#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 -3.91 2.03 0.24 -1.26 -4.98 118.33 110.46 1qjo n VAL 2 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 1qjo n VAL 2 Cb 0.00 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.22 1qjo n VAL 2 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1qjo s LYS 3 N 0.00 1.41 0.59 7.34 3.01 0.22 -4.99 119.74 127.32 1qjo s LYS 3 Ca 0.00 -1.09 -0.20 0.00 -1.01 0.00 0.00 55.97 53.67 1qjo s LYS 3 Cb 0.00 -2.55 -0.03 0.00 -1.01 0.00 0.00 37.83 34.24 1qjo s LYS 3 CO 0.00 -0.70 1.32 -1.21 0.51 0.00 0.00 175.35 175.27 1qjo s GLU 4 N 1.39 2.89 -0.47 1.68 2.02 -1.26 -0.03 118.70 124.92 1qjo s GLU 4 Ca -0.01 2.13 -0.05 0.00 0.02 0.00 0.00 54.97 57.06 1qjo s GLU 4 Cb -0.19 -2.06 0.12 0.00 0.10 0.00 0.00 34.13 32.10 1qjo s GLU 4 CO -0.09 -1.36 0.29 0.08 0.02 0.00 0.00 175.26 174.21 1qjo s VAL 5 N -1.36 3.69 0.47 2.63 1.01 0.23 -4.72 120.40 122.34 1qjo s VAL 5 Ca 0.77 -2.11 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 1qjo s VAL 5 Cb -0.38 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1qjo s VAL 5 CO 0.43 -0.75 0.73 0.54 0.00 0.00 0.00 175.10 176.05 1qjo s ASN 6 N 1.95 6.06 -0.19 3.32 4.22 -1.26 -1.63 114.94 127.42 1qjo s ASN 6 Ca 0.09 0.66 -0.12 0.00 -2.14 0.00 0.00 52.86 51.34 1qjo s ASN 6 Cb -0.23 -1.96 -0.05 0.00 1.28 0.00 0.00 41.25 40.29 1qjo s ASN 6 CO -0.03 -0.63 0.23 -0.69 -2.04 0.00 0.00 177.10 173.94 1qjo s VAL 7 N -2.66 5.34 0.00 3.54 1.01 -1.00 -4.69 120.40 121.95 1qjo s VAL 7 Ca 0.47 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1qjo s VAL 7 Cb -0.10 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1qjo s VAL 7 CO 0.42 0.39 0.00 -2.65 0.00 0.00 0.00 175.10 173.25 1qjo n PRO 8 N 3.74 -1.78 -0.01 2.72 -0.02 -1.26 0.05 135.00 138.44 1qjo n PRO 8 Ca -0.13 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.35 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 -2.79 0.11 -3.48 2.55 5.75 -1.26 -3.94 116.55 113.49 1qjo n ASP 9 Ca 0.00 -1.07 -0.40 0.00 -0.01 0.00 0.00 54.79 53.31 1qjo n ASP 9 Cb 0.00 -0.02 -0.01 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 2.07 4.64 0.00 2.12 -0.00 -1.26 -4.92 119.36 122.02 1qjo n ILE 10 Ca 0.00 -3.54 0.00 0.00 -0.00 0.00 0.00 62.75 59.21 1qjo n ILE 10 Cb 0.01 -2.36 0.00 0.00 -0.00 0.00 0.00 39.64 37.29 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 2.76 -1.06 0.00 7.39 0.00 -1.26 -4.69 105.19 108.33 1qjo n GLY 11 Ca 0.66 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 6.05 0.00 -0.02 0.00 -1.26 -4.72 105.19 105.24 1qjo n GLY 12 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 -3.66 1.61 9.92 -1.26 -4.55 116.55 118.61 1qjo n ASP 13 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 1qjo n ASP 13 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 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 0.00 0.66 0.44 -1.24 -1.05 -1.26 -4.74 118.70 111.51 