0.83 -0.29 1.09 -7.23 -0.98 -2.68 120.40 110.36 1x6b s VAL 20 Ca 0.12 -0.44 -0.15 0.00 -1.81 0.00 0.00 61.98 59.70 1x6b s VAL 20 Cb -0.10 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1x6b s VAL 20 CO 0.02 0.24 0.36 -0.70 -0.31 0.00 0.00 175.10 174.70 1x6b s GLU 21 N -0.19 3.87 -0.32 4.82 2.12 -0.93 -2.08 118.70 125.99 1x6b s GLU 21 Ca 0.03 -0.13 -0.28 0.00 0.36 0.00 0.00 54.97 54.96 1x6b s GLU 21 Cb -0.05 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 1x6b s GLU 21 CO -0.00 -0.35 2.03 0.42 -0.54 0.00 0.00 175.26 176.82 1x6b s ILE 22 N 2.04 3.24 0.25 -3.70 -1.09 0.39 -2.58 121.20 119.75 1x6b s ILE 22 Ca 0.13 0.23 -0.03 0.00 -2.23 0.00 0.00 60.65 58.75 1x6b s ILE 22 Cb -0.16 -3.35 0.12 0.00 -1.58 0.00 0.00 42.46 37.49 1x6b s ILE 22 CO 0.11 -0.25 1.76 0.71 -1.23 0.00 0.00 174.94 176.04 1x6b h THR 23 N 7.04 1.24 -4.00 2.92 1.35 -1.86 1.91 112.91 121.51 1x6b h THR 23 Ca -0.35 -0.96 -0.17 0.00 -0.55 0.00 0.00 66.41 64.38 1x6b h THR 23 Cb 1.21 0.77 -0.20 0.00 -1.73 0.00 0.00 68.15 68.19 1x6b h THR 23 CO 1.03 0.35 -0.70 -1.59 -0.25 0.00 0.00 175.52 174.36 1x6b s LYS 24 N -5.09 0.34 0.90 4.72 0.00 -1.26 -4.10 119.74 115.25 1x6b s LYS 24 Ca -0.10 -0.66 -0.15 0.00 0.00 0.00 0.00 55.97 55.06 1x6b s LYS 24 Cb 0.15 0.12 -0.04 0.00 0.00 0.00 0.00 37.83 38.06 1x6b s LYS 24 CO 0.82 -0.06 0.07 0.00 0.00 0.00 0.00 175.35 176.18 1x6b n ALA 25 N 1.46 -3.22 -3.29 0.59 0.00 -1.26 -4.61 120.51 110.18 1x6b n ALA 25 Ca -0.23 -0.54 -0.23 0.00 0.00 0.00 0.00 53.44 52.44 1x6b n ALA 25 Cb 0.56 -1.61 -0.08 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.18 0.62 -0.47 0.00 5.36 -0.34 -4.92 117.98 116.04 1x6b s PHE 26 Ca 0.54 -2.01 -0.27 0.00 -0.96 0.00 0.00 56.93 54.23 1x6b s PHE 26 Cb -0.24 -0.71 -0.05 0.00 -0.34 0.00 0.00 43.02 41.68 1x6b s PHE 26 CO 0.70 -0.90 2.18 -0.06 -1.46 0.00 0.00 175.22 175.67 1x6b s PHE 27 N 0.24 1.31 0.38 10.12 0.08 -1.26 -2.86 117.98 125.99 1x6b s PHE 27 Ca 0.32 1.13 -0.27 0.00 0.12 0.00 0.00 56.93 58.23 1x6b s PHE 27 Cb 0.02 -3.82 -0.11 0.00 -0.57 0.00 0.00 43.02 38.55 1x6b s PHE 27 CO -0.17 -2.72 1.33 0.00 -0.10 0.00 0.00 175.22 173.57 1x6b n ALA 28 N 13.97 1.56 -0.07 5.36 0.00 -1.26 -4.91 120.51 135.16 1x6b n ALA 28 Ca 0.30 0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.98 1x6b n ALA 28 Cb 0.52 -2.30 -0.09 0.00 0.00 0.00 0.00 19.45 17.58 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 0.30 1.47 -1.43 0.00 -0.00 -1.26 -4.91 118.16 112.32 1x6b n LYS 29 Ca 0.05 0.03 -0.09 0.00 -0.00 0.00 0.00 58.31 58.30 1x6b n LYS 29 Cb 0.38 -1.31 0.04 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 -2.62 