#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 -4.30 1.12 0.31 -1.26 -4.34 118.33 109.85 1qjo n VAL 2 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 1qjo n VAL 2 Cb 0.00 -0.05 -0.12 0.00 -0.91 0.00 0.00 33.84 32.76 1qjo n VAL 2 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1qjo s LYS 3 N 0.30 1.18 0.09 5.55 2.47 0.18 -4.97 119.74 124.53 1qjo s LYS 3 Ca 0.11 -1.28 0.05 0.00 -1.56 0.00 0.00 55.97 53.28 1qjo s LYS 3 Cb -0.15 -1.30 -0.04 0.00 -1.46 0.00 0.00 37.83 34.88 1qjo s LYS 3 CO 0.08 0.28 -0.03 -1.21 0.16 0.00 0.00 175.35 174.63 1qjo s GLU 4 N -2.41 2.45 -0.21 4.03 8.01 -1.26 0.50 118.70 129.81 1qjo s GLU 4 Ca 0.11 -0.87 0.01 0.00 0.01 0.00 0.00 54.97 54.23 1qjo s GLU 4 Cb -0.07 -2.48 0.04 0.00 -4.31 0.00 0.00 34.13 27.31 1qjo s GLU 4 CO 0.05 0.54 -0.12 0.08 0.01 0.00 0.00 175.26 175.82 1qjo s VAL 5 N -1.26 1.80 0.48 2.63 1.01 0.28 -4.74 120.40 120.60 1qjo s VAL 5 Ca 0.24 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1qjo s VAL 5 Cb -0.11 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.45 1qjo s VAL 5 CO 0.16 0.17 0.35 -0.46 0.00 0.00 0.00 175.10 175.33 1qjo n ASN 6 N 4.62 2.53 -4.66 3.32 0.23 -1.26 0.83 115.26 120.88 1qjo n ASN 6 Ca -0.15 -2.64 -0.35 0.00 -0.53 0.00 0.00 54.58 50.91 1qjo n ASN 6 Cb 0.46 -0.03 -0.09 0.00 -2.08 0.00 0.00 39.78 38.03 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 -2.36 5.03 0.00 3.53 1.01 -0.72 -4.68 120.40 122.21 1qjo s VAL 7 Ca 0.27 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1qjo s VAL 7 Cb -0.02 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1qjo s VAL 7 CO 0.17 0.43 0.00 -0.81 0.00 0.00 0.00 175.10 174.89 1qjo n PRO 8 N 3.72 0.50 -1.33 2.72 -0.04 -1.26 -0.10 135.00 139.21 1qjo n PRO 8 Ca -0.16 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.92 1qjo n PRO 8 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 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 -1.23 5.69 -2.81 3.54 5.68 -1.26 -3.77 116.55 122.38 1qjo n ASP 9 Ca 0.00 -2.63 -0.23 0.00 -0.50 0.00 0.00 54.79 51.43 1qjo n ASP 9 Cb 0.00 -1.46 -0.07 0.00 -1.14 0.00 0.00 41.12 38.46 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 4.51 3.03 0.00 2.12 -0.00 -1.26 -4.52 119.36 123.23 1qjo n ILE 10 Ca 0.60 -1.72 0.00 0.00 -0.00 0.00 0.00 62.75 61.64 1qjo n ILE 10 Cb 0.29 -2.20 0.00 0.00 -0.00 0.00 0.00 39.64 37.73 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 3.27 2.71 0.00 3.28 0.00 -1.26 -4.35 105.19 108.83 1qjo n GLY 11 Ca 0.52 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 2.90 0.00 -0.02 0.00 -1.26 -5.15 105.19 101.67 1qjo n GLY 12 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.46 -4.51 1.61 9.92 -1.26 -4.74 116.55 117.11 1qjo n ASP 13 Ca 0.00 -0.50 -0.34 0.00 -0.53 0.00 0.00 54.79 53.42 1qjo n ASP 13 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1qjo n ASP 13 