#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 6.64 0.08 1.61 0.15 -1.26 -5.08 113.70 115.84 1x6b s SER 2 Ca 0.00 1.17 -0.26 0.00 0.70 0.00 0.00 55.95 57.56 1x6b s SER 2 Cb 0.00 -2.33 0.08 0.00 -1.71 0.00 0.00 66.02 62.06 1x6b s SER 2 CO 0.00 -0.28 0.70 -0.94 1.20 0.00 0.00 173.24 173.92 1x6b s SER 3 N -2.69 -0.52 0.00 5.45 1.04 -1.26 -5.17 113.70 110.55 1x6b s SER 3 Ca 0.52 0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1x6b s SER 3 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1x6b s SER 3 CO 0.24 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1x6b n GLY 4 N -0.16 3.90 3.69 7.32 0.00 -1.26 -5.20 105.19 113.48 1x6b n GLY 4 Ca -0.15 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 -0.07 0.37 1.61 0.15 -1.26 -5.16 113.70 109.34 1x6b s SER 5 Ca 0.00 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1x6b s SER 5 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1x6b s SER 5 CO 0.00 -0.44 0.00 -1.20 1.20 0.00 0.00 173.24 172.80 1x6b n SER 6 N -0.58 -5.04 0.00 5.45 7.64 -1.26 -5.08 113.62 114.76 1x6b n SER 6 Ca -0.07 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1x6b n SER 6 Cb 0.62 -2.83 0.00 0.00 -1.01 0.00 0.00 64.21 60.99 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 -2.61 0.87 3.59 0.23 0.00 -1.26 -4.90 105.19 101.11 1x6b n GLY 7 Ca -0.02 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.76 2.96 -0.31 1.61 0.51 -1.26 -4.99 118.94 114.71 1x6b s TRP 8 Ca 0.00 0.68 0.03 0.00 -2.12 0.00 0.00 56.10 54.69 1x6b s TRP 8 Cb 0.00 -3.98 0.09 0.00 -0.81 0.00 0.00 33.47 28.77 1x6b s TRP 8 CO 0.00 -1.03 0.02 -1.14 -0.51 0.00 0.00 176.95 174.29 1x6b s GLN 9 N 3.87 1.48 0.00 4.98 -0.44 -1.26 -4.99 119.66 123.30 1x6b s GLN 9 Ca 0.41 -1.53 0.00 0.00 -2.50 0.00 0.00 55.36 51.75 1x6b s GLN 9 Cb -0.10 -2.86 0.00 0.00 -1.64 0.00 0.00 33.01 28.41 1x6b s GLN 9 CO 0.24 -0.84 0.00 0.41 0.50 0.00 0.00 175.29 175.60 1x6b n GLY 10 N 4.44 -2.87 2.24 2.59 0.00 -1.26 -5.02 105.19 105.31 1x6b n GLY 10 Ca -0.02 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.22 0.32 -3.66 0.99 4.77 -1.26 -5.10 117.00 112.85 1x6b n LEU 11 Ca 0.00 -4.78 -0.03 0.00 -0.03 0.00 0.00 56.01 51.17 1x6b n LEU 11 Cb 0.00 0.72 -0.01 0.00 -2.33 0.00 0.00 43.42 41.80 1x6b n LEU 11 CO 0.00 2.21 0.86 -0.44 -1.33 0.00 0.00 177.39 178.69 1x6b s SER 12 N -2.00 -0.16 0.01 -1.43 0.01 -1.26 -5.17 113.70 103.70 1x6b s SER 12 Ca 0.37 -0.21 -0.00 0.00 1.31 0.00 0.00 55.95 57.42 1x6b s SER 12 Cb 0.29 