0.41 0.00 -1.58 1.13 -1.26 -5.01 117.38 108.46 1x6b n GLN 30 Ca -0.22 -1.08 0.11 0.00 -1.94 0.00 0.00 57.00 53.87 1x6b n GLN 30 Cb 0.85 -0.23 0.05 0.00 0.11 0.00 0.00 30.24 31.02 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 -2.93 3.71 0.04 -1.58 0.00 -1.26 -3.94 120.51 114.55 1x6b n ALA 31 Ca -0.06 -0.58 0.10 0.00 0.00 0.00 0.00 53.44 52.89 1x6b n ALA 31 Cb 0.23 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 1x6b n ALA 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1x6b n ASP 32 N -0.48 0.41 -4.62 0.00 5.68 -1.26 -4.94 116.55 111.34 1x6b n ASP 32 Ca 0.09 0.16 -0.26 0.00 -0.50 0.00 0.00 54.79 54.28 1x6b n ASP 32 Cb 0.42 1.20 0.11 0.00 -1.14 0.00 0.00 41.12 41.71 1x6b n ASP 32 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1x6b s GLU 33 N -3.38 1.59 -0.03 0.11 2.02 -1.25 0.72 118.70 118.47 1x6b s GLU 33 Ca -0.05 -0.63 -0.07 0.00 0.02 0.00 0.00 54.97 54.25 1x6b s GLU 33 Cb 0.12 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 32.21 1x6b s GLU 33 CO 0.85 -1.62 0.16 0.54 0.02 0.00 0.00 175.26 175.21 1x6b s VAL 34 N -3.37 0.04 0.20 2.63 0.11 -1.21 -4.49 120.40 114.31 1x6b s VAL 34 Ca 0.66 -0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 59.10 1x6b s VAL 34 Cb -0.07 -0.33 -0.08 0.00 -1.53 0.00 0.00 36.38 34.37 1x6b s VAL 34 CO 0.47 -0.17 1.08 -0.89 -3.33 0.00 0.00 175.10 172.25 1x6b s THR 35 N -0.57 3.85 0.12 5.04 2.01 -1.25 -4.11 115.64 120.72 1x6b s THR 35 Ca -0.07 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.63 1x6b s THR 35 Cb -0.04 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1x6b s THR 35 CO 0.01 0.32 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.41 1x6b s LEU 36 N -0.64 2.49 0.35 4.42 1.43 -1.14 -4.93 118.68 120.66 1x6b s LEU 36 Ca 0.47 -0.96 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 1x6b s LEU 36 Cb -0.29 -0.24 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 1x6b s LEU 36 CO 0.36 -0.36 0.09 -1.10 0.23 0.00 0.00 176.35 175.57 1x6b s GLN 37 N -3.54 2.23 0.13 1.70 -1.52 -1.26 -1.20 119.66 116.21 1x6b s GLN 37 Ca 0.12 -1.67 -0.31 0.00 -1.95 0.00 0.00 55.36 51.55 1x6b s GLN 37 Cb 0.02 -2.05 -0.10 0.00 -0.22 0.00 0.00 33.01 30.67 1x6b s GLN 37 CO -0.01 0.09 1.65 -1.14 -0.25 0.00 0.00 175.29 175.63 1x6b s GLN 38 N -3.80 4.19 -0.58 2.91 0.74 -1.26 -2.49 119.66 119.36 1x6b s GLN 38 Ca 0.37 2.41 -0.00 0.00 0.05 0.00 0.00 55.36 58.18 1x6b s GLN 38 Cb -0.01 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.74 1x6b s GLN 38 CO 0.21 -0.70 0.48 0.00 -0.55 0.00 0.00 175.29 174.74 1x6b n ALA 39 N 4.77 -0.94 -2.51 1.58 0.00 0.65 -4.96 120.51 119.10 1x6b n ALA 39 