#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 -4.43 2.03 0.24 -1.26 -4.95 118.33 109.95 1qjo n VAL 2 Ca 0.00 -0.27 -0.34 0.00 -2.04 0.00 0.00 64.34 61.69 1qjo n VAL 2 Cb 0.00 -0.45 -0.14 0.00 -1.47 0.00 0.00 33.84 31.79 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 -3.16 3.46 0.40 7.34 -0.14 0.17 -4.98 119.74 122.82 1qjo s LYS 3 Ca 0.52 -0.62 -0.26 0.00 -1.36 0.00 0.00 55.97 54.24 1qjo s LYS 3 Cb -0.18 -2.81 -0.09 0.00 -1.68 0.00 0.00 37.83 33.07 1qjo s LYS 3 CO 0.71 0.10 1.27 -1.21 -0.76 0.00 0.00 175.35 175.47 1qjo s GLU 4 N 0.67 4.00 -0.30 1.68 8.01 -1.26 0.79 118.70 132.29 1qjo s GLU 4 Ca -0.04 2.09 -0.00 0.00 0.01 0.00 0.00 54.97 57.02 1qjo s GLU 4 Cb -0.15 -2.75 0.06 0.00 -4.31 0.00 0.00 34.13 26.98 1qjo s GLU 4 CO 0.02 -0.44 -0.01 0.08 0.01 0.00 0.00 175.26 174.91 1qjo s VAL 5 N -1.29 2.72 0.40 2.63 1.01 0.28 -4.69 120.40 121.46 1qjo s VAL 5 Ca 0.57 -1.57 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1qjo s VAL 5 Cb -0.36 -2.63 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 1qjo s VAL 5 CO 0.47 -0.16 0.50 0.54 0.00 0.00 0.00 175.10 176.45 1qjo s ASN 6 N 1.23 5.59 -0.08 3.32 4.22 -1.26 -0.51 114.94 127.44 1qjo s ASN 6 Ca -0.04 -0.44 -0.09 0.00 -2.14 0.00 0.00 52.86 50.15 1qjo s ASN 6 Cb -0.20 -0.77 -0.05 0.00 1.28 0.00 0.00 41.25 41.51 1qjo s ASN 6 CO -0.03 -0.65 0.23 -0.69 -2.04 0.00 0.00 177.10 173.91 1qjo s VAL 7 N -2.34 5.36 0.15 3.54 1.01 -0.99 -4.76 120.40 122.37 1qjo s VAL 7 Ca 0.51 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1qjo s VAL 7 Cb -0.08 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.83 1qjo s VAL 7 CO 0.31 0.60 0.16 -0.81 0.00 0.00 0.00 175.10 175.37 1qjo n PRO 8 N 1.92 -0.83 -2.25 2.72 -0.04 -1.26 -1.90 135.00 133.36 1qjo n PRO 8 Ca -0.18 -0.25 -0.40 0.00 -0.04 0.00 0.00 63.50 62.63 1qjo n PRO 8 Cb 0.54 -0.20 -0.03 0.00 -0.04 0.00 0.00 33.50 33.77 1qjo n PRO 8 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1qjo s ASP 9 N -1.80 5.73 -0.26 3.54 -4.77 -1.26 -3.81 116.67 114.04 1qjo s ASP 9 Ca 0.10 0.19 0.08 0.00 -3.30 0.00 0.00 52.55 49.62 1qjo s ASP 9 Cb -0.01 -2.54 0.45 0.00 -1.09 0.00 0.00 42.92 39.73 1qjo s ASP 9 CO 0.07 -2.05 1.20 2.30 0.70 0.00 0.00 175.17 177.40 1qjo n ILE 10 N 6.94 2.42 0.00 2.11 -5.35 -1.26 -5.08 119.36 119.14 1qjo n ILE 10 Ca 0.14 -3.86 0.00 0.00 -0.27 0.00 0.00 62.75 58.77 1qjo n ILE 10 Cb 0.50 -0.81 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 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 -0.86 0.32 0.16 3.28 0.00 -1.26 -4.80 105.19 102.03 1qjo n GLY 11 Ca 0.35 -1.85 -0.04 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.07 3.70 -0.02 0.00 -1.26 -5.00 105.19 102.54 1qjo n GLY 12 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1qjo n GLY 12 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qjo s ASP 13 N -4.65 2.27 0.17 1.61 -4.77 -1.26 -5.04 116.67 105.00 1qjo s ASP 13 Ca -0.07 0.82 0.05 0.00 -3.30 0.00 0.00 52.55 50.05 1qjo s ASP 13 Cb 0.02 -1.25 -0.04 0.00 -1.09 0.00 0.00 42.92 40.56 1qjo s ASP 13 CO 0.11 -3.31 0.18 -1.83 0.70 0.00 0.00 175.17 171.03 1qjo s GLU 14 N -5.30 3.05 0.37 2.11 -1.05 -1.26 -4.90 118.70 111.72 1qjo s GLU 14 Ca 0.68 -0.81 0.05 0.00 -0.15 0.00 0.00 54.97 54.74 1qjo s GLU 14 Cb -0.13 -2.73 -0.07 0.00 -0.44 0.00 0.00 34.13 30.76 1qjo s GLU 14 CO 0.55 0.49 0.03 0.14 0.95 0.00 0.00 175.26 177.42 1qjo s VAL 15 N -1.78 1.61 0.34 1.83 -7.23 -0.21 -4.82 120.40 110.14 1qjo s VAL 15 Ca 0.32 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.57 1qjo s VAL 15 Cb -0.10 -2.89 -0.05 0.00 0.56 0.00 0.00 36.38 33.90 1qjo s VAL 15 CO 0.25 -0.01 0.10 -1.83 -0.31 0.00 0.00 175.10 173.30 1qjo s GLU 16 N -3.80 2.27 -0.30 4.82 1.03 -1.21 0.38 118.70 121.89 1qjo s GLU 16 Ca 0.36 -1.62 -0.11 0.00 0.03 0.00 0.00 54.97 53.63 1qjo s GLU 16 Cb 0.09 -2.09 -0.03 0.00 -0.80 0.00 0.00 34.13 31.30 1qjo s GLU 16 CO 0.17 0.12 0.18 0.08 -1.33 0.00 0.00 175.26 174.48 1qjo s VAL 17 N -2.46 5.06 -0.26 1.83 1.01 0.80 -0.70 120.40 125.69 1qjo s VAL 17 Ca 0.37 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 1qjo s VAL 17 Cb -0.02 -3.49 -0.13 0.00 0.00 0.00 0.00 36.38 32.74 1qjo s VAL 17 CO 0.21 0.15 -0.23 0.35 0.00 0.00 0.00 175.10 175.58 1qjo n THR 18 N 5.04 1.53 -3.78 3.92 -2.24 0.23 0.91 114.28 119.90 1qjo n THR 18 Ca -0.14 -0.28 -0.30 0.00 -2.27 0.00 0.00 64.05 61.07 1qjo n THR 18 Cb 0.51 -1.94 -0.14 0.00 -2.10 0.00 0.00 70.33 66.65 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 -2.49 1.12 -0.78 -0.78 2.02 -0.79 -4.82 118.70 112.18 1qjo s GLU 19 Ca -0.36 -1.66 -0.17 0.00 0.02 0.00 0.00 54.97 52.81 1qjo s GLU 19 Cb 0.12 -2.38 -0.13 0.00 0.10 0.00 0.00 34.13 31.85 1qjo s GLU 19 CO 0.51 -1.06 1.95 1.55 0.02 0.00 0.00 175.26 178.23 1qjo n VAL 20 N 4.13 1.92 -0.21 2.63 3.14 -1.26 -1.20 118.33 127.48 1qjo n VAL 20 Ca 0.04 -1.47 -0.03 0.00 -2.96 0.00 0.00 64.34 59.92 1qjo n VAL 20 Cb 0.38 -2.23 -0.02 0.00 -1.06 0.00 0.00 33.84 30.91 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 6.10 -0.18 -2.30 1.45 0.00 -1.17 -4.64 117.12 116.38 1qjo n MET 21 Ca 0.46 0.78 -0.25 0.00 0.00 0.00 0.00 57.70 58.70 1qjo n MET 21 Cb 0.31 -1.15 0.08 0.00 0.00 0.00 0.00 33.22 32.45 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 -5.36 2.30 0.25 2.03 -7.23 -1.12 -5.07 120.40 106.20 1qjo s VAL 22 Ca -0.07 -0.36 0.01 0.00 -1.81 0.00 0.00 61.98 59.76 1qjo s VAL 22 Cb 0.08 -2.