#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 -3.81 2.03 0.24 -1.26 -4.28 118.33 111.25 1qjo n VAL 2 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 1qjo n VAL 2 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 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 1.49 0.29 7.34 1.02 0.71 -4.84 119.74 125.76 1qjo s LYS 3 Ca 0.00 -0.86 0.10 0.00 0.02 0.00 0.00 55.97 55.23 1qjo s LYS 3 Cb 0.00 0.49 -0.05 0.00 -0.52 0.00 0.00 37.83 37.75 1qjo s LYS 3 CO 0.00 -0.69 -0.08 -1.83 -0.92 0.00 0.00 175.35 171.83 1qjo s GLU 4 N -3.25 1.99 -0.37 1.68 -1.05 -1.26 0.57 118.70 117.02 1qjo s GLU 4 Ca 0.13 -1.64 0.01 0.00 -0.15 0.00 0.00 54.97 53.32 1qjo s GLU 4 Cb -0.03 -1.94 0.11 0.00 -0.44 0.00 0.00 34.13 31.83 1qjo s GLU 4 CO 0.05 0.29 0.14 0.08 0.95 0.00 0.00 175.26 176.77 1qjo s VAL 5 N -2.45 1.38 0.66 1.83 1.01 0.44 -4.62 120.40 118.65 1qjo s VAL 5 Ca 0.32 -2.03 -0.05 0.00 0.00 0.00 0.00 61.98 60.22 1qjo s VAL 5 Cb -0.04 -2.01 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1qjo s VAL 5 CO 0.18 -0.74 0.95 0.54 0.00 0.00 0.00 175.10 176.04 1qjo s ASN 6 N 1.00 5.06 -0.03 3.32 4.22 -1.26 -1.44 114.94 125.81 1qjo s ASN 6 Ca 0.13 0.45 -0.06 0.00 -2.14 0.00 0.00 52.86 51.24 1qjo s ASN 6 Cb -0.20 -1.21 -0.04 0.00 1.28 0.00 0.00 41.25 41.07 1qjo s ASN 6 CO -0.13 -1.41 0.22 -0.69 -2.04 0.00 0.00 177.10 173.05 1qjo s VAL 7 N -3.12 5.38 1.08 3.54 1.01 -0.89 -4.83 120.40 122.56 1qjo s VAL 7 Ca 0.58 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.49 1qjo s VAL 7 Cb -0.11 -3.52 0.26 0.00 0.00 0.00 0.00 36.38 33.01 1qjo s VAL 7 CO 0.44 0.43 1.05 -0.81 0.00 0.00 0.00 175.10 176.20 1qjo n PRO 8 N 1.31 -2.58 0.00 2.72 -0.04 -1.26 0.18 135.00 135.33 1qjo n PRO 8 Ca -0.13 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1qjo n PRO 8 Cb 0.53 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -4.51 0.00 -1.84 3.54 5.75 -1.26 -3.60 116.55 114.63 1qjo n ASP 9 Ca 0.14 -0.73 -0.08 0.00 -0.01 0.00 0.00 54.79 54.12 1qjo n ASP 9 Cb 0.54 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.52 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 1.77 2.60 0.00 2.12 -5.35 -1.26 -4.90 119.36 114.33 1qjo n ILE 10 Ca 0.00 -1.13 0.00 0.00 -0.27 0.00 0.00 62.75 61.35 1qjo n ILE 10 Cb 0.00 -1.82 0.00 0.00 -1.74 0.00 0.00 39.64 36.08 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 2.17 1.40 0.09 3.28 0.00 -1.26 -4.82 105.19 106.05 1qjo n GLY 11 Ca 0.28 -2.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.54 -1.01 0.00 -0.02 0.00 -1.26 -4.70 105.19 97.66 1qjo n GLY 12 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.79 0.00 -4.60 1.61 9.92 -1.26 -5.05 116.55 114.38 1qjo n ASP 13 Ca -0.27 -0.79 -0.30 0.00 -0.53 0.00 0.00 54.79 52.90 1qjo n ASP 13 Cb 1.10 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 41.48 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 -1.69 2.22 0.34 -1.24 -1.05 -1.26 -4.83 118.70 111.19 1qjo s GLU 14 Ca 0.00 -0.98 0.07 0.00 -0.15 0.00 0.00 54.97 53.91 1qjo s GLU 14 Cb 0.00 -2.36 -0.07 0.00 -0.44 0.00 0.00 34.13 31.27 1qjo s GLU 14 CO 0.00 0.52 -0.03 0.14 0.95 0.00 0.00 175.26 176.84 1qjo s VAL 15 N -1.23 1.77 -0.15 1.83 -7.23 -0.66 -4.71 120.40 110.02 1qjo s VAL 15 Ca 0.22 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1qjo s VAL 15 Cb -0.11 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 1qjo s VAL 15 CO 0.14 -0.14 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.09 1qjo s GLU 16 N -3.73 3.48 -0.11 4.82 2.02 -1.14 -0.55 118.70 123.48 1qjo s GLU 16 Ca 0.33 -0.62 -0.29 0.00 0.02 0.00 0.00 54.97 54.40 1qjo s GLU 16 Cb 0.06 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 1qjo s GLU 16 CO 0.15 0.17 1.55 0.08 0.02 0.00 0.00 175.26 177.23 1qjo s VAL 17 N 0.50 3.77 -0.23 2.63 1.01 -1.05 0.52 120.40 127.55 1qjo s VAL 17 Ca -0.07 0.93 -0.18 0.00 0.00 0.00 0.00 61.98 62.66 1qjo s VAL 17 Cb -0.15 -3.64 -0.15 0.00 0.00 0.00 0.00 36.38 32.45 1qjo s VAL 17 CO 0.04 -0.12 -0.05 0.35 0.00 0.00 0.00 175.10 175.31 1qjo n THR 18 N 5.63 1.52 -3.84 3.92 -2.24 0.87 -0.85 114.28 119.30 1qjo n THR 18 Ca 0.17 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.56 1qjo n THR 18 Cb 0.44 -2.02 -0.17 0.00 -2.10 0.00 0.00 70.33 66.47 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 -2.44 1.11 -1.25 -0.78 2.02 -1.10 -4.87 118.70 111.40 1qjo s GLU 19 Ca -0.32 -0.14 -0.06 0.00 0.02 0.00 0.00 54.97 54.48 1qjo s GLU 19 Cb 0.09 -1.41 0.18 0.00 0.10 0.00 0.00 34.13 33.09 1qjo s GLU 19 CO 0.52 -0.32 2.11 1.55 0.02 0.00 0.00 175.26 179.14 1qjo n VAL 20 N 5.02 5.17 -0.07 2.63 3.14 -1.26 -0.24 118.33 132.72 1qjo n VAL 20 Ca -0.10 -4.73 0.03 0.00 -2.96 0.00 0.00 64.34 56.58 1qjo n VAL 20 Cb 0.50 -2.06 0.06 0.00 -1.06 0.00 0.00 33.84 31.28 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 1.93 -0.02 -4.46 1.45 2.81 -1.04 -4.52 117.12 113.27 1qjo n MET 21 Ca 0.52 0.32 -0.24 0.00 -1.81 0.00 0.00 57.70 56.49 1qjo n MET 21 Cb 0.28 -0.52 -0.10 0.00 -0.71 0.00 0.00 33.22 32.18 1qjo n MET 21 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1qjo s VAL 22 N -4.94 2.38 0.00 2.03 1.01 -1.17 -5.07 120.40 114.64 1qjo s VAL 22 Ca -0.03 -2.37 0.00 0.00 0.00 0.00 0.00 61.98 59.58 1qjo s VAL 22 Cb 0.06 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1qjo s VAL 22 CO 0.17 -0.41 0.00 1.17 0.00 0.00 0.00 175.10 176.03 1qjo n LYS 23 N -0.60 1.26 -2.25 2.72 3.00 -1.26 -5.02 118.16 116.01 1qjo n LYS 23 Ca -0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.88 1qjo n LYS 23 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.60 1qjo n LYS 23 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1qjo s VAL 24 N 0.65 3.53 0.00 3.15 1.01 -1.26 -2.93 120.40 124.55 1qjo s VAL 24 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1qjo s VAL 24 Cb 0.00 