#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjo s VAL 2 N 0.00 1.32 0.20 2.03 1.01 -1.26 -4.91 120.40 118.78 1qjo s VAL 2 Ca 0.00 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.01 1qjo s VAL 2 Cb 0.00 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 1qjo s VAL 2 CO 0.00 0.00 -0.03 -0.54 0.00 0.00 0.00 175.10 174.53 1qjo s LYS 3 N -3.81 1.24 -0.07 2.72 -0.14 0.27 -4.96 119.74 114.98 1qjo s LYS 3 Ca 0.19 -1.60 -0.01 0.00 -1.36 0.00 0.00 55.97 53.19 1qjo s LYS 3 Cb 0.05 -0.57 -0.03 0.00 -1.68 0.00 0.00 37.83 35.60 1qjo s LYS 3 CO 0.10 -0.06 -0.01 -1.21 -0.76 0.00 0.00 175.35 173.40 1qjo s GLU 4 N -3.84 2.91 -0.38 1.68 8.01 -1.26 0.54 118.70 126.35 1qjo s GLU 4 Ca 0.25 -0.46 -0.01 0.00 0.01 0.00 0.00 54.97 54.76 1qjo s GLU 4 Cb 0.05 -2.74 0.10 0.00 -4.31 0.00 0.00 34.13 27.24 1qjo s GLU 4 CO 0.06 0.69 0.15 0.08 0.01 0.00 0.00 175.26 176.24 1qjo s VAL 5 N -0.89 2.99 0.65 2.63 1.01 0.22 -4.68 120.40 122.34 1qjo s VAL 5 Ca 0.14 -2.08 -0.00 0.00 0.00 0.00 0.00 61.98 60.03 1qjo s VAL 5 Cb -0.11 -3.06 0.08 0.00 0.00 0.00 0.00 36.38 33.29 1qjo s VAL 5 CO 0.03 -0.62 0.91 0.54 0.00 0.00 0.00 175.10 175.96 1qjo s ASN 6 N 1.54 4.77 -0.08 3.32 2.20 -1.26 -0.64 114.94 124.78 1qjo s ASN 6 Ca 0.08 -0.15 0.02 0.00 -0.94 0.00 0.00 52.86 51.87 1qjo s ASN 6 Cb -0.22 -0.46 -0.02 0.00 -2.00 0.00 0.00 41.25 38.55 1qjo s ASN 6 CO -0.05 -1.55 -0.11 -0.69 -2.94 0.00 0.00 177.10 171.76 1qjo s VAL 7 N -3.00 3.30 0.42 3.54 1.01 -0.96 -4.72 120.40 120.00 1qjo s VAL 7 Ca 0.62 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1qjo s VAL 7 Cb -0.08 -2.34 0.10 0.00 0.00 0.00 0.00 36.38 34.06 1qjo s VAL 7 CO 0.42 0.57 0.36 -0.81 0.00 0.00 0.00 175.10 175.64 1qjo n PRO 8 N 2.62 -1.84 0.00 2.72 -0.04 -1.26 -0.36 135.00 136.84 1qjo n PRO 8 Ca -0.18 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 1qjo n PRO 8 Cb 0.53 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 1qjo n PRO 8 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qjo n ASP 9 N -3.65 0.00 -1.97 3.54 5.68 -1.26 -2.94 116.55 115.95 1qjo n ASP 9 Ca 0.05 -1.02 -0.11 0.00 -0.50 0.00 0.00 54.79 53.21 1qjo n ASP 9 Cb 0.20 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.03 1qjo n ASP 9 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1qjo n ILE 10 N 2.16 2.91 0.00 2.12 -5.35 -1.26 -4.89 119.36 115.04 1qjo n ILE 10 Ca 0.00 -1.