1qjo s GLU 14 Ca 0.00 0.97 0.03 0.00 -0.15 0.00 0.00 54.97 55.83 1qjo s GLU 14 Cb 0.00 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.87 1qjo s GLU 14 CO 0.00 -0.12 0.04 0.14 0.95 0.00 0.00 175.26 176.27 1qjo s VAL 15 N 0.95 1.24 0.33 1.83 -7.23 -0.38 -4.87 120.40 112.27 1qjo s VAL 15 Ca -0.05 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 1qjo s VAL 15 Cb -0.05 -2.49 -0.07 0.00 0.56 0.00 0.00 36.38 34.33 1qjo s VAL 15 CO -0.08 0.00 -0.03 -1.83 -0.31 0.00 0.00 175.10 172.84 1qjo s GLU 16 N -3.80 1.73 -0.12 4.82 -1.05 0.63 -0.19 118.70 120.72 1qjo s GLU 16 Ca 0.21 -1.92 -0.20 0.00 -0.15 0.00 0.00 54.97 52.91 1qjo s GLU 16 Cb 0.05 -1.36 -0.04 0.00 -0.44 0.00 0.00 34.13 32.35 1qjo s GLU 16 CO 0.11 0.01 0.57 0.08 0.95 0.00 0.00 175.26 176.98 1qjo s VAL 17 N -2.89 5.12 -0.24 1.83 1.01 -0.05 -0.44 120.40 124.73 1qjo s VAL 17 Ca 0.33 1.14 -0.05 0.00 0.00 0.00 0.00 61.98 63.40 1qjo s VAL 17 Cb 0.06 -3.91 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 1qjo s VAL 17 CO 0.15 0.26 -0.26 0.35 0.00 0.00 0.00 175.10 175.60 1qjo n THR 18 N 3.89 1.36 -3.69 3.92 -2.24 0.82 0.92 114.28 119.26 1qjo n THR 18 Ca -0.04 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 1qjo n THR 18 Cb 0.51 -1.56 -0.16 0.00 -2.10 0.00 0.00 70.33 67.02 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 -2.46 0.56 -1.28 -0.78 2.02 -1.09 -4.84 118.70 110.83 1qjo s GLU 19 Ca -0.33 -0.71 -0.17 0.00 0.02 0.00 0.00 54.97 53.78 1qjo s GLU 19 Cb 0.11 -1.84 0.09 0.00 0.10 0.00 0.00 34.13 32.59 1qjo s GLU 19 CO 0.49 -0.87 1.69 1.55 0.02 0.00 0.00 175.26 178.14 1qjo n VAL 20 N 5.02 4.01 -0.30 2.63 3.14 -1.26 -0.85 118.33 130.72 1qjo n VAL 20 Ca -0.05 -4.23 0.13 0.00 -2.96 0.00 0.00 64.34 57.23 1qjo n VAL 20 Cb 0.44 -2.39 0.28 0.00 -1.06 0.00 0.00 33.84 31.11 1qjo n VAL 20 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1qjo h MET 21 N 7.40 0.12 -6.21 1.45 0.00 -1.74 -3.43 114.93 112.51 1qjo h MET 21 Ca 0.42 -0.01 -0.53 0.00 0.00 0.00 0.00 59.70 59.59 1qjo h MET 21 Cb 0.86 -0.03 -0.06 0.00 0.00 0.00 0.00 31.60 32.37 1qjo h MET 21 CO 1.42 0.08 -0.56 0.14 0.00 0.00 0.00 176.91 177.99 1qjo s VAL 22 N -5.97 4.25 0.33 -2.22 -7.23 -1.16 -5.07 120.40 103.33 1qjo s VAL 22 Ca -0.12 -1.43 0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1qjo s VAL 22 Cb 0.27 -3.26 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 1qjo s VAL 22 CO 0.77 -0.30 0.12 0.29 -0.31 0.00 0.00 175.10 175.68 1qjo n LYS 23 N -0.93 0.63 -1.61 4.82 4.01 -1.26 -5.05 118.16 118.78 1qjo n LYS 23 Ca -0.08 -2.82 -0.14 0.00 -0.51 0.00 0.00 58.31 54.76 1qjo n LYS 23 Cb 0.57 1.56 -0.08 0.00 -0.51 0.00 0.00 35.03 36.57 1qjo n LYS 23 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1qjo s VAL 24 N -2.81 3.04 0.00 -0.18 1.01 -1.26 -1.82 120.40 118.38 1qjo s VAL 24 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1qjo s VAL 24 Cb 0.01 