#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjo n VAL 2 N 0.00 0.00 -4.18 1.12 3.14 -1.26 -4.38 118.33 112.77 1qjo n VAL 2 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 1qjo n VAL 2 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 1qjo n VAL 2 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1qjo s LYS 3 N 0.00 0.99 -0.07 1.45 -0.14 0.31 -4.93 119.74 117.34 1qjo s LYS 3 Ca 0.00 -1.48 -0.05 0.00 -1.36 0.00 0.00 55.97 53.08 1qjo s LYS 3 Cb 0.00 0.07 -0.04 0.00 -1.68 0.00 0.00 37.83 36.18 1qjo s LYS 3 CO 0.00 -0.22 0.16 -1.21 -0.76 0.00 0.00 175.35 173.32 1qjo s GLU 4 N -4.00 3.45 -0.38 1.68 8.01 -1.26 -1.14 118.70 125.05 1qjo s GLU 4 Ca 0.24 -0.19 0.03 0.00 0.01 0.00 0.00 54.97 55.06 1qjo s GLU 4 Cb 0.07 -3.15 0.11 0.00 -4.31 0.00 0.00 34.13 26.84 1qjo s GLU 4 CO 0.03 0.74 0.11 0.08 0.01 0.00 0.00 175.26 176.22 1qjo s VAL 5 N -1.15 2.51 0.49 2.63 1.01 0.18 -4.73 120.40 121.34 1qjo s VAL 5 Ca 0.20 -2.45 0.06 0.00 0.00 0.00 0.00 61.98 59.79 1qjo s VAL 5 Cb -0.12 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1qjo s VAL 5 CO 0.10 -0.65 0.32 0.54 0.00 0.00 0.00 175.10 175.41 1qjo s ASN 6 N 0.87 4.63 -0.15 3.32 2.20 -1.26 0.19 114.94 124.74 1qjo s ASN 6 Ca 0.12 -1.14 -0.04 0.00 -0.94 0.00 0.00 52.86 50.86 1qjo s ASN 6 Cb -0.21 0.02 -0.03 0.00 -2.00 0.00 0.00 41.25 39.04 1qjo s ASN 6 CO -0.06 -0.87 -0.03 -0.69 -2.94 0.00 0.00 177.10 172.50 1qjo s VAL 7 N -2.68 3.94 0.00 3.54 1.01 -1.02 -4.68 120.40 120.51 1qjo s VAL 7 Ca 0.37 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1qjo s VAL 7 Cb -0.01 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1qjo s VAL 7 CO 0.22 0.50 0.00 -2.65 0.00 0.00 0.00 175.10 173.16 1qjo n PRO 8 N 3.47 -1.30 0.00 2.72 -0.02 -1.26 -0.40 135.00 138.22 1qjo n PRO 8 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1qjo n PRO 8 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1qjo n PRO 8 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1qjo n ASP 9 N -2.46 0.00 -3.99 2.55 5.75 -1.26 -3.30 116.55 113.84 1qjo n ASP 9 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.39 1qjo n ASP 9 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 1qjo n ASP 9 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1qjo n ILE 10 N -0.21 2.40 0.00 2.12 -0.00 -1.26 -4.48 119.36 117.93 1qjo n ILE 10 Ca 0.00 -2.25 0.00 0.00 -0.00 0.00 0.00 62.75 60.50 1qjo n ILE 10 Cb 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 39.64 37.30 1qjo n ILE 10 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1qjo n GLY 11 N 4.86 2.53 0.09 7.39 0.00 -1.26 -3.20 105.19 115.60 1qjo n GLY 11 Ca 0.49 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1qjo n GLY 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qjo h GLY 12 N 0.00 0.16 0.00 -0.02 0.00 -1.99 -3.32 103.07 97.90 1qjo h GLY 12 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1qjo h GLY 12 CO 0.00 0.15 0.00 1.22 0.00 0.00 0.00 176.54 177.91 1qjo n ASP 13 N -4.72 0.00 -3.82 