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.03 1qjo n ILE 10 Cb 0.00 -1.93 0.00 0.00 -1.74 0.00 0.00 39.64 35.97 1qjo n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qjo n GLY 11 N 2.33 1.51 0.04 3.28 0.00 -1.26 -4.75 105.19 106.34 1qjo n GLY 11 Ca 0.39 -2.12 -0.00 0.00 0.00 0.00 0.00 46.02 44.28 1qjo n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjo n GLY 12 N 0.18 -0.70 0.00 -0.02 0.00 -1.26 -4.56 105.19 98.83 1qjo n GLY 12 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1qjo n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjo n ASP 13 N -2.30 0.00 -4.10 1.61 9.92 -1.26 -5.06 116.55 115.37 1qjo n ASP 13 Ca -0.14 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 53.96 1qjo n ASP 13 Cb 0.70 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 41.06 1qjo n ASP 13 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1qjo s GLU 14 N 0.56 0.67 0.11 -1.24 2.12 -1.26 -4.92 118.70 114.73 1qjo s GLU 14 Ca 0.00 -0.76 -0.04 0.00 0.36 0.00 0.00 54.97 54.54 1qjo s GLU 14 Cb 0.00 -0.56 -0.03 0.00 0.26 0.00 0.00 34.13 33.80 1qjo s GLU 14 CO 0.00 0.12 0.10 0.14 -0.54 0.00 0.00 175.26 175.09 1qjo s VAL 15 N -1.14 0.13 0.54 3.70 -7.23 -1.06 -4.75 120.40 110.59 1qjo s VAL 15 Ca -0.05 -1.66 0.04 0.00 -1.81 0.00 0.00 61.98 58.49 1qjo s VAL 15 Cb -0.09 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.10 1qjo s VAL 15 CO 0.01 -0.59 0.25 -1.83 -0.31 0.00 0.00 175.10 172.63 1qjo s GLU 16 N -3.97 2.23 -0.32 4.82 -1.05 0.14 -0.11 118.70 120.44 1qjo s GLU 16 Ca 0.16 -2.18 -0.05 0.00 -0.15 0.00 0.00 54.97 52.74 1qjo s GLU 16 Cb 0.06 -1.87 0.04 0.00 -0.44 0.00 0.00 34.13 31.92 1qjo s GLU 16 CO -0.03 -0.54 0.07 0.08 0.95 0.00 0.00 175.26 175.79 1qjo s VAL 17 N -2.82 3.59 -0.16 1.83 1.01 0.64 -1.26 120.40 123.23 1qjo s VAL 17 Ca 0.22 -1.11 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1qjo s VAL 17 Cb -0.01 -3.00 -0.23 0.00 0.00 0.00 0.00 36.38 33.14 1qjo s VAL 17 CO 0.14 -0.10 0.24 1.07 0.00 0.00 0.00 175.10 176.45 1qjo n THR 18 N 4.77 1.69 -3.77 3.92 5.66 0.44 0.55 114.28 127.55 1qjo n THR 18 Ca -0.13 -0.48 -0.30 0.00 -3.05 0.00 0.00 64.05 60.09 1qjo n THR 18 Cb 0.45 -1.79 -0.15 0.00 -1.55 0.00 0.00 70.33 67.29 1qjo n THR 18 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1qjo s GLU 19 N -2.50 0.80 -1.22 1.09 2.02 -1.14 -4.83 118.70 112.91 1qjo s GLU 19 Ca -0.26 -1.14 -0.13 0.00 0.02 0.00 0.00 54.97 53.47 1qjo s GLU 19 Cb 0.07 -2.12 -0.06 0.00 0.10 0.00 0.00 34.13 32.12 1qjo s GLU 19 CO 0.70 -0.97 2.34 1.55 0.02 0.00 0.00 175.26 178.89 1qjo n VAL 20 N 4.79 3.09 -0.22 2.63 3.14 -1.26 -0.52 118.33 129.97 1qjo n VAL 20 Ca -0.02 -2.20 0.20 0.00 -2.96 0.00 0.00 64.34 59.36 1qjo n VAL 20 Cb 0.42 -2.43 0.31 0.00 -1.06 0.00 0.00 33.84 31.08 1qjo n VAL 20 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1qjo n MET 21 N 5.13 0.00 -3.98 1.45 2.81 -1.04 -4.63 117.12 116.85 1qjo n MET 21 Ca 0.57 0.52 -0.24 0.00 -1.81 0.00 0.00 57.70 56.75 1qjo n MET 21 Cb 0.28 -1.26 -0.06 0.00 -0.71 0.00 0.00 33.22 31.47 1qjo n MET 21 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1qjo s VAL 22 N -3.55 2.38 0.13 2.03 0.11 -1.02 -5.01 120.40 115.47 1qjo s VAL 22 Ca -0.02 -1.60 -0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1qjo s VAL 22 Cb 0.10 -2.98 -0.04 0.00 -1.53 0.00 0.00 36.38 31.92 1qjo s VAL 22 CO 0.33 0.00 0.03 -0.54 -3.33 0.00 0.00 175.10 171.60 1qjo s LYS 23 N -3.97 0.92 -0.24 1.54 -0.14 -1.26 -5.10 119.74 111.48 1qjo s LYS 23 Ca 0.43 -1.43 -0.29 0.00 -1.36 0.00 0.00 55.97 53.32 1qjo s LYS 23 Cb 0.02 0.14 -0.02 0.00 -1.68 0.00 0.00 37.83 36.30 1qjo s LYS 23 CO 0.24 -0.22 1.47 0.08 -0.76 0.00 0.00 175.35 176.16 1qjo s VAL 24 N -3.96 3.91 0.00 3.17 1.01 -1.26 -3.05 120.40 120.22 1qjo s VAL 24 Ca 0.22 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1qjo s VAL 24 Cb 0.07 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1qjo s VAL 24 CO 0.01 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.38 1qjo n GLY 25 N 4.42 1.06 2.12 4.51 0.00 -0.26 -4.99 105.19 112.06 1qjo n GLY 25 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1qjo n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjo n ASP 26 N 0.00 -2.74 -4.39 1.61 9.92 -1.17 -4.54 116.55 115.23 1qjo n ASP 26 Ca 0.00 -0.71 -0.35 0.00 -0.53 0.00 0.00 54.79 53.20 1qjo n ASP 26 Cb 0.00 -0.64 -0.13 0.00 -0.64 0.00 0.00 41.12 39.71 1qjo n ASP 26 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1qjo s LYS 27 N -4.44 3.52 -0.31 -1.24 -0.14 -1.26 -2.22 119.74 113.65 1qjo s LYS 27 Ca 0.44 -0.57 0.02 0.00 -1.36 0.00 0.00 55.97 54.51 1qjo s LYS 27 Cb -0.06 -3.04 0.09 0.00 -1.68 0.00 0.00 37.83 33.14 1qjo s LYS 27 CO 0.36 -0.06 0.03 0.08 -0.76 0.00 0.00 175.35 175.00 1qjo s VAL 28 N 1.16 1.87 0.44 3.17 1.01 0.14 -4.97 120.40 123.21 1qjo s VAL 28 Ca 0.02 -1.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.05 1qjo s VAL 28 Cb -0.14 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1qjo s VAL 28 CO 0.00 -0.51 0.68 0.00 0.00 0.00 0.00 175.10 175.27 1qjo s ALA 29 N 1.14 3.64 1.03 5.51 0.00 -1.26 0.26 121.76 132.07 1qjo s ALA 29 Ca 0.07 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1qjo s ALA 29 Cb -0.19 -2.25 0.21 0.00 0.00 0.00 0.00 23.12 20.89 1qjo s ALA 29 CO -0.11 -0.31 1.08 0.00 0.00 0.00 0.00 175.76 176.41 1qjo s ALA 30 N -2.56 0.53 0.00 0.00 0.00 -1.24 -2.37 121.76 116.12 1qjo s ALA 30 Ca 0.46 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1qjo s ALA 30 Cb -0.10 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1qjo s ALA 30 CO 0.39 -3.25 0.00 0.39 0.00 0.00 0.00 175.76 173.29 