#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 0.00 0.03 2.03 -7.23 -1.26 -5.06 120.40 108.92 1qjo s VAL 2 Ca 0.00 -0.84 -0.04 0.00 -1.81 0.00 0.00 61.98 59.29 1qjo s VAL 2 Cb 0.00 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1qjo s VAL 2 CO 0.00 0.00 0.07 -0.75 -0.31 0.00 0.00 175.10 174.11 1qjo s LYS 3 N -3.72 0.55 0.10 4.82 2.36 0.80 -4.93 119.74 119.72 1qjo s LYS 3 Ca 0.11 -0.76 0.07 0.00 -2.55 0.00 0.00 55.97 52.84 1qjo s LYS 3 Cb -0.04 0.21 -0.04 0.00 -1.05 0.00 0.00 37.83 36.91 1qjo s LYS 3 CO 0.04 -0.13 -0.10 -1.83 1.55 0.00 0.00 175.35 174.88 1qjo s GLU 4 N -2.50 2.12 -0.23 4.03 1.03 -1.26 -0.32 118.70 121.57 1qjo s GLU 4 Ca -0.06 -1.03 0.02 0.00 0.03 0.00 0.00 54.97 53.94 1qjo s GLU 4 Cb -0.02 -2.30 0.05 0.00 -0.80 0.00 0.00 34.13 31.05 1qjo s GLU 4 CO -0.04 0.51 -0.14 0.08 -1.33 0.00 0.00 175.26 174.33 1qjo s VAL 5 N -1.22 2.11 0.52 1.83 1.01 0.20 -4.63 120.40 120.23 1qjo s VAL 5 Ca 0.21 -1.37 0.06 0.00 0.00 0.00 0.00 61.98 60.88 1qjo s VAL 5 Cb -0.11 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.18 1qjo s VAL 5 CO 0.14 0.18 0.39 0.54 0.00 0.00 0.00 175.10 176.34 1qjo s ASN 6 N 1.18 4.65 -0.17 3.32 4.22 -1.26 0.17 114.94 127.06 1qjo s ASN 6 Ca -0.04 -1.19 -0.12 0.00 -2.14 0.00 0.00 52.86 49.37 1qjo s ASN 6 Cb -0.17 0.27 -0.05 0.00 1.28 0.00 0.00 41.25 42.57 1qjo s ASN 6 CO -0.08 -1.02 0.24 -0.69 -2.04 0.00 0.00 177.10 173.51 1qjo s VAL 7 N -2.73 5.34 0.00 3.54 1.01 -0.88 -4.74 120.40 121.94 1qjo s VAL 7 Ca 0.36 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1qjo s VAL 7 Cb -0.02 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1qjo s VAL 7 CO 0.22 0.41 0.00 -0.81 0.00 0.00 0.00 175.10 174.92 1qjo n PRO 8 N 3.47 1.92 -1.81 2.72 -0.04 -1.26 0.15 135.00 140.14 1qjo n PRO 8 Ca -0.13 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.92 1qjo n PRO 8 Cb 0.52 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.00 6.18 -2.61 3.54 5.68 -1.26 -4.08 116.55 124.00 1qjo n ASP 9 Ca 0.00 -2.89 -0.18 0.00 -0.50 0.00 0.00 54.79 51.22 1qjo n ASP 9 Cb 0.00 -1.54 -0.08 0.00 -1.14 0.00 0.00 41.12 38.36 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 3.68 2.67 -3.33 2.12 -0.00 -1.26 -4.70 119.36 118.54 1qjo n ILE 10 Ca 0.58 -1.47 -0.26 0.00 -0.00 0.00 0.00 62.75 61.60 1qjo n ILE 10 Cb 0.32 -2.08 -0.05 0.00 -0.00 0.00 0.00 39.64 37.83 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 3.10 -0.24 3.75 3.28 0.00 -1.26 -4.79 105.19 109.03 1qjo n GLY 11 Ca 0.44 0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.35 -0.31 0.00 -0.02 0.00 -1.26 -5.14 107.32 98.24 1qjo s GLY 12 Ca 0.50 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1qjo s GLY 12 CO 0.62 2.27 0.00 1.22 0.00 0.00 0.00 173.10 177.20 1qjo n ASP 13 N -0.72 0.00 -4.55 1.64 8.00 -1.26 -4.70 116.55 114.97 1qjo n ASP 13 Ca -0.04 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.12 