Ca 0.15 -0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.25 1x6b n ALA 39 Cb 0.39 -1.53 -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 -3.61 4.08 0.08 0.00 1.11 -1.04 -4.85 116.67 112.44 1x6b s ASP 40 Ca 0.02 -0.18 -0.11 0.00 0.18 0.00 0.00 52.55 52.46 1x6b s ASP 40 Cb -0.01 -0.90 -0.06 0.00 1.07 0.00 0.00 42.92 43.02 1x6b s ASP 40 CO 0.35 0.34 0.41 -0.69 1.18 0.00 0.00 175.17 176.76 1x6b s VAL 41 N -0.70 5.07 -0.07 -1.27 1.01 -1.26 0.15 120.40 123.32 1x6b s VAL 41 Ca 0.11 0.51 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 1x6b s VAL 41 Cb -0.11 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.66 1x6b s VAL 41 CO 0.01 0.31 0.15 -0.69 0.00 0.00 0.00 175.10 174.88 1x6b s VAL 42 N -1.38 -0.08 -0.46 2.92 1.01 -0.88 -3.29 120.40 118.24 1x6b s VAL 42 Ca 0.33 0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.27 1x6b s VAL 42 Cb -0.14 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 36.01 1x6b s VAL 42 CO 0.18 0.09 0.86 -0.22 0.00 0.00 0.00 175.10 176.00 1x6b s LEU 43 N 1.35 4.13 0.35 3.92 2.96 0.12 -2.32 118.68 129.19 1x6b s LEU 43 Ca -0.07 -0.01 -0.28 0.00 -0.22 0.00 0.00 54.13 53.54 1x6b s LEU 43 Cb -0.12 -3.07 -0.11 0.00 0.50 0.00 0.00 46.19 43.39 1x6b s LEU 43 CO -0.06 -0.99 1.48 -0.69 -1.32 0.00 0.00 176.35 174.77 1x6b s VAL 44 N 3.54 2.15 -0.01 1.68 1.01 0.74 0.20 120.40 129.70 1x6b s VAL 44 Ca 0.33 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1x6b s VAL 44 Cb -0.11 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1x6b s VAL 44 CO 0.24 0.03 -0.01 0.18 0.00 0.00 0.00 175.10 175.54 1x6b n LEU 45 N 0.83 2.98 -3.65 3.92 4.77 0.50 -4.46 117.00 121.90 1x6b n LEU 45 Ca 0.02 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.80 1x6b n LEU 45 Cb 0.39 -0.05 -0.16 0.00 -2.33 0.00 0.00 43.42 41.27 1x6b n LEU 45 CO 0.63 0.52 -0.28 -1.10 -1.33 0.00 0.00 177.39 175.83 1x6b s GLN 46 N -2.03 0.01 -0.31 3.23 -0.21 -0.84 -4.98 119.66 114.53 1x6b s GLN 46 Ca -0.02 0.39 -0.18 0.00 0.02 0.00 0.00 55.36 55.58 1x6b s GLN 46 Cb 0.00 -0.62 -0.02 0.00 1.00 0.00 0.00 33.01 33.38 1x6b s GLN 46 CO 0.03 -0.39 0.50 -0.65 -2.12 0.00 0.00 175.29 172.67 1x6b s GLN 47 N 2.23 3.83 -0.20 2.91 -0.21 -1.26 0.87 119.66 127.84 1x6b s GLN 47 Ca 0.04 0.05 0.01 0.00 0.02 0.00 0.00 55.36 55.48 1x6b s GLN 47 Cb -0.13 -3.73 0.04 0.00 1.00 0.00 0.00 33.01 30.19 1x6b s GLN 47 CO -0.06 -0.50 -0.10 -2.00 -2.12 0.00 0.00 175.29 170.51 1x6b s GLU 48 N 2.34 2.02 -0.84 2.91 2.56 0.16 -4.98 118.70 122.88 1x6b s GLU 48 Ca 0.19 -0.82 -0.32 0.00 0.00 0.00 0.00 54.97 54.03 1x6b s GLU 48 Cb -0.15 -2.39 -0.20 0.00 2.00 0.00 0.00 34.13 33.39 