#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 -3.77 1.12 0.31 -1.26 -4.98 118.33 109.75 1qjo n VAL 2 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1qjo n VAL 2 Cb 0.00 -0.39 -0.15 0.00 -0.91 0.00 0.00 33.84 32.39 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 -1.83 0.03 0.30 5.55 -0.14 0.90 -4.97 119.74 119.59 1qjo s LYS 3 Ca 0.00 0.25 -0.11 0.00 -1.36 0.00 0.00 55.97 54.75 1qjo s LYS 3 Cb 0.00 -0.18 -0.08 0.00 -1.68 0.00 0.00 37.83 35.90 1qjo s LYS 3 CO 0.00 -0.14 0.66 -1.21 -0.76 0.00 0.00 175.35 173.89 1qjo s GLU 4 N 0.96 3.86 -0.29 1.68 2.02 -1.26 0.66 118.70 126.34 1qjo s GLU 4 Ca -0.08 0.44 -0.07 0.00 0.02 0.00 0.00 54.97 55.28 1qjo s GLU 4 Cb -0.10 -2.52 0.01 0.00 0.10 0.00 0.00 34.13 31.61 1qjo s GLU 4 CO -0.04 0.19 0.08 0.08 0.02 0.00 0.00 175.26 175.59 1qjo s VAL 5 N -1.99 4.00 0.53 2.63 1.01 0.26 -4.73 120.40 122.10 1qjo s VAL 5 Ca 0.50 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1qjo s VAL 5 Cb -0.11 -3.05 0.06 0.00 0.00 0.00 0.00 36.38 33.29 1qjo s VAL 5 CO 0.22 0.10 0.53 -0.46 0.00 0.00 0.00 175.10 175.48 1qjo n ASN 6 N 4.87 2.42 -4.54 3.32 0.23 -1.26 0.11 115.26 120.41 1qjo n ASN 6 Ca -0.15 -2.67 -0.39 0.00 -0.53 0.00 0.00 54.58 50.85 1qjo n ASN 6 Cb 0.48 -0.17 -0.11 0.00 -2.08 0.00 0.00 39.78 37.90 1qjo n ASN 6 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1qjo s VAL 7 N -2.52 5.11 0.63 3.53 1.01 -0.59 -4.72 120.40 122.85 1qjo s VAL 7 Ca 0.40 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 1qjo s VAL 7 Cb -0.03 -3.52 0.16 0.00 0.00 0.00 0.00 36.38 32.99 1qjo s VAL 7 CO 0.25 0.15 0.40 -0.81 0.00 0.00 0.00 175.10 175.09 1qjo n PRO 8 N 5.05 -3.04 -0.46 2.72 -0.04 -1.26 -1.52 135.00 136.45 1qjo n PRO 8 Ca -0.14 -0.67 -0.07 0.00 -0.04 0.00 0.00 63.50 62.58 1qjo n PRO 8 Cb 0.51 -0.82 -0.06 0.00 -0.04 0.00 0.00 33.50 33.09 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 -4.18 2.55 -1.87 3.54 5.75 -1.26 -3.64 116.55 117.45 1qjo n ASP 9 Ca 0.06 -1.98 -0.07 0.00 -0.01 0.00 0.00 54.79 52.79 1qjo n ASP 9 Cb 0.26 -0.68 -0.10 0.00 -1.03 0.00 0.00 41.12 39.58 1qjo n ASP 9 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1qjo n ILE 10 N 3.05 2.38 0.00 2.12 -5.35 -1.26 -4.75 119.36 115.55 1qjo n ILE 10 Ca 0.21 -1.03 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 1qjo n ILE 10 Cb 0.35 -1.77 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 2.19 2.19 0.00 3.28 0.00 -1.26 -4.71 105.19 106.88 1qjo n GLY 11 Ca 0.25 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 1.90 1.19 -0.02 0.00 -1.26 -5.05 105.19 101.95 1qjo n GLY 12 Ca 0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -0.71 -4.50 1.61 8.00 -1.26 -4.33 116.55 115.36 1qjo n ASP 13 Ca 0.00 0.35 -0.43 0.00 0.71 0.00 0.00 54.79 55.42 1qjo n ASP 13 Cb 0.00 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 