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1qjo s GLU 14 N -2.20 3.72 0.34 -1.24 2.02 -1.26 -4.63 118.70 115.44 1qjo s GLU 14 Ca 0.00 -0.49 0.05 0.00 0.02 0.00 0.00 54.97 54.56 1qjo s GLU 14 Cb 0.00 -2.99 -0.07 0.00 0.10 0.00 0.00 34.13 31.17 1qjo s GLU 14 CO 0.00 0.21 0.02 0.14 0.02 0.00 0.00 175.26 175.65 1qjo s VAL 15 N 0.46 1.55 0.43 2.63 -7.23 -0.99 -4.95 120.40 112.29 1qjo s VAL 15 Ca -0.02 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1qjo s VAL 15 Cb -0.14 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1qjo s VAL 15 CO 0.02 -0.07 0.65 -1.61 -0.31 0.00 0.00 175.10 173.78 1qjo s GLU 16 N -3.80 3.18 -0.31 4.82 2.02 -0.72 -0.39 118.70 123.50 1qjo s GLU 16 Ca 0.34 -0.43 -0.07 0.00 0.02 0.00 0.00 54.97 54.84 1qjo s GLU 16 Cb 0.08 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.76 1qjo s GLU 16 CO 0.15 -0.17 0.09 0.08 0.02 0.00 0.00 175.26 175.43 1qjo s VAL 17 N -2.51 3.85 -0.23 2.63 1.01 0.51 0.05 120.40 125.72 1qjo s VAL 17 Ca 0.46 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1qjo s VAL 17 Cb -0.10 -3.08 -0.20 0.00 0.00 0.00 0.00 36.38 33.01 1qjo s VAL 17 CO 0.38 -0.04 -0.07 1.07 0.00 0.00 0.00 175.10 176.44 1qjo n THR 18 N 4.84 1.50 -4.36 3.92 5.66 0.67 -0.27 114.28 126.24 1qjo n THR 18 Ca -0.14 -0.65 -0.24 0.00 -3.05 0.00 0.00 64.05 59.97 1qjo n THR 18 Cb 0.46 -1.22 -0.17 0.00 -1.55 0.00 0.00 70.33 67.86 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 1.50 -0.93 1.09 0.41 -1.02 -4.91 118.70 112.32 1qjo s GLU 19 Ca -0.27 -0.32 -0.00 0.00 -0.41 0.00 0.00 54.97 53.96 1qjo s GLU 19 Cb 0.08 -1.35 0.31 0.00 -1.78 0.00 0.00 34.13 31.39 1qjo s GLU 19 CO 0.68 -0.06 1.42 1.55 -0.49 0.00 0.00 175.26 178.36 1qjo n VAL 20 N 4.11 4.87 -0.08 2.63 3.14 -1.26 -0.37 118.33 131.38 1qjo n VAL 20 Ca -0.21 -5.81 0.04 0.00 -2.96 0.00 0.00 64.34 55.41 1qjo n VAL 20 Cb 0.51 -1.82 0.08 0.00 -1.06 0.00 0.00 33.84 31.55 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 0.60 -0.02 -4.38 1.45 0.00 -0.69 -4.50 117.12 109.58 1qjo n MET 21 Ca 0.34 0.33 -0.24 0.00 0.00 0.00 0.00 57.70 58.13 1qjo n MET 21 Cb 0.33 -0.54 -0.11 0.00 0.00 0.00 0.00 33.22 32.90 1qjo n MET 21 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1qjo s VAL 22 N -4.79 2.09 0.44 2.03 1.01 -1.17 -5.01 120.40 115.00 1qjo s VAL 22 Ca -0.03 -2.04 0.03 0.00 0.00 0.00 0.00 61.98 59.94 1qjo s VAL 22 Cb 0.07 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1qjo s VAL 22 CO 0.17 -0.27 0.10 -0.75 0.00 0.00 0.00 175.10 174.35 1qjo s LYS 23 N -2.90 2.02 -0.79 2.72 2.20 -1.26 -5.03 119.74 116.69 1qjo s LYS 23 Ca 0.20 -2.26 -0.24 0.00 -0.36 0.00 0.00 55.97 53.31 1qjo s LYS 23 Cb -0.06 -0.83 -0.16 0.00 -1.51 0.00 0.00 37.83 35.27 1qjo s LYS 23 CO 0.09 -0.47 2.39 0.28 -0.36 0.00 0.00 175.35 177.28 1qjo n VAL 24 N -1.02 -0.01 0.00 4.02 0.31 -1.26 -0.98 118.33 119.39 1qjo n VAL 24 