1x6b s GLU 48 CO 0.11 -0.42 2.43 -0.25 -0.56 0.00 0.00 175.26 176.58 1x6b n ASP 49 N 4.69 0.37 0.00 -1.70 8.00 -1.26 0.18 116.55 126.84 1x6b n ASP 49 Ca -0.15 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1x6b n ASP 49 Cb 0.47 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 6.36 3.47 2.97 0.44 0.00 -1.26 -5.05 105.19 112.12 1x6b n GLY 50 Ca 0.60 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 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 0.61 -0.22 1.61 0.52 0.47 -4.54 118.94 117.39 1x6b s TRP 51 Ca 0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 56.10 55.98 1x6b s TRP 51 Cb 0.00 -0.41 0.01 0.00 -1.15 0.00 0.00 33.47 31.92 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 -0.06 2.79 0.16 2.99 2.01 0.86 -0.67 118.68 126.77 1x6b s LEU 52 Ca 0.01 -0.58 -0.17 0.00 0.01 0.00 0.00 54.13 53.40 1x6b s LEU 52 Cb -0.04 -1.66 -0.07 0.00 0.01 0.00 0.00 46.19 44.43 1x6b s LEU 52 CO -0.00 -0.04 0.61 -0.47 1.01 0.00 0.00 176.35 177.45 1x6b s TYR 53 N 1.39 3.64 0.08 0.29 5.04 0.25 -0.36 117.35 127.69 1x6b s TYR 53 Ca 0.04 1.19 -0.08 0.00 -2.44 0.00 0.00 57.07 55.79 1x6b s TYR 53 Cb -0.15 -2.47 0.03 0.00 0.35 0.00 0.00 41.96 39.73 1x6b s TYR 53 CO -0.06 0.42 0.37 0.41 -1.34 0.00 0.00 175.55 175.35 1x6b n GLY 54 N 0.88 1.15 3.07 8.97 0.00 -0.96 0.19 105.19 118.49 1x6b n GLY 54 Ca -0.05 -1.02 -0.25 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 -2.02 1.81 -0.22 1.61 -6.30 0.54 -2.04 118.70 112.08 1x6b s GLU 55 Ca 0.08 -0.50 -0.29 0.00 -2.50 0.00 0.00 54.97 51.76 1x6b s GLU 55 Cb -0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 34.13 32.60 1x6b s GLU 55 CO 0.02 0.09 1.49 0.50 0.02 0.00 0.00 175.26 177.39 1x6b s ARG 56 N 0.47 3.92 0.09 4.30 3.52 0.23 0.10 118.95 131.58 1x6b s ARG 56 Ca -0.12 1.60 0.13 0.00 -0.13 0.00 0.00 55.73 57.21 1x6b s ARG 56 Cb -0.15 -3.95 0.60 0.00 -1.56 0.00 0.00 34.95 29.89 1x6b s ARG 56 CO 0.04 -1.13 1.42 1.28 -0.81 0.00 0.00 175.30 176.10 1x6b n LEU 57 N 7.86 0.20 0.21 -0.88 7.99 -1.21 0.21 117.00 131.39 1x6b n LEU 57 Ca 0.17 0.56 -0.08 0.00 -0.01 0.00 0.00 56.01 56.65 1x6b n LEU 57 Cb 0.45 -0.55 -0.04 0.00 -0.11 0.00 0.00 43.42 43.17 1x6b n LEU 57 CO 0.63 -0.45 0.44 -0.09 -1.51 0.00 0.00 177.39 176.40 1x6b h ARG 58 N 0.00 -0.53 0.00 3.23 2.43 -1.89 -3.40 114.38 114.22 1x6b h ARG 58 Ca 0.00 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1x6b h ARG 58 Cb 0.18 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1x6b h ARG 58 CO 0.00 -0.36 -1.42 -3.47 -1.51 0.00 0.00 179.97 173.22 1x6b n ASP 59 N -3.71 3.30 0.00 -3.80 -0.08 -1.17 -5.00 116.55 106.09 1x6b n ASP 59 