#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 -4.09 1.12 0.31 -1.26 -4.78 118.33 109.63 1qjo n VAL 2 Ca 0.00 -0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 63.96 1qjo n VAL 2 Cb 0.00 -0.12 -0.11 0.00 -0.91 0.00 0.00 33.84 32.70 1qjo n VAL 2 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1qjo s LYS 3 N -2.31 0.61 0.10 5.55 -0.14 0.24 -4.97 119.74 118.83 1qjo s LYS 3 Ca 0.42 -0.97 0.02 0.00 -1.36 0.00 0.00 55.97 54.07 1qjo s LYS 3 Cb -0.06 -0.17 -0.04 0.00 -1.68 0.00 0.00 37.83 35.88 1qjo s LYS 3 CO 0.73 0.00 0.22 -1.21 -0.76 0.00 0.00 175.35 174.34 1qjo s GLU 4 N -2.53 3.36 -0.29 1.68 2.02 -1.26 0.77 118.70 122.45 1qjo s GLU 4 Ca -0.02 -0.55 0.02 0.00 0.02 0.00 0.00 54.97 54.44 1qjo s GLU 4 Cb -0.03 -2.96 0.07 0.00 0.10 0.00 0.00 34.13 31.30 1qjo s GLU 4 CO -0.02 0.56 -0.04 0.08 0.02 0.00 0.00 175.26 175.86 1qjo s VAL 5 N -1.61 2.46 -0.06 2.63 1.01 0.40 -4.66 120.40 120.57 1qjo s VAL 5 Ca 0.34 -1.71 -0.00 0.00 0.00 0.00 0.00 61.98 60.61 1qjo s VAL 5 Cb -0.12 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1qjo s VAL 5 CO 0.27 -0.17 -0.01 0.54 0.00 0.00 0.00 175.10 175.73 1qjo s ASN 6 N 1.15 5.09 -0.13 3.32 6.03 -1.25 -1.64 114.94 127.51 1qjo s ASN 6 Ca -0.04 0.07 -0.37 0.00 -1.03 0.00 0.00 52.86 51.49 1qjo s ASN 6 Cb -0.20 -1.38 -0.14 0.00 -3.03 0.00 0.00 41.25 36.50 1qjo s ASN 6 CO -0.04 0.35 1.75 0.52 -2.03 0.00 0.00 177.10 177.64 1qjo n VAL 7 N 1.95 0.36 -0.15 3.54 0.31 -1.14 -4.70 118.33 118.51 1qjo n VAL 7 Ca -0.17 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1qjo n VAL 7 Cb 0.53 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 1qjo n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1qjo n PRO 8 N 5.45 -1.34 -0.47 5.55 -0.04 -1.26 -1.35 135.00 141.54 1qjo n PRO 8 Ca 0.23 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.64 1qjo n PRO 8 Cb 0.21 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.60 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 -2.64 2.63 -1.90 3.54 5.68 -1.26 -4.38 116.55 118.21 1qjo n ASP 9 Ca 0.00 -1.96 -0.10 0.00 -0.50 0.00 0.00 54.79 52.23 1qjo n ASP 9 Cb 0.00 -0.69 -0.12 0.00 -1.14 0.00 0.00 41.12 39.16 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 2.64 2.77 0.00 2.12 -5.35 -1.26 -4.89 119.36 115.40 1qjo n ILE 10 Ca 0.19 -1.33 0.00 0.00 -0.27 0.00 0.00 62.75 61.34 1qjo n ILE 10 Cb 0.44 -1.85 0.00 0.00 -1.74 0.00 0.00 39.64 36.48 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 2.16 0.00 3.27 3.28 0.00 -1.26 -4.83 105.19 107.80 1qjo n GLY 11 Ca 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.20 1qjo n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qjo s GLY 12 N 0.00 1.14 -1.39 -0.02 0.00 -1.26 -5.07 107.32 100.72 1qjo s GLY 12 Ca 0.00 -1.53 -0.09 0.00 0.00 0.00 0.00 44.72 43.11 1qjo s GLY 12 CO 0.00 -1.62 2.92 1.22 0.00 0.00 0.00 173.10 175.62 1qjo n ASP 13 N -0.23 8.26 -2.34 1.64 9.92 -1.26 -4.77 116.55 127.76 1qjo