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.82 1x6b s SER 12 CO -0.09 -0.59 0.10 -0.44 0.41 0.00 0.00 173.24 172.63 1x6b s SER 13 N -2.80 5.77 -0.26 2.44 0.01 -1.26 -5.09 113.70 112.51 1x6b s SER 13 Ca 0.11 0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.53 1x6b s SER 13 Cb 0.01 -1.67 0.08 0.00 0.21 0.00 0.00 66.02 64.64 1x6b s SER 13 CO -0.02 0.25 0.02 -0.54 0.41 0.00 0.00 173.24 173.37 1x6b s LYS 14 N -1.87 1.09 0.00 12.44 3.01 -1.26 -4.88 119.74 128.27 1x6b s LYS 14 Ca 0.25 -0.94 0.00 0.00 -1.01 0.00 0.00 55.97 54.26 1x6b s LYS 14 Cb -0.12 -2.34 0.00 0.00 -1.01 0.00 0.00 37.83 34.36 1x6b s LYS 14 CO 0.16 -0.75 0.00 0.41 0.51 0.00 0.00 175.35 175.68 1x6b n GLY 15 N 4.78 -0.19 0.28 -3.33 0.00 -1.26 -4.86 105.19 100.61 1x6b n GLY 15 Ca -0.07 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.10 1x6b n GLY 15 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1x6b h ASP 16 N 0.00 0.00 -3.88 1.61 1.82 -2.02 -3.43 116.42 110.53 1x6b h ASP 16 Ca 0.00 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.12 1x6b h ASP 16 Cb 0.00 0.00 0.21 0.00 0.68 0.00 0.00 39.33 40.22 1x6b h ASP 16 CO 0.00 0.00 -0.07 0.18 -1.61 0.00 0.00 179.24 177.74 1x6b n LEU 17 N -2.73 1.76 -4.81 2.28 4.77 -1.26 -4.97 117.00 112.04 1x6b n LEU 17 Ca -0.02 0.34 -0.32 0.00 -0.03 0.00 0.00 56.01 55.98 1x6b n LEU 17 Cb 0.18 -1.37 0.03 0.00 -2.33 0.00 0.00 43.42 39.94 1x6b n LEU 17 CO 0.14 -2.71 0.71 -2.16 -1.33 0.00 0.00 177.39 172.04 1x6b s PRO 18 N -4.28 3.14 0.00 3.23 0.04 -1.26 -4.91 135.00 130.96 1x6b s PRO 18 Ca 0.64 1.05 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 1x6b s PRO 18 Cb -0.22 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 1x6b s PRO 18 CO 0.62 -0.94 0.01 -0.65 0.04 0.00 0.00 177.00 176.07 1x6b s GLN 19 N -4.62 0.17 0.00 4.56 -0.21 -1.26 -1.57 119.66 116.73 1x6b s GLN 19 Ca 0.60 -0.27 0.03 0.00 0.02 0.00 0.00 55.36 55.74 1x6b s GLN 19 Cb -0.15 0.06 -0.01 0.00 1.00 0.00 0.00 33.01 33.92 1x6b s GLN 19 CO 0.47 -0.03 -0.10 0.14 -2.12 0.00 0.00 175.29 173.65 1x6b s VAL 20 N -0.70 0.77 -0.30 1.09 -7.23 -1.15 -1.95 120.40 110.93 1x6b s VAL 20 Ca -0.08 -0.53 -0.14 0.00 -1.81 0.00 0.00 61.98 59.42 1x6b s VAL 20 Cb -0.05 -0.67 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 1x6b s VAL 20 CO -0.00 0.13 0.31 -0.70 -0.31 0.00 0.00 175.10 174.52 1x6b s GLU 21 N -0.46 3.82 -0.23 4.82 2.12 -1.09 -2.67 118.70 125.02 1x6b s GLU 21 Ca 0.02 -0.26 -0.29 0.00 0.36 0.00 0.00 54.97 54.81 1x6b s GLU 21 Cb -0.05 