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1x6b n ASP 59 Cb 0.22 0.96 0.00 0.00 2.34 0.00 0.00 41.12 44.64 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 2.36 0.99 3.69 0.27 0.00 0.58 -5.04 105.19 108.03 1x6b n GLY 60 Ca -0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 1x6b n GLY 60 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x6b n GLU 61 N -0.92 2.54 -3.74 1.61 2.13 -1.21 -4.37 120.64 116.69 1x6b n GLU 61 Ca 0.00 0.92 -0.37 0.00 0.66 0.00 0.00 57.16 58.37 1x6b n GLU 61 Cb 0.00 -2.78 -0.12 0.00 0.27 0.00 0.00 31.44 28.81 1x6b n GLU 61 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1x6b s THR 62 N 2.40 4.07 0.17 6.31 2.01 -1.26 0.78 115.64 130.13 1x6b s THR 62 Ca 0.82 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1x6b s THR 62 Cb -0.56 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 68.86 1x6b s THR 62 CO 0.39 0.09 0.22 0.61 -0.69 0.00 0.00 174.62 175.24 1x6b n GLY 63 N 4.89 2.83 3.74 4.40 0.00 -0.87 -4.96 105.19 115.23 1x6b n GLY 63 Ca -0.14 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 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 3.47 -0.03 1.61 0.52 0.22 -2.26 118.94 118.82 1x6b s TRP 64 Ca 0.16 0.58 0.01 0.00 0.02 0.00 0.00 56.10 56.87 1x6b s TRP 64 Cb -0.00 -2.30 0.01 0.00 -1.15 0.00 0.00 33.47 30.03 1x6b s TRP 64 CO 0.11 0.29 -0.05 -0.59 0.02 0.00 0.00 176.95 176.73 1x6b s PHE 65 N 0.31 0.66 0.47 -1.98 -0.12 0.51 -3.33 117.98 114.50 1x6b s PHE 65 Ca 0.16 -0.16 -0.21 0.00 -0.05 0.00 0.00 56.93 56.67 1x6b s PHE 65 Cb -0.13 -0.55 -0.09 0.00 -0.63 0.00 0.00 43.02 41.62 1x6b s PHE 65 CO 0.04 -0.13 1.04 -1.25 -0.05 0.00 0.00 175.22 174.87 1x6b s PRO 66 N 0.58 3.88 0.24 1.99 0.04 -1.26 -0.10 135.00 140.38 1x6b s PRO 66 Ca -0.07 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 1x6b s PRO 66 Cb -0.11 -2.19 0.28 0.00 0.04 0.00 0.00 34.50 32.53 1x6b s PRO 66 CO -0.00 -0.37 1.66 1.05 0.04 0.00 0.00 177.00 179.39 1x6b h GLU 67 N 1.77 0.63 -0.64 4.56 4.11 -1.87 -2.39 114.58 120.73 1x6b h GLU 67 Ca -0.49 -0.25 0.19 0.00 0.07 0.00 0.00 59.36 58.87 1x6b h GLU 67 Cb 1.22 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1x6b h GLU 67 CO 0.60 0.82 0.65 0.22 0.07 0.00 0.00 179.01 181.37 1x6b h ASP 68 N 0.55 0.00 -1.08 3.06 3.58 -1.92 0.63 116.42 121.24 1x6b h ASP 68 Ca 0.08 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.89 1x6b h ASP 68 Cb 0.72 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.42 1x6b h ASP 68 CO 0.06 0.00 0.16 0.49 -2.88 0.00 0.00 179.24 177.06 1x6b n PHE 69 N -3.69 3.05 -3.63 0.28 3.01 -0.90 -4.95 117.46 110.63 1x6b n PHE 69 Ca 0.13 -2.68 -0.01 