1qjo n GLU 31 N -4.53 0.00 -2.62 0.00 -0.58 -1.26 -4.86 120.64 106.79 1qjo n GLU 31 Ca 0.07 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.38 1qjo n GLU 31 Cb 0.53 -1.92 -0.02 0.00 -0.57 0.00 0.00 31.44 29.46 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1qjo s GLN 32 N 0.00 3.75 0.27 3.49 0.74 -1.00 -4.83 119.66 122.08 1qjo s GLN 32 Ca 0.00 0.59 -0.28 0.00 0.05 0.00 0.00 55.36 55.72 1qjo s GLN 32 Cb 0.00 -3.89 -0.15 0.00 1.10 0.00 0.00 33.01 30.07 1qjo s GLN 32 CO 0.00 -1.32 0.91 0.45 -0.55 0.00 0.00 175.29 174.78 1qjo n SER 33 N 7.70 0.78 -0.08 6.67 2.88 -1.26 -1.69 113.62 128.61 1qjo n SER 33 Ca 0.12 1.17 -0.14 0.00 -1.33 0.00 0.00 58.87 58.68 1qjo n SER 33 Cb 0.49 -1.22 -0.05 0.00 -0.75 0.00 0.00 64.21 62.68 1qjo n SER 33 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qjo n LEU 34 N 1.39 1.72 -3.77 2.46 4.77 0.10 -4.74 117.00 118.93 1qjo n LEU 34 Ca 0.11 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 1qjo n LEU 34 Cb 0.30 -0.67 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1qjo n LEU 34 CO 0.59 -0.02 -0.03 0.27 -1.33 0.00 0.00 177.39 176.87 1qjo s ILE 35 N -2.61 0.01 -0.20 -0.08 -0.00 -0.88 -2.43 121.20 115.01 1qjo s ILE 35 Ca -0.27 -0.09 -0.23 0.00 -0.00 0.00 0.00 60.65 60.05 1qjo s ILE 35 Cb 0.07 -0.45 -0.02 0.00 -0.00 0.00 0.00 42.46 42.06 1qjo s ILE 35 CO 0.37 -0.05 0.75 -0.89 -0.00 0.00 0.00 174.94 175.12 1qjo s THR 36 N -0.11 4.93 0.14 8.37 2.01 0.32 -1.46 115.64 129.84 1qjo s THR 36 Ca -0.02 1.44 0.08 0.00 0.31 0.00 0.00 61.69 63.50 1qjo s THR 36 Cb -0.03 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1qjo s THR 36 CO 0.01 0.04 -0.11 0.68 -0.69 0.00 0.00 174.62 174.55 1qjo s VAL 37 N 2.21 3.23 0.03 3.82 -7.23 0.22 -0.42 120.40 122.25 1qjo s VAL 37 Ca 0.34 -1.48 0.02 0.00 -1.81 0.00 0.00 61.98 59.05 1qjo s VAL 37 Cb -0.16 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 1qjo s VAL 37 CO 0.11 0.01 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.14 1qjo s GLU 38 N -2.49 0.44 0.00 4.82 -6.30 -0.39 -0.60 118.70 114.18 1qjo s GLU 38 Ca 0.23 -0.64 0.00 0.00 -2.50 0.00 0.00 54.97 52.06 1qjo s GLU 38 Cb -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 34.13 33.84 1qjo s GLU 38 CO 0.14 0.03 0.55 0.41 0.02 0.00 0.00 175.26 176.41 1qjo n GLY 39 N 1.70 -0.05 0.00 -1.50 0.00 -1.26 0.25 105.19 104.33 1qjo n GLY 39 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1qjo n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qjo n ASP 40 N -0.13 0.00 -0.91 1.61 2.03 -1.26 -4.86 116.55 113.03 1qjo n ASP 40 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 1qjo n ASP 40 Cb 0.15 