#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 5.31 -0.38 1.61 2.88 -1.26 -4.90 113.62 116.87 1x6b n SER 2 Ca 0.00 -3.11 -0.08 0.00 -1.33 0.00 0.00 58.87 54.35 1x6b n SER 2 Cb 0.00 -1.28 -0.05 0.00 -0.75 0.00 0.00 64.21 62.13 1x6b n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x6b h SER 3 N 6.31 -1.86 0.00 -3.46 0.02 -1.97 -3.47 113.55 109.12 1x6b h SER 3 Ca 0.18 0.31 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 1x6b h SER 3 Cb 0.82 0.86 0.00 0.00 0.14 0.00 0.00 62.40 64.23 1x6b h SER 3 CO 1.02 -0.27 0.00 0.61 -1.14 0.00 0.00 176.83 177.05 1x6b n GLY 4 N -1.34 0.48 3.24 -3.77 0.00 -1.26 -5.03 105.19 97.50 1x6b n GLY 4 Ca 0.04 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 1x6b n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6b s SER 5 N -4.00 3.81 0.80 1.61 0.01 -1.26 -5.11 113.70 109.56 1x6b s SER 5 Ca 0.00 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 1x6b s SER 5 Cb 0.00 -1.63 0.07 0.00 0.21 0.00 0.00 66.02 64.68 1x6b s SER 5 CO 0.00 -0.00 1.09 -0.94 0.41 0.00 0.00 173.24 173.80 1x6b s SER 6 N 1.33 4.33 0.00 2.44 1.04 -1.26 -5.03 113.70 116.55 1x6b s SER 6 Ca 0.04 1.59 0.00 0.00 0.48 0.00 0.00 55.95 58.07 1x6b s SER 6 Cb -0.14 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1x6b s SER 6 CO -0.06 -2.11 0.00 0.61 0.98 0.00 0.00 173.24 172.65 1x6b n GLY 7 N -1.47 -0.28 3.78 7.32 0.00 -1.26 -5.03 105.19 108.24 1x6b n GLY 7 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.80 2.18 0.00 1.61 -0.11 -1.26 -5.07 118.94 115.49 1x6b s TRP 8 Ca 0.00 -0.74 -0.18 0.00 1.22 0.00 0.00 56.10 56.40 1x6b s TRP 8 Cb 0.00 -1.86 -0.10 0.00 -1.50 0.00 0.00 33.47 30.01 1x6b s TRP 8 CO 0.00 0.04 0.90 0.37 -4.62 0.00 0.00 176.95 173.64 1x6b h GLN 9 N 1.25 -0.62 0.00 5.86 -0.00 -1.99 -3.47 115.11 116.14 1x6b h GLN 9 Ca -0.42 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1x6b h GLN 9 Cb 1.28 0.14 0.00 0.00 0.00 0.00 0.00 27.48 28.90 1x6b h GLN 9 CO 0.68 -0.41 0.00 0.41 0.00 0.00 0.00 178.83 179.51 1x6b n GLY 10 N -0.29 0.85 0.66 2.39 0.00 -1.26 -4.98 105.19 102.56 1x6b n GLY 10 Ca -0.08 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.41 -4.79 0.99 4.77 -1.26 -4.61 117.00 111.69 1x6b n LEU 11 Ca 0.00 0.95 -0.34 0.00 -0.03 0.00 0.00 56.01 56.59 1x6b n LEU 11 Cb 0.00 -2.00 -0.00 0.00 -2.33 0.00 0.00 43.42 39.09 1x6b n LEU 11 CO 0.00 -1.30 0.74 -0.55 -1.33 0.00 0.00 177.39 174.95 1x6b s SER 12 N -5.93 5.83 0.29 -1.43 0.15 -1.26 -4.48 113.70 106.87 1x6b s SER 12 Ca 0.00 