0.00 1.01 0.00 0.00 57.45 55.90 1x6b n PHE 69 Cb 0.88 -0.91 -0.02 0.00 -0.01 0.00 0.00 39.48 39.43 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 -3.75 -2.25 -0.03 4.37 0.00 0.22 -3.96 121.76 116.35 1x6b s ALA 70 Ca 0.57 1.78 0.02 0.00 0.00 0.00 0.00 51.96 54.33 1x6b s ALA 70 Cb 0.46 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.27 1x6b s ALA 70 CO -0.06 -0.62 -0.06 -0.98 0.00 0.00 0.00 175.76 174.04 1x6b s ARG 71 N -2.03 0.80 -0.66 0.00 1.70 -1.06 -4.80 118.95 112.89 1x6b s ARG 71 Ca 0.12 -0.19 -0.26 0.00 -0.47 0.00 0.00 55.73 54.93 1x6b s ARG 71 Cb 0.00 -0.78 -0.01 0.00 -0.57 0.00 0.00 34.95 33.60 1x6b s ARG 71 CO -0.03 0.03 1.72 -0.06 -1.08 0.00 0.00 175.30 175.87 1x6b s PHE 72 N 0.46 1.83 0.02 5.89 0.40 -1.26 -2.19 117.98 123.12 1x6b s PHE 72 Ca -0.06 0.55 -0.07 0.00 -0.60 0.00 0.00 56.93 56.75 1x6b s PHE 72 Cb -0.10 -4.23 -0.03 0.00 0.51 0.00 0.00 43.02 39.17 1x6b s PHE 72 CO 0.00 -2.23 1.10 0.82 0.70 0.00 0.00 175.22 175.62 1x6b h ILE 73 N 6.69 0.00 -1.78 0.64 2.04 -1.90 -3.43 117.51 119.77 1x6b h ILE 73 Ca -0.24 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.46 1x6b h ILE 73 Cb 1.13 0.00 -0.29 0.00 -0.74 0.00 0.00 36.82 36.92 1x6b h ILE 73 CO 1.24 0.00 -0.49 -0.44 0.00 0.00 0.00 178.15 178.46 1x6b s SER 74 N -2.63 0.21 0.00 1.72 0.01 -1.26 -5.12 113.70 106.62 1x6b s SER 74 Ca -0.03 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1x6b s SER 74 Cb 0.01 1.17 0.00 0.00 0.21 0.00 0.00 66.02 67.41 1x6b s SER 74 CO 0.11 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1x6b n GLY 75 N 5.36 6.07 3.78 3.44 0.00 -1.26 -4.60 105.19 117.97 1x6b n GLY 75 Ca -0.02 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 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 1.33 0.31 0.10 1.61 0.04 -1.26 -5.09 135.00 132.04 1x6b s PRO 76 Ca 0.00 -0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.06 1x6b s PRO 76 Cb 0.00 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1x6b s PRO 76 CO 0.00 -2.70 -0.11 -1.54 0.04 0.00 0.00 177.00 172.69 1x6b s SER 77 N -4.25 1.58 -0.04 6.66 1.04 -1.26 -5.15 113.70 112.28 1x6b s SER 77 Ca 0.69 -0.78 0.03 0.00 0.48 0.00 0.00 55.95 56.36 1x6b s SER 77 Cb -0.10 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.01 1x6b s SER 77 CO 0.54 -0.21 -0.11 -0.44 0.98 0.00 0.00 173.24 173.99 1x6b s SER 78 N -2.35 1.54 0.00 7.02 0.01 -1.26 -5.35 113.70 113.31 1x6b s SER 78 Ca 0.05 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1x6b s SER 78 Cb -0.04 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1x6b s SER 78 CO 0.01 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.33