n ASP 13 Ca -0.10 -2.69 -0.03 0.00 -0.53 0.00 0.00 54.79 51.44 1qjo n ASP 13 Cb 0.61 -1.50 -0.03 0.00 -0.64 0.00 0.00 41.12 39.56 1qjo n ASP 13 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qjo n GLU 14 N 3.05 -3.24 -4.28 -1.24 -0.58 -1.26 -5.08 120.64 108.02 1qjo n GLU 14 Ca 0.72 2.59 -0.25 0.00 -0.42 0.00 0.00 57.16 59.80 1qjo n GLU 14 Cb 0.31 -4.12 -0.08 0.00 -0.57 0.00 0.00 31.44 26.98 1qjo n GLU 14 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1qjo s VAL 15 N -0.69 2.29 0.56 2.62 -7.23 -1.18 -4.94 120.40 111.83 1qjo s VAL 15 Ca -0.16 -1.81 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1qjo s VAL 15 Cb 0.01 -2.97 0.06 0.00 0.56 0.00 0.00 36.38 34.04 1qjo s VAL 15 CO 0.60 -0.03 0.54 -1.83 -0.31 0.00 0.00 175.10 174.06 1qjo s GLU 16 N -3.83 2.25 -0.28 4.82 -1.05 -0.49 -0.23 118.70 119.90 1qjo s GLU 16 Ca 0.39 -1.92 -0.06 0.00 -0.15 0.00 0.00 54.97 53.22 1qjo s GLU 16 Cb 0.05 -2.26 0.01 0.00 -0.44 0.00 0.00 34.13 31.48 1qjo s GLU 16 CO 0.21 -0.73 0.05 0.08 0.95 0.00 0.00 175.26 175.82 1qjo s VAL 17 N -2.76 3.75 -0.22 1.83 1.01 0.19 -0.12 120.40 124.09 1qjo s VAL 17 Ca 0.42 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1qjo s VAL 17 Cb -0.03 -2.90 -0.19 0.00 0.00 0.00 0.00 36.38 33.25 1qjo s VAL 17 CO 0.27 0.14 -0.05 0.35 0.00 0.00 0.00 175.10 175.80 1qjo n THR 18 N 4.83 1.58 -4.61 3.92 -2.24 0.31 0.31 114.28 118.37 1qjo n THR 18 Ca -0.15 -0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.77 1qjo n THR 18 Cb 0.48 -1.57 -0.17 0.00 -2.10 0.00 0.00 70.33 66.97 1qjo n THR 18 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qjo s GLU 19 N -2.52 2.53 -0.89 -0.78 0.41 -1.07 -4.86 118.70 111.51 1qjo s GLU 19 Ca -0.32 -0.68 -0.01 0.00 -0.41 0.00 0.00 54.97 53.55 1qjo s GLU 19 Cb 0.09 -2.08 0.34 0.00 -1.78 0.00 0.00 34.13 30.70 1qjo s GLU 19 CO 0.64 -0.02 1.93 1.55 -0.49 0.00 0.00 175.26 178.88 1qjo n VAL 20 N 4.07 4.35 -0.00 2.63 3.14 -1.26 0.52 118.33 131.77 1qjo n VAL 20 Ca -0.20 -4.85 -0.00 0.00 -2.96 0.00 0.00 64.34 56.33 1qjo n VAL 20 Cb 0.52 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 31.96 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 -0.39 -0.00 -4.34 1.45 2.81 -1.19 -4.32 117.12 111.14 1qjo n MET 21 Ca 0.51 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 56.17 1qjo n MET 21 Cb 0.25 -0.01 -0.08 0.00 -0.71 0.00 0.00 33.22 32.67 1qjo n MET 21 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1qjo s VAL 22 N -5.00 3.19 0.24 2.03 -7.23 -0.97 -5.05 120.40 107.60 1qjo s VAL 22 Ca -0.00 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1qjo s VAL 22 Cb 0.00 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1qjo s VAL 22 CO 0.00 -0.36 0.26 0.29 -0.31 0.00 0.00 175.10 174.99 1qjo n LYS 23 N -0.74 0.37 -1.45 4.82 5.02 -1.26 -4.94 118.16 119.99 1qjo n LYS 23 Ca -0.06 -2.22 -0.48 0.00 -2.02 0.00 0.00 58.31 53.52 1qjo n LYS 23 Cb 0.59 1.94 -0.08 0.00 -0.02 0.00 0.00 