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.65 1x6b s SER 12 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1x6b s SER 12 CO 0.00 -1.14 0.00 -1.20 1.20 0.00 0.00 173.24 172.10 1x6b n SER 13 N -1.51 -8.50 -3.09 5.45 7.64 -1.26 -4.83 113.62 107.53 1x6b n SER 13 Ca 0.10 1.21 -0.19 0.00 1.01 0.00 0.00 58.87 61.00 1x6b n SER 13 Cb 0.52 -4.47 0.02 0.00 -1.01 0.00 0.00 64.21 59.27 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 0.86 -2.22 0.00 1.43 5.02 -1.26 -5.00 118.16 116.98 1x6b n LYS 14 Ca 0.00 1.88 0.00 0.00 -2.02 0.00 0.00 58.31 58.17 1x6b n LYS 14 Cb 0.00 -4.30 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 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 -0.21 0.16 2.45 0.72 0.00 -1.26 -4.84 105.19 102.21 1x6b n GLY 15 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.84 2.19 -4.18 1.61 8.00 -1.26 -4.92 116.55 116.15 1x6b n ASP 16 Ca 0.00 -3.23 -0.38 0.00 0.71 0.00 0.00 54.79 51.89 1x6b n ASP 16 Cb 0.00 -0.61 0.02 0.00 -0.02 0.00 0.00 41.12 40.51 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 0.28 -4.27 -4.78 0.64 7.99 -1.26 -4.92 117.00 110.68 1x6b n LEU 17 Ca 0.27 0.53 -0.29 0.00 -0.01 0.00 0.00 56.01 56.51 1x6b n LEU 17 Cb 0.54 -0.83 0.15 0.00 -0.11 0.00 0.00 43.42 43.17 1x6b n LEU 17 CO 0.26 -5.11 0.72 -2.16 -1.51 0.00 0.00 177.39 169.59 1x6b s PRO 18 N -1.28 0.91 -0.00 3.23 0.04 -1.26 -4.84 135.00 131.79 1x6b s PRO 18 Ca 0.52 0.20 0.02 0.00 0.04 0.00 0.00 61.00 61.78 1x6b s PRO 18 Cb -0.41 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 1x6b s PRO 18 CO 0.71 -2.34 -0.05 -0.65 0.04 0.00 0.00 177.00 174.71 1x6b s GLN 19 N -5.34 0.42 -0.04 4.56 -0.21 -1.26 -2.20 119.66 115.59 1x6b s GLN 19 Ca 0.65 -0.21 0.04 0.00 0.02 0.00 0.00 55.36 55.86 1x6b s GLN 19 Cb -0.13 -0.40 0.00 0.00 1.00 0.00 0.00 33.01 33.47 1x6b s GLN 19 CO 0.53 0.11 -0.14 0.14 -2.12 0.00 0.00 175.29 173.81 1x6b s VAL 20 N -0.18 1.21 -0.33 1.09 -7.23 -1.18 -1.86 120.40 111.92 1x6b s VAL 20 Ca 0.01 -0.59 -0.17 0.00 -1.81 0.00 0.00 61.98 59.43 1x6b s VAL 20 Cb -0.02 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 1x6b s VAL 20 CO -0.00 0.36 0.47 -0.70 -0.31 0.00 0.00 175.10 174.91 1x6b s GLU 21 N 0.14 3.71 0.21 4.82 2.12 -1.10 -2.59 118.70 126.00 1x6b s GLU 21 Ca -0.04 -0.13 -0.31 0.00 0.36 0.00 0.00 54.97 54.84 1x6b s GLU 21 Cb -0.11 -3.77 -0.11 0.00 0.26 0.00 0.00 34.13 30.40 1x6b s GLU 21 CO 0.02 -0.54 1.61 0.42 -0.54 0.00 0.00 175.26 176.23 1x6b s ILE 22 N 2.27 2.32 -0.16 -3.70 -1.09 0.37 -1.95 121.20 119.26 1x6b s ILE 22 Ca 