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 1x6b s GLU 21 CO -0.00 -0.34 1.89 0.42 -0.54 0.00 0.00 175.26 176.69 1x6b s ILE 22 N 1.94 3.35 0.24 -3.70 -1.09 0.19 -2.05 121.20 120.07 1x6b s ILE 22 Ca 0.11 0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.92 1x6b s ILE 22 Cb -0.16 -3.42 -0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1x6b s ILE 22 CO 0.11 -0.22 1.61 0.71 -1.23 0.00 0.00 174.94 175.91 1x6b h THR 23 N 6.61 1.31 -3.80 2.92 1.35 -1.85 1.93 112.91 121.39 1x6b h THR 23 Ca -0.37 -1.61 -0.15 0.00 -0.55 0.00 0.00 66.41 63.72 1x6b h THR 23 Cb 1.19 1.64 -0.20 0.00 -1.73 0.00 0.00 68.15 69.05 1x6b h THR 23 CO 0.99 0.50 -0.60 -1.59 -0.25 0.00 0.00 175.52 174.57 1x6b s LYS 24 N -4.16 0.43 0.54 4.72 -2.85 -1.26 -4.18 119.74 112.98 1x6b s LYS 24 Ca -0.06 -0.58 -0.20 0.00 -1.00 0.00 0.00 55.97 54.12 1x6b s LYS 24 Cb 0.12 0.16 -0.07 0.00 -2.06 0.00 0.00 37.83 35.99 1x6b s LYS 24 CO 0.81 -0.09 0.89 0.00 0.10 0.00 0.00 175.35 177.06 1x6b n ALA 25 N 1.36 -0.07 -3.70 0.59 0.00 -1.26 -4.62 120.51 112.80 1x6b n ALA 25 Ca -0.22 0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 1x6b n ALA 25 Cb 0.56 -2.05 -0.11 0.00 0.00 0.00 0.00 19.45 17.85 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 -1.48 2.55 -0.18 0.00 5.36 -0.92 -4.91 117.98 118.39 1x6b s PHE 26 Ca 0.70 -2.91 -0.32 0.00 -0.96 0.00 0.00 56.93 53.45 1x6b s PHE 26 Cb -0.47 -2.00 -0.09 0.00 -0.34 0.00 0.00 43.02 40.13 1x6b s PHE 26 CO 0.52 -0.67 2.09 1.19 -1.46 0.00 0.00 175.22 176.89 1x6b n PHE 27 N 2.40 2.05 -2.40 10.12 3.72 -1.26 -3.18 117.46 128.91 1x6b n PHE 27 Ca 0.23 -0.03 -0.41 0.00 -0.05 0.00 0.00 57.45 57.19 1x6b n PHE 27 Cb 0.40 -2.67 -0.04 0.00 -0.94 0.00 0.00 39.48 36.22 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 6.45 3.43 -0.13 4.37 0.00 -1.26 -4.93 121.76 129.69 1x6b s ALA 28 Ca 0.99 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.96 1x6b s ALA 28 Cb -0.57 -3.38 -0.12 0.00 0.00 0.00 0.00 23.12 19.04 1x6b s ALA 28 CO 0.44 -0.30 -0.04 0.36 0.00 0.00 0.00 175.76 176.22 1x6b n LYS 29 N 1.92 1.32 -2.72 0.00 -0.00 -1.26 -4.90 118.16 112.51 1x6b n LYS 29 Ca 0.02 0.04 -0.22 0.00 -0.00 0.00 0.00 58.31 58.14 1x6b n LYS 29 Cb 0.45 -1.30 0.10 0.00 -0.00 0.00 0.00 35.03 34.27 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 -2.29 1.83 0.00 -1.58 -0.21 -1.26 -5.00 119.66 111.15 1x6b s GLN 30 Ca -0.12 -1.28 0.26 0.00 0.02 0.00 0.00 55.36 54.24 1x6b s GLN 30 Cb 0.04 -2.42 0.70 0.00 1.00 0.00 0.00 33.01 32.33 1x6b s