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1qjo s VAL 24 CO 0.12 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1qjo n GLY 25 N 6.57 1.79 3.87 4.51 0.00 -0.36 -4.95 105.19 116.63 1qjo n GLY 25 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 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 6.56 -0.70 1.61 1.01 -0.75 -4.78 116.67 117.62 1qjo s ASP 26 Ca 0.00 0.66 -0.26 0.00 0.71 0.00 0.00 52.55 53.66 1qjo s ASP 26 Cb 0.00 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 1qjo s ASP 26 CO 0.00 0.33 1.80 -0.54 0.21 0.00 0.00 175.17 176.97 1qjo s LYS 27 N -1.28 2.71 -0.43 8.23 -0.14 -1.26 -2.36 119.74 125.21 1qjo s LYS 27 Ca 0.22 0.26 -0.13 0.00 -1.36 0.00 0.00 55.97 54.96 1qjo s LYS 27 Cb -0.14 -4.54 0.05 0.00 -1.68 0.00 0.00 37.83 31.53 1qjo s LYS 27 CO 0.11 -2.78 0.31 0.08 -0.76 0.00 0.00 175.35 172.31 1qjo s VAL 28 N 8.75 4.91 0.32 3.17 1.01 0.12 -4.97 120.40 133.72 1qjo s VAL 28 Ca 0.63 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 61.72 1qjo s VAL 28 Cb -0.10 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1qjo s VAL 28 CO 0.15 -0.44 -0.13 0.00 0.00 0.00 0.00 175.10 174.69 1qjo s ALA 29 N 1.59 2.84 1.01 5.51 0.00 -1.26 0.77 121.76 132.22 1qjo s ALA 29 Ca 0.04 -2.01 -0.22 0.00 0.00 0.00 0.00 51.96 49.77 1qjo s ALA 29 Cb -0.22 -0.10 -0.12 0.00 0.00 0.00 0.00 23.12 22.69 1qjo s ALA 29 CO 0.07 0.13 -0.94 0.00 0.00 0.00 0.00 175.76 175.02 1qjo n ALA 30 N -0.72 -5.21 0.00 0.00 0.00 -1.24 -2.49 120.51 110.85 1qjo n ALA 30 Ca -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1qjo n ALA 30 Cb 0.62 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 1.42 0.00 -2.28 0.00 4.71 -1.26 -4.80 120.64 118.43 1qjo n GLU 31 Ca -0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.77 1qjo n GLU 31 Cb 0.66 -2.32 -0.03 0.00 -1.01 0.00 0.00 31.44 28.74 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1qjo s GLN 32 N 0.00 2.93 -0.02 3.49 -0.44 -1.04 -4.76 119.66 119.82 1qjo s GLN 32 Ca 0.00 -0.07 -0.01 0.00 -2.50 0.00 0.00 55.36 52.78 1qjo s GLN 32 Cb 0.00 -4.58 -0.01 0.00 -1.64 0.00 0.00 33.01 26.78 1qjo s GLN 32 CO 0.00 -2.59 0.85 0.45 0.50 0.00 0.00 175.29 174.50 1qjo n SER 33 N 11.34 -1.52 -0.04 6.67 2.88 -1.26 -2.18 113.62 129.51 1qjo n SER 33 Ca 0.20 -1.12 -0.01 0.00 -1.33 0.00 0.00 58.87 56.62 1qjo n SER 33 Cb 0.50 -0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 63.55 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 4.54 -0.09 -3.79 2.46 7.99 0.17 -4.55 117.00 123.72 1qjo n LEU 34 Ca 0.02 0.42 -0.13 0.00 -0.01 0.00 0.00 56.01 56.31 1qjo n LEU 34 Cb 0.41 -0.16 -0.10 0.00 -0.11 0.00 0.00 43.42 43.46 1qjo n LEU 34 CO 0.42 -0.26 -0.06 0.27 -1.51 0.00 0.00 177.39 176.25 1qjo s ILE 35 N -3.52 0.03 0.02 -0.08 -4.36 -0.81 -2.63 121.20 109.85 1qjo s ILE 35 Ca -0.01 -0.22 -0.14 0.00 -0.26 0.00 0.00 60.65 60.01 1qjo s ILE 35 Cb 0.01 -0.45 -0.06 0.00 1.25 0.00 0.00 42.46 43.22 