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 1qjo s VAL 22 CO 0.34 0.00 0.09 -0.54 -0.31 0.00 0.00 175.10 174.67 1qjo s LYS 23 N -5.20 1.38 -0.29 4.82 3.01 -1.26 -5.07 119.74 117.14 1qjo s LYS 23 Ca 0.61 -1.74 -0.28 0.00 -1.01 0.00 0.00 55.97 53.55 1qjo s LYS 23 Cb -0.09 -0.28 -0.03 0.00 -1.01 0.00 0.00 37.83 36.42 1qjo s LYS 23 CO 0.44 -0.27 1.92 0.08 0.51 0.00 0.00 175.35 178.03 1qjo s VAL 24 N -3.73 3.34 0.00 3.17 1.01 -1.26 -1.98 120.40 120.94 1qjo s VAL 24 Ca 0.36 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1qjo s VAL 24 Cb 0.08 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1qjo s VAL 24 CO 0.13 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1qjo n GLY 25 N 5.49 1.27 3.78 4.51 0.00 0.11 -4.99 105.19 115.36 1qjo n GLY 25 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1qjo n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qjo s ASP 26 N -2.00 5.31 -0.15 1.61 -1.08 -0.84 -4.78 116.67 114.74 1qjo s ASP 26 Ca 0.00 -0.32 -0.29 0.00 -0.52 0.00 0.00 52.55 51.42 1qjo s ASP 26 Cb 0.00 -1.29 -0.01 0.00 -1.46 0.00 0.00 42.92 40.17 1qjo s ASP 26 CO 0.00 -0.02 1.09 -1.59 0.52 0.00 0.00 175.17 175.17 1qjo s LYS 27 N -3.71 4.33 -0.37 4.34 -2.85 -1.26 0.18 119.74 120.40 1qjo s LYS 27 Ca 0.32 1.47 0.02 0.00 -1.00 0.00 0.00 55.97 56.78 1qjo s LYS 27 Cb -0.08 -3.61 0.11 0.00 -2.06 0.00 0.00 37.83 32.19 1qjo s LYS 27 CO 0.24 -0.50 0.12 0.08 0.10 0.00 0.00 175.35 175.38 1qjo s VAL 28 N 2.67 1.74 0.25 1.79 1.01 0.16 -4.94 120.40 123.08 1qjo s VAL 28 Ca 0.49 -2.21 0.08 0.00 0.00 0.00 0.00 61.98 60.34 1qjo s VAL 28 Cb -0.19 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1qjo s VAL 28 CO 0.14 -0.70 0.15 0.00 0.00 0.00 0.00 175.10 174.70 1qjo s ALA 29 N 0.89 3.49 1.26 5.51 0.00 -1.26 0.11 121.76 131.75 1qjo s ALA 29 Ca 0.12 -1.47 -0.18 0.00 0.00 0.00 0.00 51.96 50.44 1qjo s ALA 29 Cb -0.20 -1.18 0.28 0.00 0.00 0.00 0.00 23.12 22.02 1qjo s ALA 29 CO -0.11 0.25 0.71 0.00 0.00 0.00 0.00 175.76 176.62 1qjo n ALA 30 N -1.12 -3.70 0.00 0.00 0.00 -1.23 -3.01 120.51 111.46 1qjo n ALA 30 Ca -0.08 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1qjo n ALA 30 Cb 0.58 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 -4.42 0.00 -3.59 0.00 -0.58 -1.26 -4.83 120.64 105.96 1qjo n GLU 31 Ca 0.06 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.42 1qjo n GLU 31 Cb 0.55 -3.22 -0.06 0.00 -0.57 0.00 0.00 31.44 28.15 1qjo n GLU 31 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1qjo s GLN 32 N 0.00 3.82 0.15 3.49 1.03 -1.16 -4.88 119.66 122.10 1qjo s GLN 32 Ca 0.00 0.27 -0.31 0.00 0.04 0.00 0.00 55.36 55.36 1qjo s GLN 32 Cb 0.00 -3.22 -0.10 0.00 0.03 0.00 0.00 33.01 29.72 1qjo s GLN 32 CO 0.00 0.69 1.63 0.45 -2.54 0.00 0.00 175.29 175.52 1qjo s SER 33 N -0.99 6.55 -0.08 12.60 0.15 -1.26 -1.22 113.70 129.44 1qjo s SER 33 Ca 0.21 2.64 -0.06 0.00 0.70 0.00 0.00 55.95 59.44 1qjo s SER 33 Cb -0.15 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.55 1qjo s SER 33 CO 0.11 -0.88 -0.12 0.18 1.20 0.00 0.00 173.24 173.73 1qjo n LEU 34 N 4.49 1.01 -3.90 3.45 4.77 0.15 -4.67 117.00 122.30 1qjo n LEU 34 Ca 0.15 0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 56.38 1qjo n LEU 34 Cb 0.38 -0.69 -0.14 0.00 -2.33 0.00 0.00 43.42 40.65 1qjo n LEU 34 CO 0.62 -0.46 -0.37 0.27 -1.33 0.00 0.00 177.39 176.12 1qjo s ILE 35 N -1.78 0.14 -0.13 -0.08 -4.36 -0.86 -2.78 121.20 111.35 1qjo s ILE 35 Ca -0.10 -0.08 -0.17 0.00 -0.26 0.00 0.00 60.65 60.04 1qjo s ILE 35 Cb 0.01 -0.13 -0.04 0.00 1.25 0.00 0.00 42.46 43.55 1qjo s ILE 35 CO 0.15 0.04 0.41 -0.89 0.24 0.00 0.00 174.94 174.89 1qjo s THR 36 N -0.05 5.23 0.27 8.37 2.01 -0.34 -1.06 115.64 130.07 1qjo s THR 36 Ca 0.01 0.81 0.06 0.00 0.31 0.00 0.00 61.69 62.88 1qjo s THR 36 Cb -0.01 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 1qjo s THR 36 CO -0.00 0.35 -0.05 0.68 -0.69 0.00 0.00 174.62 174.91 1qjo s VAL 37 N 0.56 1.56 0.00 3.82 -7.23 -0.40 -0.60 120.40 118.11 1qjo s VAL 37 Ca 0.23 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1qjo s VAL 37 Cb -0.14 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1qjo s VAL 37 CO 0.08 -0.31 0.00 1.21 -0.31 0.00 0.00 175.10 175.77 1qjo n GLU 38 N -0.56 1.40 0.00 4.82 2.13 0.13 -0.90 120.64 127.66 1qjo n GLU 38 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1qjo n GLU 38 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.34 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 2.13 -1.62 3.77 8.31 0.00 -1.25 -3.33 105.19 113.20 1qjo n GLY 39 Ca 0.00 0.58 -0.19 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.34 0.00 1.61 2.03 -1.26 -4.37 116.55 113.22 1qjo n ASP 40 Ca 0.00 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.75 