40.75 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 -0.35 3.71 0.61 -1.24 0.41 -1.26 -4.47 118.70 116.10 1qjo s GLU 14 Ca 0.22 -1.71 0.04 0.00 -0.41 0.00 0.00 54.97 53.11 1qjo s GLU 14 Cb -0.28 -5.14 0.08 0.00 -1.78 0.00 0.00 34.13 27.01 1qjo s GLU 14 CO 0.21 -1.96 0.84 0.14 -0.49 0.00 0.00 175.26 174.00 1qjo s VAL 15 N 3.40 2.35 0.34 2.63 -7.23 -0.55 -4.83 120.40 116.51 1qjo s VAL 15 Ca 0.41 -0.78 0.06 0.00 -1.81 0.00 0.00 61.98 59.86 1qjo s VAL 15 Cb -0.02 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.29 1qjo s VAL 15 CO -0.06 0.00 -0.01 -1.83 -0.31 0.00 0.00 175.10 172.89 1qjo s GLU 16 N -4.82 1.74 -0.24 4.82 -1.05 -0.76 -0.14 118.70 118.25 1qjo s GLU 16 Ca 0.62 -1.94 -0.15 0.00 -0.15 0.00 0.00 54.97 53.34 1qjo s GLU 16 Cb -0.07 -1.30 -0.04 0.00 -0.44 0.00 0.00 34.13 32.28 1qjo s GLU 16 CO 0.40 -0.04 0.37 0.08 0.95 0.00 0.00 175.26 177.02 1qjo s VAL 17 N -2.94 5.20 -0.21 1.83 1.01 -0.63 -0.90 120.40 123.76 1qjo s VAL 17 Ca 0.34 0.60 -0.18 0.00 0.00 0.00 0.00 61.98 62.74 1qjo s VAL 17 Cb 0.07 -3.70 -0.15 0.00 0.00 0.00 0.00 36.38 32.61 1qjo s VAL 17 CO 0.15 0.21 0.01 0.41 0.00 0.00 0.00 175.10 175.88 1qjo n THR 18 N 4.74 1.51 -3.89 3.92 -1.04 0.53 -1.08 114.28 118.97 1qjo n THR 18 Ca -0.09 -0.05 -0.25 0.00 -2.04 0.00 0.00 64.05 61.62 1qjo n THR 18 Cb 0.51 -2.08 -0.17 0.00 -1.82 0.00 0.00 70.33 66.77 1qjo n THR 18 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1qjo s GLU 19 N -2.40 1.17 -1.17 -2.82 2.02 -0.61 -4.90 118.70 109.99 1qjo s GLU 19 Ca -0.29 -0.12 -0.04 0.00 0.02 0.00 0.00 54.97 54.55 1qjo s GLU 19 Cb 0.07 -1.33 0.23 0.00 0.10 0.00 0.00 34.13 33.20 1qjo s GLU 19 CO 0.51 -0.26 2.04 1.55 0.02 0.00 0.00 175.26 179.11 1qjo n VAL 20 N 4.94 5.60 -0.24 2.63 3.14 -1.26 -0.04 118.33 133.10 1qjo n VAL 20 Ca -0.11 -5.20 0.19 0.00 -2.96 0.00 0.00 64.34 56.26 1qjo n VAL 20 Cb 0.50 -1.86 0.30 0.00 -1.06 0.00 0.00 33.84 31.72 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 1.02 -0.01 -4.60 1.45 0.00 -0.99 -4.46 117.12 109.53 1qjo n MET 21 Ca 0.52 0.45 -0.31 0.00 0.00 0.00 0.00 57.70 58.36 1qjo n MET 21 Cb 0.27 -0.97 -0.12 0.00 0.00 0.00 0.00 33.22 32.39 1qjo n MET 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1qjo s VAL 22 N -3.96 2.85 0.39 2.03 -7.23 -1.14 -5.04 120.40 108.29 1qjo s VAL 22 Ca -0.02 -1.20 0.04 0.00 -1.81 0.00 0.00 61.98 58.98 1qjo s VAL 22 Cb 0.11 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 1qjo s VAL 22 CO 0.34 0.31 0.11 -0.54 -0.31 0.00 0.00 175.10 175.01 1qjo s LYS 23 N -1.53 1.85 -0.47 4.82 1.02 -1.26 -5.06 119.74 119.10 1qjo s LYS 23 Ca 0.15 -2.11 -0.28 0.00 0.02 0.00 0.00 55.97 53.76 1qjo s LYS 23 Cb -0.11 -0.64 -0.09 0.00 -0.52 0.00 0.00 37.83 36.48 1qjo s LYS 23 CO 0.06 -0.42 2.39 0.28 -0.92 0.00 0.00 175.35 176.74 1qjo n VAL 24 N -0.85 0.03 0.00 3.17 0.31 -1.26 -1.83 118.33 117.90 1qjo n VAL 24 Ca -0.05 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1qjo n VAL 24 Cb 0.65 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 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 6.06 2.35 3.18 2.92 0.00 0.76 -5.00 105.19 115.46 1qjo n GLY 25 Ca 0.39 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.58 -4.29 1.61 8.00 -0.76 -4.56 116.55 113.97 1qjo n ASP 26 Ca 0.00 -0.15 -0.41 0.00 0.71 0.00 0.00 54.79 54.94 1qjo n ASP 26 Cb 0.00 -0.83 -0.10 0.00 -0.02 0.00 0.00 41.12 40.17 1qjo n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qjo s LYS 27 N -3.16 2.68 -0.33 -1.24 -0.14 -1.26 -2.88 119.74 113.42 1qjo s LYS 27 Ca 0.49 -1.42 -0.01 0.00 -1.36 0.00 0.00 55.97 53.66 1qjo s LYS 27 Cb -0.06 -3.84 0.07 0.00 -1.68 0.00 0.00 37.83 32.32 1qjo s LYS 27 CO 0.61 -0.96 0.04 0.08 -0.76 0.00 0.00 175.35 174.37 1qjo s VAL 28 N 1.47 2.93 0.26 3.17 1.01 0.10 -5.01 120.40 124.34 1qjo s VAL 28 Ca 0.03 -1.64 0.11 0.00 0.00 0.00 0.00 61.98 60.48 1qjo s VAL 28 Cb -0.23 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1qjo s VAL 28 CO 0.03 -0.28 -0.13 0.00 0.00 0.00 0.00 175.10 174.72 1qjo s ALA 29 N 1.18 2.87 0.89 5.51 0.00 -1.26 0.45 121.76 131.40 1qjo s ALA 29 Ca -0.01 -1.74 -0.17 0.00 0.00 0.00 0.00 51.96 50.05 1qjo s ALA 29 Cb -0.20 -0.47 -0.12 0.00 0.00 0.00 0.00 23.12 22.33 1qjo s ALA 29 CO -0.03 0.31 -0.43 0.00 0.00 0.00 0.00 175.76 175.62 1qjo n ALA 30 N -0.53 -4.41 0.00 0.00 0.00 -1.20 -2.01 120.51 112.36 1qjo n ALA 30 Ca -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1qjo n ALA 30 Cb 0.59 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.53 0.00 -1.52 0.00 0.00 -1.26 -4.77 120.64 114.62 1qjo n GLU 31 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.90 1qjo n GLU 31 Cb 0.54 -0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.83 1qjo n GLU 31 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1qjo n GLN 32 N 0.00 0.28 -0.34 5.31 7.27 -0.85 -4.17 117.38 124.88 1qjo n GLN 32 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 57.00 56.89 1qjo n GLN 32 Cb 0.00 -2.09 0.00 0.00 2.41 0.00 0.00 30.24 30.56 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 11.32 -0.08 0.00 1.69 7.64 -1.26 -1.11 113.62 131.82 1qjo n SER 33 Ca 0.58 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1qjo n SER 33 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 1.60 0.00 -3.80 -3.43 7.99 0.34 -4.55 117.00 115.16 1qjo n LEU 34 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.87 1qjo n LEU 34 Cb 0.02 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.23 1qjo n LEU 34 CO 0.02 0.00 -0.06 0.27 -1.51 0.00 0.00 177.39 176.11 1qjo s ILE 35 N -3.43 0.05 -0.22 -0.08 -4.36 -1.06 -2.36 121.20 109.74 1qjo s ILE 35 Ca 0.00 -0.38 -0.07 0.00 -0.26 0.00 0.00 60.65 59.94 1qjo s ILE 35 Cb 