35.03 37.45 1qjo n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1qjo n VAL 24 N -0.44 0.09 0.00 -0.18 0.31 -1.26 -1.51 118.33 115.35 1qjo n VAL 24 Ca 0.04 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1qjo n VAL 24 Cb 0.43 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1qjo n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qjo n GLY 25 N 6.58 3.47 2.89 2.92 0.00 0.17 -4.97 105.19 116.25 1qjo n GLY 25 Ca 0.46 -1.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.01 -4.28 1.61 8.00 -0.57 -4.16 116.55 117.14 1qjo n ASP 26 Ca 0.00 0.96 -0.34 0.00 0.71 0.00 0.00 54.79 56.12 1qjo n ASP 26 Cb 0.00 -0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 40.28 1qjo n ASP 26 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qjo n LYS 27 N 1.24 1.65 -2.12 -1.24 4.76 -1.26 -1.71 118.16 119.48 1qjo n LYS 27 Ca 0.17 -2.32 -0.32 0.00 -2.87 0.00 0.00 58.31 52.97 1qjo n LYS 27 Cb 0.07 -3.47 -0.01 0.00 -1.84 0.00 0.00 35.03 29.78 1qjo n LYS 27 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1qjo s VAL 28 N 8.84 4.53 -0.03 -0.18 1.01 -0.38 -4.90 120.40 129.28 1qjo s VAL 28 Ca 0.64 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 1qjo s VAL 28 Cb 0.04 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.78 1qjo s VAL 28 CO 0.13 -0.87 0.82 0.00 0.00 0.00 0.00 175.10 175.18 1qjo s ALA 29 N -2.86 -1.80 1.06 5.51 0.00 -1.26 -0.31 121.76 122.09 1qjo s ALA 29 Ca 0.58 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 53.51 1qjo s ALA 29 Cb -0.11 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.12 1qjo s ALA 29 CO 0.42 -0.52 -0.20 0.00 0.00 0.00 0.00 175.76 175.45 1qjo n ALA 30 N 0.27 -4.17 0.00 0.00 0.00 -1.03 -2.83 120.51 112.75 1qjo n ALA 30 Ca -0.13 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1qjo n ALA 30 Cb 0.60 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1qjo n ALA 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qjo n GLU 31 N -0.98 0.00 -3.48 0.00 1.02 -1.26 -4.83 120.64 111.12 1qjo n GLU 31 Ca 0.01 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.86 1qjo n GLU 31 Cb 0.62 -2.63 -0.04 0.00 -0.02 0.00 0.00 31.44 29.37 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1qjo s GLN 32 N 0.00 3.65 0.48 3.49 -0.44 -1.13 -4.87 119.66 120.84 1qjo s GLN 32 Ca 0.00 -0.01 -0.22 0.00 -2.50 0.00 0.00 55.36 52.62 1qjo s GLN 32 Cb 0.00 -2.72 -0.07 0.00 -1.64 0.00 0.00 33.01 28.58 1qjo s GLN 32 CO 0.00 0.32 1.19 -1.54 0.50 0.00 0.00 175.29 175.76 1qjo s SER 33 N -2.84 6.00 -0.02 6.67 1.04 -1.26 -0.56 113.70 122.72 1qjo s SER 33 Ca 0.43 2.37 -0.04 0.00 0.48 0.00 0.00 55.95 59.18 1qjo s SER 33 Cb -0.11 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.39 1qjo s SER 33 CO 0.27 -1.04 -0.08 0.18 0.98 0.00 0.00 173.24 173.54 1qjo n LEU 34 N -0.63 0.69 -4.01 2.42 4.77 0.13 -4.65 117.00 115.72 1qjo n LEU 34 Ca 0.08 0.11 -0.08 0.00 -0.03 0.00 0.00 56.01 56.09 1qjo n LEU 34 Cb 0.48 