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1qjo s VAL 24 CO 0.00 -1.31 0.00 0.61 0.00 0.00 0.00 175.10 174.40 1qjo n GLY 25 N 5.84 1.08 3.90 4.51 0.00 -0.92 -4.98 105.19 114.62 1qjo n GLY 25 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.76 6.49 -0.13 1.61 1.01 -1.15 -4.77 116.67 117.97 1qjo s ASP 26 Ca 0.00 0.72 -0.27 0.00 0.71 0.00 0.00 52.55 53.70 1qjo s ASP 26 Cb 0.00 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.77 1qjo s ASP 26 CO 0.00 -0.11 0.92 -1.59 0.21 0.00 0.00 175.17 174.60 1qjo s LYS 27 N -3.21 4.37 0.09 8.23 -2.85 -1.26 -1.27 119.74 123.84 1qjo s LYS 27 Ca 0.44 1.22 0.09 0.00 -1.00 0.00 0.00 55.97 56.71 1qjo s LYS 27 Cb -0.11 -3.55 -0.03 0.00 -2.06 0.00 0.00 37.83 32.07 1qjo s LYS 27 CO 0.27 -0.31 -0.23 0.08 0.10 0.00 0.00 175.35 175.27 1qjo s VAL 28 N 2.03 1.85 0.00 1.79 1.01 0.13 -5.00 120.40 122.22 1qjo s VAL 28 Ca 0.44 -1.49 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 1qjo s VAL 28 Cb -0.17 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1qjo s VAL 28 CO 0.15 0.08 0.23 0.00 0.00 0.00 0.00 175.10 175.56 1qjo s ALA 29 N -1.02 -0.54 0.92 5.51 0.00 -1.26 -0.07 121.76 125.30 1qjo s ALA 29 Ca 0.09 0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.94 1qjo s ALA 29 Cb -0.10 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1qjo s ALA 29 CO 0.04 -0.27 0.09 0.00 0.00 0.00 0.00 175.76 175.62 1qjo n ALA 30 N 1.19 -3.24 0.00 0.00 0.00 -1.21 -2.10 120.51 115.15 1qjo n ALA 30 Ca -0.21 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1qjo n ALA 30 Cb 0.56 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.40 0.00 -1.68 0.00 0.00 -1.26 -4.76 120.64 112.54 1qjo n GLU 31 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.92 1qjo n GLU 31 Cb 0.54 -0.12 -0.04 0.00 0.00 0.00 0.00 31.44 31.81 1qjo n GLU 31 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1qjo s GLN 32 N 0.00 2.08 -0.14 5.31 -0.21 -0.89 -4.53 119.66 121.27 1qjo s GLN 32 Ca 0.00 0.87 -0.01 0.00 0.02 0.00 0.00 55.36 56.24 1qjo s GLN 32 Cb 0.00 -4.65 -0.05 0.00 1.00 0.00 0.00 33.01 29.31 1qjo s GLN 32 CO 0.00 -3.53 0.86 -1.13 -2.12 0.00 0.00 175.29 169.37 1qjo n SER 33 N 16.02 -1.33 -0.11 5.90 3.41 -1.26 -2.53 113.62 133.73 1qjo n SER 33 Ca 0.37 -0.87 -0.06 0.00 -0.26 0.00 0.00 58.87 58.06 1qjo n SER 33 Cb 0.50 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 64.05 1qjo n SER 33 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1qjo h LEU 34 N 6.58 -0.61 -7.75 1.04 3.38 0.09 -3.42 115.31 114.62 1qjo h LEU 34 Ca 0.01 0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 1qjo h LEU 34 Cb 0.72 0.33 -0.24 0.00 0.09 0.00 0.00 40.66 41.56 1qjo h LEU 34 CO 0.79 -0.21 -0.62 0.27 0.09 0.00 0.00 178.44 178.76 1qjo s ILE 35 N -6.15 0.04 -0.12 1.22 -4.36 -0.96 -2.50 121.20 108.37 1qjo s ILE 35 Ca -0.14 -0.35 -0.05 0.00 -0.26 0.00 0.00 60.65 59.84 1qjo s ILE 35 Cb 0.14 -0.21 -0.04 0.00 