1qjo n ASP 13 Cb 0.61 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.60 1qjo n ASP 13 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1qjo s GLU 14 N 0.00 3.12 0.08 -1.24 8.01 -1.26 -3.96 118.70 123.44 1qjo s GLU 14 Ca 0.00 -0.54 -0.03 0.00 0.01 0.00 0.00 54.97 54.41 1qjo s GLU 14 Cb 0.00 -2.71 -0.03 0.00 -4.31 0.00 0.00 34.13 27.08 1qjo s GLU 14 CO 0.00 0.49 0.05 0.14 0.01 0.00 0.00 175.26 175.96 1qjo s VAL 15 N -0.34 0.18 0.48 2.63 -7.23 -0.79 -4.93 120.40 110.39 1qjo s VAL 15 Ca 0.05 -1.65 0.06 0.00 -1.81 0.00 0.00 61.98 58.63 1qjo s VAL 15 Cb -0.12 -1.56 -0.00 0.00 0.56 0.00 0.00 36.38 35.25 1qjo s VAL 15 CO 0.02 -0.81 0.33 -1.83 -0.31 0.00 0.00 175.10 172.51 1qjo s GLU 16 N -3.93 2.32 -0.24 4.82 -1.05 -0.79 -0.51 118.70 119.32 1qjo s GLU 16 Ca 0.09 -1.86 -0.09 0.00 -0.15 0.00 0.00 54.97 52.96 1qjo s GLU 16 Cb 0.07 -2.13 -0.04 0.00 -0.44 0.00 0.00 34.13 31.58 1qjo s GLU 16 CO -0.08 -0.38 0.13 0.08 0.95 0.00 0.00 175.26 175.96 1qjo s VAL 17 N -2.65 5.01 -0.25 1.83 1.01 0.37 -0.18 120.40 125.54 1qjo s VAL 17 Ca 0.39 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 1qjo s VAL 17 Cb -0.01 -3.34 -0.14 0.00 0.00 0.00 0.00 36.38 32.89 1qjo s VAL 17 CO 0.23 0.34 -0.26 1.07 0.00 0.00 0.00 175.10 176.48 1qjo n THR 18 N 4.51 1.41 -3.82 3.92 5.66 0.73 -0.42 114.28 126.28 1qjo n THR 18 Ca -0.15 -0.47 -0.30 0.00 -3.05 0.00 0.00 64.05 60.08 1qjo n THR 18 Cb 0.52 -1.55 -0.15 0.00 -1.55 0.00 0.00 70.33 67.60 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 -2.48 0.99 -1.15 1.09 2.02 -0.83 -4.89 118.70 113.44 1qjo s GLU 19 Ca -0.34 -1.40 -0.18 0.00 0.02 0.00 0.00 54.97 53.08 1qjo s GLU 19 Cb 0.11 -2.38 -0.05 0.00 0.10 0.00 0.00 34.13 31.91 1qjo s GLU 19 CO 0.52 -0.99 2.08 1.55 0.02 0.00 0.00 175.26 178.44 1qjo n VAL 20 N 4.55 2.72 -0.24 2.63 3.14 -1.26 -0.34 118.33 129.54 1qjo n VAL 20 Ca 0.01 -2.41 0.12 0.00 -2.96 0.00 0.00 64.34 59.10 1qjo n VAL 20 Cb 0.41 -2.47 0.22 0.00 -1.06 0.00 0.00 33.84 30.95 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 6.62 -0.05 -2.98 1.45 2.81 -1.21 -4.69 117.12 119.06 1qjo n MET 21 Ca 0.51 1.03 -0.20 0.00 -1.81 0.00 0.00 57.70 57.22 1qjo n MET 21 Cb 0.40 -1.65 0.02 0.00 -0.71 0.00 0.00 33.22 31.27 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 -5.54 3.41 0.30 2.03 -7.23 -1.11 -5.05 120.40 107.22 1qjo s VAL 22 Ca -0.09 -0.75 0.04 0.00 -1.81 0.00 0.00 61.98 59.38 1qjo s VAL 22 Cb 0.21 -3.23 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 1qjo s VAL 22 CO 0.54 -0.13 0.19 -0.54 -0.31 0.00 0.00 175.10 174.85 1qjo s LYS 23 N -4.50 1.61 -0.70 4.82 -0.14 -1.26 -5.10 119.74 114.47 1qjo s LYS 23 Ca 0.52 -1.92 -0.26 0.00 -1.36 0.00 0.00 55.97 52.94 1qjo s LYS 23 Cb -0.10 0.06 0.00 0.00 -1.68 0.00 0.00 37.83 36.11 1qjo s LYS 23 CO 0.36 -0.51 1.60 0.08 -0.76 0.00 0.00 175.35 176.12 1qjo s VAL 24 N -3.62 3.54 0.00 3.17 1.01 -1.26 -3.07 