0.19 9.92 -1.26 -5.02 116.55 111.84 1qjo n ASP 13 Ca -0.08 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.11 1qjo n ASP 13 Cb 0.31 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.77 1qjo n ASP 13 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1qjo s GLU 14 N 0.11 1.70 0.23 -1.24 -1.05 -1.26 -4.95 118.70 112.23 1qjo s GLU 14 Ca 0.00 -0.92 -0.19 0.00 -0.15 0.00 0.00 54.97 53.70 1qjo s GLU 14 Cb 0.00 0.59 0.03 0.00 -0.44 0.00 0.00 34.13 34.31 1qjo s GLU 14 CO 0.00 -0.78 0.61 0.14 0.95 0.00 0.00 175.26 176.18 1qjo s VAL 15 N -3.84 0.01 0.40 1.83 -7.23 -0.84 -4.97 120.40 105.76 1qjo s VAL 15 Ca 0.11 -0.82 0.07 0.00 -1.81 0.00 0.00 61.98 59.53 1qjo s VAL 15 Cb -0.05 -1.73 -0.06 0.00 0.56 0.00 0.00 36.38 35.10 1qjo s VAL 15 CO 0.05 -0.04 0.08 -1.83 -0.31 0.00 0.00 175.10 173.06 1qjo s GLU 16 N -3.89 2.09 -0.27 4.82 -1.05 -0.49 -0.07 118.70 119.83 1qjo s GLU 16 Ca 0.10 -1.95 -0.09 0.00 -0.15 0.00 0.00 54.97 52.89 1qjo s GLU 16 Cb -0.03 -1.83 -0.03 0.00 -0.44 0.00 0.00 34.13 31.81 1qjo s GLU 16 CO 0.01 -0.05 0.12 0.08 0.95 0.00 0.00 175.26 176.37 1qjo s VAL 17 N -2.64 4.65 -0.21 1.83 1.01 0.82 -0.57 120.40 125.29 1qjo s VAL 17 Ca 0.38 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.31 1qjo s VAL 17 Cb 0.06 -3.23 -0.22 0.00 0.00 0.00 0.00 36.38 32.99 1qjo s VAL 17 CO 0.20 0.25 0.02 1.07 0.00 0.00 0.00 175.10 176.64 1qjo n THR 18 N 4.97 1.48 -3.71 3.92 5.66 0.16 0.39 114.28 127.16 1qjo n THR 18 Ca -0.15 -0.72 -0.28 0.00 -3.05 0.00 0.00 64.05 59.84 1qjo n THR 18 Cb 0.51 -0.99 -0.16 0.00 -1.55 0.00 0.00 70.33 68.14 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 -2.52 0.60 -0.93 1.09 2.02 -1.08 -4.89 118.70 112.99 1qjo s GLU 19 Ca -0.21 -0.64 -0.19 0.00 0.02 0.00 0.00 54.97 53.96 1qjo s GLU 19 Cb 0.07 -1.94 0.13 0.00 0.10 0.00 0.00 34.13 32.50 1qjo s GLU 19 CO 0.73 -0.80 1.13 0.54 0.02 0.00 0.00 175.26 176.88 1qjo s VAL 20 N 1.82 4.72 0.08 2.63 0.11 -1.26 -0.94 120.40 127.56 1qjo s VAL 20 Ca 0.04 -1.58 -0.29 0.00 -2.93 0.00 0.00 61.98 57.22 1qjo s VAL 20 Cb -0.17 -4.78 -0.17 0.00 -1.53 0.00 0.00 36.38 29.72 1qjo s VAL 20 CO -0.18 -1.51 1.67 0.24 -3.33 0.00 0.00 175.10 171.99 1qjo h MET 21 N 8.83 -0.57 -7.09 1.54 0.00 -1.73 -3.46 114.93 112.45 1qjo h MET 21 Ca 0.16 0.04 -0.52 0.00 0.00 0.00 0.00 59.70 59.38 1qjo h MET 21 Cb 1.02 0.13 0.10 0.00 0.00 0.00 0.00 31.60 32.85 1qjo h MET 21 CO 1.11 -0.38 0.46 0.14 0.00 0.00 0.00 176.91 178.24 1qjo s VAL 22 N -6.10 2.78 0.31 -2.22 -7.23 -0.84 -5.05 120.40 102.05 1qjo s VAL 22 Ca -0.16 0.49 0.03 0.00 -1.81 0.00 0.00 61.98 60.53 1qjo s VAL 22 Cb 0.04 -3.20 -0.05 0.00 0.56 0.00 0.00 36.38 33.73 1qjo s VAL 22 CO 0.63 -0.10 0.10 -0.54 -0.31 0.00 0.00 175.10 174.88 1qjo s LYS 23 N -3.28 1.60 -0.74 4.82 -0.14 -1.26 -5.09 119.74 115.65 1qjo s LYS 23 Ca 0.76 -1.90 -0.26 0.00 -1.36 0.00 0.00 55.97 53.20 1qjo s LYS 23 Cb -0.29 -0.51 0.01 0.00 -1.68 0.00 0.00 37.83 35.36 1qjo s LYS 23 CO 0.32 -0.31 1.55 0.08 -0.76 0.00 0.00 