1.25 0.00 0.00 42.46 43.60 1qjo s ILE 35 CO 0.70 -0.19 0.08 -0.89 0.24 0.00 0.00 174.94 174.88 1qjo s THR 36 N -0.60 5.02 0.19 8.37 2.01 0.66 -0.80 115.64 130.50 1qjo s THR 36 Ca -0.07 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1qjo s THR 36 Cb -0.04 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 1qjo s THR 36 CO 0.00 0.59 -0.06 0.68 -0.69 0.00 0.00 174.62 175.14 1qjo s VAL 37 N -0.76 1.18 0.00 3.82 -7.23 0.10 -0.09 120.40 117.42 1qjo s VAL 37 Ca 0.13 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1qjo s VAL 37 Cb -0.12 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1qjo s VAL 37 CO 0.03 -0.55 0.00 1.21 -0.31 0.00 0.00 175.10 175.48 1qjo n GLU 38 N -0.31 3.19 0.00 4.82 2.13 0.18 -0.62 120.64 130.03 1qjo n GLU 38 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1qjo n GLU 38 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 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 4.61 0.26 3.42 8.31 0.00 -1.25 -2.90 105.19 117.64 1qjo n GLY 39 Ca 0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.27 1qjo n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qjo n ASP 40 N 0.00 -0.31 -2.21 1.61 2.03 -1.26 -3.85 116.55 112.56 1qjo n ASP 40 Ca 0.00 -1.29 -0.06 0.00 0.52 0.00 0.00 54.79 53.96 1qjo n ASP 40 Cb 0.00 -1.03 -0.01 0.00 -0.72 0.00 0.00 41.12 39.36 1qjo n ASP 40 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1qjo n LYS 41 N 6.54 -2.02 -3.90 -0.67 4.01 -1.26 -4.87 118.16 115.98 1qjo n LYS 41 Ca 0.43 0.02 -0.11 0.00 -0.51 0.00 0.00 58.31 58.15 1qjo n LYS 41 Cb 0.35 -3.07 -0.10 0.00 -0.51 0.00 0.00 35.03 31.70 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 -1.60 -0.21 -0.17 7.82 0.00 -1.25 -5.15 121.76 121.21 1qjo s ALA 42 Ca 0.12 -0.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 1qjo s ALA 42 Cb -0.07 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1qjo s ALA 42 CO 0.15 -0.21 0.01 -1.54 0.00 0.00 0.00 175.76 174.17 1qjo s SER 43 N -1.46 5.20 0.14 0.00 1.04 -1.26 -3.78 113.70 113.58 1qjo s SER 43 Ca -0.14 -0.02 0.09 0.00 0.48 0.00 0.00 55.95 56.35 1qjo s SER 43 Cb -0.08 -1.86 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 1qjo s SER 43 CO 0.01 0.18 -0.21 -0.04 0.98 0.00 0.00 173.24 174.16 1qjo s MET 44 N 0.33 1.25 0.14 4.02 -1.94 0.21 -5.01 119.30 118.30 1qjo s MET 44 Ca -0.00 -1.32 0.09 0.00 -1.71 0.00 0.00 55.69 52.75 1qjo s MET 44 Cb -0.13 -1.46 -0.04 0.00 2.01 0.00 0.00 34.83 35.21 1qjo s MET 44 CO 0.02 0.32 -0.20 -1.21 -0.01 0.00 0.00 175.02 173.93 1qjo s GLU 45 N -2.36 1.24 -0.23 2.03 2.02 -1.26 0.01 118.70 120.15 1qjo s GLU 45 Ca 0.12 -1.32 0.02 0.00 0.02 0.00 0.00 54.97 53.81 1qjo s GLU 45 Cb -0.08 -1.42 0.05 0.00 0.10 0.00 0.00 34.13 32.78 1qjo s GLU 45 CO 0.06 0.31 -0.12 0.08 0.02 0.00 0.00 175.26 175.61 1qjo s VAL 46 N -1.64 1.94 0.81 2.63 1.01 0.02 -4.95 120.40 120.23 1qjo s VAL 46 Ca 0.13 -1.32 -0.12 0.00 0.00 