0.00 -0.49 -0.03 0.00 1.25 0.00 0.00 42.46 43.18 1qjo s ILE 35 CO 0.00 -0.21 0.06 -0.89 0.24 0.00 0.00 174.94 174.14 1qjo s THR 36 N -0.87 4.51 0.25 8.37 2.01 0.94 -0.90 115.64 129.94 1qjo s THR 36 Ca -0.09 -0.12 0.10 0.00 0.31 0.00 0.00 61.69 61.89 1qjo s THR 36 Cb -0.05 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1qjo s THR 36 CO 0.02 0.39 -0.08 0.68 -0.69 0.00 0.00 174.62 174.95 1qjo s VAL 37 N 1.03 3.14 0.34 3.82 -7.23 0.11 -0.35 120.40 121.26 1qjo s VAL 37 Ca 0.04 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.27 1qjo s VAL 37 Cb -0.14 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 1qjo s VAL 37 CO 0.03 -0.31 0.09 1.21 -0.31 0.00 0.00 175.10 175.81 1qjo n GLU 38 N -0.56 0.75 0.00 4.82 0.00 -0.08 -0.29 120.64 125.28 1qjo n GLU 38 Ca -0.07 -2.73 0.00 0.00 0.00 0.00 0.00 57.16 54.35 1qjo n GLU 38 Cb 0.58 1.30 0.00 0.00 0.00 0.00 0.00 31.44 33.32 1qjo n GLU 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qjo n GLY 39 N -0.01 -1.53 0.00 8.31 0.00 -1.26 -1.83 105.19 108.87 1qjo n GLY 39 Ca -0.07 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.23 1.61 8.00 -1.26 -4.99 116.55 119.67 1qjo n ASP 40 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 1qjo n ASP 40 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.26 1qjo n ASP 40 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qjo n LYS 41 N 0.00 -0.05 0.00 -1.24 5.02 -1.26 -4.80 118.16 115.82 1qjo n LYS 41 Ca 0.00 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 1qjo n LYS 41 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qjo n ALA 42 N -3.45 0.00 -2.41 7.82 0.00 -1.26 -5.17 120.51 116.04 1qjo n ALA 42 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.25 1qjo n ALA 42 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 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 6.67 0.25 0.00 1.04 -1.26 -4.51 113.70 115.88 1qjo s SER 43 Ca 0.00 0.95 0.11 0.00 0.48 0.00 0.00 55.95 57.49 1qjo s SER 43 Cb 0.00 -2.24 -0.05 0.00 0.10 0.00 0.00 66.02 63.83 1qjo s SER 43 CO 0.00 -0.03 -0.19 -0.04 0.98 0.00 0.00 173.24 173.96 1qjo s MET 44 N -2.62 1.57 0.06 4.02 -1.94 0.60 -4.99 119.30 116.00 1qjo s MET 44 Ca 0.45 -1.69 0.08 0.00 -1.71 0.00 0.00 55.69 52.82 1qjo s MET 44 Cb -0.12 -1.61 -0.03 0.00 2.01 0.00 0.00 34.83 35.08 1qjo s MET 44 CO 0.21 0.30 -0.20 -1.21 -0.01 0.00 0.00 175.02 174.10 1qjo s GLU 45 N -3.42 1.91 -0.11 2.03 2.02 -1.26 0.06 118.70 119.93 1qjo s GLU 45 Ca 0.27 -1.08 0.03 0.00 0.02 0.00 0.00 54.97 54.21 1qjo s GLU 45 Cb -0.04 -2.11 0.01 0.00 0.10 0.00 0.00 34.13 32.08 1qjo s GLU 45 CO 0.12 0.52 -0.19 0.08 0.02 0.00 0.00 175.26 175.81 1qjo s VAL 46 N -0.96 1.77 0.72 2.63 1.01 -0.08 -4.96 120.40 120.53 1qjo s VAL 46 Ca 0.15 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1qjo s VAL 46 Cb -0.10 -1.57 0.08 0.00 0.00 