175.35 176.23 1qjo s VAL 24 N -3.49 3.60 0.00 3.17 1.01 -1.26 -2.96 120.40 120.46 1qjo s VAL 24 Ca 0.35 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1qjo s VAL 24 Cb 0.07 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1qjo s VAL 24 CO 0.15 -1.48 0.00 0.61 0.00 0.00 0.00 175.10 174.38 1qjo n GLY 25 N 5.76 1.61 3.81 4.51 0.00 -0.04 -5.01 105.19 115.83 1qjo n GLY 25 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1qjo n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qjo s ASP 26 N -2.00 6.57 -0.40 1.61 1.11 -1.16 -4.78 116.67 117.63 1qjo s ASP 26 Ca 0.00 0.68 -0.29 0.00 0.18 0.00 0.00 52.55 53.12 1qjo s ASP 26 Cb 0.00 -2.18 0.01 0.00 1.07 0.00 0.00 42.92 41.82 1qjo s ASP 26 CO 0.00 0.27 1.31 -0.54 1.18 0.00 0.00 175.17 177.40 1qjo s LYS 27 N -0.55 3.71 -0.34 8.23 1.02 -1.26 -0.86 119.74 129.69 1qjo s LYS 27 Ca 0.19 0.94 -0.05 0.00 0.02 0.00 0.00 55.97 57.07 1qjo s LYS 27 Cb -0.14 -3.95 0.05 0.00 -0.52 0.00 0.00 37.83 33.27 1qjo s LYS 27 CO 0.08 -1.39 0.10 0.08 -0.92 0.00 0.00 175.35 173.29 1qjo s VAL 28 N 4.89 3.53 0.24 3.17 1.01 0.27 -4.96 120.40 128.56 1qjo s VAL 28 Ca 0.57 -1.34 0.11 0.00 0.00 0.00 0.00 61.98 61.31 1qjo s VAL 28 Cb -0.13 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1qjo s VAL 28 CO 0.29 -0.25 -0.20 0.00 0.00 0.00 0.00 175.10 174.95 1qjo s ALA 29 N 1.33 2.53 0.96 5.51 0.00 -1.26 0.15 121.76 130.98 1qjo s ALA 29 Ca -0.01 -1.77 -0.18 0.00 0.00 0.00 0.00 51.96 50.00 1qjo s ALA 29 Cb -0.20 -0.24 -0.15 0.00 0.00 0.00 0.00 23.12 22.53 1qjo s ALA 29 CO 0.01 0.27 -0.89 0.00 0.00 0.00 0.00 175.76 175.14 1qjo n ALA 30 N -0.35 -5.44 0.00 0.00 0.00 -1.24 -2.28 120.51 111.20 1qjo n ALA 30 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1qjo n ALA 30 Cb 0.59 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1qjo n ALA 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qjo n GLU 31 N 2.40 0.00 -1.55 0.00 2.13 -1.26 -4.76 120.64 117.61 1qjo n GLU 31 Ca -0.02 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.54 1qjo n GLU 31 Cb 0.57 -0.16 -0.06 0.00 0.27 0.00 0.00 31.44 32.05 1qjo n GLU 31 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1qjo n GLN 32 N 0.00 0.72 -0.82 5.31 7.27 -0.97 -4.58 117.38 124.31 1qjo n GLN 32 Ca 0.00 -0.37 -0.01 0.00 0.07 0.00 0.00 57.00 56.69 1qjo n GLN 32 Cb 0.00 -3.33 -0.00 0.00 2.41 0.00 0.00 30.24 29.32 1qjo n GLN 32 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1qjo n SER 33 N 16.35 -0.64 0.00 1.69 7.64 -1.26 -1.35 113.62 136.05 1qjo n SER 33 Ca 0.45 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1qjo n SER 33 Cb 0.45 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1qjo n SER 33 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qjo n LEU 34 N 3.31 0.00 -3.72 -3.43 7.99 0.32 -4.59 117.00 116.88 1qjo n LEU 34 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.87 1qjo n LEU 34 Cb 0.17 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.40 1qjo n LEU 34 CO 0.19 0.00 0.09 