0.17 0.24 -0.19 0.00 -2.23 0.00 0.00 60.65 58.65 1x6b s ILE 22 Cb -0.16 -3.15 -0.23 0.00 -1.58 0.00 0.00 42.46 37.34 1x6b s ILE 22 CO 0.12 0.02 0.38 0.71 -1.23 0.00 0.00 174.94 174.94 1x6b h THR 23 N 3.78 0.98 -3.74 2.92 1.35 -1.82 1.88 112.91 118.26 1x6b h THR 23 Ca -0.44 -2.28 -0.65 0.00 -0.55 0.00 0.00 66.41 62.50 1x6b h THR 23 Cb 1.21 2.50 -0.21 0.00 -1.73 0.00 0.00 68.15 69.92 1x6b h THR 23 CO 0.89 0.53 -0.85 -1.59 -0.25 0.00 0.00 175.52 174.26 1x6b s LYS 24 N -2.41 1.36 0.10 4.72 -2.85 -1.26 -3.92 119.74 115.48 1x6b s LYS 24 Ca -0.25 -1.35 -0.31 0.00 -1.00 0.00 0.00 55.97 53.07 1x6b s LYS 24 Cb 0.05 -1.75 -0.09 0.00 -2.06 0.00 0.00 37.83 33.98 1x6b s LYS 24 CO 0.67 0.40 1.74 0.00 0.10 0.00 0.00 175.35 178.26 1x6b s ALA 25 N -1.26 3.73 -0.17 0.59 0.00 -1.26 -4.35 121.76 119.03 1x6b s ALA 25 Ca 0.14 1.33 -0.08 0.00 0.00 0.00 0.00 51.96 53.35 1x6b s ALA 25 Cb -0.09 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1x6b s ALA 25 CO 0.06 -1.15 0.08 0.12 0.00 0.00 0.00 175.76 174.87 1x6b s PHE 26 N 2.65 3.33 -0.40 0.00 5.36 -0.67 -4.92 117.98 123.32 1x6b s PHE 26 Ca 0.77 0.20 -0.13 0.00 -0.96 0.00 0.00 56.93 56.82 1x6b s PHE 26 Cb -0.43 -2.06 0.03 0.00 -0.34 0.00 0.00 43.02 40.23 1x6b s PHE 26 CO 0.34 0.29 0.26 -0.06 -1.46 0.00 0.00 175.22 174.58 1x6b s PHE 27 N 0.09 3.25 -0.20 10.12 0.08 -1.26 -1.10 117.98 128.97 1x6b s PHE 27 Ca 0.06 -0.88 -0.29 0.00 0.12 0.00 0.00 56.93 55.94 1x6b s PHE 27 Cb -0.12 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.76 1x6b s PHE 27 CO 0.00 -0.66 1.09 0.00 -0.10 0.00 0.00 175.22 175.56 1x6b s ALA 28 N 1.59 3.65 -0.13 5.36 0.00 -1.26 -4.88 121.76 126.08 1x6b s ALA 28 Ca 0.03 0.28 0.15 0.00 0.00 0.00 0.00 51.96 52.42 1x6b s ALA 28 Cb -0.20 -3.55 -0.24 0.00 0.00 0.00 0.00 23.12 19.13 1x6b s ALA 28 CO 0.07 -1.02 0.33 0.36 0.00 0.00 0.00 175.76 175.51 1x6b n LYS 29 N 6.20 0.66 -3.43 0.00 0.00 -1.26 -4.85 118.16 115.49 1x6b n LYS 29 Ca 0.12 0.13 -0.25 0.00 -0.00 0.00 0.00 58.31 58.31 1x6b n LYS 29 Cb 0.46 -1.64 -0.02 0.00 -0.00 0.00 0.00 35.03 33.83 1x6b n LYS 29 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1x6b s GLN 30 N -2.54 3.52 0.00 -1.58 -0.21 -1.26 -4.97 119.66 112.62 1x6b s GLN 30 Ca -0.08 -0.27 0.22 0.00 0.02 0.00 0.00 55.36 55.24 1x6b s GLN 30 Cb 0.07 -2.69 1.07 0.00 1.00 0.00 0.00 33.01 32.45 1x6b s GLN 30 CO 0.83 0.21 1.69 0.00 -2.12 0.00 0.00 175.29 175.90 1x6b n ALA 31 N -1.43 2.10 -0.03 6.09 0.00 -1.26 -2.15 120.51 123.83 1x6b n ALA 31 Ca -0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 