GLN 30 CO 0.42 -1.30 1.53 0.00 -2.12 0.00 0.00 175.29 173.82 1x6b n ALA 31 N -2.68 3.24 0.07 6.09 0.00 -1.26 -3.47 120.51 122.49 1x6b n ALA 31 Ca 0.15 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.35 1x6b n ALA 31 Cb 0.61 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.07 0.38 -4.78 0.00 5.68 -1.26 -4.94 116.55 110.56 1x6b n ASP 32 Ca 0.09 0.12 -0.26 0.00 -0.50 0.00 0.00 54.79 54.24 1x6b n ASP 32 Cb 0.34 1.30 0.09 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 -3.44 1.90 -0.07 0.11 2.02 -1.23 -0.17 118.70 117.83 1x6b s GLU 33 Ca -0.04 -0.37 -0.06 0.00 0.02 0.00 0.00 54.97 54.52 1x6b s GLU 33 Cb 0.12 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 32.23 1x6b s GLU 33 CO 0.86 -1.44 0.17 0.54 0.02 0.00 0.00 175.26 175.41 1x6b s VAL 34 N -3.34 -0.01 0.20 2.63 0.11 -1.23 -4.57 120.40 114.19 1x6b s VAL 34 Ca 0.63 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.40 1x6b s VAL 34 Cb -0.09 -0.25 -0.08 0.00 -1.53 0.00 0.00 36.38 34.43 1x6b s VAL 34 CO 0.46 0.01 1.08 -0.89 -3.33 0.00 0.00 175.10 172.42 1x6b s THR 35 N 0.24 3.85 0.25 5.04 2.01 -1.25 -4.29 115.64 121.49 1x6b s THR 35 Ca -0.01 1.66 0.04 0.00 0.31 0.00 0.00 61.69 63.69 1x6b s THR 35 Cb -0.03 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1x6b s THR 35 CO -0.01 0.32 0.01 -0.76 -0.69 0.00 0.00 174.62 173.49 1x6b s LEU 36 N -0.64 2.16 0.36 4.42 1.43 -1.19 -4.92 118.68 120.31 1x6b s LEU 36 Ca 0.47 -1.26 0.09 0.00 -1.03 0.00 0.00 54.13 52.40 1x6b s LEU 36 Cb -0.29 -0.29 -0.07 0.00 0.03 0.00 0.00 46.19 45.57 1x6b s LEU 36 CO 0.36 -0.53 -0.05 -1.10 0.23 0.00 0.00 176.35 175.26 1x6b s GLN 37 N -3.87 1.90 0.10 1.70 -1.52 -1.26 -2.17 119.66 114.53 1x6b s GLN 37 Ca 0.31 -1.95 -0.31 0.00 -1.95 0.00 0.00 55.36 51.45 1x6b s GLN 37 Cb 0.06 -1.73 -0.09 0.00 -0.22 0.00 0.00 33.01 31.04 1x6b s GLN 37 CO 0.11 0.08 1.58 -1.14 -0.25 0.00 0.00 175.29 175.66 1x6b s GLN 38 N -3.66 4.22 -0.59 2.91 0.74 -1.26 -2.52 119.66 119.50 1x6b s GLN 38 Ca 0.34 2.28 -0.01 0.00 0.05 0.00 0.00 55.36 58.01 1x6b s GLN 38 Cb 0.04 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.73 1x6b s GLN 38 CO 0.17 -0.65 0.50 0.00 -0.55 0.00 0.00 175.29 174.76 1x6b n ALA 39 N 4.90 -0.84 -2.67 1.58 0.00 0.65 -4.98 120.51 119.15 1x6b n ALA 39 Ca 0.14 0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 1x6b n ALA 39 Cb 0.40 -1.87 -0.08 0.00 0.00 0.00 0.00 19.45 17.90 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 -3.48 4.97 -0.10 0.00 1.11 -1.05 -4.85 116.67 