0.27 -1.51 0.00 0.00 177.39 176.44 1qjo s ILE 35 N -3.21 0.04 -0.14 -0.08 -4.36 -1.05 -1.99 121.20 110.42 1qjo s ILE 35 Ca 0.00 -0.37 -0.04 0.00 -0.26 0.00 0.00 60.65 59.98 1qjo s ILE 35 Cb 0.00 -0.67 -0.03 0.00 1.25 0.00 0.00 42.46 43.01 1qjo s ILE 35 CO 0.00 -0.20 0.01 -0.89 0.24 0.00 0.00 174.94 174.09 1qjo s THR 36 N -1.21 4.30 0.05 8.37 2.01 -0.11 -1.17 115.64 127.88 1qjo s THR 36 Ca -0.12 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 61.70 1qjo s THR 36 Cb -0.04 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1qjo s THR 36 CO 0.05 0.53 -0.09 0.68 -0.69 0.00 0.00 174.62 175.09 1qjo s VAL 37 N -0.09 3.43 0.00 3.82 -7.23 0.19 -0.66 120.40 119.85 1qjo s VAL 37 Ca 0.04 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 1qjo s VAL 37 Cb -0.13 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1qjo s VAL 37 CO 0.02 0.27 0.00 -0.62 -0.31 0.00 0.00 175.10 174.46 1qjo n GLU 38 N 1.21 0.72 0.00 4.82 1.02 0.26 -1.09 120.64 127.58 1qjo n GLU 38 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1qjo n GLU 38 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1qjo n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qjo n GLY 39 N 0.90 2.69 0.47 0.62 0.00 -1.26 -1.40 105.19 107.20 1qjo n GLY 39 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.54 1qjo n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjo n ASP 40 N 0.00 0.25 -1.70 1.61 9.92 -1.26 -4.97 116.55 120.40 1qjo n ASP 40 Ca 0.00 -1.18 -0.01 0.00 -0.53 0.00 0.00 54.79 53.07 1qjo n ASP 40 Cb 0.00 -0.05 -0.01 0.00 -0.64 0.00 0.00 41.12 40.42 1qjo n ASP 40 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1qjo n LYS 41 N -1.16 0.75 -3.19 -1.24 2.85 -1.26 -4.53 118.16 110.38 1qjo n LYS 41 Ca 0.02 -0.06 0.01 0.00 -1.05 0.00 0.00 58.31 57.23 1qjo n LYS 41 Cb 0.07 -1.21 -0.02 0.00 -0.65 0.00 0.00 35.03 33.22 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qjo s ALA 42 N 0.71 -2.07 0.33 0.58 0.00 -1.26 -5.16 121.76 114.90 1qjo s ALA 42 Ca 0.04 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.87 1qjo s ALA 42 Cb 0.02 -2.30 -0.09 0.00 0.00 0.00 0.00 23.12 20.75 1qjo s ALA 42 CO 0.00 -1.63 1.09 -1.54 0.00 0.00 0.00 175.76 173.68 1qjo s SER 43 N 2.77 7.00 0.02 0.00 1.04 -1.26 -4.77 113.70 118.50 1qjo s SER 43 Ca 0.13 2.20 0.01 0.00 0.48 0.00 0.00 55.95 58.77 1qjo s SER 43 Cb -0.12 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.37 1qjo s SER 43 CO -0.24 -0.33 -0.05 -0.04 0.98 0.00 0.00 173.24 173.56 1qjo s MET 44 N -1.91 0.36 0.27 4.02 -1.94 -0.25 -5.05 119.30 114.81 1qjo s MET 44 Ca 0.50 -0.48 0.12 0.00 -1.71 0.00 0.00 55.69 54.12 1qjo s MET 44 Cb -0.28 -0.15 -0.05 0.00 2.01 0.00 0.00 34.83 36.35 1qjo s MET 44 CO 0.36 0.03 -0.17 -1.21 -0.01 0.00 0.00 175.02 174.02 1qjo s GLU 45 N -1.01 1.78 -0.09 2.03 8.01 -1.26 0.56 118.70 128.71 1qjo s GLU 45 Ca -0.08 -1.69 0.01 0.00 0.01 0.00 0.00 54.97 53.22 1qjo s GLU 45 Cb -0.07 -1.84 0.02 0.00 -4.31 0.00 0.00 34.13 27.93 1qjo s GLU 45 CO -0.00 