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1qjo n LEU 34 CO 0.48 -0.50 -0.26 0.27 -1.33 0.00 0.00 177.39 176.06 1qjo s ILE 35 N -1.66 0.18 -0.17 -0.08 -4.36 -1.00 -2.29 121.20 111.82 1qjo s ILE 35 Ca -0.07 -1.60 -0.05 0.00 -0.26 0.00 0.00 60.65 58.67 1qjo s ILE 35 Cb 0.01 -1.51 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 1qjo s ILE 35 CO 0.10 -0.82 -0.00 -0.89 0.24 0.00 0.00 174.94 173.57 1qjo s THR 36 N -3.91 4.18 0.15 8.37 2.01 0.18 -0.19 115.64 126.43 1qjo s THR 36 Ca 0.08 -0.25 0.10 0.00 0.31 0.00 0.00 61.69 61.93 1qjo s THR 36 Cb 0.07 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1qjo s THR 36 CO -0.09 0.47 -0.22 0.68 -0.69 0.00 0.00 174.62 174.77 1qjo s VAL 37 N 0.47 2.54 0.00 3.82 -7.23 0.20 -0.53 120.40 119.67 1qjo s VAL 37 Ca -0.01 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1qjo s VAL 37 Cb -0.14 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.63 1qjo s VAL 37 CO 0.02 0.02 0.00 1.21 -0.31 0.00 0.00 175.10 176.04 1qjo n GLU 38 N 0.62 0.85 0.00 4.82 2.13 0.83 -0.39 120.64 129.51 1qjo n GLU 38 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1qjo n GLU 38 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 1qjo n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qjo n GLY 39 N 1.66 0.08 0.00 8.31 0.00 -1.26 -1.39 105.19 112.59 1qjo n GLY 39 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.00 1.61 8.00 -1.26 -4.84 116.55 120.06 1qjo n ASP 40 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1qjo n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1qjo n ASP 40 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1qjo n LYS 41 N 0.00 0.00 0.00 -1.24 2.85 -1.26 -4.59 118.16 113.93 1qjo n LYS 41 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1qjo n LYS 41 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qjo n ALA 42 N 0.00 0.00 -1.59 0.58 0.00 -1.26 -5.16 120.51 113.07 1qjo n ALA 42 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1qjo n ALA 42 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1qjo n ALA 42 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qjo s SER 43 N 0.00 5.25 0.11 0.00 1.04 -1.26 -4.71 113.70 114.13 1qjo s SER 43 Ca 0.00 2.09 -0.04 0.00 0.48 0.00 0.00 55.95 58.47 1qjo s SER 43 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 1qjo s SER 43 CO 0.00 -1.54 0.11 -0.04 0.98 0.00 0.00 173.24 172.75 1qjo s MET 44 N -3.81 0.90 0.12 4.02 1.00 0.48 -5.01 119.30 116.99 1qjo s MET 44 Ca 0.69 -1.25 0.11 0.00 0.00 0.00 0.00 55.69 55.24 1qjo s MET 44 Cb -0.22 0.28 -0.04 0.00 0.00 0.00 0.00 34.83 34.85 1qjo s MET 44 CO 0.37 -0.27 -0.27 -1.21 0.00 0.00 0.00 175.02 173.64 1qjo s GLU 45 N -3.97 1.45 -0.12 2.03 2.02 -1.26 0.59 118.70 119.44 1qjo s GLU 45 Ca 0.16 -1.32 0.03 0.00 0.02 0.00 0.00 54.97 53.86 1qjo s GLU 45 Cb 0.06 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 32.39 1qjo s GLU 45 CO -0.03 0.46 -0.23 0.08 0.02 0.00 0.00 