113.27 1x6b s ASP 40 Ca 0.09 -0.16 -0.04 0.00 0.18 0.00 0.00 52.55 52.61 1x6b s ASP 40 Cb -0.04 -1.18 -0.04 0.00 1.07 0.00 0.00 42.92 42.73 1x6b s ASP 40 CO 0.34 0.20 0.06 -0.69 1.18 0.00 0.00 175.17 176.26 1x6b s VAL 41 N -1.25 4.83 -0.02 -1.27 1.01 -1.26 0.55 120.40 122.98 1x6b s VAL 41 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1x6b s VAL 41 Cb -0.12 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.22 1x6b s VAL 41 CO 0.16 0.60 0.03 -0.69 0.00 0.00 0.00 175.10 175.19 1x6b s VAL 42 N -0.96 -0.02 -0.46 2.92 1.01 -1.09 -2.87 120.40 118.92 1x6b s VAL 42 Ca 0.15 0.20 -0.24 0.00 0.00 0.00 0.00 61.98 62.09 1x6b s VAL 42 Cb -0.12 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.18 1x6b s VAL 42 CO 0.04 0.10 0.86 -0.22 0.00 0.00 0.00 175.10 175.87 1x6b s LEU 43 N 1.10 4.13 0.37 3.92 2.96 0.13 -2.95 118.68 128.34 1x6b s LEU 43 Ca -0.09 -0.02 -0.28 0.00 -0.22 0.00 0.00 54.13 53.52 1x6b s LEU 43 Cb -0.13 -3.07 -0.11 0.00 0.50 0.00 0.00 46.19 43.38 1x6b s LEU 43 CO -0.03 -0.99 1.49 -0.69 -1.32 0.00 0.00 176.35 174.81 1x6b s VAL 44 N 3.54 2.04 -0.00 1.68 1.01 -0.61 0.19 120.40 128.25 1x6b s VAL 44 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1x6b s VAL 44 Cb -0.11 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1x6b s VAL 44 CO 0.24 0.01 -0.00 0.18 0.00 0.00 0.00 175.10 175.53 1x6b n LEU 45 N 0.51 2.84 -3.67 3.92 4.77 0.50 -4.55 117.00 121.32 1x6b n LEU 45 Ca 0.01 -0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 1x6b n LEU 45 Cb 0.39 -0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.32 1x6b n LEU 45 CO 0.64 0.47 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.80 1x6b s GLN 46 N -2.00 -0.00 -0.37 3.23 -0.21 -0.86 -4.98 119.66 114.47 1x6b s GLN 46 Ca -0.00 0.49 -0.15 0.00 0.02 0.00 0.00 55.36 55.72 1x6b s GLN 46 Cb 0.00 -0.34 -0.00 0.00 1.00 0.00 0.00 33.01 33.67 1x6b s GLN 46 CO 0.00 -0.31 0.35 -0.65 -2.12 0.00 0.00 175.29 172.57 1x6b s GLN 47 N 2.19 3.36 -0.21 2.91 -0.21 -1.26 0.67 119.66 127.11 1x6b s GLN 47 Ca 0.03 -0.62 0.02 0.00 0.02 0.00 0.00 55.36 54.81 1x6b s GLN 47 Cb -0.12 -3.87 0.04 0.00 1.00 0.00 0.00 33.01 30.06 1x6b s GLN 47 CO -0.05 -0.62 -0.15 -2.00 -2.12 0.00 0.00 175.29 170.35 1x6b s GLU 48 N 1.95 2.51 -0.80 2.91 2.56 -0.21 -5.00 118.70 122.63 1x6b s GLU 48 Ca 0.10 -1.02 -0.33 0.00 0.00 0.00 0.00 54.97 53.72 1x6b s GLU 48 Cb -0.17 -2.65 -0.20 0.00 2.00 0.00 0.00 34.13 33.11 1x6b s GLU 48 CO 0.12 -0.38 2.39 -3.47 -0.56 0.00 0.00 175.26 173.35 1x6b