120.40 120.17 1qjo s VAL 24 Ca 0.37 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1qjo s VAL 24 Cb 0.04 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1qjo s VAL 24 CO 0.20 -1.36 0.00 0.61 0.00 0.00 0.00 175.10 174.54 1qjo n GLY 25 N 5.66 1.47 3.70 4.51 0.00 -0.66 -5.00 105.19 114.87 1qjo n GLY 25 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.04 2.97 -0.16 1.61 1.11 -1.17 -4.61 116.67 115.37 1qjo s ASP 26 Ca 0.00 1.24 -0.10 0.00 0.18 0.00 0.00 52.55 53.87 1qjo s ASP 26 Cb 0.00 -1.90 -0.05 0.00 1.07 0.00 0.00 42.92 42.04 1qjo s ASP 26 CO 0.00 -2.92 0.18 -1.59 1.18 0.00 0.00 175.17 172.02 1qjo s LYS 27 N -5.00 4.01 -0.11 8.23 -2.85 -1.26 -0.89 119.74 121.87 1qjo s LYS 27 Ca 0.65 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.52 1qjo s LYS 27 Cb -0.18 -3.36 0.02 0.00 -2.06 0.00 0.00 37.83 32.26 1qjo s LYS 27 CO 0.57 0.42 -0.10 0.08 0.10 0.00 0.00 175.35 176.42 1qjo s VAL 28 N -0.03 1.18 0.11 1.79 1.01 0.85 -4.96 120.40 120.37 1qjo s VAL 28 Ca 0.12 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1qjo s VAL 28 Cb -0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1qjo s VAL 28 CO 0.01 0.39 -0.16 0.00 0.00 0.00 0.00 175.10 175.34 1qjo s ALA 29 N 1.38 1.51 0.00 5.51 0.00 -1.26 0.50 121.76 129.40 1qjo s ALA 29 Ca -0.00 -1.23 -0.27 0.00 0.00 0.00 0.00 51.96 50.46 1qjo s ALA 29 Cb -0.13 -0.12 -0.33 0.00 0.00 0.00 0.00 23.12 22.53 1qjo s ALA 29 CO -0.06 0.18 1.51 0.00 0.00 0.00 0.00 175.76 177.39 1qjo n ALA 30 N 0.80 0.85 0.00 0.00 0.00 -1.25 -0.30 120.51 120.62 1qjo n ALA 30 Ca -0.17 -2.35 0.00 0.00 0.00 0.00 0.00 53.44 50.92 1qjo n ALA 30 Cb 0.56 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.42 1qjo n ALA 30 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1qjo n GLU 31 N 7.61 0.00 -2.18 0.00 0.28 -1.26 -4.92 120.64 120.17 1qjo n GLU 31 Ca 0.41 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.98 1qjo n GLU 31 Cb 0.37 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.21 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1qjo s GLN 32 N -0.80 3.50 0.00 3.44 -0.44 0.59 -4.70 119.66 121.24 1qjo s GLN 32 Ca 0.00 1.21 -0.13 0.00 -2.50 0.00 0.00 55.36 53.94 1qjo s GLN 32 Cb 0.00 -4.10 -0.16 0.00 -1.64 0.00 0.00 33.01 27.11 1qjo s GLN 32 CO 0.00 -1.66 0.98 -1.13 0.50 0.00 0.00 175.29 173.99 1qjo n SER 33 N 9.38 0.10 0.00 6.67 3.41 -1.26 -0.83 113.62 131.08 1qjo n SER 33 Ca 0.19 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1qjo n SER 33 Cb 0.47 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1qjo n SER 33 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qjo n LEU 34 N 5.96 0.00 -3.74 1.04 7.99 0.33 -4.53 117.00 124.05 1qjo n LEU 34 Ca 0.20 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 56.07 1qjo n LEU 34 Cb 0.26 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.49 1qjo n LEU 34 CO 0.67 0.00 0.06 0.27 -1.51 