0.34 -0.10 0.08 0.01 0.00 0.00 175.26 175.59 1qjo s VAL 46 N -2.42 1.05 0.62 2.63 1.01 -0.31 -4.89 120.40 118.08 1qjo s VAL 46 Ca 0.30 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 1qjo s VAL 46 Cb -0.05 -1.02 0.07 0.00 0.00 0.00 0.00 36.38 35.37 1qjo s VAL 46 CO 0.16 0.36 0.87 -2.16 0.00 0.00 0.00 175.10 174.32 1qjo s PRO 47 N 1.21 2.24 -0.65 2.72 0.04 -1.26 0.12 135.00 139.41 1qjo s PRO 47 Ca -0.04 -0.84 -0.28 0.00 0.04 0.00 0.00 61.00 59.88 1qjo s PRO 47 Cb -0.14 -2.41 -0.12 0.00 0.04 0.00 0.00 34.50 31.87 1qjo s PRO 47 CO -0.03 -1.00 2.50 0.00 0.04 0.00 0.00 177.00 178.51 1qjo n ALA 48 N -2.56 0.65 -0.56 8.56 0.00 -0.45 -4.45 120.51 121.70 1qjo n ALA 48 Ca 0.10 -0.69 0.46 0.00 0.00 0.00 0.00 53.44 53.31 1qjo n ALA 48 Cb 0.60 -2.88 0.77 0.00 0.00 0.00 0.00 19.45 17.94 1qjo n ALA 48 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qjo h PRO 49 N 16.86 0.02 0.00 0.00 0.13 -1.92 -3.35 132.00 143.74 1qjo h PRO 49 Ca -0.18 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 1qjo h PRO 49 Cb 1.28 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1qjo h PRO 49 CO 1.23 0.01 0.13 1.97 -0.23 0.00 0.00 178.00 181.11 1qjo n PHE 50 N -4.16 -1.66 -4.15 1.56 -1.74 -1.26 -4.98 117.46 101.07 1qjo n PHE 50 Ca 0.39 -0.89 -0.22 0.00 -0.56 0.00 0.00 57.45 56.17 1qjo n PHE 50 Cb 1.71 0.44 -0.05 0.00 1.52 0.00 0.00 39.48 43.10 1qjo n PHE 50 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1qjo s ALA 51 N -1.51 3.50 0.00 1.98 0.00 -1.26 -3.63 121.76 120.84 1qjo s ALA 51 Ca 0.08 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1qjo s ALA 51 Cb -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1qjo s ALA 51 CO 0.06 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.49 1qjo n GLY 52 N -1.10 0.58 3.37 0.00 0.00 0.12 -4.44 105.19 103.72 1qjo n GLY 52 Ca -0.08 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.29 1qjo n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qjo s VAL 53 N -3.82 1.67 -0.32 1.61 1.01 -0.12 0.95 120.40 121.38 1qjo s VAL 53 Ca 0.00 -2.17 -0.24 0.00 0.00 0.00 0.00 61.98 59.57 1qjo s VAL 53 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1qjo s VAL 53 CO 0.00 -0.48 0.82 -0.69 0.00 0.00 0.00 175.10 174.76 1qjo s VAL 54 N -3.01 4.75 -0.03 2.92 1.01 -0.04 -0.97 120.40 125.03 1qjo s VAL 54 Ca 0.25 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.41 1qjo s VAL 54 Cb 0.01 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1qjo s VAL 54 CO 0.09 -0.31 -0.04 1.17 0.00 0.00 0.00 175.10 176.01 1qjo n LYS 55 N 6.32 0.10 -3.92 2.72 4.81 -0.20 -0.86 118.16 127.13 1qjo n LYS 55 Ca 0.05 0.30 -0.10 0.00 -0.87 0.00 0.00 58.31 57.68 1qjo n LYS 55 Cb 0.48 -0.94 -0.10 0.00 0.02 0.00 0.00 35.03 34.49 1qjo n LYS 55 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1qjo s GLU 56 N -1.27 0.50 -0.03 1.64 2.12 -0.49 -4.65 118.70 116.52 1qjo s GLU 56 Ca -0.03 -0.59 -0.09 0.00 0.36 0.00 0.00 54.97 54.62 1qjo s GLU 56 Cb 0.00 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.60 