175.26 175.56 1qjo s VAL 46 N -1.03 2.06 0.72 2.63 1.01 0.74 -4.89 120.40 121.64 1qjo s VAL 46 Ca 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1qjo s VAL 46 Cb -0.10 -1.80 0.13 0.00 0.00 0.00 0.00 36.38 34.61 1qjo s VAL 46 CO 0.05 0.55 0.99 -2.16 0.00 0.00 0.00 175.10 174.54 1qjo s PRO 47 N 0.59 1.66 -0.31 2.72 0.04 -1.26 0.20 135.00 138.64 1qjo s PRO 47 Ca -0.13 -1.21 -0.28 0.00 0.04 0.00 0.00 61.00 59.42 1qjo s PRO 47 Cb -0.17 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 1qjo s PRO 47 CO 0.03 -1.45 1.80 0.00 0.04 0.00 0.00 177.00 177.42 1qjo s ALA 48 N -3.12 2.91 0.65 8.56 0.00 0.27 -4.57 121.76 126.46 1qjo s ALA 48 Ca 0.67 0.32 0.30 0.00 0.00 0.00 0.00 51.96 53.25 1qjo s ALA 48 Cb -0.05 -4.00 1.61 0.00 0.00 0.00 0.00 23.12 20.68 1qjo s ALA 48 CO 0.44 -2.55 1.93 -1.00 0.00 0.00 0.00 175.76 174.58 1qjo h PRO 49 N 12.73 0.00 0.00 0.00 0.13 -1.92 -3.36 132.00 139.59 1qjo h PRO 49 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1qjo h PRO 49 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1qjo h PRO 49 CO 1.02 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.76 1qjo n PHE 50 N -3.09 -0.74 -4.18 1.56 -1.74 -1.26 -4.97 117.46 103.04 1qjo n PHE 50 Ca 0.00 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.66 1qjo n PHE 50 Cb 0.43 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.37 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 -1.00 3.40 0.00 1.98 0.00 -1.26 -2.45 121.76 122.42 1qjo s ALA 51 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.49 1qjo s ALA 51 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.02 1qjo s ALA 51 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1qjo n GLY 52 N -0.86 1.01 3.95 0.00 0.00 0.57 -4.34 105.19 105.52 1qjo n GLY 52 Ca -0.08 -2.08 -0.23 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.01 3.76 -0.42 1.61 -7.23 0.45 -1.25 120.40 116.31 1qjo s VAL 53 Ca 0.00 -0.47 -0.26 0.00 -1.81 0.00 0.00 61.98 59.44 1qjo s VAL 53 Cb 0.00 -3.40 0.02 0.00 0.56 0.00 0.00 36.38 33.56 1qjo s VAL 53 CO 0.00 -0.30 0.95 -0.69 -0.31 0.00 0.00 175.10 174.76 1qjo s VAL 54 N -2.63 4.49 -0.19 1.32 1.01 -0.69 -0.04 120.40 123.67 1qjo s VAL 54 Ca 0.50 1.04 -0.15 0.00 0.00 0.00 0.00 61.98 63.37 1qjo s VAL 54 Cb -0.10 -4.41 -0.10 0.00 0.00 0.00 0.00 36.38 31.77 1qjo s VAL 54 CO 0.39 -0.71 -0.10 1.17 0.00 0.00 0.00 175.10 175.85 1qjo n LYS 55 N 7.06 0.52 -3.88 2.72 4.81 0.34 0.46 118.16 130.20 1qjo n LYS 55 Ca 0.07 0.45 -0.09 0.00 -0.87 0.00 0.00 58.31 57.88 1qjo n LYS 55 Cb 0.48 -1.64 -0.07 0.00 0.02 0.00 0.00 35.03 33.83 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 -2.43 0.99 -0.07 1.64 2.12 -1.03 -4.72 118.70 115.21 1qjo s GLU 56 Ca -0.26 -1.02 -0.30 0.00 0.36 0.00 0.00 54.97 53.75 1qjo s GLU 56 Cb 0.06 0.37 0.09 0.00 0.26 0.00 0.00 34.13 34.90 1qjo s GLU 56 CO 0.42 -0.34 0.77 -0.48 -0.54 0.00 0.00 175.26 175.09 1qjo s LEU 57 N -2.90 -0.56 -0.44 2.70 