n ASP 49 N 4.57 0.40 0.00 -1.70 2.03 -1.26 0.14 116.55 120.73 1x6b n ASP 49 Ca -0.17 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1x6b n ASP 49 Cb 0.46 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 6.41 3.73 3.00 0.27 0.00 -1.26 -5.07 105.19 112.27 1x6b n GLY 50 Ca 0.59 -0.99 -0.10 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 0.00 0.13 -0.19 1.61 0.52 0.37 -4.70 118.94 116.68 1x6b s TRP 51 Ca 0.00 -0.27 -0.00 0.00 0.02 0.00 0.00 56.10 55.85 1x6b s TRP 51 Cb 0.00 -0.11 0.02 0.00 -1.15 0.00 0.00 33.47 32.23 1x6b s TRP 51 CO 0.00 -0.18 -0.16 -0.51 0.02 0.00 0.00 176.95 176.12 1x6b s LEU 52 N -1.11 2.35 0.09 2.99 2.01 0.42 -1.04 118.68 124.39 1x6b s LEU 52 Ca -0.12 -0.62 -0.14 0.00 0.01 0.00 0.00 54.13 53.26 1x6b s LEU 52 Cb -0.07 -1.54 -0.06 0.00 0.01 0.00 0.00 46.19 44.52 1x6b s LEU 52 CO -0.00 -0.01 0.49 -0.47 1.01 0.00 0.00 176.35 177.36 1x6b s TYR 53 N 1.33 3.65 0.08 0.29 5.04 0.21 -0.20 117.35 127.75 1x6b s TYR 53 Ca 0.05 1.00 -0.07 0.00 -2.44 0.00 0.00 57.07 55.61 1x6b s TYR 53 Cb -0.14 -2.32 0.03 0.00 0.35 0.00 0.00 41.96 39.89 1x6b s TYR 53 CO -0.11 0.51 0.35 0.41 -1.34 0.00 0.00 175.55 175.38 1x6b n GLY 54 N 1.13 1.15 3.05 8.97 0.00 -0.99 0.19 105.19 118.69 1x6b n GLY 54 Ca -0.08 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 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 1.90 -0.16 1.61 -6.30 0.51 -2.02 118.70 112.23 1x6b s GLU 55 Ca 0.08 -0.48 -0.29 0.00 -2.50 0.00 0.00 54.97 51.77 1x6b s GLU 55 Cb -0.01 -1.55 -0.04 0.00 0.00 0.00 0.00 34.13 32.54 1x6b s GLU 55 CO 0.02 0.04 1.59 0.50 0.02 0.00 0.00 175.26 177.44 1x6b s ARG 56 N 0.63 3.98 0.09 4.30 3.52 0.27 0.21 118.95 131.95 1x6b s ARG 56 Ca -0.15 1.85 0.14 0.00 -0.13 0.00 0.00 55.73 57.44 1x6b s ARG 56 Cb -0.16 -3.99 0.62 0.00 -1.56 0.00 0.00 34.95 29.86 1x6b s ARG 56 CO 0.04 -1.07 1.44 1.28 -0.81 0.00 0.00 175.30 176.17 1x6b n LEU 57 N 7.79 0.21 0.22 -0.88 7.99 -1.14 0.21 117.00 131.41 1x6b n LEU 57 Ca 0.18 0.57 -0.09 0.00 -0.01 0.00 0.00 56.01 56.66 1x6b n LEU 57 Cb 0.44 -0.55 -0.04 0.00 -0.11 0.00 0.00 43.42 43.16 1x6b n LEU 57 CO 0.63 -0.46 0.45 -0.09 -1.51 0.00 0.00 177.39 176.41 1x6b h ARG 58 N 0.00 -0.56 0.00 3.23 2.43 -1.88 -3.40 114.38 114.20 1x6b h ARG 58 Ca 0.00 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1x6b h ARG 58 Cb 0.19 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1x6b h ARG 58 CO 0.00 -0.37 -1.40 -3.47 -1.51 0.00 0.00 179.97 173.22 1x6b n ASP 59 N -3.72 3.36 0.00 -3.80 -0.08 -1.17 -5.00 116.55 106.13 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 0.23 0.95 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 2.37 1.16 3.70 0.27 0.00 0.55 -5.04 105.19 108.20 1x6b n GLY 60 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.50 4.13 -0.31 1.61 2.12 -1.20 -4.42 118.70 120.13 1x6b s GLU 61 Ca 0.00 2.60 -0.07 0.00 0.36 0.00 0.00 54.97 57.86 1x6b s GLU 61 Cb 0.00 -3.42 0.02 0.00 0.26 0.00 0.00 34.13 30.99 1x6b s GLU 61 CO 0.00 -0.81 0.10 0.99 -0.54 0.00 0.00 175.26 175.00 1x6b s THR 62 N 2.22 4.02 0.22 -1.70 2.01 -1.26 0.96 115.64 122.11 1x6b s THR 62 Ca 0.79 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1x6b s THR 62 Cb -0.47 -3.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 1x6b s THR 62 CO 0.35 -0.01 0.27 0.61 -0.69 0.00 0.00 174.62 175.15 1x6b n GLY 63 N 4.87 2.71 3.72 4.40 0.00 -0.86 -4.96 105.19 115.08 1x6b n GLY 63 Ca -0.14 -1.60 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.47 3.46 -0.04 1.61 0.52 0.76 -2.36 118.94 119.43 1x6b s TRP 64 Ca 0.20 0.67 0.02 0.00 0.02 0.00 0.00 56.10 57.01 1x6b s TRP 64 Cb -0.00 -2.42 0.01 0.00 -1.15 0.00 0.00 33.47 29.92 1x6b s TRP 64 CO 0.14 0.19 -0.07 -0.59 0.02 0.00 0.00 176.95 176.64 1x6b s PHE 65 N 0.60 0.89 0.55 -1.98 -0.12 0.73 -3.56 117.98 115.08 1x6b s PHE 65 Ca 0.19 -0.25 -0.18 0.00 -0.05 0.00 0.00 56.93 56.65 1x6b s PHE 65 Cb -0.14 -0.70 -0.06 0.00 -0.63 0.00 0.00 43.02 41.50 1x6b s PHE 65 CO 0.06 -0.16 1.04 -1.25 -0.05 0.00 0.00 175.22 174.86 1x6b s PRO 66 N 0.59 3.56 0.18 1.99 0.04 -1.26 -0.44 135.00 139.66 1x6b s PRO 66 Ca -0.09 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.17 1x6b s PRO 66 Cb -0.12 -2.07 0.07 0.00 0.04 0.00 0.00 34.50 32.43 1x6b s PRO 66 CO 0.01 -0.62 1.45 1.05 0.04 0.00 0.00 177.00 178.93 1x6b h GLU 67 N 0.91 0.46 -0.45 4.56 4.11 -1.88 -2.86 114.58 119.44 1x6b h GLU 67 Ca -0.48 -0.35 0.13 0.00 0.07 0.00 0.00 59.36 58.73 1x6b h GLU 67 Cb 1.22 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1x6b h GLU 67 CO 0.58 0.97 0.56 -0.44 0.07 0.00 0.00 179.01 180.75 1x6b h ASP 68 N 0.33 0.00 -0.71 3.06 5.19 -1.94 1.09 116.42 123.44 1x6b h ASP 68 Ca -0.02 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 55.98 1x6b h ASP 68 Cb 1.24 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.51 1x6b h ASP 68 CO 0.12 0.00 0.23 0.49 -3.12 0.00 0.00 179.24 176.96 1x6b n PHE 69 N -3.51 2.25 -3.60 4.55 3.01 -1.08 -4.95 117.46 114.13 1x6b n PHE 69 Ca 0.08 -2.01 -0.06 0.00 1.01 0.00 0.00 