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.52 1qjo n ASP 40 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1qjo n LYS 41 N 1.91 -1.42 -2.71 -0.67 4.76 -1.26 -4.80 118.16 113.97 1qjo n LYS 41 Ca 0.00 0.43 -0.21 0.00 -2.87 0.00 0.00 58.31 55.67 1qjo n LYS 41 Cb 0.00 -4.37 -0.00 0.00 -1.84 0.00 0.00 35.03 28.82 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qjo n ALA 42 N 0.12 4.10 -1.49 7.82 0.00 -1.26 -5.07 120.51 124.72 1qjo n ALA 42 Ca -0.06 -3.92 -0.13 0.00 0.00 0.00 0.00 53.44 49.32 1qjo n ALA 42 Cb 0.27 -0.74 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 1qjo n ALA 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1qjo n SER 43 N -0.21 0.70 -4.61 0.00 7.64 -1.26 -4.14 113.62 111.73 1qjo n SER 43 Ca 0.27 -1.62 -0.30 0.00 1.01 0.00 0.00 58.87 58.23 1qjo n SER 43 Cb 0.66 -1.38 -0.09 0.00 -1.01 0.00 0.00 64.21 62.39 1qjo n SER 43 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1qjo s MET 44 N 8.08 2.07 0.19 1.43 -1.94 0.23 -5.00 119.30 124.36 1qjo s MET 44 Ca 0.86 -2.28 0.08 0.00 -1.71 0.00 0.00 55.69 52.64 1qjo s MET 44 Cb -0.21 -1.37 -0.04 0.00 2.01 0.00 0.00 34.83 35.21 1qjo s MET 44 CO 0.18 -0.30 -0.16 -1.21 -0.01 0.00 0.00 175.02 173.52 1qjo s GLU 45 N -3.82 1.31 -0.21 2.03 2.02 -1.26 0.70 118.70 119.47 1qjo s GLU 45 Ca 0.16 -1.51 -0.01 0.00 0.02 0.00 0.00 54.97 53.63 1qjo s GLU 45 Cb 0.04 -1.22 0.06 0.00 0.10 0.00 0.00 34.13 33.11 1qjo s GLU 45 CO 0.09 0.22 -0.02 0.08 0.02 0.00 0.00 175.26 175.65 1qjo s VAL 46 N -2.57 1.10 0.87 2.63 1.01 -0.53 -4.88 120.40 118.04 1qjo s VAL 46 Ca 0.20 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1qjo s VAL 46 Cb -0.03 -1.45 0.19 0.00 0.00 0.00 0.00 36.38 35.10 1qjo s VAL 46 CO 0.07 -0.11 1.19 -0.81 0.00 0.00 0.00 175.10 175.44 1qjo n PRO 47 N 4.84 -0.93 -1.79 2.72 -0.04 -1.26 0.01 135.00 138.55 1qjo n PRO 47 Ca -0.11 -2.14 -0.40 0.00 -0.04 0.00 0.00 63.50 60.80 1qjo n PRO 47 Cb 0.46 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 1qjo n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qjo s ALA 48 N -3.75 2.40 0.17 0.55 0.00 -0.68 -4.58 121.76 115.86 1qjo s ALA 48 Ca 0.70 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.95 1qjo s ALA 48 Cb -0.02 -4.16 0.62 0.00 0.00 0.00 0.00 23.12 19.55 1qjo s ALA 48 CO 0.48 -3.35 0.72 -0.35 0.00 0.00 0.00 175.76 173.26 1qjo n PRO 49 N 8.80 -0.03 -3.85 0.00 -0.04 -1.26 -4.18 135.00 134.44 1qjo n PRO 49 Ca 0.28 0.62 -0.09 0.00 -0.04 0.00 0.00 63.50 64.27 1qjo n PRO 49 Cb 0.49 -1.13 0.01 0.00 -0.04 0.00 0.00 33.50 32.84 1qjo n PRO 49 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1qjo s PHE 50 N -4.66 0.21 -0.63 0.54 -0.12 -1.26 -4.96 117.98 