#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 -8.96 -3.60 1.61 3.41 -1.26 -5.08 113.62 99.74 1x6b n SER 2 Ca 0.00 1.71 0.00 0.00 -0.26 0.00 0.00 58.87 60.32 1x6b n SER 2 Cb 0.00 -5.03 -0.01 0.00 -0.26 0.00 0.00 64.21 58.91 1x6b n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x6b s SER 3 N -0.55 -0.04 0.00 4.04 0.15 -1.26 -5.13 113.70 110.91 1x6b s SER 3 Ca 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1x6b s SER 3 Cb 0.00 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1x6b s SER 3 CO 0.00 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1x6b n GLY 4 N -0.28 1.60 3.39 9.45 0.00 -1.26 -5.16 105.19 112.92 1x6b n GLY 4 Ca -0.03 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 1x6b n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6b s SER 5 N 0.00 -0.58 0.37 1.61 1.04 -1.26 -5.02 113.70 109.87 1x6b s SER 5 Ca 0.00 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1x6b s SER 5 Cb 0.00 1.70 0.00 0.00 0.10 0.00 0.00 66.02 67.82 1x6b s SER 5 CO 0.00 -0.23 0.00 -1.20 0.98 0.00 0.00 173.24 172.79 1x6b n SER 6 N 5.41 -3.31 0.00 7.02 7.64 -1.26 -5.18 113.62 123.95 1x6b n SER 6 Ca -0.09 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1x6b n SER 6 Cb 0.49 3.17 0.00 0.00 -1.01 0.00 0.00 64.21 66.86 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 -1.44 2.94 0.85 0.23 0.00 -1.26 -5.05 105.19 101.46 1x6b n GLY 7 Ca 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.93 0.00 -2.96 1.61 7.02 -1.26 -5.09 117.44 115.83 1x6b n TRP 8 Ca 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.45 1x6b n TRP 8 Cb 0.00 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 28.84 1x6b n TRP 8 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1x6b n GLN 9 N -3.17 -1.78 -0.85 -0.99 0.00 -1.26 -4.80 117.38 104.53 1x6b n GLN 9 Ca -0.01 1.77 0.00 0.00 -0.00 0.00 0.00 57.00 58.76 1x6b n GLN 9 Cb 0.05 -5.73 0.00 0.00 0.00 0.00 0.00 30.24 24.57 1x6b n GLN 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x6b n GLY 10 N -1.13 -1.61 0.22 1.69 0.00 -1.26 -5.02 105.19 98.09 1x6b n GLY 10 Ca 0.05 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 1x6b n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x6b h LEU 11 N 0.00 -0.43 -0.39 0.99 6.46 -2.03 -3.49 115.31 116.41 1x6b h LEU 11 Ca 0.00 0.01 0.32 0.00 -0.12 0.00 0.00 57.88 58.09 1x6b h LEU 11 Cb 0.00 0.11 -0.13 0.00 -0.73 0.00 0.00 40.66 39.91 1x6b h LEU 11 CO 0.00 -0.09 -0.81 -1.20 -0.62 0.00 0.00 178.44 175.72 1x6b n SER 12 N -4.58 -7.37 -1.25 1.25 7.64 -1.26 -4.99 113.62 103.06 1x6b n SER 12 Ca -0.06 0.92 0.14 0.00 1.01 0.00 0.00 58.87 60.88 1x6b n SER 12 Cb 0.20 -4.03 -0.06 0.00 -1.01 0.00 0.00 64.21 59.32 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 -4.05 -6.67 -1.55 6.43 7.64 -1.26 -5.00 113.62 109.16 1x6b n SER 13 Ca -0.04 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.71 