1qjo s GLU 56 CO 0.05 -0.12 0.19 -0.48 -0.54 0.00 0.00 175.26 174.37 1qjo s LEU 57 N -1.72 1.30 -0.40 2.70 2.34 -1.26 -0.39 118.68 121.25 1qjo s LEU 57 Ca -0.11 0.08 0.05 0.00 0.06 0.00 0.00 54.13 54.22 1qjo s LEU 57 Cb -0.05 0.79 0.43 0.00 -0.56 0.00 0.00 46.19 46.80 1qjo s LEU 57 CO -0.02 -0.27 1.18 0.29 -1.06 0.00 0.00 176.35 176.47 1qjo n LYS 58 N 1.99 3.47 -4.15 1.48 4.76 -1.25 -5.03 118.16 119.43 1qjo n LYS 58 Ca -0.19 -4.34 -0.15 0.00 -2.87 0.00 0.00 58.31 50.76 1qjo n LYS 58 Cb 0.57 -2.26 -0.11 0.00 -1.84 0.00 0.00 35.03 31.38 1qjo n LYS 58 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1qjo s VAL 59 N -5.17 0.91 0.35 -0.18 0.11 -1.26 -5.08 120.40 110.07 1qjo s VAL 59 Ca 0.49 -1.39 0.05 0.00 -2.93 0.00 0.00 61.98 58.21 1qjo s VAL 59 Cb 0.41 -1.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1qjo s VAL 59 CO -0.11 -0.39 0.18 0.59 -3.33 0.00 0.00 175.10 172.04 1qjo n ASN 60 N 1.03 0.53 -4.56 3.54 3.02 -1.26 -5.06 115.26 112.50 1qjo n ASN 60 Ca -0.20 -2.98 -0.43 0.00 -0.03 0.00 0.00 54.58 50.95 1qjo n ASN 60 Cb 0.56 1.15 -0.05 0.00 -0.61 0.00 0.00 39.78 40.82 1qjo n ASN 60 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qjo s VAL 61 N -3.05 4.69 0.00 2.41 1.01 -1.26 -2.54 120.40 121.66 1qjo s VAL 61 Ca 0.25 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1qjo s VAL 61 Cb 0.01 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1qjo s VAL 61 CO 0.18 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.31 1qjo n GLY 62 N 4.76 1.64 3.67 4.51 0.00 0.16 -4.96 105.19 114.97 1qjo n GLY 62 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1qjo n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qjo s ASP 63 N -1.13 2.58 0.01 1.61 1.01 -1.05 -4.44 116.67 115.25 1qjo s ASP 63 Ca 0.00 1.25 0.02 0.00 0.71 0.00 0.00 52.55 54.53 1qjo s ASP 63 Cb 0.00 -1.93 -0.04 0.00 1.01 0.00 0.00 42.92 41.97 1qjo s ASP 63 CO 0.00 -3.17 0.01 -1.59 0.21 0.00 0.00 175.17 170.63 1qjo s LYS 64 N -4.92 2.79 0.43 8.23 0.00 -1.26 -0.13 119.74 124.87 1qjo s LYS 64 Ca 0.65 -0.62 0.03 0.00 0.00 0.00 0.00 55.97 56.04 1qjo s LYS 64 Cb -0.19 -2.67 -0.03 0.00 0.00 0.00 0.00 37.83 34.94 1qjo s LYS 64 CO 0.58 0.62 0.08 0.08 0.00 0.00 0.00 175.35 176.71 1qjo s VAL 65 N -1.11 0.86 0.00 1.79 1.01 0.90 -4.96 120.40 118.89 1qjo s VAL 65 Ca 0.20 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1qjo s VAL 65 Cb -0.12 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1qjo s VAL 65 CO 0.11 0.00 0.00 1.17 0.00 0.00 0.00 175.10 176.38 1qjo n LYS 66 N -0.98 0.00 -1.68 2.72 4.81 -1.26 -1.98 118.16 119.79 1qjo n LYS 66 Ca -0.09 0.00 -0.66 0.00 -0.87 0.00 0.00 58.31 56.69 1qjo n LYS 66 Cb 0.66 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.61 1qjo n LYS 66 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1qjo n THR 67 N -0.69 0.00 0.00 3.15 5.66 -1.20 -1.71 114.28 119.49 1qjo n THR 67 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1qjo n THR 67 Cb 0.00 -0.49 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 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 4.07 1.72 3.68 1.09 0.00 0.47 -4.94 105.19 111.28 1qjo n GLY 68 Ca 0.31 -0.27 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 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 0.08 3.45 -3.60 1.61 2.88 -0.70 -4.60 113.62 112.74 1qjo n SER 69 Ca 0.00 1.06 -0.41 0.00 -1.33 0.00 0.00 58.87 58.19 1qjo n SER 69 Cb 0.00 -1.47 -0.00 0.00 -0.75 0.00 0.00 64.21 61.98 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 4.07 7.60 -0.08 2.46 0.00 -1.26 -2.44 117.00 127.35 1qjo n LEU 70 Ca 0.17 -4.67 -0.01 0.00 0.00 0.00 0.00 56.01 51.50 1qjo n LEU 70 Cb 0.31 -1.45 -0.00 0.00 0.00 0.00 0.00 43.42 42.28 1qjo n LEU 70 CO 0.65 1.76 0.12 -0.38 0.00 0.00 0.00 177.39 179.53 1qjo n ILE 71 N 2.81 -0.12 -3.37 1.96 2.08 0.13 -4.74 119.36 118.10 1qjo n ILE 71 Ca 0.56 0.51 -0.03 0.00 0.56 0.00 0.00 62.75 64.35 1qjo n ILE 71 Cb 0.29 -0.65 0.01 0.00 -0.75 0.00 0.00 39.64 38.54 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 -4.30 0.45 -4.43 0.38 0.00 -1.11 -3.94 117.12 104.18 1qjo n MET 72 Ca 0.02 -0.89 -0.33 0.00 0.00 0.00 0.00 57.70 56.49 1qjo n MET 72 Cb 0.07 1.13 -0.15 0.00 0.00 0.00 0.00 33.22 34.27 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 -2.58 2.53 0.34 3.17 -4.36 0.48 0.50 121.20 121.28 1qjo s ILE 73 Ca 0.07 -0.81 0.08 0.00 -0.26 0.00 0.00 60.65 59.74 1qjo s ILE 73 Cb -0.02 -2.07 -0.05 0.00 1.25 0.00 0.00 42.46 41.58 1qjo s ILE 73 CO 0.05 0.52 0.10 -0.36 0.24 0.00 0.00 174.94 175.49 1qjo s PHE 74 N 0.95 2.66 -0.06 1.37 0.08 -0.30 -1.03 117.98 121.64 1qjo s PHE 74 Ca -0.03 -0.41 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 1qjo s PHE 74 Cb -0.15 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.73 1qjo s PHE 74 CO -0.03 0.37 0.12 -2.00 -0.10 0.00 0.00 175.22 173.59 1qjo s GLU 75 N -3.81 0.01 -0.84 0.44 2.12 -0.15 0.11 118.70 116.59 1qjo s GLU 75 Ca 0.37 0.45 -0.22 0.00 0.36 0.00 0.00 54.97 55.93 1qjo s GLU 75 Cb -0.01 -0.31 -0.19 0.00 0.26 0.00 0.00 34.13 33.88 1qjo s GLU 75 CO 0.22 -0.28 2.21 1.33 -0.54 0.00 0.00 175.26 178.21 1qjo n VAL 76 N 5.02 0.00 0.00 3.70 0.24 -1.26 -0.94 118.33 125.08 1qjo n VAL 76 Ca -0.10 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1qjo n VAL 76 Cb 0.50 -1.53 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 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 7.83 0.00 0.00 7.34 -0.58 -1.26 -4.59 120.64 129.38 1qjo n GLU 77 Ca 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1qjo n GLU 77 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 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 0.00 1.98 1.04 0.62 0.00 -1.26 -4.65 105.19 102.91 1qjo n GLY 78 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 1.80 0.00 4.61 0.00 -1.26 -4.92 120.51 120.73 1qjo n ALA 79 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1qjo n ALA 79 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50