1qjo s ILE 35 CO 0.05 -0.12 0.42 -0.89 0.24 0.00 0.00 174.94 174.64 1qjo s THR 36 N -0.45 5.02 0.08 8.37 2.01 -0.03 -1.17 115.64 129.47 1qjo s THR 36 Ca -0.06 0.82 0.01 0.00 0.31 0.00 0.00 61.69 62.77 1qjo s THR 36 Cb -0.04 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1qjo s THR 36 CO 0.01 0.54 -0.06 0.68 -0.69 0.00 0.00 174.62 175.10 1qjo s VAL 37 N -1.13 0.60 0.08 3.82 -7.23 0.83 -0.13 120.40 117.24 1qjo s VAL 37 Ca 0.25 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1qjo s VAL 37 Cb -0.16 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1qjo s VAL 37 CO 0.14 -0.84 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.32 1qjo s GLU 38 N -3.61 0.75 0.00 4.82 -6.30 0.42 0.02 118.70 114.79 1qjo s GLU 38 Ca 0.09 -1.15 0.00 0.00 -2.50 0.00 0.00 54.97 51.40 1qjo s GLU 38 Cb 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 34.13 33.92 1qjo s GLU 38 CO -0.05 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1qjo n GLY 39 N 0.44 0.47 2.76 -1.50 0.00 -1.25 -0.26 105.19 105.83 1qjo n GLY 39 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 1.00 3.92 -1.14 1.61 -4.77 -1.26 -4.80 116.67 111.23 1qjo s ASP 40 Ca 0.00 -2.22 0.00 0.00 -3.30 0.00 0.00 52.55 47.03 1qjo s ASP 40 Cb 0.00 -1.05 0.00 0.00 -1.09 0.00 0.00 42.92 40.78 1qjo s ASP 40 CO 0.00 -0.33 0.00 0.29 0.70 0.00 0.00 175.17 175.83 1qjo n LYS 41 N 4.10 -1.79 -3.76 2.11 4.01 -1.26 -4.90 118.16 116.66 1qjo n LYS 41 Ca 0.04 0.64 -0.28 0.00 -0.51 0.00 0.00 58.31 58.20 1qjo n LYS 41 Cb 0.38 -5.07 -0.12 0.00 -0.51 0.00 0.00 35.03 29.71 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qjo s ALA 42 N -2.33 2.92 -0.16 7.82 0.00 -1.26 -5.10 121.76 123.65 1qjo s ALA 42 Ca 0.00 -3.24 -0.29 0.00 0.00 0.00 0.00 51.96 48.43 1qjo s ALA 42 Cb 0.00 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 1qjo s ALA 42 CO 0.00 -2.06 2.03 0.45 0.00 0.00 0.00 175.76 176.18 1qjo s SER 43 N -0.66 5.89 0.28 0.00 0.15 -1.26 -3.91 113.70 114.19 1qjo s SER 43 Ca 0.24 2.01 0.11 0.00 0.70 0.00 0.00 55.95 59.01 1qjo s SER 43 Cb -0.09 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 1qjo s SER 43 CO -0.12 -1.59 -0.10 -0.04 1.20 0.00 0.00 173.24 172.59 1qjo s MET 44 N 5.54 2.00 0.14 5.44 -1.94 0.10 -4.99 119.30 125.59 1qjo s MET 44 Ca 0.91 -1.59 0.08 0.00 -1.71 0.00 0.00 55.69 53.38 1qjo s MET 44 Cb -0.33 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.50 1qjo s MET 44 CO 0.36 0.34 -0.19 -1.21 -0.01 0.00 0.00 175.02 174.31 1qjo s GLU 45 N -3.60 1.19 -0.22 2.03 2.02 -1.26 -0.12 118.70 118.75 1qjo s GLU 45 Ca 0.31 -1.29 0.02 0.00 0.02 0.00 0.00 54.97 54.02 1qjo s GLU 45 Cb -0.06 -1.33 0.05 0.00 0.10 0.00 0.00 34.13 32.89 1qjo s GLU 45 CO 0.18 0.29 -0.12 0.08 0.02 0.00 0.00 175.26 175.70 1qjo s VAL 46 N -1.67 1.88 0.83 2.63 1.01 -0.32 -4.91 120.40 119.86 1qjo s VAL 46 Ca 0.11 -1.22 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 1qjo s VAL 