2.34 -1.26 -0.26 118.68 118.30 1qjo s LEU 57 Ca 0.09 0.57 0.08 0.00 0.06 0.00 0.00 54.13 54.94 1qjo s LEU 57 Cb 0.04 2.33 0.40 0.00 -0.56 0.00 0.00 46.19 48.41 1qjo s LEU 57 CO -0.07 -0.55 1.02 0.29 -1.06 0.00 0.00 176.35 175.98 1qjo n LYS 58 N 0.76 2.79 -4.09 1.48 5.02 -1.22 -5.04 118.16 117.86 1qjo n LYS 58 Ca -0.16 -4.28 -0.09 0.00 -2.02 0.00 0.00 58.31 51.76 1qjo n LYS 58 Cb 0.58 -2.02 -0.10 0.00 -0.02 0.00 0.00 35.03 33.46 1qjo n LYS 58 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1qjo s VAL 59 N -4.63 0.37 0.41 -0.18 -7.23 -1.26 -5.06 120.40 102.83 1qjo s VAL 59 Ca 0.44 -1.62 0.04 0.00 -1.81 0.00 0.00 61.98 59.02 1qjo s VAL 59 Cb 0.38 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 1qjo s VAL 59 CO -0.13 -0.82 0.05 0.20 -0.31 0.00 0.00 175.10 174.10 1qjo s ASN 60 N -2.57 3.23 -1.04 4.85 -0.87 -1.26 -5.04 114.94 112.23 1qjo s ASN 60 Ca 0.03 -1.51 -0.11 0.00 -1.57 0.00 0.00 52.86 49.70 1qjo s ASN 60 Cb 0.02 0.12 0.25 0.00 -0.02 0.00 0.00 41.25 41.63 1qjo s ASN 60 CO -0.06 -0.71 1.05 -0.69 -2.57 0.00 0.00 177.10 174.13 1qjo s VAL 61 N -3.04 5.79 0.00 1.60 1.01 -1.26 -2.02 120.40 122.47 1qjo s VAL 61 Ca 0.26 -3.06 0.00 0.00 0.00 0.00 0.00 61.98 59.18 1qjo s VAL 61 Cb 0.06 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1qjo s VAL 61 CO 0.13 -1.19 0.00 0.61 0.00 0.00 0.00 175.10 174.65 1qjo n GLY 62 N 3.23 0.04 3.55 4.51 0.00 0.15 -4.81 105.19 111.85 1qjo n GLY 62 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.06 3.39 0.02 1.61 -1.08 -0.86 -4.83 116.67 114.87 1qjo s ASP 63 Ca 0.00 -1.33 0.05 0.00 -0.52 0.00 0.00 52.55 50.75 1qjo s ASP 63 Cb 0.00 -0.29 -0.03 0.00 -1.46 0.00 0.00 42.92 41.13 1qjo s ASP 63 CO 0.00 -0.44 -0.12 -1.59 0.52 0.00 0.00 175.17 173.55 1qjo s LYS 64 N -3.74 2.33 -0.08 4.34 0.00 -1.26 0.56 119.74 121.89 1qjo s LYS 64 Ca 0.34 -0.85 0.03 0.00 0.00 0.00 0.00 55.97 55.50 1qjo s LYS 64 Cb 0.08 -2.36 0.01 0.00 0.00 0.00 0.00 37.83 35.56 1qjo s LYS 64 CO 0.17 0.57 -0.17 0.14 0.00 0.00 0.00 175.35 176.06 1qjo s VAL 65 N -0.98 1.48 -0.11 1.79 -7.23 0.68 -4.98 120.40 111.06 1qjo s VAL 65 Ca 0.16 -0.69 -0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1qjo s VAL 65 Cb -0.11 -1.31 0.02 0.00 0.56 0.00 0.00 36.38 35.54 1qjo s VAL 65 CO 0.07 0.43 -0.07 -1.59 -0.31 0.00 0.00 175.10 173.63 1qjo s LYS 66 N 0.49 1.43 -0.42 4.82 -2.85 -1.26 -3.08 119.74 118.87 1qjo s LYS 66 Ca -0.15 -0.22 -0.06 0.00 -1.00 0.00 0.00 55.97 54.54 1qjo s LYS 66 Cb -0.16 -1.51 -0.13 0.00 -2.06 0.00 0.00 37.83 33.96 1qjo s LYS 66 CO 0.05 -0.26 0.98 0.25 0.10 0.00 0.00 175.35 176.47 1qjo n THR 67 N 4.94 0.00 0.00 3.79 -2.24 -1.26 -0.87 114.28 118.64 1qjo n THR 67 Ca -0.12 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1qjo n THR 67 Cb 0.50 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1qjo n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qjo n GLY 68 N 2.45 0.93 3.35 3.38 0.00 -0.46 -4.95 105.19 