1x6b n SER 13 Cb 0.58 -4.05 0.00 0.00 -1.01 0.00 0.00 64.21 59.73 1x6b n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x6b n LYS 14 N -3.85 -4.40 0.00 1.43 4.76 -1.26 -5.06 118.16 109.78 1x6b n LYS 14 Ca -0.04 3.30 0.00 0.00 -2.87 0.00 0.00 58.31 58.70 1x6b n LYS 14 Cb 0.63 -3.77 0.00 0.00 -1.84 0.00 0.00 35.03 30.04 1x6b n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x6b n GLY 15 N -1.16 0.83 2.53 0.72 0.00 -1.26 -4.99 105.19 101.87 1x6b n GLY 15 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 3.96 -4.21 1.61 8.00 -1.26 -5.09 116.55 119.56 1x6b n ASP 16 Ca 0.00 -3.49 -0.39 0.00 0.71 0.00 0.00 54.79 51.62 1x6b n ASP 16 Cb 0.00 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.63 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 -0.37 -3.64 0.00 0.64 7.99 -1.26 -4.94 117.00 115.42 1x6b n LEU 17 Ca 0.32 0.65 -0.08 0.00 -0.01 0.00 0.00 56.01 56.89 1x6b n LEU 17 Cb 0.68 -0.84 0.06 0.00 -0.11 0.00 0.00 43.42 43.21 1x6b n LEU 17 CO 0.32 -4.74 0.19 -0.81 -1.51 0.00 0.00 177.39 170.84 1x6b n PRO 18 N 1.49 -0.95 -3.75 3.23 -0.04 -1.26 -4.85 135.00 128.87 1x6b n PRO 18 Ca 0.08 -0.50 -0.13 0.00 -0.04 0.00 0.00 63.50 62.91 1x6b n PRO 18 Cb 0.47 -0.39 -0.09 0.00 -0.04 0.00 0.00 33.50 33.44 1x6b n PRO 18 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1x6b s GLN 19 N -3.70 0.58 0.00 0.54 -0.21 -1.26 -2.63 119.66 112.98 1x6b s GLN 19 Ca 0.19 0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.67 1x6b s GLN 19 Cb -0.01 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.26 1x6b s GLN 19 CO 0.14 -0.13 -0.05 0.14 -2.12 0.00 0.00 175.29 173.26 1x6b s VAL 20 N -0.74 0.38 -0.24 1.09 -7.23 -1.16 -2.08 120.40 110.43 1x6b s VAL 20 Ca -0.08 -0.28 -0.12 0.00 -1.81 0.00 0.00 61.98 59.68 1x6b s VAL 20 Cb -0.04 -0.34 -0.05 0.00 0.56 0.00 0.00 36.38 36.51 1x6b s VAL 20 CO 0.03 0.06 0.23 -0.70 -0.31 0.00 0.00 175.10 174.41 1x6b s GLU 21 N -0.25 4.07 -0.08 4.82 2.12 -0.90 -2.35 118.70 126.13 1x6b s GLU 21 Ca 0.01 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.88 1x6b s GLU 21 Cb -0.03 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 1x6b s GLU 21 CO -0.00 -0.03 1.59 0.42 -0.54 0.00 0.00 175.26 176.71 1x6b s ILE 22 N 1.31 3.69 0.18 -3.70 -1.09 0.31 -1.31 121.20 120.60 1x6b s ILE 22 Ca 0.10 0.83 0.07 0.00 -2.23 0.00 0.00 60.65 59.42 1x6b s ILE 22 Cb -0.14 -3.55 -0.13 0.00 -1.58 0.00 0.00 42.46 37.06 1x6b s ILE 22 CO 0.07 -0.09 1.42 0.71 -1.23 0.00 0.00 174.94 175.82 1x6b h THR 23 N 5.60 1.56 -3.35 2.92 1.35 -1.82 1.92 112.91 121.08 1x6b h THR 23 Ca -0.37 -2.74 -0.12 0.00 -0.55 0.00 0.00 66.41 62.63 1x6b h THR 23 Cb 1.17 2.49 -0.19 0.00 -1.73 0.00 0.00 68.15 69.89 1x6b h THR 23 CO 0.96 0.79 -0.37 -1.59 -0.25 0.00 0.00 175.52 175.05 1x6b s LYS 24 N -3.16 0.63 0.36 4.72 0.00 -1.26 -4.24 119.74 116.79 1x6b s LYS 24 Ca -0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 55.97 55.28 1x6b s LYS 24 Cb 0.11 0.27 -0.12 0.00 0.00 0.00 0.00 37.83 38.09 1x6b s LYS 24 CO 0.80 -0.17 1.25 0.00 0.00 0.00 0.00 175.35 177.23 1x6b n ALA 25 N 1.10 1.15 -3.90 0.59 0.00 -1.26 -4.58 120.51 113.62 1x6b n ALA 25 Ca -0.21 0.33 -0.28 0.00 0.00 0.00 0.00 53.44 53.28 1x6b n ALA 25 Cb 0.57 -2.23 -0.12 0.00 0.00 0.00 0.00 19.45 17.66 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 -1.13 3.46 -0.25 0.00 5.36 -0.63 -4.90 117.98 119.89 1x6b s PHE 26 Ca 0.57 -3.29 -0.31 0.00 -0.96 0.00 0.00 56.93 52.94 1x6b s PHE 26 Cb -0.56 -2.68 -0.08 0.00 -0.34 0.00 0.00 43.02 39.36 1x6b s PHE 26 CO 0.61 -0.58 2.17 1.19 -1.46 0.00 0.00 175.22 177.15 1x6b n PHE 27 N 2.16 1.87 -2.20 10.12 3.72 -1.26 -2.91 117.46 128.97 1x6b n PHE 27 Ca 0.18 0.03 -0.41 0.00 -0.05 0.00 0.00 57.45 57.20 1x6b n PHE 27 Cb 0.35 -2.65 -0.03 0.00 -0.94 0.00 0.00 39.48 36.21 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 7.45 3.51 -0.12 4.37 0.00 -1.26 -4.92 121.76 130.80 1x6b s ALA 28 Ca 1.03 1.15 0.06 0.00 0.00 0.00 0.00 51.96 54.20 1x6b s ALA 28 Cb -0.57 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 18.97 1x6b s ALA 28 CO 0.42 -0.54 -0.03 0.36 0.00 0.00 0.00 175.76 175.97 1x6b n LYS 29 N 1.74 1.44 -2.62 0.00 -0.00 -1.26 -4.89 118.16 112.57 1x6b n LYS 29 Ca 0.03 0.03 -0.21 0.00 -0.00 0.00 0.00 58.31 58.16 1x6b n LYS 29 Cb 0.42 -1.27 0.10 0.00 -0.00 0.00 0.00 35.03 34.29 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 -2.60 0.14 0.00 -1.58 1.13 -1.26 -5.00 117.38 108.21 1x6b n GLN 30 Ca -0.20 -2.74 0.12 0.00 -1.94 0.00 0.00 57.00 52.25 1x6b n GLN 30 Cb 0.80 -0.51 0.26 0.00 0.11 0.00 0.00 30.24 30.90 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 -2.73 3.39 0.02 -1.58 0.00 -1.26 -3.67 120.51 114.68 1x6b n ALA 31 Ca -0.15 -0.43 0.07 0.00 0.00 0.00 0.00 53.44 52.93 1x6b n ALA 31 Cb 0.57 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.88 0.39 -4.66 0.00 5.68 -1.26 -4.94 116.55 110.87 1x6b n ASP 32 Ca 0.09 0.16 -0.27 0.00 -0.50 0.00 0.00 54.79 54.27 1x6b n ASP 32 Cb 0.36 1.13 0.11 0.00 -1.14 0.00 0.00 41.12 41.58 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 -3.25 1.65 -0.06 0.11 2.02 -1.24 -0.07 118.70 117.87 1x6b s GLU 33 Ca -0.05 -0.45 -0.05 0.00 0.02 0.00 0.00 54.97 54.44 1x6b s GLU 33 Cb 0.11 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.25 1x6b s GLU 33 CO 0.85 -1.62 0.15 0.54 0.02 0.00 0.00 175.26 175.20 1x6b s VAL 34 N -3.42 -0.00 0.10 2.63 0.11 -1.25 -4.55 120.40 114.02 1x6b s VAL 34 Ca 0.65 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.40 1x6b s VAL 34 Cb -0.08 -0.22 -0.06 0.00 -1.53 0.00 0.00 36.38 34.50 1x6b s VAL 34 CO 0.47 0.00 1.13 -0.89 -3.33 0.00 0.00 175.10 172.48 1x6b s THR 35 N 0.10 4.10 0.29 5.04 2.01 -1.25 -4.20 115.64 121.73 1x6b s THR 35 Ca -0.00 1.61 0.05 0.00 0.31 0.00 0.00 61.69 63.66 1x6b s THR 35 Cb -0.01 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 1x6b s THR 35 CO 0.00 0.18 0.00 -0.76 -0.69 0.00 0.00 174.62 173.36 1x6b s LEU 36 N 0.51 2.31 0.47 4.42 1.43 -1.14 -4.91 118.68 121.77 1x6b s LEU 36 Ca 0.54 -1.