0.00 0.00 177.39 176.88 1qjo s ILE 35 N -2.84 0.05 -0.11 -0.08 -4.36 -1.15 -2.76 121.20 109.95 1qjo s ILE 35 Ca 0.00 -0.38 -0.14 0.00 -0.26 0.00 0.00 60.65 59.87 1qjo s ILE 35 Cb 0.00 -0.64 -0.05 0.00 1.25 0.00 0.00 42.46 43.03 1qjo s ILE 35 CO 0.00 -0.21 0.33 -0.89 0.24 0.00 0.00 174.94 174.41 1qjo s THR 36 N -1.14 5.24 0.23 8.37 2.01 0.54 -1.37 115.64 129.52 1qjo s THR 36 Ca -0.12 0.64 0.11 0.00 0.31 0.00 0.00 61.69 62.63 1qjo s THR 36 Cb -0.04 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1qjo s THR 36 CO 0.04 0.46 -0.17 0.68 -0.69 0.00 0.00 174.62 174.94 1qjo s VAL 37 N -0.09 2.69 0.34 3.82 -7.23 0.16 -0.19 120.40 119.90 1qjo s VAL 37 Ca 0.19 -2.09 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 1qjo s VAL 37 Cb -0.14 -2.36 -0.07 0.00 0.56 0.00 0.00 36.38 34.37 1qjo s VAL 37 CO 0.07 -0.25 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.89 1qjo s GLU 38 N -3.13 1.76 -0.33 4.82 2.12 0.75 -0.57 118.70 124.11 1qjo s GLU 38 Ca 0.26 -1.95 0.02 0.00 0.36 0.00 0.00 54.97 53.66 1qjo s GLU 38 Cb -0.07 -1.39 0.15 0.00 0.26 0.00 0.00 34.13 33.09 1qjo s GLU 38 CO 0.14 -0.01 0.36 0.20 -0.54 0.00 0.00 175.26 175.42 1qjo s GLY 39 N -3.58 -0.18 0.00 -1.50 0.00 0.22 -1.89 107.32 100.39 1qjo s GLY 39 Ca 0.33 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1qjo s GLY 39 CO 0.16 2.79 0.00 1.22 0.00 0.00 0.00 173.10 177.26 1qjo n ASP 40 N 4.77 0.00 -0.84 1.64 8.00 -1.26 -0.05 116.55 128.80 1qjo n ASP 40 Ca 0.05 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.56 1qjo n ASP 40 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.56 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 -3.79 -1.24 0.00 -1.26 -5.08 118.16 106.79 1qjo n LYS 41 Ca 0.00 -1.15 -0.20 0.00 -0.00 0.00 0.00 58.31 56.96 1qjo n LYS 41 Cb 0.00 -0.19 -0.17 0.00 -0.00 0.00 0.00 35.03 34.67 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qjo s ALA 42 N 0.00 0.44 -0.21 0.58 0.00 0.93 -5.14 121.76 118.36 1qjo s ALA 42 Ca 0.10 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 1qjo s ALA 42 Cb 0.12 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1qjo s ALA 42 CO -0.05 -0.35 0.05 -1.12 0.00 0.00 0.00 175.76 174.29 1qjo s SER 43 N 1.75 5.23 0.18 0.00 0.01 -1.26 0.68 113.70 120.30 1qjo s SER 43 Ca 0.01 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.20 1qjo s SER 43 Cb -0.13 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.14 1qjo s SER 43 CO -0.03 0.06 -0.05 -0.04 0.41 0.00 0.00 173.24 173.59 1qjo s MET 44 N 1.03 1.18 0.26 12.44 -1.94 0.26 -5.00 119.30 127.54 1qjo s MET 44 Ca 0.03 -1.55 0.10 0.00 -1.71 0.00 0.00 55.69 52.57 1qjo s MET 44 Cb -0.14 -0.59 -0.04 0.00 2.01 0.00 0.00 34.83 36.06 1qjo s MET 44 CO 0.03 -0.01 -0.07 -1.21 -0.01 0.00 0.00 175.02 173.75 1qjo s GLU 45 N -3.81 2.10 -0.07 2.03 8.01 -1.26 0.35 118.70 126.05 1qjo s GLU 45 Ca 0.22 -1.50 0.05 0.00 0.01 0.00 0.00 54.97 