1x6b n ALA 31 Cb 0.55 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.32 0.53 -4.60 0.00 5.68 -1.26 -4.94 116.55 110.64 1x6b n ASP 32 Ca 0.10 0.24 -0.29 0.00 -0.50 0.00 0.00 54.79 54.34 1x6b n ASP 32 Cb 0.18 0.47 0.14 0.00 -1.14 0.00 0.00 41.12 40.78 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 -2.70 1.00 -0.02 0.11 2.02 -0.92 0.77 118.70 118.95 1x6b s GLU 33 Ca -0.06 0.09 -0.00 0.00 0.02 0.00 0.00 54.97 55.02 1x6b s GLU 33 Cb 0.08 -1.84 0.03 0.00 0.10 0.00 0.00 34.13 32.50 1x6b s GLU 33 CO 0.83 -2.26 0.04 0.54 0.02 0.00 0.00 175.26 174.43 1x6b s VAL 34 N -3.42 -0.07 -0.02 2.63 0.11 -1.24 -4.44 120.40 113.94 1x6b s VAL 34 Ca 0.66 0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 59.65 1x6b s VAL 34 Cb -0.12 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 1x6b s VAL 34 CO 0.53 0.10 1.14 -0.89 -3.33 0.00 0.00 175.10 172.65 1x6b s THR 35 N 1.22 4.36 0.50 5.04 2.01 -1.26 -4.44 115.64 123.07 1x6b s THR 35 Ca -0.07 1.68 0.02 0.00 0.31 0.00 0.00 61.69 63.63 1x6b s THR 35 Cb -0.13 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 1x6b s THR 35 CO -0.03 0.06 0.01 -0.76 -0.69 0.00 0.00 174.62 173.20 1x6b s LEU 36 N 1.67 2.32 0.14 4.42 1.43 -0.25 -4.93 118.68 123.47 1x6b s LEU 36 Ca 0.55 -1.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.04 1x6b s LEU 36 Cb -0.25 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1x6b s LEU 36 CO 0.24 -0.83 -0.06 -1.10 0.23 0.00 0.00 176.35 174.83 1x6b s GLN 37 N -3.86 0.99 0.03 1.70 -1.52 -1.26 -1.67 119.66 114.08 1x6b s GLN 37 Ca 0.08 -1.43 -0.33 0.00 -1.95 0.00 0.00 55.36 51.73 1x6b s GLN 37 Cb 0.02 -0.40 -0.12 0.00 -0.22 0.00 0.00 33.01 32.30 1x6b s GLN 37 CO 0.04 -0.01 1.82 0.94 -0.25 0.00 0.00 175.29 177.84 1x6b n GLN 38 N -0.16 2.43 -2.61 2.91 7.27 -1.26 -1.68 117.38 124.28 1x6b n GLN 38 Ca -0.10 0.89 -0.07 0.00 0.07 0.00 0.00 57.00 57.79 1x6b n GLN 38 Cb 0.61 -2.74 0.03 0.00 2.41 0.00 0.00 30.24 30.55 1x6b n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x6b n ALA 39 N 5.84 -0.68 -2.77 1.69 0.00 0.64 -4.97 120.51 120.27 1x6b n ALA 39 Ca 0.20 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 1x6b n ALA 39 Cb 0.33 -1.47 -0.14 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 -3.41 3.88 -0.04 0.00 1.11 -0.67 -4.85 116.67 112.69 1x6b s ASP 40 Ca 0.05 -0.30 -0.13 0.00 0.18 0.00 0.00 52.55 52.35 1x6b s ASP 40 Cb -0.02 -1.17 -0.05 0.00 1.07 0.00 0.00 42.92 42.75 1x6b s ASP 40 CO 0.27 0.26 0.34 -0.69 1.18 0.00 0.00 175.17 176.53 1x6b