0.00 0.00 36.38 34.78 1qjo s VAL 46 CO 0.06 0.50 1.02 -2.16 0.00 0.00 0.00 175.10 174.51 1qjo s PRO 47 N 0.73 2.00 -0.41 2.72 0.04 -1.26 0.13 135.00 138.94 1qjo s PRO 47 Ca -0.11 -0.44 -0.27 0.00 0.04 0.00 0.00 61.00 60.22 1qjo s PRO 47 Cb -0.16 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 1qjo s PRO 47 CO 0.02 -1.34 2.36 0.00 0.04 0.00 0.00 177.00 178.07 1qjo n ALA 48 N -2.94 1.11 -0.25 8.56 0.00 -0.27 -4.36 120.51 122.36 1qjo n ALA 48 Ca 0.10 -0.64 0.24 0.00 0.00 0.00 0.00 53.44 53.14 1qjo n ALA 48 Cb 0.60 -3.04 0.45 0.00 0.00 0.00 0.00 19.45 17.46 1qjo n ALA 48 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1qjo n PRO 49 N 8.87 -0.05 -1.80 0.00 -0.02 -1.26 -4.02 135.00 136.72 1qjo n PRO 49 Ca 0.36 1.07 -0.03 0.00 -2.02 0.00 0.00 63.50 62.89 1qjo n PRO 49 Cb 0.48 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1qjo n PRO 49 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1qjo n PHE 50 N -4.76 -1.17 -4.04 6.00 -1.74 -1.26 -4.95 117.46 105.55 1qjo n PHE 50 Ca 0.29 -0.49 -0.22 0.00 -0.56 0.00 0.00 57.45 56.48 1qjo n PHE 50 Cb 0.99 0.20 -0.05 0.00 1.52 0.00 0.00 39.48 42.14 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 -1.42 3.61 0.00 1.98 0.00 -1.26 -3.27 121.76 121.40 1qjo s ALA 51 Ca 0.05 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1qjo s ALA 51 Cb -0.01 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1qjo s ALA 51 CO 0.03 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.36 1qjo n GLY 52 N -1.20 0.73 3.79 0.00 0.00 0.17 -4.63 105.19 104.05 1qjo n GLY 52 Ca -0.05 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.74 1.79 -0.41 1.61 -7.23 0.64 0.03 120.40 114.09 1qjo s VAL 53 Ca 0.00 -1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.31 1qjo s VAL 53 Cb 0.00 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.46 1qjo s VAL 53 CO 0.00 0.00 0.27 -0.69 -0.31 0.00 0.00 175.10 174.37 1qjo s VAL 54 N -2.73 4.83 -0.15 1.32 1.01 -1.14 -0.84 120.40 122.70 1qjo s VAL 54 Ca 0.29 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1qjo s VAL 54 Cb 0.02 -3.76 -0.24 0.00 0.00 0.00 0.00 36.38 32.40 1qjo s VAL 54 CO 0.17 -0.35 0.37 0.50 0.00 0.00 0.00 175.10 175.79 1qjo h LYS 55 N 8.54 0.14 -2.45 2.72 3.64 -1.62 0.22 116.57 127.76 1qjo h LYS 55 Ca -0.26 -0.25 0.11 0.00 -1.27 0.00 0.00 60.65 58.98 1qjo h LYS 55 Cb 1.11 0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 32.90 1qjo h LYS 55 CO 0.73 1.12 0.43 -2.00 -2.27 0.00 0.00 179.45 177.46 1qjo s GLU 56 N -2.45 1.07 0.20 1.90 2.12 -1.00 -4.77 118.70 115.78 1qjo s GLU 56 Ca -0.24 -0.49 -0.22 0.00 0.36 0.00 0.00 54.97 54.38 1qjo s GLU 56 Cb 0.05 0.43 0.05 0.00 0.26 0.00 0.00 34.13 34.93 1qjo s GLU 56 CO 0.69 -0.48 0.67 -0.48 -0.54 0.00 0.00 175.26 175.12 1qjo s LEU 57 N -2.70 -0.43 -0.38 2.70 2.34 -1.26 0.44 118.68 119.39 1qjo