0.00 0.00 61.98 60.67 1qjo s VAL 46 Cb -0.08 -2.01 0.09 0.00 0.00 0.00 0.00 36.38 34.38 1qjo s VAL 46 CO 0.06 0.10 1.17 -2.16 0.00 0.00 0.00 175.10 174.27 1qjo s PRO 47 N 1.24 1.82 -0.36 2.72 0.04 -1.26 0.74 135.00 139.94 1qjo s PRO 47 Ca -0.04 -0.03 -0.28 0.00 0.04 0.00 0.00 61.00 60.69 1qjo s PRO 47 Cb -0.18 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1qjo s PRO 47 CO -0.07 -1.65 2.05 0.00 0.04 0.00 0.00 177.00 177.37 1qjo s ALA 48 N -3.56 2.50 0.31 8.56 0.00 -1.05 -4.48 121.76 124.03 1qjo s ALA 48 Ca 0.63 0.26 0.22 0.00 0.00 0.00 0.00 51.96 53.07 1qjo s ALA 48 Cb -0.10 -4.13 1.06 0.00 0.00 0.00 0.00 23.12 19.95 1qjo s ALA 48 CO 0.49 -3.19 1.14 -0.35 0.00 0.00 0.00 175.76 173.85 1qjo n PRO 49 N 8.74 -0.03 -2.74 0.00 -0.04 -1.26 -3.91 135.00 135.76 1qjo n PRO 49 Ca 0.27 0.94 -0.06 0.00 -0.04 0.00 0.00 63.50 64.60 1qjo n PRO 49 Cb 0.48 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 32.15 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 -4.27 -1.54 -3.23 0.54 1.16 -1.26 -4.90 117.46 103.95 1qjo n PHE 50 Ca 0.29 -1.19 -0.21 0.00 -1.87 0.00 0.00 57.45 54.47 1qjo n PHE 50 Cb 1.09 0.47 0.00 0.00 -1.61 0.00 0.00 39.48 39.44 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 -1.85 3.99 0.00 1.98 0.00 -1.26 -3.34 121.76 121.28 1qjo s ALA 51 Ca 0.12 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1qjo s ALA 51 Cb -0.02 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1qjo s ALA 51 CO 0.09 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1qjo n GLY 52 N -1.86 0.49 3.59 0.00 0.00 0.90 -4.22 105.19 104.09 1qjo n GLY 52 Ca 0.01 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.21 2.36 0.05 1.61 -7.23 -0.60 0.20 120.40 115.59 1qjo s VAL 53 Ca 0.00 -2.09 -0.08 0.00 -1.81 0.00 0.00 61.98 58.00 1qjo s VAL 53 Cb 0.00 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 1qjo s VAL 53 CO 0.00 -0.18 0.33 -0.69 -0.31 0.00 0.00 175.10 174.25 1qjo s VAL 54 N -2.58 5.21 -0.07 1.32 1.01 -0.40 -0.78 120.40 124.11 1qjo s VAL 54 Ca 0.34 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 1qjo s VAL 54 Cb 0.02 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1qjo s VAL 54 CO 0.18 0.31 -0.20 1.17 0.00 0.00 0.00 175.10 176.55 1qjo n LYS 55 N 0.94 0.31 -3.83 2.72 3.00 0.12 -2.15 118.16 119.26 1qjo n LYS 55 Ca -0.09 0.12 -0.06 0.00 -0.00 0.00 0.00 58.31 58.28 1qjo n LYS 55 Cb 0.52 -1.03 -0.02 0.00 0.00 0.00 0.00 35.03 34.51 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 -2.47 1.68 -0.01 1.64 2.12 -1.15 -4.58 118.70 115.92 1qjo s GLU 56 Ca -0.17 -0.92 -0.28 0.00 0.36 0.00 0.00 54.97 53.96 1qjo s GLU 56 Cb 0.02 0.57 0.09 0.00 0.26 0.00 0.00 34.13 35.08 1qjo s GLU 56 CO 0.25 -0.77 0.81 -0.48 -0.54 0.00 0.00 175.26 174.53 1qjo s LEU 57 N -2.92 -0.47 -0.39 2.70 2.34 -1.26 -0.04 118.68 118.64 1qjo s LEU 57 Ca 0.11 0.22 0.12 0.00 0.06 0.00 0.00 54.13 54.64 1qjo s LEU 57 Cb -0.05 2.21 0.43 0.00 -0.56 0.00 0.00 46.19 48.22 1qjo s LEU 57 CO 0.06 -0.63 0.99 0.29 -1.06 0.00 0.00 176.35 175.99 1qjo n LYS 58 N 0.15 2.13 -4.50 1.48 4.01 -1.25 -5.05 118.16 115.14 1qjo n LYS 58 Ca -0.13 -3.85 -0.23 0.00 -0.51 0.00 0.00 58.31 53.59 1qjo n LYS 58 Cb 0.61 -1.73 -0.10 0.00 -0.51 0.00 0.00 35.03 33.29 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 -4.06 1.32 0.15 -0.18 -7.23 -1.26 -5.10 120.40 104.04 1qjo s VAL 59 Ca 0.38 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1qjo s VAL 59 Cb 0.42 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1qjo s VAL 59 CO -0.07 0.00 0.06 0.20 -0.31 0.00 0.00 175.10 174.98 1qjo s ASN 60 N -3.55 0.52 -0.55 4.85 0.01 -1.26 -5.08 114.94 109.88 1qjo s ASN 60 Ca 0.35 -1.23 -0.18 0.00 -0.71 0.00 0.00 52.86 51.08 1qjo s ASN 60 Cb 0.08 0.26 0.10 0.00 0.41 0.00 0.00 41.25 42.10 1qjo s ASN 60 CO 0.16 -0.71 0.62 -0.69 -1.51 0.00 0.00 177.10 174.97 1qjo s VAL 61 N -3.97 4.94 0.00 1.60 1.01 -1.26 -2.72 120.40 120.00 1qjo s VAL 61 Ca 0.26 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1qjo s VAL 61 Cb 0.07 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1qjo s VAL 61 CO 0.04 -0.96 0.00 0.61 0.00 0.00 0.00 175.10 174.79 1qjo n GLY 62 N 5.25 1.99 3.87 4.51 0.00 -0.03 -4.95 105.19 115.82 1qjo n GLY 62 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1qjo n GLY 62 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qjo s ASP 63 N -2.00 4.52 -0.15 1.61 -4.77 -1.10 -4.91 116.67 109.86 1qjo s ASP 63 Ca 0.00 -1.35 -0.03 0.00 -3.30 0.00 0.00 52.55 47.87 1qjo s ASP 63 Cb 0.00 0.47 -0.03 0.00 -1.09 0.00 0.00 42.92 42.28 1qjo s ASP 63 CO 0.00 -1.06 -0.05 -0.54 0.70 0.00 0.00 175.17 174.22 1qjo s LYS 64 N -4.20 3.60 0.06 2.11 -0.14 -1.26 -2.53 119.74 117.38 1qjo s LYS 64 Ca 0.27 -0.54 0.06 0.00 -1.36 0.00 0.00 55.97 54.40 1qjo s LYS 64 Cb -0.01 -2.86 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 1qjo s LYS 64 CO 0.17 0.26 -0.11 0.08 -0.76 0.00 0.00 175.35 174.99 1qjo s VAL 65 N 0.31 3.33 -0.08 3.17 1.01 0.29 -4.95 120.40 123.47 1qjo s VAL 65 Ca -0.05 -1.11 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 1qjo s VAL 65 Cb -0.14 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1qjo s VAL 65 CO 0.03 0.24 0.24 -0.75 0.00 0.00 0.00 175.10 174.86 1qjo s LYS 66 N -1.82 0.31 -0.06 2.72 2.47 -1.26 -1.66 119.74 120.44 1qjo s LYS 66 Ca 0.19 0.27 -0.37 0.00 -1.56 0.00 0.00 55.97 54.50 1qjo s LYS 66 Cb -0.11 0.15 -0.15 0.00 -1.46 0.00 0.00 37.83 36.26 1qjo s LYS 66 CO 0.10 -0.04 1.64 -2.37 0.16 0.00 0.00 175.35 174.84 1qjo n THR 67 N 2.80 0.24 0.00 3.43 5.66 -1.24 -1.93 114.28 123.24 1qjo n THR 67 Ca -0.14 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1qjo n THR 67 Cb 0.58 -1.