s VAL 41 N -0.20 5.16 -0.02 -1.27 1.01 -1.26 0.14 120.40 123.95 1x6b s VAL 41 Ca -0.00 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.68 1x6b s VAL 41 Cb -0.13 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1x6b s VAL 41 CO 0.03 0.56 -0.04 -0.69 0.00 0.00 0.00 175.10 174.97 1x6b s VAL 42 N -0.88 0.40 -0.44 2.92 1.01 -1.07 -2.92 120.40 119.41 1x6b s VAL 42 Ca 0.21 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.83 1x6b s VAL 42 Cb -0.15 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.85 1x6b s VAL 42 CO 0.10 0.16 0.88 -0.22 0.00 0.00 0.00 175.10 176.02 1x6b s LEU 43 N 0.48 4.07 0.49 3.92 2.96 0.03 -3.13 118.68 127.51 1x6b s LEU 43 Ca -0.05 0.11 -0.23 0.00 -0.22 0.00 0.00 54.13 53.74 1x6b s LEU 43 Cb -0.09 -3.13 -0.07 0.00 0.50 0.00 0.00 46.19 43.40 1x6b s LEU 43 CO -0.00 -0.98 1.23 -0.69 -1.32 0.00 0.00 176.35 174.58 1x6b s VAL 44 N 3.58 2.77 0.00 1.68 1.01 -0.93 0.19 120.40 128.70 1x6b s VAL 44 Ca 0.35 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1x6b s VAL 44 Cb -0.11 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1x6b s VAL 44 CO 0.24 -0.01 0.00 0.18 0.00 0.00 0.00 175.10 175.51 1x6b n LEU 45 N -0.66 2.09 -3.70 3.92 4.77 0.23 -4.54 117.00 119.12 1x6b n LEU 45 Ca 0.08 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.87 1x6b n LEU 45 Cb 0.47 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.38 1x6b n LEU 45 CO 0.49 0.34 -0.35 -1.10 -1.33 0.00 0.00 177.39 175.45 1x6b s GLN 46 N -1.76 -0.00 -0.43 3.23 -0.21 -1.05 -5.01 119.66 114.43 1x6b s GLN 46 Ca 0.00 0.32 -0.16 0.00 0.02 0.00 0.00 55.36 55.54 1x6b s GLN 46 Cb 0.00 -0.51 0.04 0.00 1.00 0.00 0.00 33.01 33.54 1x6b s GLN 46 CO 0.00 -0.30 0.37 -0.65 -2.12 0.00 0.00 175.29 172.59 1x6b s GLN 47 N 1.95 3.01 -0.20 2.91 -0.21 -1.26 0.36 119.66 126.22 1x6b s GLN 47 Ca 0.02 -1.05 0.01 0.00 0.02 0.00 0.00 55.36 54.36 1x6b s GLN 47 Cb -0.12 -4.03 0.02 0.00 1.00 0.00 0.00 33.01 29.89 1x6b s GLN 47 CO -0.03 -0.87 -0.16 -2.00 -2.12 0.00 0.00 175.29 170.10 1x6b s GLU 48 N 1.82 2.89 -0.79 2.91 2.12 -0.49 -5.02 118.70 122.14 1x6b s GLU 48 Ca 0.07 -0.90 -0.36 0.00 0.36 0.00 0.00 54.97 54.13 1x6b s GLU 48 Cb -0.20 -2.69 -0.21 0.00 0.26 0.00 0.00 34.13 31.29 1x6b s GLU 48 CO 0.10 -0.28 2.46 -3.47 -0.54 0.00 0.00 175.26 173.53 1x6b n ASP 49 N 4.61 0.49 0.00 -1.70 2.03 -1.26 0.68 116.55 121.40 1x6b n ASP 49 Ca -0.19 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1x6b n ASP 49 Cb 0.49 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 