s LEU 57 Ca 0.07 -0.26 0.12 0.00 0.06 0.00 0.00 54.13 54.12 1qjo s LEU 57 Cb -0.01 2.63 0.43 0.00 -0.56 0.00 0.00 46.19 48.67 1qjo s LEU 57 CO -0.05 -1.11 1.00 0.29 -1.06 0.00 0.00 176.35 175.42 1qjo n LYS 58 N -0.41 2.17 -3.93 1.48 5.02 -1.26 -4.97 118.16 116.25 1qjo n LYS 58 Ca -0.11 -3.85 -0.09 0.00 -2.02 0.00 0.00 58.31 52.24 1qjo n LYS 58 Cb 0.62 -1.73 -0.09 0.00 -0.02 0.00 0.00 35.03 33.81 1qjo n LYS 58 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qjo s VAL 59 N -4.13 0.14 0.34 -0.18 0.11 -1.26 -5.06 120.40 110.35 1qjo s VAL 59 Ca 0.37 -1.13 0.02 0.00 -2.93 0.00 0.00 61.98 58.31 1qjo s VAL 59 Cb 0.42 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1qjo s VAL 59 CO -0.07 -0.63 0.08 0.59 -3.33 0.00 0.00 175.10 171.74 1qjo n ASN 60 N 0.70 1.74 -4.39 3.54 4.13 -1.26 -5.07 115.26 114.65 1qjo n ASN 60 Ca -0.19 -2.69 -0.44 0.00 1.68 0.00 0.00 54.58 52.94 1qjo n ASN 60 Cb 0.59 0.64 -0.07 0.00 -1.54 0.00 0.00 39.78 39.40 1qjo n ASN 60 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1qjo s VAL 61 N -2.64 5.16 0.00 2.41 1.01 -1.26 -2.92 120.40 122.17 1qjo s VAL 61 Ca 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1qjo s VAL 61 Cb 0.01 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1qjo s VAL 61 CO 0.08 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.13 1qjo n GLY 62 N 5.20 0.70 3.63 4.51 0.00 -0.24 -4.95 105.19 114.03 1qjo n GLY 62 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.31 1.67 -0.01 1.61 1.11 -1.15 -4.61 116.67 114.98 1qjo s ASP 63 Ca 0.00 0.89 0.06 0.00 0.18 0.00 0.00 52.55 53.67 1qjo s ASP 63 Cb 0.00 -1.33 -0.03 0.00 1.07 0.00 0.00 42.92 42.63 1qjo s ASP 63 CO 0.00 -3.69 -0.18 -0.54 1.18 0.00 0.00 175.17 171.95 1qjo s LYS 64 N -5.19 2.26 0.15 8.23 -0.14 -1.26 -1.60 119.74 122.19 1qjo s LYS 64 Ca 0.68 -0.85 -0.07 0.00 -1.36 0.00 0.00 55.97 54.37 1qjo s LYS 64 Cb -0.14 -2.25 -0.01 0.00 -1.68 0.00 0.00 37.83 33.75 1qjo s LYS 64 CO 0.57 0.58 0.22 0.14 -0.76 0.00 0.00 175.35 176.10 1qjo s VAL 65 N -0.80 0.08 -0.23 3.17 -7.23 0.80 -4.97 120.40 111.23 1qjo s VAL 65 Ca 0.13 -1.48 -0.32 0.00 -1.81 0.00 0.00 61.98 58.50 1qjo s VAL 65 Cb -0.10 -1.83 0.16 0.00 0.56 0.00 0.00 36.38 35.17 1qjo s VAL 65 CO 0.02 -0.38 1.23 -1.59 -0.31 0.00 0.00 175.10 174.08 1qjo s LYS 66 N -3.97 0.25 -0.49 4.82 0.00 -1.26 -1.48 119.74 117.61 1qjo s LYS 66 Ca 0.17 -0.00 -0.45 0.00 0.00 0.00 0.00 55.97 55.69 1qjo s LYS 66 Cb 0.04 0.12 -0.19 0.00 0.00 0.00 0.00 37.83 37.80 1qjo s LYS 66 CO -0.01 -0.09 1.63 -2.37 0.00 0.00 0.00 175.35 174.51 1qjo n THR 67 N 0.34 0.00 0.00 3.79 5.66 -1.24 -1.99 114.28 120.84 1qjo n THR 67 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1qjo n THR 67 Cb 0.58 -0.49 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 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 4.40 1.00 