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 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 3.67 3.36 3.01 1.09 0.00 0.13 -4.88 105.19 111.57 1qjo n GLY 68 Ca 0.22 -1.04 -0.55 0.00 0.00 0.00 0.00 46.02 44.65 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 0.02 0.94 -3.33 1.61 2.88 -0.81 -4.03 113.62 110.90 1qjo n SER 69 Ca 0.00 0.92 -0.32 0.00 -1.33 0.00 0.00 58.87 58.14 1qjo n SER 69 Cb 0.00 -0.72 -0.02 0.00 -0.75 0.00 0.00 64.21 62.72 1qjo n SER 69 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qjo n LEU 70 N 3.61 6.31 -0.19 2.46 4.77 -1.26 -2.11 117.00 130.59 1qjo n LEU 70 Ca 0.28 -3.51 -0.11 0.00 -0.03 0.00 0.00 56.01 52.65 1qjo n LEU 70 Cb -0.05 -1.31 -0.06 0.00 -2.33 0.00 0.00 43.42 39.67 1qjo n LEU 70 CO 0.73 1.04 0.54 0.40 -1.33 0.00 0.00 177.39 178.77 1qjo h ILE 71 N 3.47 0.05 -4.13 -0.08 1.08 -1.54 -3.45 117.51 112.90 1qjo h ILE 71 Ca 0.62 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.97 1qjo h ILE 71 Cb 0.30 0.05 -0.15 0.00 -3.07 0.00 0.00 36.82 33.96 1qjo h ILE 71 CO 1.66 0.00 -0.58 0.00 -0.69 0.00 0.00 178.15 178.54 1qjo s MET 72 N -5.75 0.72 -0.15 2.37 0.23 -1.06 -3.80 119.30 111.86 1qjo s MET 72 Ca -0.14 -1.17 -0.04 0.00 -1.03 0.00 0.00 55.69 53.30 1qjo s MET 72 Cb 0.11 0.25 -0.03 0.00 -1.53 0.00 0.00 34.83 33.63 1qjo s MET 72 CO 0.64 -0.18 -0.00 0.96 -2.03 0.00 0.00 175.02 174.41 1qjo s ILE 73 N -3.92 4.23 0.34 3.16 -4.36 0.94 0.17 121.20 121.76 1qjo s ILE 73 Ca 0.08 -0.24 0.08 0.00 -0.26 0.00 0.00 60.65 60.31 1qjo s ILE 73 Cb 0.07 -2.85 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 1qjo s ILE 73 CO -0.09 0.50 0.18 -0.36 0.24 0.00 0.00 174.94 175.42 1qjo s PHE 74 N 0.13 2.75 -0.28 1.37 0.40 0.19 0.12 117.98 122.66 1qjo s PHE 74 Ca 0.01 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1qjo s PHE 74 Cb -0.13 -1.69 0.15 0.00 0.51 0.00 0.00 43.02 41.86 1qjo s PHE 74 CO 0.02 0.29 0.39 -2.00 0.70 0.00 0.00 175.22 174.62 1qjo s GLU 75 N -3.89 0.39 0.00 0.44 2.12 0.04 0.26 118.70 118.06 1qjo s GLU 75 Ca 0.39 0.17 -0.00 0.00 0.36 0.00 0.00 54.97 55.88 1qjo s GLU 75 Cb -0.03 -0.38 -0.00 0.00 0.26 0.00 0.00 34.13 33.98 1qjo s GLU 75 CO 0.24 -0.96 0.44 1.33 -0.54 0.00 0.00 175.26 175.76 1qjo n VAL 76 N 5.35 0.00 0.00 3.70 0.24 -1.26 -1.55 118.33 124.81 1qjo n VAL 76 Ca -0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1qjo n VAL 76 Cb 0.49 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 1qjo n VAL 76 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1qjo n GLU 77 N 3.60 0.00 0.00 7.34 0.00 -1.26 -4.88 120.64 125.44 1qjo n GLU 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1qjo n GLU 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1qjo n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qjo n GLY 78 N -0.28 -1.29 0.00 8.31 0.00 -1.26 -4.54 105.19 106.13 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 -0.13 0.00 -0.94 4.61 0.00 -1.26 -5.02 120.51 117.76 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 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50