107.10 1qjo s PHE 50 Ca -0.04 -0.81 -0.22 0.00 -0.05 0.00 0.00 56.93 55.81 1qjo s PHE 50 Cb 0.15 0.71 0.07 0.00 -0.63 0.00 0.00 43.02 43.32 1qjo s PHE 50 CO 0.36 -1.48 0.90 0.00 -0.05 0.00 0.00 175.22 174.95 1qjo s ALA 51 N -2.57 3.18 0.34 1.99 0.00 -1.26 -3.61 121.76 119.82 1qjo s ALA 51 Ca 0.17 -1.82 -0.08 0.00 0.00 0.00 0.00 51.96 50.23 1qjo s ALA 51 Cb -0.05 -3.77 0.03 0.00 0.00 0.00 0.00 23.12 19.34 1qjo s ALA 51 CO 0.12 -2.62 0.59 0.41 0.00 0.00 0.00 175.76 174.26 1qjo n GLY 52 N 5.29 1.59 4.00 0.00 0.00 0.14 -4.75 105.19 111.46 1qjo n GLY 52 Ca -0.04 -1.40 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 1qjo n GLY 52 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qjo s VAL 53 N -2.47 2.82 -0.24 1.61 -7.23 0.27 0.23 120.40 115.39 1qjo s VAL 53 Ca 0.20 -1.03 -0.16 0.00 -1.81 0.00 0.00 61.98 59.18 1qjo s VAL 53 Cb -0.03 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 1qjo s VAL 53 CO 0.15 0.00 0.43 -0.69 -0.31 0.00 0.00 175.10 174.68 1qjo s VAL 54 N -2.42 5.15 -0.13 1.32 1.01 -0.94 -0.06 120.40 124.33 1qjo s VAL 54 Ca 0.55 0.73 -0.08 0.00 0.00 0.00 0.00 61.98 63.18 1qjo s VAL 54 Cb -0.09 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1qjo s VAL 54 CO 0.34 0.17 -0.04 0.50 0.00 0.00 0.00 175.10 176.07 1qjo h LYS 55 N 7.82 0.00 -1.69 2.72 1.63 -0.84 -0.67 116.57 125.55 1qjo h LYS 55 Ca -0.32 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.54 1qjo h LYS 55 Cb 1.16 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 32.57 1qjo h LYS 55 CO 0.69 0.13 0.48 -2.00 -3.45 0.00 0.00 179.45 175.31 1qjo s GLU 56 N -2.01 0.69 0.37 1.90 2.56 -1.07 -4.65 118.70 116.49 1qjo s GLU 56 Ca -0.11 0.13 0.04 0.00 0.00 0.00 0.00 54.97 55.03 1qjo s GLU 56 Cb 0.01 0.32 -0.01 0.00 2.00 0.00 0.00 34.13 36.45 1qjo s GLU 56 CO 0.20 -0.22 0.14 1.47 -0.56 0.00 0.00 175.26 176.28 1qjo n LEU 57 N 0.68 0.00 -1.59 2.70 -0.00 -1.26 -0.69 117.00 116.84 1qjo n LEU 57 Ca -0.12 -2.83 -0.02 0.00 -0.00 0.00 0.00 56.01 53.05 1qjo n LEU 57 Cb 0.58 0.95 0.00 0.00 -0.00 0.00 0.00 43.42 44.95 1qjo n LEU 57 CO 0.17 -0.44 0.24 0.29 -0.00 0.00 0.00 177.39 177.65 1qjo n LYS 58 N -0.82 0.36 -4.34 1.47 4.01 -1.26 -5.01 118.16 112.57 1qjo n LYS 58 Ca -0.05 -1.66 -0.21 0.00 -0.51 0.00 0.00 58.31 55.88 1qjo n LYS 58 Cb 0.55 0.08 -0.11 0.00 -0.51 0.00 0.00 35.03 35.04 1qjo n LYS 58 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1qjo s VAL 59 N -0.40 1.82 0.42 -0.18 -7.23 -1.26 -5.12 120.40 108.44 1qjo s VAL 59 Ca 0.16 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1qjo s VAL 59 Cb 0.23 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1qjo s VAL 59 CO -0.08 -0.37 0.09 