53.75 1qjo s GLU 45 Cb 0.04 -2.05 -0.00 0.00 -4.31 0.00 0.00 34.13 27.81 1qjo s GLU 45 CO 0.04 0.36 -0.23 0.08 0.01 0.00 0.00 175.26 175.52 1qjo s VAL 46 N -2.32 1.91 0.59 2.63 1.01 -0.47 -4.89 120.40 118.86 1qjo s VAL 46 Ca 0.30 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1qjo s VAL 46 Cb -0.06 -1.63 0.06 0.00 0.00 0.00 0.00 36.38 34.74 1qjo s VAL 46 CO 0.18 0.53 0.83 -2.16 0.00 0.00 0.00 175.10 174.48 1qjo s PRO 47 N 0.06 2.34 -0.61 2.72 0.04 -1.26 0.12 135.00 138.42 1qjo s PRO 47 Ca -0.09 -0.85 -0.28 0.00 0.04 0.00 0.00 61.00 59.82 1qjo s PRO 47 Cb -0.15 -2.45 -0.11 0.00 0.04 0.00 0.00 34.50 31.84 1qjo s PRO 47 CO 0.05 -0.89 2.48 0.00 0.04 0.00 0.00 177.00 178.68 1qjo n ALA 48 N -2.47 0.68 -0.57 8.56 0.00 -0.01 -4.48 120.51 122.23 1qjo n ALA 48 Ca 0.10 -0.75 0.46 0.00 0.00 0.00 0.00 53.44 53.24 1qjo n ALA 48 Cb 0.60 -2.96 0.74 0.00 0.00 0.00 0.00 19.45 17.82 1qjo n ALA 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qjo n PRO 49 N 8.86 -0.02 -3.90 0.00 -0.04 -1.26 -3.85 135.00 134.78 1qjo n PRO 49 Ca 0.44 1.19 -0.10 0.00 -0.04 0.00 0.00 63.50 64.99 1qjo n PRO 49 Cb 0.41 -2.49 -0.00 0.00 -0.04 0.00 0.00 33.50 31.37 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 -5.10 0.36 0.24 0.54 -0.71 -1.26 -4.94 117.98 107.10 1qjo s PHE 50 Ca -0.06 -0.87 0.06 0.00 -1.04 0.00 0.00 56.93 55.02 1qjo s PHE 50 Cb 0.29 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.60 1qjo s PHE 50 CO 0.85 -1.37 0.30 0.00 -1.34 0.00 0.00 175.22 173.66 1qjo s ALA 51 N -2.83 3.81 0.00 1.99 0.00 -1.26 -3.77 121.76 119.69 1qjo s ALA 51 Ca 0.20 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1qjo s ALA 51 Cb -0.04 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1qjo s ALA 51 CO 0.13 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.57 1qjo n GLY 52 N -1.26 0.25 3.39 0.00 0.00 0.18 -4.75 105.19 102.99 1qjo n GLY 52 Ca -0.08 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.00 0.92 -0.18 1.61 -7.23 0.14 -0.10 120.40 111.55 1qjo s VAL 53 Ca 0.00 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.02 1qjo s VAL 53 Cb 0.00 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1qjo s VAL 53 CO 0.00 -0.03 0.33 -0.69 -0.31 0.00 0.00 175.10 174.40 1qjo s VAL 54 N -3.49 5.26 -0.17 1.32 1.01 -0.07 -1.18 120.40 123.07 1qjo s VAL 54 Ca 0.36 0.60 -0.14 0.00 0.00 0.00 0.00 61.98 62.80 1qjo s VAL 54 Cb 0.08 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1qjo s VAL 54 CO 0.14 0.33 -0.31 1.17 0.00 0.00 0.00 175.10 176.43 1qjo n LYS 55 N 4.00 0.47 -3.61 2.72 4.81 0.32 -1.65 118.16 125.23 1qjo n LYS 55 Ca -0.11 0.20 -0.12 0.00 -0.87 0.00 0.00 58.31 57.41 1qjo n LYS 55 Cb 0.52 -1.32 -0.05 0.00 0.02 0.00 0.00 35.03 34.19 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 -2.67 1.03 -0.05 1.64 2.56 -0.72 -4.73 118.70 115.76 1qjo s GLU 56 Ca -0.28 -0.47 -0.15 0.00 0.00 0.00 0.00 54.97 