57.45 56.47 1x6b n PHE 69 Cb 0.74 -0.79 -0.02 0.00 -0.01 0.00 0.00 39.48 39.40 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 -3.41 -1.79 -0.16 4.37 0.00 0.37 -3.52 121.76 117.63 1x6b s ALA 70 Ca 0.53 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 1x6b s ALA 70 Cb 0.45 0.47 0.05 0.00 0.00 0.00 0.00 23.12 24.09 1x6b s ALA 70 CO 0.03 -0.82 0.01 1.03 0.00 0.00 0.00 175.76 176.02 1x6b s ARG 71 N -3.13 0.76 -0.47 0.00 0.52 -0.87 -4.82 118.95 110.93 1x6b s ARG 71 Ca 0.08 -0.30 -0.31 0.00 -0.52 0.00 0.00 55.73 54.69 1x6b s ARG 71 Cb -0.01 -1.79 -0.11 0.00 0.52 0.00 0.00 34.95 33.56 1x6b s ARG 71 CO -0.05 -0.52 2.34 1.19 0.02 0.00 0.00 175.30 178.28 1x6b n PHE 72 N 5.05 1.44 0.18 -0.53 3.72 -1.26 -2.66 117.46 123.40 1x6b n PHE 72 Ca -0.09 0.19 -0.07 0.00 -0.05 0.00 0.00 57.45 57.43 1x6b n PHE 72 Cb 0.48 -2.57 -0.04 0.00 -0.94 0.00 0.00 39.48 36.42 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 7.43 0.00 -3.16 4.37 2.04 -1.77 -3.42 117.51 122.99 1x6b h ILE 73 Ca -0.25 0.00 -0.50 0.00 1.00 0.00 0.00 64.86 65.11 1x6b h ILE 73 Cb 1.29 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 36.97 1x6b h ILE 73 CO 1.11 0.00 -0.76 -0.55 0.00 0.00 0.00 178.15 177.95 1x6b s SER 74 N -2.74 2.77 0.00 1.72 0.15 -1.26 -5.11 113.70 109.23 1x6b s SER 74 Ca -0.07 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1x6b s SER 74 Cb 0.01 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 1x6b s SER 74 CO 0.21 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1x6b n GLY 75 N 5.14 4.66 3.61 9.45 0.00 -1.26 -4.53 105.19 122.26 1x6b n GLY 75 Ca -0.08 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 2.31 3.68 -0.30 1.61 0.04 -1.26 -4.92 135.00 136.16 1x6b s PRO 76 Ca 0.00 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.05 1x6b s PRO 76 Cb 0.00 -3.99 0.19 0.00 0.04 0.00 0.00 34.50 30.74 1x6b s PRO 76 CO 0.00 -1.43 0.83 0.45 0.04 0.00 0.00 177.00 176.89 1x6b s SER 77 N 3.65 -0.96 0.79 6.66 0.15 -1.26 -5.16 113.70 117.56 1x6b s SER 77 Ca 0.60 0.28 -0.12 0.00 0.70 0.00 0.00 55.95 57.41 1x6b s SER 77 Cb -0.15 1.68 0.07 0.00 -1.71 0.00 0.00 66.02 65.91 1x6b s SER 77 CO 0.30 -0.18 1.14 -0.44 1.20 0.00 0.00 173.24 175.26 1x6b s SER 78 N 2.90 4.04 0.00 5.45 0.01 -1.26 -5.23 113.70 119.61 1x6b s SER 78 Ca 0.15 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.50 1x6b s SER 78 Cb -0.08 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1x6b s SER 78 CO -0.21 -2.35 0.00 0.61 0.41 0.00 0.00 173.24 171.69