109.90 1qjo n GLY 68 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 1qjo n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qjo s SER 69 N -1.74 3.79 -1.02 1.61 0.01 -0.04 -4.85 113.70 111.46 1qjo s SER 69 Ca 0.00 -0.36 -0.12 0.00 1.31 0.00 0.00 55.95 56.78 1qjo s SER 69 Cb 0.00 -1.41 -0.08 0.00 0.21 0.00 0.00 66.02 64.75 1qjo s SER 69 CO 0.00 0.20 2.18 0.18 0.41 0.00 0.00 173.24 176.20 1qjo n LEU 70 N 3.30 5.38 0.15 2.44 7.99 -1.26 -2.87 117.00 132.13 1qjo n LEU 70 Ca -0.18 -3.21 -0.12 0.00 -0.01 0.00 0.00 56.01 52.49 1qjo n LEU 70 Cb 0.53 -1.22 -0.07 0.00 -0.11 0.00 0.00 43.42 42.55 1qjo n LEU 70 CO 0.29 0.57 0.51 0.40 -1.51 0.00 0.00 177.39 177.65 1qjo h ILE 71 N 3.75 0.00 -4.38 -0.08 1.08 -1.70 -3.47 117.51 112.70 1qjo h ILE 71 Ca 0.53 0.00 -0.25 0.00 -0.39 0.00 0.00 64.86 64.75 1qjo h ILE 71 Cb 0.37 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.97 1qjo h ILE 71 CO 1.69 0.00 -0.63 0.00 -0.69 0.00 0.00 178.15 178.52 1qjo s MET 72 N -4.85 1.18 -0.22 2.37 0.23 -1.18 -3.37 119.30 113.45 1qjo s MET 72 Ca -0.11 -1.61 -0.04 0.00 -1.03 0.00 0.00 55.69 52.90 1qjo s MET 72 Cb 0.03 0.15 -0.01 0.00 -1.53 0.00 0.00 34.83 33.48 1qjo s MET 72 CO 0.40 -0.34 -0.05 0.96 -2.03 0.00 0.00 175.02 173.96 1qjo s ILE 73 N -4.05 3.29 0.31 3.16 -4.36 0.65 0.15 121.20 120.35 1qjo s ILE 73 Ca 0.35 -0.54 0.06 0.00 -0.26 0.00 0.00 60.65 60.27 1qjo s ILE 73 Cb 0.07 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.27 1qjo s ILE 73 CO 0.10 0.42 0.45 -0.36 0.24 0.00 0.00 174.94 175.78 1qjo s PHE 74 N 1.46 3.20 -0.23 1.37 0.40 0.23 -0.50 117.98 123.92 1qjo s PHE 74 Ca 0.06 -0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1qjo s PHE 74 Cb -0.14 -1.89 0.10 0.00 0.51 0.00 0.00 43.02 41.60 1qjo s PHE 74 CO -0.04 0.10 0.21 -2.00 0.70 0.00 0.00 175.22 174.19 1qjo s GLU 75 N -4.13 0.21 0.00 0.44 2.12 0.94 0.81 118.70 119.09 1qjo s GLU 75 Ca 0.42 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.73 1qjo s GLU 75 Cb -0.09 -1.13 0.00 0.00 0.26 0.00 0.00 34.13 33.16 1qjo s GLU 75 CO 0.31 -0.80 0.07 1.33 -0.54 0.00 0.00 175.26 175.63 1qjo n VAL 76 N 5.30 0.00 -3.28 3.70 0.24 -1.26 -0.41 118.33 122.62 1qjo n VAL 76 Ca -0.05 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.81 1qjo n VAL 76 Cb 0.48 -0.26 -0.07 0.00 -1.47 0.00 0.00 33.84 32.52 1qjo n VAL 76 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1qjo s GLU 77 N 0.52 3.04 0.05 7.34 -6.30 -1.26 -4.72 118.70 117.36 1qjo s GLU 77 Ca 0.00 -1.22 0.00 0.00 -2.50 0.00 0.00 54.97 51.25 1qjo s GLU 77 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 34.13 29.98 1qjo s GLU 77 CO 0.00 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.52 1qjo n GLY 78 N 5.20 -0.05 0.00 -1.50 0.00 -1.26 -4.43 105.19 103.15 1qjo n GLY 78 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.82 0.00 0.00 4.61 0.00 -1.26 -5.21 120.51 115.83 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50