46 Cb -0.08 -1.93 0.15 0.00 0.00 0.00 0.00 36.38 34.52 1qjo s VAL 46 CO 0.05 0.15 1.15 -2.16 0.00 0.00 0.00 175.10 174.29 1qjo s PRO 47 N 1.28 1.25 -0.65 2.72 0.04 -1.26 0.45 135.00 138.82 1qjo s PRO 47 Ca -0.03 -0.68 -0.26 0.00 0.04 0.00 0.00 61.00 60.07 1qjo s PRO 47 Cb -0.17 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1qjo s PRO 47 CO -0.08 -1.88 2.29 0.00 0.04 0.00 0.00 177.00 177.37 1qjo s ALA 48 N -3.51 1.38 0.43 8.56 0.00 -0.93 -4.40 121.76 123.29 1qjo s ALA 48 Ca 0.69 -0.51 0.33 0.00 0.00 0.00 0.00 51.96 52.46 1qjo s ALA 48 Cb -0.05 -4.44 1.42 0.00 0.00 0.00 0.00 23.12 20.05 1qjo s ALA 48 CO 0.48 -4.94 1.46 -0.35 0.00 0.00 0.00 175.76 172.42 1qjo n PRO 49 N 8.95 -0.03 -2.58 0.00 -0.04 -1.26 -4.09 135.00 135.95 1qjo n PRO 49 Ca 0.38 1.15 -0.06 0.00 -0.04 0.00 0.00 63.50 64.94 1qjo n PRO 49 Cb 0.50 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1qjo n PRO 49 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1qjo n PHE 50 N -4.48 -1.35 -4.05 0.54 -1.74 -1.26 -4.97 117.46 100.15 1qjo n PHE 50 Ca 0.38 -1.06 -0.26 0.00 -0.56 0.00 0.00 57.45 55.96 1qjo n PHE 50 Cb 1.52 0.38 -0.05 0.00 1.52 0.00 0.00 39.48 42.85 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 -1.84 3.68 0.00 1.98 0.00 -1.26 -3.72 121.76 120.59 1qjo s ALA 51 Ca 0.11 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1qjo s ALA 51 Cb -0.02 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1qjo s ALA 51 CO 0.08 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1qjo n GLY 52 N -0.43 0.12 3.16 0.00 0.00 0.23 -4.72 105.19 103.55 1qjo n GLY 52 Ca -0.08 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.44 0.10 0.00 1.61 1.01 0.86 0.16 120.40 120.69 1qjo s VAL 53 Ca 0.00 -1.87 -0.18 0.00 0.00 0.00 0.00 61.98 59.93 1qjo s VAL 53 Cb 0.00 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.31 1qjo s VAL 53 CO 0.00 -0.47 0.51 -0.69 0.00 0.00 0.00 175.10 174.44 1qjo s VAL 54 N -4.04 4.94 -0.07 2.92 1.01 -0.99 -1.09 120.40 123.08 1qjo s VAL 54 Ca 0.23 1.06 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 1qjo s VAL 54 Cb 0.07 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1qjo s VAL 54 CO 0.01 0.50 -0.21 1.17 0.00 0.00 0.00 175.10 176.57 1qjo n LYS 55 N 2.29 0.32 -3.79 2.72 3.00 0.10 -1.22 118.16 121.58 1qjo n LYS 55 Ca -0.10 0.13 -0.09 0.00 -0.00 0.00 0.00 58.31 58.24 1qjo n LYS 55 Cb 0.51 -1.05 -0.06 0.00 0.00 0.00 0.00 35.03 34.43 1qjo n LYS 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1qjo s GLU 56 N -2.53 0.98 0.02 1.64 2.12 -1.10 -4.72 118.70 115.12 1qjo s GLU 56 Ca -0.17 -0.90 -0.27 0.00 0.36 0.00 0.00 54.97 53.98 1qjo s GLU 56 Cb 0.03 0.40 0.09 0.00 0.26 0.00 0.00 34.13 34.90 1qjo s GLU 56 CO 0.26 -0.35 0.75 -0.48 -0.54 0.00 0.00 175.26 174.90 1qjo s LEU 57 N -2.86 -0.51 -0.39 2.70 2.34 -1.26 0.15 118.68 118.86 1qjo s LEU 57 Ca 0.06 0.22 0.09 0.00 0.06 0.00 0.00 54.13 54.56 1qjo s