0.20 -0.31 0.00 0.00 175.10 174.62 1qjo s ASN 60 N -2.82 3.04 -0.52 4.85 0.01 -1.26 -5.05 114.94 113.18 1qjo s ASN 60 Ca 0.17 -1.62 -0.20 0.00 -0.71 0.00 0.00 52.86 50.51 1qjo s ASN 60 Cb -0.05 0.40 0.06 0.00 0.41 0.00 0.00 41.25 42.07 1qjo s ASN 60 CO 0.07 -0.85 0.69 -0.69 -1.51 0.00 0.00 177.10 174.80 1qjo s VAL 61 N -3.14 4.78 0.00 1.60 1.01 -1.26 -2.26 120.40 121.13 1qjo s VAL 61 Ca 0.22 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1qjo s VAL 61 Cb 0.03 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1qjo s VAL 61 CO 0.12 -0.89 0.00 0.61 0.00 0.00 0.00 175.10 174.94 1qjo n GLY 62 N 5.17 1.98 3.66 4.51 0.00 0.19 -4.94 105.19 115.77 1qjo n GLY 62 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1qjo n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qjo s ASP 63 N -2.00 4.44 0.01 1.61 -1.08 -0.96 -4.87 116.67 113.83 1qjo s ASP 63 Ca 0.00 -0.81 0.06 0.00 -0.52 0.00 0.00 52.55 51.28 1qjo s ASP 63 Cb 0.00 -0.69 -0.03 0.00 -1.46 0.00 0.00 42.92 40.74 1qjo s ASP 63 CO 0.00 -0.17 -0.17 -1.59 0.52 0.00 0.00 175.17 173.76 1qjo s LYS 64 N -3.74 2.24 0.32 4.34 0.00 -1.26 -0.26 119.74 121.38 1qjo s LYS 64 Ca 0.35 -0.88 0.03 0.00 0.00 0.00 0.00 55.97 55.47 1qjo s LYS 64 Cb -0.03 -2.26 -0.05 0.00 0.00 0.00 0.00 37.83 35.49 1qjo s LYS 64 CO 0.20 0.57 0.09 0.14 0.00 0.00 0.00 175.35 176.35 1qjo s VAL 65 N -0.85 0.88 -0.10 1.79 -7.23 0.84 -4.96 120.40 110.77 1qjo s VAL 65 Ca 0.14 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1qjo s VAL 65 Cb -0.11 -2.66 0.10 0.00 0.56 0.00 0.00 36.38 34.28 1qjo s VAL 65 CO 0.04 0.00 0.87 -0.75 -0.31 0.00 0.00 175.10 174.95 1qjo s LYS 66 N -3.90 0.79 -0.45 4.82 2.36 -1.26 -2.55 119.74 119.55 1qjo s LYS 66 Ca 0.35 0.12 -0.44 0.00 -2.55 0.00 0.00 55.97 53.44 1qjo s LYS 66 Cb 0.07 0.37 -0.18 0.00 -1.05 0.00 0.00 37.83 37.04 1qjo s LYS 66 CO 0.15 -0.26 1.82 -2.37 1.55 0.00 0.00 175.35 176.24 1qjo n THR 67 N 0.66 0.06 0.00 3.43 5.66 -1.15 -0.69 114.28 122.26 1qjo n THR 67 Ca -0.13 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1qjo n THR 67 Cb 0.58 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 1qjo n THR 67 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1qjo n GLY 68 N 5.24 2.00 3.38 1.09 0.00 0.51 -4.95 105.19 112.47 1qjo n GLY 68 Ca 0.38 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 1qjo n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qjo n SER 69 N 0.00 -2.22 -3.74 1.61 2.88 0.14 -4.49 113.62 107.80 1qjo n SER 69 Ca 0.00 0.23 -0.42 0.00 -1.33 0.00 0.00 58.87 57.36 1qjo n SER 69 Cb 0.00 -1.15 0.01 0.00 -0.75 0.00 0.00 64.21 62.32 1qjo n SER 69 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1qjo