Ca -0.10 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1qjo n VAL 24 Cb 0.65 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 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 0.99 3.87 2.92 0.00 0.67 -4.98 105.19 115.24 1qjo n GLY 25 Ca 0.49 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.71 6.62 -0.36 1.61 1.01 -0.15 -4.78 116.67 119.91 1qjo s ASP 26 Ca 0.00 0.94 -0.29 0.00 0.71 0.00 0.00 52.55 53.92 1qjo s ASP 26 Cb 0.00 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.70 1qjo s ASP 26 CO 0.00 -0.11 1.33 -0.54 0.21 0.00 0.00 175.17 176.06 1qjo s LYS 27 N -2.93 3.76 -0.46 8.23 1.02 -1.26 -2.12 119.74 125.98 1qjo s LYS 27 Ca 0.48 1.06 -0.09 0.00 0.02 0.00 0.00 55.97 57.43 1qjo s LYS 27 Cb -0.11 -3.94 0.11 0.00 -0.52 0.00 0.00 37.83 33.37 1qjo s LYS 27 CO 0.22 -1.32 0.33 0.08 -0.92 0.00 0.00 175.35 173.74 1qjo s VAL 28 N 4.80 4.24 0.10 3.17 1.01 0.97 -5.00 120.40 129.68 1qjo s VAL 28 Ca 0.57 -1.69 0.04 0.00 0.00 0.00 0.00 61.98 60.89 1qjo s VAL 28 Cb -0.14 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1qjo s VAL 28 CO 0.28 -0.72 0.08 0.00 0.00 0.00 0.00 175.10 174.74 1qjo s ALA 29 N 1.38 3.54 0.88 5.51 0.00 -1.26 -0.43 121.76 131.38 1qjo s ALA 29 Ca 0.05 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.79 1qjo s ALA 29 Cb -0.26 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1qjo s ALA 29 CO -0.00 0.69 0.19 0.00 0.00 0.00 0.00 175.76 176.63 1qjo n ALA 30 N 0.29 -2.88 0.00 0.00 0.00 -1.16 -1.81 120.51 114.95 1qjo n ALA 30 Ca -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1qjo n ALA 30 Cb 0.52 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.49 0.00 -2.57 0.00 2.13 -1.26 -4.82 120.64 113.63 1qjo n GLU 31 Ca 0.06 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.47 1qjo n GLU 31 Cb 0.53 -1.52 -0.03 0.00 0.27 0.00 0.00 31.44 30.68 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1qjo s GLN 32 N 0.00 3.30 -0.17 5.31 -0.44 -0.75 -4.76 119.66 122.15 1qjo s GLN 32 Ca 0.00 -0.08 -0.29 0.00 -2.50 0.00 0.00 55.36 52.49 1qjo s GLN 32 Cb 0.00 -4.12 -0.13 0.00 -1.64 0.00 0.00 33.01 27.11 1qjo s GLN 32 CO 0.00 -1.98 0.89 0.45 0.50 0.00 0.00 175.29 175.14 1qjo n SER 33 N 9.03 0.40 -0.11 6.67 2.88 -1.26 -2.71 113.62 128.52 1qjo n SER 33 Ca 0.05 0.78 -0.20 0.00 -1.33 0.00 0.00 58.87 58.17 1qjo n SER 33 Cb 0.49 -0.60 -0.09 0.00 -0.75 0.00 0.00 64.21 63.27 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 1.82 1.88 -3.78 2.46 4.77 0.11 -4.40 117.00 119.88 1qjo n LEU 34 Ca 0.17 0.43 -0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1qjo n LEU 34 Cb 0.01 -0.89 -0.13 0.00 -2.33 0.00 0.00 43.42 40.07 1qjo n LEU 34 CO 0.50 0.17 -0.20 0.27 -1.33 0.00 0.00 177.39 176.81 1qjo s ILE 35 N -2.43 -0.03 -0.25 -0.08 -4.36 -0.62 -1.70 121.20 111.73 1qjo s ILE 35 Ca -0.29 0.09 -0.18 0.00 -0.26 0.00 0.00 60.65 60.01 1qjo s