LEU 57 Cb 0.03 2.32 0.44 0.00 -0.56 0.00 0.00 46.19 48.42 1qjo s LEU 57 CO -0.10 -0.70 1.08 0.29 -1.06 0.00 0.00 176.35 175.86 1qjo n LYS 58 N 0.11 2.86 -4.06 1.48 5.02 -1.24 -4.98 118.16 117.35 1qjo n LYS 58 Ca -0.14 -4.15 -0.11 0.00 -2.02 0.00 0.00 58.31 51.88 1qjo n LYS 58 Cb 0.61 -2.00 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 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 -4.84 0.44 0.21 -0.18 -7.23 -1.26 -5.06 120.40 102.49 1qjo s VAL 59 Ca 0.43 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 1qjo s VAL 59 Cb 0.41 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 36.57 1qjo s VAL 59 CO -0.11 -0.54 0.11 -3.20 -0.31 0.00 0.00 175.10 171.06 1qjo n ASN 60 N 1.15 0.53 -4.59 4.85 2.85 -1.26 -5.03 115.26 113.75 1qjo n ASN 60 Ca -0.21 -2.22 -0.42 0.00 -0.11 0.00 0.00 54.58 51.62 1qjo n ASN 60 Cb 0.56 0.72 -0.05 0.00 1.24 0.00 0.00 39.78 42.25 1qjo n ASN 60 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1qjo s VAL 61 N -2.54 4.72 0.00 3.44 1.01 -1.26 -1.75 120.40 124.02 1qjo s VAL 61 Ca 0.16 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1qjo s VAL 61 Cb 0.01 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1qjo s VAL 61 CO 0.11 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.41 1qjo n GLY 62 N 4.44 1.07 3.92 4.51 0.00 0.26 -4.96 105.19 114.43 1qjo n GLY 62 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.52 3.14 -0.11 1.61 -1.08 -0.72 -4.63 116.67 113.38 1qjo s ASP 63 Ca 0.00 0.30 0.01 0.00 -0.52 0.00 0.00 52.55 52.34 1qjo s ASP 63 Cb 0.00 -0.38 -0.02 0.00 -1.46 0.00 0.00 42.92 41.07 1qjo s ASP 63 CO 0.00 -2.72 -0.14 -0.54 0.52 0.00 0.00 175.17 172.30 1qjo s LYS 64 N -5.86 3.13 0.27 4.34 -0.14 -1.26 -0.88 119.74 119.34 1qjo s LYS 64 Ca 0.73 -0.69 0.02 0.00 -1.36 0.00 0.00 55.97 54.67 1qjo s LYS 64 Cb -0.04 -2.55 -0.05 0.00 -1.68 0.00 0.00 37.83 33.50 1qjo s LYS 64 CO 0.53 0.33 0.09 0.54 -0.76 0.00 0.00 175.35 176.08 1qjo s VAL 65 N 0.03 0.72 -0.29 3.17 0.11 0.73 -4.98 120.40 119.89 1qjo s VAL 65 Ca -0.05 -2.00 -0.20 0.00 -2.93 0.00 0.00 61.98 56.80 1qjo s VAL 65 Cb -0.14 -2.67 0.17 0.00 -1.53 0.00 0.00 36.38 32.20 1qjo s VAL 65 CO 0.04 -0.01 1.19 -1.59 -3.33 0.00 0.00 175.10 171.41 1qjo s LYS 66 N -4.00 0.23 -0.34 1.54 -2.85 -1.26 -1.25 119.74 111.82 1qjo s LYS 66 Ca 0.37 0.34 -0.31 0.00 -1.00 0.00 0.00 55.97 55.37 1qjo s LYS 66 Cb 0.08 0.08 -0.13 0.00 -2.06 0.00 0.00 37.83 35.80 1qjo s LYS 66 CO 0.14 -0.04 1.21 -2.37 0.10 0.00 0.00 175.35 174.39 1qjo n THR 67 N 2.63 0.00 0.00 3.79 5.66 -1.25 -1.00 114.28 124.11 1qjo n THR 67 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1qjo n THR 67 Cb 0.57 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 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 3.54 2.35 3.75 1.09 0.00 0.11 -4.91 105.19 111.12 1qjo n GLY 68 Ca 0.27 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.08 6.63 -1.35 