54.08 1qjo s GLU 56 Cb 0.07 0.46 0.03 0.00 2.00 0.00 0.00 34.13 36.69 1qjo s GLU 56 CO 0.39 -0.39 0.33 -0.48 -0.56 0.00 0.00 175.26 174.55 1qjo s LEU 57 N -2.36 0.76 -0.49 2.70 2.34 -1.26 -0.33 118.68 120.04 1qjo s LEU 57 Ca -0.02 0.26 0.05 0.00 0.06 0.00 0.00 54.13 54.48 1qjo s LEU 57 Cb 0.00 1.29 0.39 0.00 -0.56 0.00 0.00 46.19 47.31 1qjo s LEU 57 CO -0.07 -0.37 1.07 0.29 -1.06 0.00 0.00 176.35 176.21 1qjo n LYS 58 N 1.67 3.37 -3.96 1.48 4.01 -1.25 -5.02 118.16 118.46 1qjo n LYS 58 Ca -0.19 -4.62 -0.09 0.00 -0.51 0.00 0.00 58.31 52.90 1qjo n LYS 58 Cb 0.56 -2.25 -0.10 0.00 -0.51 0.00 0.00 35.03 32.74 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 -5.17 0.14 0.18 -0.18 -7.23 -1.26 -5.04 120.40 101.84 1qjo s VAL 59 Ca 0.48 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 1qjo s VAL 59 Cb 0.36 -0.85 -0.01 0.00 0.56 0.00 0.00 36.38 36.44 1qjo s VAL 59 CO -0.18 -0.64 0.08 0.59 -0.31 0.00 0.00 175.10 174.64 1qjo n ASN 60 N 0.86 0.89 -4.29 4.85 3.02 -1.26 -5.07 115.26 114.26 1qjo n ASN 60 Ca -0.19 -2.00 -0.45 0.00 -0.03 0.00 0.00 54.58 51.91 1qjo n ASN 60 Cb 0.58 0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 40.23 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 -2.29 5.36 0.00 2.41 1.01 -1.26 -2.96 120.40 122.67 1qjo s VAL 61 Ca 0.11 -2.67 0.00 0.00 0.00 0.00 0.00 61.98 59.42 1qjo s VAL 61 Cb 0.01 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1qjo s VAL 61 CO 0.08 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 174.76 1qjo n GLY 62 N 3.74 -0.40 3.91 4.51 0.00 0.44 -4.88 105.19 112.51 1qjo n GLY 62 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 6.45 -0.05 1.61 1.11 -1.15 -4.75 116.67 119.89 1qjo s ASP 63 Ca 0.00 0.57 -0.01 0.00 0.18 0.00 0.00 52.55 53.29 1qjo s ASP 63 Cb 0.00 -2.08 -0.03 0.00 1.07 0.00 0.00 42.92 41.88 1qjo s ASP 63 CO 0.00 -0.04 0.01 -1.59 1.18 0.00 0.00 175.17 174.72 1qjo s LYS 64 N -3.11 2.93 0.42 8.23 0.00 -1.26 -0.48 119.74 126.47 1qjo s LYS 64 Ca 0.41 -0.48 0.03 0.00 0.00 0.00 0.00 55.97 55.94 1qjo s LYS 64 Cb -0.11 -2.76 -0.03 0.00 0.00 0.00 0.00 37.83 34.92 1qjo s LYS 64 CO 0.27 0.67 0.07 0.14 0.00 0.00 0.00 175.35 176.51 1qjo s VAL 65 N -0.98 0.97 0.00 1.79 -7.23 0.33 -4.98 120.40 110.30 1qjo s VAL 65 Ca 0.16 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 1qjo s VAL 65 Cb -0.11 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1qjo s VAL 65 CO 0.06 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 177.14 1qjo n LYS 66 N -0.96 0.00 -0.64 4.82 -0.00 -1.26 -1.89 118.16 118.22 1qjo n LYS 66 Ca -0.09 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.01 1qjo n LYS 66 Cb 0.66 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.63 1qjo n LYS 66 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1qjo n THR 67 N -0.12 0.00 0.00 0.58 -2.24 -1.25 -0.96 114.28 110.28 1qjo n THR 67 