ILE 35 Cb 0.07 -0.25 -0.03 0.00 1.25 0.00 0.00 42.46 43.51 1qjo s ILE 35 CO 0.48 0.04 0.52 -0.89 0.24 0.00 0.00 174.94 175.33 1qjo s THR 36 N 0.67 5.07 0.05 8.37 2.01 0.51 -0.89 115.64 131.43 1qjo s THR 36 Ca -0.05 0.91 0.04 0.00 0.31 0.00 0.00 61.69 62.89 1qjo s THR 36 Cb -0.06 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1qjo s THR 36 CO -0.03 0.10 -0.01 0.68 -0.69 0.00 0.00 174.62 174.66 1qjo s VAL 37 N 2.21 3.97 0.00 3.82 -7.23 0.19 -0.24 120.40 123.13 1qjo s VAL 37 Ca 0.22 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1qjo s VAL 37 Cb -0.16 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1qjo s VAL 37 CO 0.09 0.24 0.00 1.21 -0.31 0.00 0.00 175.10 176.33 1qjo n GLU 38 N 0.97 2.28 0.00 4.82 2.13 0.11 0.08 120.64 131.02 1qjo n GLU 38 Ca -0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1qjo n GLU 38 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 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 3.12 0.73 3.48 8.31 0.00 -1.24 -1.76 105.19 117.83 1qjo n GLY 39 Ca 0.00 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 1qjo n GLY 39 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qjo s ASP 40 N -4.00 6.90 0.00 1.61 -4.77 -1.26 -4.59 116.67 110.56 1qjo s ASP 40 Ca 0.00 -2.60 0.00 0.00 -3.30 0.00 0.00 52.55 46.65 1qjo s ASP 40 Cb 0.00 -2.43 0.00 0.00 -1.09 0.00 0.00 42.92 39.40 1qjo s ASP 40 CO 0.00 -0.92 0.00 0.29 0.70 0.00 0.00 175.17 175.24 1qjo n LYS 41 N 6.34 0.00 -3.72 2.11 4.76 -1.26 -4.94 118.16 121.45 1qjo n LYS 41 Ca 0.34 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.41 1qjo n LYS 41 Cb 0.45 -2.40 -0.06 0.00 -1.84 0.00 0.00 35.03 31.18 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qjo s ALA 42 N -0.40 3.80 -0.02 7.82 0.00 -1.26 -5.10 121.76 126.60 1qjo s ALA 42 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.56 1qjo s ALA 42 Cb 0.00 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 1qjo s ALA 42 CO 0.00 0.55 -0.20 0.45 0.00 0.00 0.00 175.76 176.57 1qjo s SER 43 N -1.02 3.61 0.23 0.00 0.15 -1.26 -3.60 113.70 111.80 1qjo s SER 43 Ca 0.19 -0.35 -0.03 0.00 0.70 0.00 0.00 55.95 56.45 1qjo s SER 43 Cb -0.14 -0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 63.54 1qjo s SER 43 CO 0.08 0.31 0.24 -0.32 1.20 0.00 0.00 173.24 174.75 1qjo s MET 44 N -0.86 1.36 0.10 5.44 1.75 0.11 -5.00 119.30 122.20 1qjo s MET 44 Ca 0.12 -1.57 0.05 0.00 -1.25 0.00 0.00 55.69 53.04 1qjo s MET 44 Cb -0.10 0.33 -0.03 0.00 2.84 0.00 0.00 34.83 37.86 1qjo s MET 44 CO 0.01 -0.49 -0.14 -1.21 -0.65 0.00 0.00 175.02 172.55 1qjo s GLU 45 N -4.02 0.93 -0.26 4.11 2.02 -1.26 0.55 118.70 120.76 1qjo s GLU 45 Ca 0.35 -1.12 -0.01 0.00 0.02 0.00 0.00 54.97 54.21 1qjo s GLU 45 Cb 0.04 -0.83 0.08 0.00 0.10 0.00 0.00 34.13 33.53 1qjo s GLU 45 CO 0.13 0.17 0.04 0.08 0.02 0.00 0.00 175.26 175.69 1qjo s VAL 46 N -1.86 1.02 0.94 