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 6.92 3.58 3.06 0.27 0.00 -1.26 -5.06 105.19 112.71 1x6b n GLY 50 Ca 0.61 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 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 0.91 -0.27 1.61 0.52 0.21 -4.55 118.94 117.38 1x6b s TRP 51 Ca 0.00 -0.25 -0.00 0.00 0.02 0.00 0.00 56.10 55.87 1x6b s TRP 51 Cb 0.00 -0.57 0.05 0.00 -1.15 0.00 0.00 33.47 31.80 1x6b s TRP 51 CO 0.00 -0.01 -0.05 -0.51 0.02 0.00 0.00 176.95 176.40 1x6b s LEU 52 N -0.64 3.55 0.32 2.99 2.01 0.49 -1.40 118.68 125.99 1x6b s LEU 52 Ca 0.01 -1.21 -0.27 0.00 0.01 0.00 0.00 54.13 52.68 1x6b s LEU 52 Cb -0.06 -1.64 -0.10 0.00 0.01 0.00 0.00 46.19 44.41 1x6b s LEU 52 CO 0.00 -0.20 0.98 -0.47 1.01 0.00 0.00 176.35 177.67 1x6b s TYR 53 N 1.22 3.66 0.12 0.29 5.04 0.16 -1.32 117.35 126.51 1x6b s TYR 53 Ca -0.05 1.78 -0.24 0.00 -2.44 0.00 0.00 57.07 56.11 1x6b s TYR 53 Cb -0.19 -3.01 0.08 0.00 0.35 0.00 0.00 41.96 39.20 1x6b s TYR 53 CO -0.03 0.03 1.12 0.20 -1.34 0.00 0.00 175.55 175.53 1x6b s GLY 54 N -1.45 0.04 -0.20 8.97 0.00 -0.86 0.78 107.32 114.61 1x6b s GLY 54 Ca 0.49 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 45.00 1x6b s GLY 54 CO 0.28 3.58 -0.17 1.85 0.00 0.00 0.00 173.10 178.64 1x6b s GLU 55 N -2.10 2.69 -0.35 2.90 -6.30 0.51 -1.50 118.70 114.55 1x6b s GLU 55 Ca 0.25 -0.93 -0.28 0.00 -2.50 0.00 0.00 54.97 51.51 1x6b s GLU 55 Cb -0.02 -2.59 -0.02 0.00 0.00 0.00 0.00 34.13 31.49 1x6b s GLU 55 CO 0.03 -0.31 1.86 0.50 0.02 0.00 0.00 175.26 177.36 1x6b s ARG 56 N 1.27 3.21 0.56 4.30 3.52 -0.21 -0.79 118.95 130.82 1x6b s ARG 56 Ca 0.01 1.40 0.27 0.00 -0.13 0.00 0.00 55.73 57.28 1x6b s ARG 56 Cb -0.15 -4.24 1.51 0.00 -1.56 0.00 0.00 34.95 30.51 1x6b s ARG 56 CO -0.11 -2.00 2.03 -0.07 -0.81 0.00 0.00 175.30 174.34 1x6b h LEU 57 N 14.23 0.00 -0.35 -0.88 -0.00 -1.86 2.07 115.31 128.52 1x6b h LEU 57 Ca -0.33 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.58 1x6b h LEU 57 Cb 1.18 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.79 1x6b h LEU 57 CO 1.05 0.00 -0.23 -0.09 -0.00 0.00 0.00 178.44 179.17 1x6b h ARG 58 N 0.00 -0.03 0.00 1.13 2.43 -1.88 -3.30 114.38 112.73 1x6b h ARG 58 Ca 0.17 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1x6b h ARG 58 Cb 0.79 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 1x6b h ARG 58 CO -0.00 -0.02 -1.49 -3.47 -1.51 0.00 0.00 179.97 173.48 1x6b n ASP 59 N -3.86 3.06 0.00 -3.80 2.03 -1.03 -4.52 116.55 108.43 1x6b n ASP 59 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1x6b