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1x6b s LEU 36 Cb -0.28 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1x6b s LEU 36 CO 0.31 -0.49 0.01 -1.10 0.23 0.00 0.00 176.35 175.31 1x6b s GLN 37 N -3.82 2.10 0.06 1.70 -0.21 -1.26 -1.60 119.66 116.62 1x6b s GLN 37 Ca 0.32 -2.28 -0.31 0.00 0.02 0.00 0.00 55.36 53.12 1x6b s GLN 37 Cb 0.06 -1.58 -0.06 0.00 1.00 0.00 0.00 33.01 32.43 1x6b s GLN 37 CO 0.13 -0.23 1.35 -1.14 -2.12 0.00 0.00 175.29 173.27 1x6b s GLN 38 N -3.81 4.33 -0.75 2.91 0.74 -1.26 -2.87 119.66 118.96 1x6b s GLN 38 Ca 0.18 1.96 -0.02 0.00 0.05 0.00 0.00 55.36 57.53 1x6b s GLN 38 Cb 0.05 -3.39 0.00 0.00 1.10 0.00 0.00 33.01 30.78 1x6b s GLN 38 CO 0.09 -0.44 0.64 0.00 -0.55 0.00 0.00 175.29 175.03 1x6b n ALA 39 N 4.46 -1.00 -2.84 1.58 0.00 0.65 -4.96 120.51 118.40 1x6b n ALA 39 Ca 0.11 0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 1x6b n ALA 39 Cb 0.44 -2.49 -0.11 0.00 0.00 0.00 0.00 19.45 17.29 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 -3.52 5.05 0.07 0.00 1.11 -1.08 -4.82 116.67 113.47 1x6b s ASP 40 Ca 0.16 -0.02 -0.17 0.00 0.18 0.00 0.00 52.55 52.71 1x6b s ASP 40 Cb -0.07 -1.70 -0.06 0.00 1.07 0.00 0.00 42.92 42.16 1x6b s ASP 40 CO 0.43 0.24 0.52 -0.69 1.18 0.00 0.00 175.17 176.84 1x6b s VAL 41 N -0.03 4.84 -0.03 -1.27 1.01 -1.26 0.11 120.40 123.78 1x6b s VAL 41 Ca 0.02 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1x6b s VAL 41 Cb -0.13 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1x6b s VAL 41 CO 0.02 0.50 -0.00 -0.69 0.00 0.00 0.00 175.10 174.93 1x6b s VAL 42 N -1.17 0.16 -0.47 2.92 1.01 -0.99 -3.03 120.40 118.83 1x6b s VAL 42 Ca 0.29 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 1x6b s VAL 42 Cb -0.18 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 35.98 1x6b s VAL 42 CO 0.18 0.13 0.87 -0.22 0.00 0.00 0.00 175.10 176.06 1x6b s LEU 43 N 0.91 4.11 0.54 3.92 2.96 0.51 -2.98 118.68 128.64 1x6b s LEU 43 Ca -0.09 -0.03 -0.22 0.00 -0.22 0.00 0.00 54.13 53.57 1x6b s LEU 43 Cb -0.12 -3.06 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 1x6b s LEU 43 CO -0.02 -1.02 1.35 -0.69 -1.32 0.00 0.00 176.35 174.66 1x6b s VAL 44 N 3.60 2.12 0.00 1.68 1.01 -1.08 0.20 120.40 127.93 1x6b s VAL 44 Ca 0.34 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1x6b s VAL 44 Cb -0.11 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1x6b s VAL 44 CO 0.24 -0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.52 1x6b n LEU 45 N -0.96 1.36 -3.66 3.92 4.77 0.50 -4.56 117.00 118.37 1x6b n LEU 45 Ca 0.10 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.88 