2.63 1.01 -0.07 -4.92 120.40 119.15 1qjo s VAL 46 Ca 0.04 -1.17 -0.14 0.00 0.00 0.00 0.00 61.98 60.71 1qjo s VAL 46 Cb -0.06 -1.58 0.20 0.00 0.00 0.00 0.00 36.38 34.94 1qjo s VAL 46 CO 0.02 -0.40 1.29 -2.16 0.00 0.00 0.00 175.10 173.85 1qjo s PRO 47 N 1.59 0.67 -0.12 2.72 0.04 -1.26 0.10 135.00 138.74 1qjo s PRO 47 Ca 0.03 -0.56 -0.29 0.00 0.04 0.00 0.00 61.00 60.22 1qjo s PRO 47 Cb -0.18 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1qjo s PRO 47 CO -0.15 -2.35 1.76 0.00 0.04 0.00 0.00 177.00 176.30 1qjo s ALA 48 N -3.81 3.39 0.64 8.56 0.00 -1.10 -4.51 121.76 124.92 1qjo s ALA 48 Ca 0.74 0.82 0.25 0.00 0.00 0.00 0.00 51.96 53.76 1qjo s ALA 48 Cb -0.03 -3.84 1.26 0.00 0.00 0.00 0.00 23.12 20.51 1qjo s ALA 48 CO 0.52 -1.78 1.71 -1.00 0.00 0.00 0.00 175.76 175.21 1qjo h PRO 49 N 10.77 0.00 0.00 0.00 0.13 -1.92 -3.36 132.00 137.62 1qjo h PRO 49 Ca -0.39 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.83 1qjo h PRO 49 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1qjo h PRO 49 CO 0.97 0.00 0.29 1.97 -0.23 0.00 0.00 178.00 181.00 1qjo n PHE 50 N -3.11 -0.66 -3.65 1.56 1.16 -1.26 -4.97 117.46 106.52 1qjo n PHE 50 Ca 0.04 -0.44 -0.38 0.00 -1.87 0.00 0.00 57.45 54.80 1qjo n PHE 50 Cb 0.68 0.21 -0.12 0.00 -1.61 0.00 0.00 39.48 38.64 1qjo n PHE 50 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qjo s ALA 51 N -1.42 3.38 0.00 1.98 0.00 -1.25 -2.96 121.76 121.48 1qjo s ALA 51 Ca 0.10 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1qjo s ALA 51 Cb -0.01 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1qjo s ALA 51 CO 0.01 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1qjo n GLY 52 N 5.01 0.76 3.59 0.00 0.00 0.43 -4.68 105.19 110.30 1qjo n GLY 52 Ca -0.15 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.11 3.33 -0.19 1.61 1.01 -0.48 -0.02 120.40 123.55 1qjo s VAL 53 Ca 0.00 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.10 1qjo s VAL 53 Cb 0.00 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 1qjo s VAL 53 CO 0.00 -0.11 1.09 -0.69 0.00 0.00 0.00 175.10 175.39 1qjo s VAL 54 N -1.70 4.59 -0.20 2.92 1.01 -0.90 -1.10 120.40 125.02 1qjo s VAL 54 Ca 0.25 1.91 -0.16 0.00 0.00 0.00 0.00 61.98 63.99 1qjo s VAL 54 Cb -0.09 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 1qjo s VAL 54 CO 0.16 -0.13 -0.27 1.17 0.00 0.00 0.00 175.10 176.02 1qjo n LYS 55 N 6.10 0.53 -3.77 2.72 4.81 0.01 -0.24 118.16 128.33 1qjo n LYS 55 Ca 0.12 0.31 -0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1qjo n LYS 55 Cb 0.46 -1.52 -0.09 0.00 0.02 0.00 0.00 35.03 33.91 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 -2.65 0.66 0.14 1.64 2.12 -0.17 -4.69 118.70 115.76 1qjo s GLU 56 Ca -0.29 -0.25 -0.08 0.00 0.36 0.00 0.00 54.97 54.71 1qjo s GLU 56 Cb 0.06 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 1qjo s GLU 56 CO 0.42 -0.18 