3.82 1.09 0.00 -0.58 -4.95 105.19 109.98 1qjo n GLY 68 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 1qjo n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qjo s SER 69 N -0.74 5.27 -1.11 1.61 0.15 -0.84 -4.71 113.70 113.33 1qjo s SER 69 Ca 0.00 1.51 -0.03 0.00 0.70 0.00 0.00 55.95 58.12 1qjo s SER 69 Cb 0.00 -2.37 0.28 0.00 -1.71 0.00 0.00 66.02 62.22 1qjo s SER 69 CO 0.00 -1.50 1.77 0.18 1.20 0.00 0.00 173.24 174.89 1qjo n LEU 70 N -3.15 7.03 -0.01 3.45 4.77 -1.26 -1.54 117.00 126.28 1qjo n LEU 70 Ca 0.07 -5.20 -0.00 0.00 -0.03 0.00 0.00 56.01 50.85 1qjo n LEU 70 Cb 0.54 -1.26 -0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1qjo n LEU 70 CO 0.56 1.85 0.05 -0.38 -1.33 0.00 0.00 177.39 178.14 1qjo n ILE 71 N 0.98 -0.02 -4.05 -0.08 5.41 0.29 -4.70 119.36 117.20 1qjo n ILE 71 Ca 0.40 0.16 -0.14 0.00 1.00 0.00 0.00 62.75 64.17 1qjo n ILE 71 Cb 0.29 -0.21 -0.03 0.00 -0.71 0.00 0.00 39.64 38.99 1qjo n ILE 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qjo s MET 72 N -3.57 2.01 -0.23 0.38 0.23 -1.15 -4.34 119.30 112.63 1qjo s MET 72 Ca -0.00 -1.75 -0.03 0.00 -1.03 0.00 0.00 55.69 52.88 1qjo s MET 72 Cb 0.00 0.48 0.01 0.00 -1.53 0.00 0.00 34.83 33.79 1qjo s MET 72 CO 0.02 -0.86 -0.06 0.42 -2.03 0.00 0.00 175.02 172.51 1qjo s ILE 73 N -2.82 3.13 0.30 3.16 1.01 0.17 0.88 121.20 127.03 1qjo s ILE 73 Ca 0.28 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.30 1qjo s ILE 73 Cb -0.01 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1qjo s ILE 73 CO 0.20 0.35 0.23 -0.36 0.00 0.00 0.00 174.94 175.35 1qjo s PHE 74 N 1.42 2.95 -0.05 3.97 0.40 0.21 -1.62 117.98 125.25 1qjo s PHE 74 Ca 0.04 -0.23 -0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1qjo s PHE 74 Cb -0.15 -1.60 0.03 0.00 0.51 0.00 0.00 43.02 41.81 1qjo s PHE 74 CO -0.04 0.35 0.11 -2.00 0.70 0.00 0.00 175.22 174.33 1qjo s GLU 75 N -3.91 0.07 -1.34 0.44 2.12 -0.02 -0.07 118.70 115.99 1qjo s GLU 75 Ca 0.37 0.26 -0.14 0.00 0.36 0.00 0.00 54.97 55.83 1qjo s GLU 75 Cb -0.06 -0.12 0.10 0.00 0.26 0.00 0.00 34.13 34.30 1qjo s GLU 75 CO 0.25 -0.12 1.91 1.33 -0.54 0.00 0.00 175.26 178.10 1qjo n VAL 76 N 3.84 3.90 0.00 3.70 0.24 -1.26 -0.26 118.33 128.49 1qjo n VAL 76 Ca -0.22 -3.86 0.00 0.00 -2.04 0.00 0.00 64.34 58.22 1qjo n VAL 76 Cb 0.54 -2.47 0.00 0.00 -1.47 0.00 0.00 33.84 30.44 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 6.05 0.00 0.00 7.34 -0.58 -1.26 -2.46 120.64 129.72 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 0.41 -3.41 0.00 0.00 -0.57 0.00 0.00 31.44 27.86 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 -1.29 1.58 0.45 0.62 0.00 -1.26 -5.06 105.19 100.23 1qjo n GLY 78 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.09 0.00 4.61 0.00 -1.03 -4.43 120.51 118.57 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