1x6b n LEU 45 Cb 0.45 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.36 1x6b n LEU 45 CO 0.53 0.18 -0.33 -1.10 -1.33 0.00 0.00 177.39 175.34 1x6b s GLN 46 N -1.69 -0.05 -0.32 3.23 -0.21 -0.92 -5.00 119.66 114.70 1x6b s GLN 46 Ca 0.00 0.35 -0.15 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 33.37 1x6b s GLN 46 CO 0.00 -0.36 0.37 -0.65 -2.12 0.00 0.00 175.29 172.52 1x6b s GLN 47 N 2.18 3.72 -0.21 2.91 -0.21 -1.26 0.44 119.66 127.22 1x6b s GLN 47 Ca 0.05 -0.27 0.01 0.00 0.02 0.00 0.00 55.36 55.17 1x6b s GLN 47 Cb -0.12 -3.76 0.05 0.00 1.00 0.00 0.00 33.01 30.18 1x6b s GLN 47 CO -0.04 -0.45 -0.10 -2.00 -2.12 0.00 0.00 175.29 170.59 1x6b s GLU 48 N 2.05 1.98 -0.77 2.91 2.12 -0.11 -5.00 118.70 121.88 1x6b s GLU 48 Ca 0.13 -0.91 -0.31 0.00 0.36 0.00 0.00 54.97 54.24 1x6b s GLU 48 Cb -0.16 -2.48 -0.19 0.00 0.26 0.00 0.00 34.13 31.55 1x6b s GLU 48 CO 0.11 -0.47 2.27 -3.47 -0.54 0.00 0.00 175.26 173.17 1x6b n ASP 49 N 4.66 0.37 0.00 -1.70 -0.08 -1.26 0.16 116.55 118.70 1x6b n ASP 49 Ca -0.14 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 1x6b n ASP 49 Cb 0.46 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 43.10 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 6.05 3.68 3.02 0.27 0.00 -1.26 -5.07 105.19 111.89 1x6b n GLY 50 Ca 0.56 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 0.11 -0.14 1.61 0.52 0.42 -4.70 118.94 116.76 1x6b s TRP 51 Ca 0.00 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 55.90 1x6b s TRP 51 Cb 0.00 -0.10 0.01 0.00 -1.15 0.00 0.00 33.47 32.23 1x6b s TRP 51 CO 0.00 -0.20 -0.22 -0.51 0.02 0.00 0.00 176.95 176.04 1x6b s LEU 52 N -1.16 2.10 0.00 2.99 2.01 0.07 -0.93 118.68 123.76 1x6b s LEU 52 Ca -0.13 -0.60 -0.10 0.00 0.01 0.00 0.00 54.13 53.31 1x6b s LEU 52 Cb -0.07 -1.44 -0.05 0.00 0.01 0.00 0.00 46.19 44.64 1x6b s LEU 52 CO 0.00 0.08 0.33 -0.47 1.01 0.00 0.00 176.35 177.30 1x6b s TYR 53 N 0.82 3.63 0.14 0.29 5.04 0.17 0.43 117.35 127.87 1x6b s TYR 53 Ca -0.07 0.76 -0.11 0.00 -2.44 0.00 0.00 57.07 55.21 1x6b s TYR 53 Cb -0.15 -2.12 0.04 0.00 0.35 0.00 0.00 41.96 40.07 1x6b s TYR 53 CO -0.02 0.62 0.53 0.41 -1.34 0.00 0.00 175.55 175.75 1x6b n GLY 54 N 1.42 1.07 3.02 8.97 0.00 -0.99 0.19 105.19 118.87 1x6b n GLY 54 Ca -0.13 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 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 2.01 -0.11 1.61 2.12 0.53 -1.98 118.70 120.84 1x6b s GLU 55 Ca 0.11 -0.48 -0.29 0.00 0.36 0.00 0.00 54.97 54.67 1x6b s GLU 55 Cb -0.02 -1.77 -0.05 0.00 0.26 0.00 0.00 34.13 32.55 1x6b s GLU 55 CO 0.04 -0.10 1.83 0.50 -0.54 0.00 0.00 175.26 176.99 1x6b s ARG 56 N 1.11 3.85 0.09 4.30 3.52 0.23 -0.36 118.95 131.69 1x6b s ARG 56 Ca -0.05 2.11 0.13 0.00 -0.13 0.00 0.00 55.73 57.79 1x6b s ARG 56 Cb -0.14 -4.12 0.58 0.00 -1.56 0.00 0.00 34.95 29.71 1x6b s ARG 56 CO -0.03 -1.25 1.40 1.28 -0.81 0.00 0.00 175.30 175.89 1x6b n LEU 57 N 8.51 0.20 0.22 -0.88 7.99 -1.17 0.21 117.00 132.08 1x6b n LEU 57 Ca 0.21 0.57 -0.09 0.00 -0.01 0.00 0.00 56.01 56.69 1x6b n LEU 57 Cb 0.43 -0.56 -0.04 0.00 -0.11 0.00 0.00 43.42 43.15 1x6b n LEU 57 CO 0.65 -0.47 0.45 -0.09 -1.51 0.00 0.00 177.39 176.42 1x6b h ARG 58 N 0.00 -0.54 0.00 3.23 2.43 -1.88 -3.40 114.38 114.22 1x6b h ARG 58 Ca 0.00 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1x6b h ARG 58 Cb 0.17 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1x6b h ARG 58 CO 0.00 -0.36 -1.37 -0.40 -1.51 0.00 0.00 179.97 176.33 1x6b n ASP 59 N -3.69 3.50 0.00 -3.80 5.75 -1.16 -5.01 116.55 112.13 1x6b n ASP 59 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1x6b n ASP 59 Cb 0.22 0.93 0.00 0.00 -1.03 0.00 0.00 41.12 41.24 1x6b n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x6b n GLY 60 N 2.41 1.29 3.68 6.12 0.00 0.56 -5.04 105.19 114.22 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 -0.42 4.18 -0.31 1.61 2.12 -1.19 -4.46 118.70 120.24 1x6b s GLU 61 Ca 0.00 2.37 -0.08 0.00 0.36 0.00 0.00 54.97 57.62 1x6b s GLU 61 Cb 0.00 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.73 1x6b s GLU 61 CO 0.00 -0.77 0.12 0.99 -0.54 0.00 0.00 175.26 175.06 1x6b s THR 62 N 2.89 4.27 0.18 -1.70 2.01 -1.26 0.77 115.64 122.80 1x6b s THR 62 Ca 0.76 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1x6b s THR 62 Cb -0.40 -3.21 -0.00 0.00 0.01 0.00 0.00 72.50 68.89 1x6b s THR 62 CO 0.33 0.04 0.23 0.61 -0.69 0.00 0.00 174.62 175.14 1x6b n GLY 63 N 4.92 2.83 3.56 4.40 0.00 -0.84 -4.96 105.19 115.10 1x6b n GLY 63 Ca -0.14 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.60 3.22 -0.08 1.61 0.52 0.90 -2.34 118.94 119.17 1x6b s TRP 64 Ca 0.17 0.11 0.05 0.00 0.02 0.00 0.00 56.10 56.45 1x6b s TRP 64 Cb -0.00 -2.64 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 1x6b s TRP 64 CO 0.12 -0.37 -0.23 -0.59 0.02 0.00 0.00 176.95 175.90 1x6b s PHE 65 N 2.04 2.52 0.52 -1.98 -0.12 0.17 -3.82 117.98 117.31 1x6b s PHE 65 Ca 0.13 -0.80 -0.18 0.00 -0.05 0.00 0.00 56.93 56.03 1x6b s PHE 65 Cb -0.16 -1.66 -0.07 0.00 -0.63 0.00 0.00 43.02 40.50 1x6b s PHE 65 CO 0.11 -0.26 1.04 -1.25 -0.05 0.00 0.00 175.22 174.81 1x6b s PRO 66 N 0.01 3.65 0.17 1.99 0.04 -1.26 -0.75 135.00 138.85 1x6b s PRO 66 Ca -0.08 1.28 -0.03 0.00 0.04 0.00 0.00 61.00 62.21 1x6b s PRO 66 Cb -0.15 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.35 1x6b s PRO 66 CO 0.05 -0.55 1.43 1.05 0.04 0.00 0.00 177.00 179.02 1x6b h GLU 67 N 1.14 0.48 -0.17 4.56 4.11 -1.87 -2.84 114.58 119.99 1x6b h GLU 67 Ca -0.48 -0.38 0.05 0.00 0.07 0.00 0.00 59.36 58.62 1x6b h GLU 67 Cb 1.22 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1x6b h GLU 67 CO 0.59 1.01 0.41 -0.44 0.07 0.00 0.00 179.01 180.64 1x6b h ASP 68 N 0.33 0.00 -0.44 3.06 3.32 -1.94 1.24 116.42 121.99 1x6b h ASP 68 Ca -0.03 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 1x6b h ASP 68 Cb 1.29 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.75 1x6b h ASP 68 CO 0.13 0.00 0.08 0.49 -1.72 0.00 0.00 179.24 178.21 1x6b n PHE 69 N -3.19 1.46 -3.64 4.55 3.01 -1.07 -4.95 117.46 113.63 1x6b n PHE 69 Ca 0.02 -1.27 -0.10 0.00 1.01 0.00 0.00 57.45 57.10 1x6b n PHE 69 Cb 0.50 -0.50 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 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 -3.05 -1.21 -0.16 4.37 0.00 0.43 -3.14 121.76 119.00 1x6b s ALA 70 Ca 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 1x6b s ALA 70 Cb 0.40 0.85 0.05 0.00 0.00 0.00 0.00 23.12 24.41 1x6b s ALA 70 CO 0.07 -0.81 -0.01 1.03 0.00 0.00 0.00 175.76 176.03 1x6b s ARG 71 N -3.83 0.97 -0.56 0.00 0.52 -0.42 -4.82 118.95 110.80 1x6b s ARG 71 Ca 0.06 -0.35 -0.26 0.00 -0.52 0.00 0.00 55.73 54.66 1x6b s ARG 71 Cb -0.02 -1.82 -0.09 0.00 0.52 0.00 0.00 34.95 33.55 1x6b s ARG 71 CO -0.06 -0.48 2.44 1.19 0.02 0.00 0.00 175.30 178.42 1x6b n PHE 72 N 5.00 1.32 0.03 -0.53 3.72 -1.26 -2.12 117.46 123.61 1x6b n PHE 72 Ca -0.10 0.13 -0.10 0.00 -0.05 0.00 0.00 57.45 57.33 1x6b n PHE 72 Cb 0.48 -2.60 -0.04 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 7.73 0.52 -3.01 4.37 2.04 -1.79 -3.44 117.51 123.93 1x6b h ILE 73 Ca -0.20 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 1x6b h ILE 73 Cb 1.25 0.52 -0.22 0.00 -0.74 0.00 0.00 36.82 37.63 1x6b h ILE 73 CO 1.17 0.00 -0.30 -0.55 0.00 0.00 0.00 178.15 178.48 1x6b s SER 74 N -4.98 -0.24 0.00 1.72 0.15 -1.26 -5.11 113.70 103.99 1x6b s SER 74 Ca -0.15 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1x6b s SER 74 Cb 0.10 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1x6b s SER 74 CO 0.67 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.39 1x6b n GLY 75 N 1.83 5.46 3.81 9.45 0.00 -1.26 -4.27 105.19 120.21 1x6b n GLY 75 Ca -0.19 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 1.81 3.16 0.66 1.61 0.04 -1.26 -5.03 135.00 135.99 1x6b s PRO 76 Ca 0.00 1.06 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 1x6b s PRO 76 Cb 0.00 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1x6b s PRO 76 CO 0.00 -0.92 1.06 -1.12 0.04 0.00 0.00 177.00 176.06 1x6b s SER 77 N -3.32 5.50 0.16 6.66 0.01 -1.26 -4.99 113.70 116.46 1x6b s SER 77 Ca 0.60 1.71 0.00 0.00 1.31 0.00 0.00 55.95 59.57 1x6b s SER 77 Cb -0.15 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1x6b s SER 77 CO 0.46 -1.36 0.00 -0.24 0.41 0.00 0.00 173.24 172.51 1x6b n SER 78 N -2.70 0.44 0.00 2.44 2.88 -1.26 -5.34 113.62 110.08 1x6b n SER 78 Ca 0.08 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1x6b n SER 78 Cb 0.53 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1x6b n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42