1qjo n ASP 40 Cb 0.00 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1qjo n ASP 40 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1qjo n LYS 41 N -2.70 0.00 -3.65 -0.67 -0.00 -1.26 -5.18 118.16 104.71 1qjo n LYS 41 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.22 1qjo n LYS 41 Cb 0.25 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.21 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 -2.23 0.10 0.58 0.00 -1.26 -5.16 121.76 113.78 1qjo s ALA 42 Ca 0.00 1.68 -0.23 0.00 0.00 0.00 0.00 51.96 53.41 1qjo s ALA 42 Cb 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 23.12 21.26 1qjo s ALA 42 CO 0.00 -0.10 0.70 -1.54 0.00 0.00 0.00 175.76 174.82 1qjo s SER 43 N -0.06 7.22 -0.05 0.00 1.04 -1.26 -3.91 113.70 116.68 1qjo s SER 43 Ca 0.08 1.45 -0.01 0.00 0.48 0.00 0.00 55.95 57.95 1qjo s SER 43 Cb -0.05 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.66 1qjo s SER 43 CO -0.16 0.18 0.01 -0.04 0.98 0.00 0.00 173.24 174.21 1qjo s MET 44 N -0.80 0.34 0.00 4.02 -1.94 -0.08 -5.01 119.30 115.83 1qjo s MET 44 Ca 0.34 0.14 -0.10 0.00 -1.71 0.00 0.00 55.69 54.36 1qjo s MET 44 Cb -0.21 -0.66 -0.05 0.00 2.01 0.00 0.00 34.83 35.92 1qjo s MET 44 CO 0.23 -0.22 0.33 -1.21 -0.01 0.00 0.00 175.02 174.13 1qjo s GLU 45 N 1.55 3.71 -0.23 2.03 8.01 -1.26 -1.27 118.70 131.24 1qjo s GLU 45 Ca -0.02 0.14 -0.03 0.00 0.01 0.00 0.00 54.97 55.07 1qjo s GLU 45 Cb -0.13 -3.12 0.00 0.00 -4.31 0.00 0.00 34.13 26.58 1qjo s GLU 45 CO -0.03 0.66 -0.06 0.08 0.01 0.00 0.00 175.26 175.92 1qjo s VAL 46 N -1.21 3.13 0.92 2.63 1.01 -0.22 -4.95 120.40 121.70 1qjo s VAL 46 Ca 0.26 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1qjo s VAL 46 Cb -0.14 -2.47 0.19 0.00 0.00 0.00 0.00 36.38 33.96 1qjo s VAL 46 CO 0.14 0.36 1.27 -2.16 0.00 0.00 0.00 175.10 174.70 1qjo s PRO 47 N 1.42 0.81 -0.50 2.72 0.04 -1.26 0.30 135.00 138.52 1qjo s PRO 47 Ca 0.04 -0.55 -0.27 0.00 0.04 0.00 0.00 61.00 60.27 1qjo s PRO 47 Cb -0.15 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1qjo s PRO 47 CO -0.04 -2.26 1.94 0.00 0.04 0.00 0.00 177.00 176.68 1qjo s ALA 48 N -3.76 2.30 0.56 8.56 0.00 -0.35 -4.53 121.76 124.53 1qjo s ALA 48 Ca 0.73 -0.25 0.44 0.00 0.00 0.00 0.00 51.96 52.88 1qjo s ALA 48 Cb -0.04 -4.22 1.63 0.00 0.00 0.00 0.00 23.12 20.48 1qjo s ALA 48 CO 0.52 -3.60 1.64 -1.00 0.00 0.00 0.00 175.76 173.31 1qjo h PRO 49 N 15.10 0.00 0.00 0.00 0.13 -1.91 -3.36 132.00 141.96 1qjo h PRO 49 Ca -0.28 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 1qjo h PRO 49 