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1qjo n THR 67 Cb 0.00 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 3.12 3.16 1.24 3.38 0.00 0.12 -4.90 105.19 111.30 1qjo n GLY 68 Ca 0.28 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 0.87 0.38 -3.21 1.61 2.88 -0.13 -3.56 113.62 112.45 1qjo n SER 69 Ca 0.00 0.37 -0.23 0.00 -1.33 0.00 0.00 58.87 57.68 1qjo n SER 69 Cb 0.00 -0.30 -0.02 0.00 -0.75 0.00 0.00 64.21 63.14 1qjo n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qjo n LEU 70 N 1.64 4.42 -0.01 2.46 -0.00 -1.26 -2.06 117.00 122.19 1qjo n LEU 70 Ca 0.12 -2.73 -0.00 0.00 -0.00 0.00 0.00 56.01 53.40 1qjo n LEU 70 Cb -0.02 -1.05 -0.00 0.00 -0.00 0.00 0.00 43.42 42.35 1qjo n LEU 70 CO 0.31 0.35 0.09 -0.38 -0.00 0.00 0.00 177.39 177.76 1qjo n ILE 71 N 4.48 -0.02 -3.63 1.47 5.41 0.13 -4.80 119.36 122.40 1qjo n ILE 71 Ca 0.41 0.30 -0.06 0.00 1.00 0.00 0.00 62.75 64.40 1qjo n ILE 71 Cb 0.15 -0.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 1qjo n ILE 71 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 176.55 177.70 1qjo n MET 72 N -2.43 0.51 -4.18 0.38 0.00 -1.17 -3.95 117.12 106.29 1qjo n MET 72 Ca 0.00 -1.39 -0.34 0.00 0.00 0.00 0.00 57.70 55.97 1qjo n MET 72 Cb 0.01 1.52 -0.14 0.00 0.00 0.00 0.00 33.22 34.60 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 -2.57 3.11 0.49 3.17 -4.36 0.55 0.61 121.20 122.20 1qjo s ILE 73 Ca 0.12 -0.60 0.07 0.00 -0.26 0.00 0.00 60.65 59.98 1qjo s ILE 73 Cb -0.02 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.34 1qjo s ILE 73 CO 0.09 0.47 0.42 -0.36 0.24 0.00 0.00 174.94 175.80 1qjo s PHE 74 N 1.13 2.09 0.20 1.37 0.40 0.56 -0.53 117.98 123.21 1qjo s PHE 74 Ca 0.01 -0.68 -0.13 0.00 -0.60 0.00 0.00 56.93 55.54 1qjo s PHE 74 Cb -0.14 -2.05 0.00 0.00 0.51 0.00 0.00 43.02 41.34 1qjo s PHE 74 CO -0.02 -0.36 0.42 -2.00 0.70 0.00 0.00 175.22 173.95 1qjo s GLU 75 N -4.24 1.34 -0.57 0.44 2.12 -0.32 -0.14 118.70 117.33 1qjo s GLU 75 Ca 0.43 -1.09 0.04 0.00 0.36 0.00 0.00 54.97 54.71 1qjo s GLU 75 Cb -0.02 0.45 0.36 0.00 0.26 0.00 0.00 34.13 35.18 1qjo s GLU 75 CO 0.26 -0.54 1.08 1.33 -0.54 0.00 0.00 175.26 176.85 1qjo n VAL 76 N -0.30 3.05 0.00 3.70 0.24 -1.26 0.23 118.33 123.99 1qjo n VAL 76 Ca -0.07 -5.37 0.00 0.00 -2.04 0.00 0.00 64.34 56.86 1qjo n VAL 76 Cb 0.62 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 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 -0.32 0.00 0.00 7.34 -0.58 -1.26 -4.98 120.64 120.84 1qjo n GLU 77 Ca 0.35 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 1qjo n GLU 77 Cb 0.46 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 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 -0.25 0.22 2.78 0.62 0.00 -1.26 -4.97 105.19 102.33 1qjo n GLY 78 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.87 -0.99 4.61 0.00 -1.26 -5.19 120.51 116.81 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