n LEU 70 N -1.31 7.15 -0.19 2.46 7.94 -1.26 -2.26 117.00 129.53 1qjo n LEU 70 Ca 0.05 -5.15 0.04 0.00 -1.11 0.00 0.00 56.01 49.84 1qjo n LEU 70 Cb 0.55 -1.27 0.09 0.00 0.53 0.00 0.00 43.42 43.32 1qjo n LEU 70 CO 0.51 1.87 0.36 -0.38 -1.11 0.00 0.00 177.39 178.64 1qjo n ILE 71 N 1.10 -0.22 -0.23 1.96 2.08 0.18 -4.82 119.36 119.41 1qjo n ILE 71 Ca 0.43 1.20 0.00 0.00 0.56 0.00 0.00 62.75 64.94 1qjo n ILE 71 Cb 0.29 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.50 1qjo n ILE 71 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 1qjo n MET 72 N -4.80 -2.93 -4.36 0.38 0.00 -1.15 -4.26 117.12 100.00 1qjo n MET 72 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.45 1qjo n MET 72 Cb 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.41 1qjo n MET 72 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1qjo s ILE 73 N -2.07 4.12 0.39 3.17 -4.36 0.13 0.70 121.20 123.28 1qjo s ILE 73 Ca 0.00 -0.29 0.08 0.00 -0.26 0.00 0.00 60.65 60.17 1qjo s ILE 73 Cb 0.00 -2.78 -0.00 0.00 1.25 0.00 0.00 42.46 40.92 1qjo s ILE 73 CO 0.00 0.53 0.48 -0.36 0.24 0.00 0.00 174.94 175.83 1qjo s PHE 74 N -0.09 2.88 -0.29 1.37 0.40 0.19 -0.20 117.98 122.23 1qjo s PHE 74 Ca 0.03 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1qjo s PHE 74 Cb -0.13 -2.19 0.13 0.00 0.51 0.00 0.00 43.02 41.35 1qjo s PHE 74 CO 0.02 -0.20 0.29 -2.00 0.70 0.00 0.00 175.22 174.03 1qjo s GLU 75 N -4.23 0.33 0.00 0.44 2.12 0.92 0.98 118.70 119.26 1qjo s GLU 75 Ca 0.50 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1qjo s GLU 75 Cb -0.08 -0.70 0.00 0.00 0.26 0.00 0.00 34.13 33.61 1qjo s GLU 75 CO 0.31 -1.04 0.35 1.33 -0.54 0.00 0.00 175.26 175.67 1qjo n VAL 76 N 5.24 0.00 -4.27 3.70 0.24 -1.26 -0.56 118.33 121.41 1qjo n VAL 76 Ca -0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 1qjo n VAL 76 Cb 0.46 -1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 31.72 1qjo n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1qjo n GLU 77 N 2.56 1.26 0.04 7.34 -0.58 -1.26 -4.92 120.64 125.07 1qjo n GLU 77 Ca 0.00 -1.48 0.00 0.00 -0.42 0.00 0.00 57.16 55.26 1qjo n GLU 77 Cb 0.00 0.53 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 1qjo n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qjo n GLY 78 N 2.02 -0.18 0.00 0.62 0.00 -1.26 -4.39 105.19 101.99 1qjo n GLY 78 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1qjo n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjo n ALA 79 N -2.74 0.00 0.00 4.61 0.00 -1.26 -5.09 120.51 116.03 1qjo n ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qjo n ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50