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1qjo h PRO 49 CO 1.15 0.00 0.24 1.97 -0.23 0.00 0.00 178.00 181.12 1qjo n PHE 50 N -3.96 -2.25 -3.94 1.56 -1.74 -1.26 -4.96 117.46 100.91 1qjo n PHE 50 Ca 0.36 -1.81 -0.25 0.00 -0.56 0.00 0.00 57.45 55.20 1qjo n PHE 50 Cb 1.72 0.86 -0.03 0.00 1.52 0.00 0.00 39.48 43.55 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 -2.08 3.95 0.00 1.98 0.00 -1.26 -3.48 121.76 120.87 1qjo s ALA 51 Ca 0.16 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1qjo s ALA 51 Cb -0.04 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1qjo s ALA 51 CO 0.12 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.73 1qjo n GLY 52 N -0.83 0.13 3.33 0.00 0.00 0.29 -4.66 105.19 103.46 1qjo n GLY 52 Ca -0.08 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.00 1.54 -1.16 1.61 1.01 0.25 0.39 120.40 120.04 1qjo s VAL 53 Ca 0.00 -2.16 -0.18 0.00 0.00 0.00 0.00 61.98 59.64 1qjo s VAL 53 Cb 0.00 -2.06 0.10 0.00 0.00 0.00 0.00 36.38 34.42 1qjo s VAL 53 CO 0.00 -0.58 1.51 -0.69 0.00 0.00 0.00 175.10 175.33 1qjo s VAL 54 N -3.09 4.40 0.13 2.92 1.01 0.13 -1.35 120.40 124.54 1qjo s VAL 54 Ca 0.22 -1.80 -0.14 0.00 0.00 0.00 0.00 61.98 60.27 1qjo s VAL 54 Cb 0.01 -5.03 -0.03 0.00 0.00 0.00 0.00 36.38 31.33 1qjo s VAL 54 CO 0.06 -1.83 1.53 0.50 0.00 0.00 0.00 175.10 175.37 1qjo h LYS 55 N 8.14 0.78 -1.81 2.72 1.63 -1.65 0.31 116.57 126.69 1qjo h LYS 55 Ca 0.32 -0.30 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 1qjo h LYS 55 Cb 0.92 -0.04 -0.23 0.00 -0.60 0.00 0.00 32.23 32.28 1qjo h LYS 55 CO 1.34 0.91 0.17 -2.00 -3.45 0.00 0.00 179.45 176.43 1qjo s GLU 56 N -4.78 0.58 0.11 1.90 2.12 -0.17 -4.78 118.70 113.67 1qjo s GLU 56 Ca -0.12 0.99 0.07 0.00 0.36 0.00 0.00 54.97 56.27 1qjo s GLU 56 Cb 0.10 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 1qjo s GLU 56 CO 0.82 -0.12 -0.18 -0.48 -0.54 0.00 0.00 175.26 174.76 1qjo s LEU 57 N 1.49 2.33 -0.36 2.70 2.34 -1.26 0.88 118.68 126.79 1qjo s LEU 57 Ca -0.09 -0.71 0.07 0.00 0.06 0.00 0.00 54.13 53.46 1qjo s LEU 57 Cb -0.04 -0.75 0.44 0.00 -0.56 0.00 0.00 46.19 45.28 1qjo s LEU 57 CO -0.18 -0.01 1.14 0.29 -1.06 0.00 0.00 176.35 176.54 1qjo n LYS 58 N 0.96 3.41 -4.00 1.48 4.01 -0.65 -4.99 118.16 118.38 1qjo n LYS 58 Ca -0.19 -4.29 -0.09 0.00 -0.51 0.00 0.00 58.31 53.24 1qjo n LYS 58 Cb 0.55 -2.22 -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 0.54 -1.11 0.00 0.00 177.40 176.83 1qjo s VAL 59 N -4.99 0.15 0.39 -0.18 0.11 -1.26 -5.02 120.40 109.60 1qjo s