0.22 -0.48 -0.54 0.00 0.00 175.26 174.70 1qjo s LEU 57 N -1.42 1.23 -0.29 2.70 2.34 -1.26 -0.21 118.68 121.77 1qjo s LEU 57 Ca -0.13 -0.86 0.17 0.00 0.06 0.00 0.00 54.13 53.37 1qjo s LEU 57 Cb -0.05 1.01 0.48 0.00 -0.56 0.00 0.00 46.19 47.07 1qjo s LEU 57 CO 0.03 -0.82 1.10 0.29 -1.06 0.00 0.00 176.35 175.89 1qjo n LYS 58 N -0.15 2.19 -4.08 1.48 4.76 -1.26 -5.02 118.16 116.07 1qjo n LYS 58 Ca -0.09 -3.69 -0.11 0.00 -2.87 0.00 0.00 58.31 51.55 1qjo n LYS 58 Cb 0.63 -1.75 -0.11 0.00 -1.84 0.00 0.00 35.03 31.97 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 -4.00 0.46 0.25 -0.18 0.11 -1.26 -5.10 120.40 110.68 1qjo s VAL 59 Ca 0.34 -1.38 0.03 0.00 -2.93 0.00 0.00 61.98 58.04 1qjo s VAL 59 Cb 0.37 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1qjo s VAL 59 CO -0.02 -0.62 0.09 0.59 -3.33 0.00 0.00 175.10 171.81 1qjo n ASN 60 N 0.90 1.09 -4.52 3.54 3.02 -1.26 -5.06 115.26 112.98 1qjo n ASN 60 Ca -0.19 -2.35 -0.43 0.00 -0.03 0.00 0.00 54.58 51.58 1qjo n ASN 60 Cb 0.57 0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 40.33 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 -2.51 4.78 0.00 2.41 1.01 -1.26 -2.63 120.40 122.21 1qjo s VAL 61 Ca 0.13 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1qjo s VAL 61 Cb 0.01 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1qjo s VAL 61 CO 0.09 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.16 1qjo n GLY 62 N 5.03 1.26 3.80 4.51 0.00 0.63 -4.95 105.19 115.47 1qjo n GLY 62 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.29 5.12 0.01 1.61 1.01 -1.08 -4.48 116.67 118.58 1qjo s ASP 63 Ca 0.00 1.73 0.06 0.00 0.71 0.00 0.00 52.55 55.04 1qjo s ASP 63 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1qjo s ASP 63 CO 0.00 -1.62 -0.16 -1.59 0.21 0.00 0.00 175.17 172.01 1qjo s LYS 64 N -4.85 2.23 0.17 8.23 0.00 -1.26 -0.36 119.74 123.90 1qjo s LYS 64 Ca 0.60 -0.88 0.04 0.00 0.00 0.00 0.00 55.97 55.73 1qjo s LYS 64 Cb -0.16 -2.26 -0.05 0.00 0.00 0.00 0.00 37.83 35.37 1qjo s LYS 64 CO 0.53 0.57 -0.07 0.14 0.00 0.00 0.00 175.35 176.51 1qjo s VAL 65 N -0.88 1.11 0.11 1.79 -7.23 0.48 -4.93 120.40 110.85 1qjo s VAL 65 Ca 0.14 -2.05 -0.20 0.00 -1.81 0.00 0.00 61.98 58.06 1qjo s VAL 65 Cb -0.11 -1.99 0.05 0.00 0.56 0.00 0.00 36.38 34.89 1qjo s VAL 65 CO 0.04 -0.62 0.49 -1.59 -0.31 0.00 0.00 175.10 173.11 1qjo s LYS 66 N -3.79 1.11 -0.39 4.82 -2.85 -1.26 -2.34 119.74 115.04 1qjo s LYS 66 Ca 0.20 -0.50 -0.10 0.00 -1.00 0.00 0.00 55.97 54.57 1qjo s LYS 66 Cb 0.04 0.50 -0.09 0.00 -2.06 0.00 0.00 37.83 36.21 1qjo s LYS 66 CO 0.03 -0.44 1.00 0.25 0.10 0.00 0.00 175.35 176.29 1qjo n THR 67 N -0.05 0.00 0.00 3.79 -2.24 -1.25 -1.16 114.28 113.37 1qjo n THR 67 Ca -0.17 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1qjo n THR 67 Cb 0.63 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 2.43 3.13 