1.61 0.01 -0.17 -4.45 113.70 115.90 1qjo s SER 69 Ca 0.00 2.73 -0.13 0.00 1.31 0.00 0.00 55.95 59.87 1qjo s SER 69 Cb 0.00 -2.64 0.11 0.00 0.21 0.00 0.00 66.02 63.70 1qjo s SER 69 CO 0.00 -0.70 1.96 0.18 0.41 0.00 0.00 173.24 175.09 1qjo n LEU 70 N 1.75 6.39 -0.14 2.44 4.77 -1.26 -2.37 117.00 128.59 1qjo n LEU 70 Ca 0.05 -4.34 -0.06 0.00 -0.03 0.00 0.00 56.01 51.63 1qjo n LEU 70 Cb 0.40 -1.60 0.03 0.00 -2.33 0.00 0.00 43.42 39.93 1qjo n LEU 70 CO 0.61 1.06 1.02 0.16 -1.33 0.00 0.00 177.39 178.91 1qjo h ILE 71 N 4.15 1.00 -3.48 -0.08 -0.00 -1.66 -3.45 117.51 113.99 1qjo h ILE 71 Ca 0.46 -0.17 -0.41 0.00 -0.00 0.00 0.00 64.86 64.74 1qjo h ILE 71 Cb 0.69 0.47 -0.14 0.00 -0.00 0.00 0.00 36.82 37.84 1qjo h ILE 71 CO 1.67 0.09 -0.59 0.00 -0.00 0.00 0.00 178.15 179.32 1qjo s MET 72 N -6.14 1.56 -0.16 0.16 0.23 -1.20 -3.69 119.30 110.07 1qjo s MET 72 Ca -0.13 -1.88 0.02 0.00 -1.03 0.00 0.00 55.69 52.67 1qjo s MET 72 Cb 0.12 -0.40 0.01 0.00 -1.53 0.00 0.00 34.83 33.04 1qjo s MET 72 CO 0.73 -0.33 -0.20 0.42 -2.03 0.00 0.00 175.02 173.61 1qjo s ILE 73 N -3.56 2.18 0.38 3.16 1.01 0.12 0.74 121.20 125.24 1qjo s ILE 73 Ca 0.35 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 60.16 1qjo s ILE 73 Cb 0.07 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1qjo s ILE 73 CO 0.15 0.54 0.19 -0.36 0.00 0.00 0.00 174.94 175.45 1qjo s PHE 74 N 0.96 2.66 0.05 3.97 0.08 0.96 -0.72 117.98 125.94 1qjo s PHE 74 Ca -0.03 -0.48 -0.08 0.00 0.12 0.00 0.00 56.93 56.46 1qjo s PHE 74 Cb -0.15 -1.84 -0.00 0.00 -0.57 0.00 0.00 43.02 40.46 1qjo s PHE 74 CO -0.05 0.22 0.17 -2.00 -0.10 0.00 0.00 175.22 173.46 1qjo s GLU 75 N -3.90 0.69 -0.66 0.44 2.12 -0.25 0.71 118.70 117.85 1qjo s GLU 75 Ca 0.40 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 55.00 1qjo s GLU 75 Cb -0.00 0.28 0.43 0.00 0.26 0.00 0.00 34.13 35.10 1qjo s GLU 75 CO 0.23 -0.20 1.89 1.33 -0.54 0.00 0.00 175.26 177.98 1qjo n VAL 76 N 0.56 3.44 0.00 3.70 0.24 -1.26 -0.10 118.33 124.90 1qjo n VAL 76 Ca -0.18 -3.50 0.00 0.00 -2.04 0.00 0.00 64.34 58.62 1qjo n VAL 76 Cb 0.59 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 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 -0.78 0.00 -3.15 7.34 1.02 -1.26 -3.10 120.64 120.71 1qjo n GLU 77 Ca 0.57 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.76 1qjo n GLU 77 Cb 0.60 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1qjo n GLU 77 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1qjo s GLY 78 N -1.52 -1.19 -0.41 0.62 0.00 -1.26 -5.04 107.32 98.53 1qjo s GLY 78 Ca 0.00 1.29 0.03 0.00 0.00 0.00 0.00 44.72 46.04 1qjo s GLY 78 CO 0.00 3.69 1.81 0.00 0.00 0.00 0.00 173.10 178.60 1qjo n ALA 79 N 5.39 5.24 0.00 3.20 0.00 -1.18 -4.97 120.51 128.19 1qjo n ALA 79 Ca 0.04 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 50.98 1qjo n ALA 79 Cb 0.54 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50