VAL 59 Ca 0.48 -1.24 0.05 0.00 -2.93 0.00 0.00 61.98 58.34 1qjo s VAL 59 Cb 0.40 -0.84 -0.06 0.00 -1.53 0.00 0.00 36.38 34.36 1qjo s VAL 59 CO -0.07 -0.68 0.04 0.20 -3.33 0.00 0.00 175.10 171.25 1qjo s ASN 60 N -2.10 3.19 -0.36 3.54 -0.87 -1.26 -5.05 114.94 112.03 1qjo s ASN 60 Ca -0.06 -1.44 -0.23 0.00 -1.57 0.00 0.00 52.86 49.56 1qjo s ASN 60 Cb -0.02 -0.07 0.01 0.00 -0.02 0.00 0.00 41.25 41.15 1qjo s ASN 60 CO -0.05 -0.61 0.80 -0.69 -2.57 0.00 0.00 177.10 173.98 1qjo s VAL 61 N -3.02 4.73 0.00 1.60 1.01 -1.26 -1.92 120.40 121.53 1qjo s VAL 61 Ca 0.31 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1qjo s VAL 61 Cb 0.08 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1qjo s VAL 61 CO 0.15 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1qjo n GLY 62 N 4.47 0.99 3.98 4.51 0.00 0.26 -4.96 105.19 114.44 1qjo n GLY 62 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.38 5.31 0.06 1.61 -1.08 -0.81 -4.74 116.67 116.64 1qjo s ASP 63 Ca 0.00 -0.13 0.09 0.00 -0.52 0.00 0.00 52.55 51.99 1qjo s ASP 63 Cb 0.00 -0.76 -0.03 0.00 -1.46 0.00 0.00 42.92 40.66 1qjo s ASP 63 CO 0.00 -1.10 -0.24 -1.59 0.52 0.00 0.00 175.17 172.77 1qjo s LYS 64 N -4.69 1.82 0.23 4.34 0.00 -1.26 -0.14 119.74 120.03 1qjo s LYS 64 Ca 0.57 -1.11 0.04 0.00 0.00 0.00 0.00 55.97 55.47 1qjo s LYS 64 Cb -0.10 -2.04 -0.05 0.00 0.00 0.00 0.00 37.83 35.64 1qjo s LYS 64 CO 0.37 0.51 -0.02 0.14 0.00 0.00 0.00 175.35 176.35 1qjo s VAL 65 N -0.90 1.12 -0.19 1.79 -7.23 0.16 -4.97 120.40 110.18 1qjo s VAL 65 Ca 0.13 -2.05 -0.19 0.00 -1.81 0.00 0.00 61.98 58.06 1qjo s VAL 65 Cb -0.10 -2.29 0.05 0.00 0.56 0.00 0.00 36.38 34.60 1qjo s VAL 65 CO 0.04 -0.37 0.53 -1.59 -0.31 0.00 0.00 175.10 173.40 1qjo s LYS 66 N -3.83 0.65 -0.38 4.82 0.00 -1.26 -1.04 119.74 118.69 1qjo s LYS 66 Ca 0.27 0.69 -0.44 0.00 0.00 0.00 0.00 55.97 56.49 1qjo s LYS 66 Cb 0.05 0.31 -0.18 0.00 0.00 0.00 0.00 37.83 38.01 1qjo s LYS 66 CO 0.08 -0.09 1.65 -2.37 0.00 0.00 0.00 175.35 174.62 1qjo n THR 67 N 2.65 0.14 0.00 3.79 5.66 -1.25 -2.15 114.28 123.12 1qjo n THR 67 Ca -0.14 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1qjo n THR 67 Cb 0.56 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 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 4.01 1.89 3.77 1.09 0.00 -0.80 -4.97 105.19 110.19 1qjo n GLY 68 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.36 7.36 -1.37 1.61 0.15 -0.91 -4.78 113.70 114.39 1qjo s SER 69 Ca 0.00 1.91 -0.07 0.00 0.70 0.00 0.00 55.95 58.48 1qjo s SER 69 Cb 0.00 -2.59 0.09 0.00 -1.71 0.00 0.00 66.02 61.81 1qjo s SER 69 CO 0.00 -0.06 2.37 0.18 1.20 0.00 0.00 173.24 176.93 1qjo n LEU 70 N 0.75 7.84 -0.30 3.45 4.32 -1.26 -2.35 117.00 129.46 1qjo n LEU 70 Ca 0.01 -4.73 0.12 0.00 -0.02 0.00 0.00 56.01 51.40 1qjo n LEU 70 Cb 0.49 -1.43 0.27 0.00 -1.62 0.00 0.00 43.42 41.13 1qjo n LEU 70 CO 0.46 1.89 0.90 0.40 -1.22 0.00 0.00 177.39 179.82 1qjo h ILE 71 N 2.95 0.26 -4.39 -0.08 1.08 -1.14 -3.43 117.51 112.77 1qjo h ILE 71 Ca 0.66 -0.05 -0.41 0.00 -0.39 0.00 0.00 64.86 64.67 1qjo h ILE 71 Cb 0.38 0.10 -0.10 0.00 -3.07 0.00 0.00 36.82 34.13 1qjo h ILE 71 CO 1.58 0.03 -0.36 0.23 -0.69 0.00 0.00 178.15 178.93 1qjo n MET 72 N -5.30 0.54 -3.68 2.37 0.00 -0.71 -1.63 117.12 108.70 1qjo n MET 72 Ca 0.21 -2.66 -0.22 0.00 0.00 0.00 0.00 57.70 55.02 1qjo n MET 72 Cb 0.67 1.69 -0.18 0.00 0.00 0.00 0.00 33.22 35.40 1qjo n MET 72 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1qjo s ILE 73 N -2.85 0.05 0.25 2.02 1.09 0.25 0.99 121.20 123.00 1qjo s ILE 73 Ca 0.21 0.17 0.08 0.00 -1.10 0.00 0.00 60.65 60.02 1qjo s ILE 73 Cb 0.01 -0.38 -0.04 0.00 -1.06 0.00 0.00 42.46 40.99 1qjo s ILE 73 CO 0.15 0.08 0.08 -0.36 -0.10 0.00 0.00 174.94 174.79 1qjo s PHE 74 N 2.10 2.89 0.11 3.97 0.08 0.24 -1.00 117.98 126.36 1qjo s PHE 74 Ca 0.04 -0.17 0.08 0.00 0.12 0.00 0.00 56.93 57.00 1qjo s PHE 74 Cb -0.13 -1.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1qjo s PHE 74 CO -0.05 0.57 -0.19 -2.00 -0.10 0.00 0.00 175.22 173.45 1qjo s GLU 75 N -3.68 1.10 -1.13 0.44 2.12 -0.46 0.44 118.70 117.53 1qjo s GLU 75 Ca 0.32 -1.17 -0.06 0.00 0.36 0.00 0.00 54.97 54.41 1qjo s GLU 75 Cb -0.07 -1.28 0.27 0.00 0.26 0.00 0.00 34.13 33.30 1qjo s GLU 75 CO 0.22 0.29 1.52 1.33 -0.54 0.00 0.00 175.26 178.08 1qjo n VAL 76 N 0.98 4.99 -1.53 3.70 0.24 -1.26 0.84 118.33 126.28 1qjo n VAL 76 Ca -0.19 -5.48 -0.13 0.00 -2.04 0.00 0.00 64.34 56.50 1qjo n VAL 76 Cb 0.54 -2.22 -0.10 0.00 -1.47 0.00 0.00 33.84 30.59 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 2.23 0.18 0.11 7.34 1.02 -1.26 -4.06 120.64 126.21 1qjo n GLU 77 Ca 0.29 -1.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.05 1qjo n GLU 77 Cb 0.35 -3.64 0.00 0.00 -0.02 0.00 0.00 31.44 28.13 1qjo n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qjo n GLY 78 N 6.15 -0.22 0.00 0.62 0.00 -1.26 -5.06 105.19 105.42 1qjo n GLY 78 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.48 0.00 -1.63 4.61 0.00 -1.26 -5.33 120.51 113.42 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