2.93 3.38 0.00 0.86 -4.91 105.19 113.01 1qjo n GLY 68 Ca 0.26 -1.07 -0.53 0.00 0.00 0.00 0.00 46.02 44.68 1qjo n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qjo n SER 69 N 0.23 0.91 -3.35 1.61 7.64 -0.31 -3.79 113.62 116.56 1qjo n SER 69 Ca 0.00 0.89 -0.29 0.00 1.01 0.00 0.00 58.87 60.47 1qjo n SER 69 Cb 0.00 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 62.45 1qjo n SER 69 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qjo n LEU 70 N 3.65 3.33 -0.07 -3.43 4.32 -1.26 -1.75 117.00 121.79 1qjo n LEU 70 Ca 0.28 -2.41 -0.01 0.00 -0.02 0.00 0.00 56.01 53.85 1qjo n LEU 70 Cb -0.05 -0.93 -0.00 0.00 -1.62 0.00 0.00 43.42 40.82 1qjo n LEU 70 CO 0.72 -0.38 0.10 -0.38 -1.22 0.00 0.00 177.39 176.23 1qjo n ILE 71 N 5.35 -0.11 -3.74 -0.08 5.41 0.25 -4.76 119.36 121.67 1qjo n ILE 71 Ca 0.40 0.43 -0.02 0.00 1.00 0.00 0.00 62.75 64.55 1qjo n ILE 71 Cb 0.25 -0.55 0.02 0.00 -0.71 0.00 0.00 39.64 38.64 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 -4.25 0.48 -4.31 0.38 0.00 -1.05 -4.06 117.12 104.31 1qjo n MET 72 Ca 0.01 -1.07 -0.33 0.00 0.00 0.00 0.00 57.70 56.31 1qjo n MET 72 Cb 0.06 1.43 -0.15 0.00 0.00 0.00 0.00 33.22 34.56 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 -2.23 2.51 0.52 3.17 -4.36 0.71 0.10 121.20 121.62 1qjo s ILE 73 Ca 0.16 -0.81 0.08 0.00 -0.26 0.00 0.00 60.65 59.82 1qjo s ILE 73 Cb -0.02 -2.07 0.05 0.00 1.25 0.00 0.00 42.46 41.67 1qjo s ILE 73 CO 0.04 0.51 0.62 -0.36 0.24 0.00 0.00 174.94 175.99 1qjo s PHE 74 N 1.08 1.90 -0.20 1.37 0.40 0.18 -0.80 117.98 121.90 1qjo s PHE 74 Ca -0.00 -0.65 -0.04 0.00 -0.60 0.00 0.00 56.93 55.64 1qjo s PHE 74 Cb -0.14 -2.18 0.09 0.00 0.51 0.00 0.00 43.02 41.30 1qjo s PHE 74 CO -0.05 -0.75 0.22 -2.00 0.70 0.00 0.00 175.22 173.34 1qjo s GLU 75 N -4.46 0.19 -0.54 0.44 2.56 -0.26 0.49 118.70 117.12 1qjo s GLU 75 Ca 0.53 0.18 -0.27 0.00 0.00 0.00 0.00 54.97 55.42 1qjo s GLU 75 Cb -0.06 -1.22 -0.26 0.00 2.00 0.00 0.00 34.13 34.59 1qjo s GLU 75 CO 0.33 -0.67 1.81 1.33 -0.56 0.00 0.00 175.26 177.50 1qjo n VAL 76 N 5.32 0.80 -4.38 3.70 0.24 -1.26 -1.38 118.33 121.36 1qjo n VAL 76 Ca -0.05 -0.74 -0.27 0.00 -2.04 0.00 0.00 64.34 61.23 1qjo n VAL 76 Cb 0.49 -2.12 -0.13 0.00 -1.47 0.00 0.00 33.84 30.61 1qjo n VAL 76 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1qjo s GLU 77 N 6.54 1.33 0.00 7.34 2.02 -1.26 -4.75 118.70 129.92 1qjo s GLU 77 Ca 0.67 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 54.38 1qjo s GLU 77 Cb 0.10 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.59 1qjo s GLU 77 CO 0.23 0.41 0.00 0.41 0.02 0.00 0.00 175.26 176.33 1qjo n GLY 78 N 1.01 -0.12 0.00 -1.39 0.00 -1.26 -4.34 105.19 99.09 1qjo n GLY 78 Ca -0.18 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.29 0.00 0.00 4.61 0.00 -1.26 -5.20 120.51 116.37 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