n ASP 59 Cb 0.11 0.94 0.00 0.00 -0.72 0.00 0.00 41.12 41.45 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 2.34 1.91 3.65 0.27 0.00 0.70 -2.43 105.19 111.63 1x6b n GLY 60 Ca -0.09 0.00 -0.39 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 -0.87 4.15 -0.32 1.61 2.12 -1.13 -4.76 118.70 119.50 1x6b s GLU 61 Ca 0.00 0.33 -0.17 0.00 0.36 0.00 0.00 54.97 55.49 1x6b s GLU 61 Cb 0.00 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 1x6b s GLU 61 CO 0.00 -0.17 0.48 0.99 -0.54 0.00 0.00 175.26 176.02 1x6b s THR 62 N 1.72 5.06 0.18 -1.70 2.01 -1.26 -1.04 115.64 120.60 1x6b s THR 62 Ca 0.22 0.44 -0.00 0.00 0.31 0.00 0.00 61.69 62.66 1x6b s THR 62 Cb -0.15 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1x6b s THR 62 CO 0.09 -0.10 0.23 0.61 -0.69 0.00 0.00 174.62 174.76 1x6b n GLY 63 N 4.72 2.74 3.55 4.40 0.00 -0.56 -4.91 105.19 115.14 1x6b n GLY 63 Ca -0.06 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.76 3.22 -0.08 1.61 0.52 0.23 -2.03 118.94 118.65 1x6b s TRP 64 Ca 0.16 -0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.30 1x6b s TRP 64 Cb -0.00 -2.59 -0.01 0.00 -1.15 0.00 0.00 33.47 29.72 1x6b s TRP 64 CO 0.11 -0.37 -0.22 -0.59 0.02 0.00 0.00 176.95 175.90 1x6b s PHE 65 N 1.93 2.56 0.42 -1.98 -0.12 -0.44 -3.73 117.98 116.63 1x6b s PHE 65 Ca 0.10 -0.81 -0.23 0.00 -0.05 0.00 0.00 56.93 55.95 1x6b s PHE 65 Cb -0.17 -1.68 -0.09 0.00 -0.63 0.00 0.00 43.02 40.46 1x6b s PHE 65 CO 0.11 -0.27 1.05 -1.25 -0.05 0.00 0.00 175.22 174.81 1x6b s PRO 66 N 0.08 4.06 0.26 1.99 0.04 -1.26 -0.38 135.00 139.79 1x6b s PRO 66 Ca -0.10 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 1x6b s PRO 66 Cb -0.16 -2.43 0.33 0.00 0.04 0.00 0.00 34.50 32.28 1x6b s PRO 66 CO 0.06 -0.23 1.72 1.05 0.04 0.00 0.00 177.00 179.64 1x6b h GLU 67 N 2.26 0.67 -1.29 4.56 4.11 -1.87 -2.40 114.58 120.61 1x6b h GLU 67 Ca -0.49 -0.23 0.37 0.00 0.07 0.00 0.00 59.36 59.09 1x6b h GLU 67 Cb 1.22 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1x6b h GLU 67 CO 0.61 0.79 0.93 0.22 0.07 0.00 0.00 179.01 181.63 1x6b h ASP 68 N 0.61 0.03 -0.90 3.06 1.82 -1.92 1.38 116.42 120.49 1x6b h ASP 68 Ca 0.10 0.01 -0.58 0.00 -0.39 0.00 0.00 57.03 56.16 1x6b h ASP 68 Cb 0.60 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.31 1x6b h ASP 68 CO 0.04 0.00 0.47 0.49 -1.61 0.00 0.00 179.24 178.63 1x6b n PHE 69 N -4.18 2.93 -3.55 0.28 3.01 -0.90 -4.92 117.46 110.13 1x6b n PHE 69 Ca 0.28 -2.57 -0.08 0.00 1.01 0.00 0.00 57.45 56.10 1x6b n PHE 69 Cb 1.34 -1.09 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 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 -3.65 -1.93 -0.21 4.37 0.00 0.47 -3.63 121.76 117.19 1x6b s ALA 70 Ca 0.59 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1x6b s ALA 70 Cb 0.48 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.50 1x6b s ALA 70 CO 0.02 -0.53 -0.07 1.03 0.00 0.00 0.00 175.76 176.22 1x6b s ARG 71 N -2.23 1.68 -0.56 0.00 0.52 -0.82 -4.81 118.95 112.73 1x6b s ARG 71 Ca 0.04 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 1x6b s ARG 71 Cb -0.01 -2.39 -0.12 0.00 0.52 0.00 0.00 34.95 32.96 1x6b s ARG 71 CO -0.05 -0.51 2.42 1.19 0.02 0.00 0.00 175.30 178.37 1x6b n PHE 72 N 4.73 1.30 0.42 -0.53 3.72 -1.26 -2.72 117.46 123.13 1x6b n PHE 72 Ca -0.13 0.20 -0.19 0.00 -0.05 0.00 0.00 57.45 57.29 1x6b n PHE 72 Cb 0.46 -2.56 -0.09 0.00 -0.94 0.00 0.00 39.48 36.35 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 0.23 -3.40 4.37 2.04 -1.75 -3.43 117.51 123.15 1x6b h ILE 73 Ca -0.21 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.34 1x6b h ILE 73 Cb 1.29 0.23 -0.35 0.00 -0.74 0.00 0.00 36.82 37.25 1x6b h ILE 73 CO 1.17 0.00 -0.70 -0.44 0.00 0.00 0.00 178.15 178.17 1x6b s SER 74 N -4.27 0.31 -0.30 1.72 0.01 -1.26 -5.09 113.70 104.83 1x6b s SER 74 Ca -0.18 0.11 -0.17 0.00 1.31 0.00 0.00 55.95 57.01 1x6b s SER 74 Cb 0.03 -0.02 0.18 0.00 0.21 0.00 0.00 66.02 66.42 1x6b s SER 74 CO 0.61 -0.17 1.16 -0.83 0.41 0.00 0.00 173.24 174.43 1x6b s GLY 75 N 1.41 0.09 0.27 3.44 0.00 -1.26 -4.40 107.32 106.88 1x6b s GLY 75 Ca -0.05 3.40 -0.30 0.00 0.00 0.00 0.00 44.72 47.78 1x6b s GLY 75 CO -0.04 3.30 1.08 2.56 0.00 0.00 0.00 173.10 180.00 1x6b s PRO 76 N 2.18 4.67 -0.36 2.90 0.04 -1.26 -5.01 135.00 138.16 1x6b s PRO 76 Ca -0.01 1.76 0.03 0.00 0.04 0.00 0.00 61.00 62.82 1x6b s PRO 76 Cb -0.03 -3.20 0.19 0.00 0.04 0.00 0.00 34.50 31.49 1x6b s PRO 76 CO -0.17 0.25 0.73 -1.54 0.04 0.00 0.00 177.00 176.32 1x6b s SER 77 N -0.91 -1.25 0.09 6.66 1.04 -1.26 -5.14 113.70 112.93 1x6b s SER 77 Ca 0.44 -0.39 -0.30 0.00 0.48 0.00 0.00 55.95 56.18 1x6b s SER 77 Cb -0.31 1.65 -0.05 0.00 0.10 0.00 0.00 66.02 67.40 1x6b s SER 77 CO 0.40 -0.17 1.01 -0.44 0.98 0.00 0.00 173.24 175.02 1x6b s SER 78 N 2.18 7.39 0.00 7.02 0.01 -1.26 -5.34 113.70 123.69 1x6b s SER 78 Ca 0.15 1.83 0.04 0.00 1.31 0.00 0.00 55.95 59.29 1x6b s SER 78 Cb -0.04 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.64 1x6b s SER 78 CO -0.14 -0.18 0.64 0.61 0.41 0.00 0.00 173.24 174.58