#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 -1.45 -4.36 1.12 0.31 -1.26 -5.10 118.33 107.59 1qjo n VAL 2 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1qjo n VAL 2 Cb 0.00 -1.48 -0.16 0.00 -0.91 0.00 0.00 33.84 31.29 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 -2.95 3.07 0.69 5.55 -0.14 0.18 -5.00 119.74 121.14 1qjo s LYS 3 Ca 0.00 -0.81 -0.14 0.00 -1.36 0.00 0.00 55.97 53.66 1qjo s LYS 3 Cb 0.00 -2.57 0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1qjo s LYS 3 CO 0.00 -0.10 1.12 -1.21 -0.76 0.00 0.00 175.35 174.40 1qjo s GLU 4 N 1.06 2.58 -0.33 1.68 2.02 -1.26 -0.20 118.70 124.25 1qjo s GLU 4 Ca -0.01 1.42 0.03 0.00 0.02 0.00 0.00 54.97 56.43 1qjo s GLU 4 Cb -0.14 -1.92 0.10 0.00 0.10 0.00 0.00 34.13 32.27 1qjo s GLU 4 CO -0.06 -1.43 0.06 0.08 0.02 0.00 0.00 175.26 173.93 1qjo s VAL 5 N -2.37 1.94 -0.66 2.63 1.01 0.39 -4.71 120.40 118.64 1qjo s VAL 5 Ca 0.67 -2.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.38 1qjo s VAL 5 Cb -0.21 -2.44 0.15 0.00 0.00 0.00 0.00 36.38 33.88 1qjo s VAL 5 CO 0.44 -0.61 0.66 0.54 0.00 0.00 0.00 175.10 176.13 1qjo s ASN 6 N 1.08 6.38 -0.01 3.32 4.22 -1.26 -2.56 114.94 126.10 1qjo s ASN 6 Ca 0.10 -1.99 -0.02 0.00 -2.14 0.00 0.00 52.86 48.82 1qjo s ASN 6 Cb -0.19 -2.24 -0.01 0.00 1.28 0.00 0.00 41.25 40.10 1qjo s ASN 6 CO -0.12 -0.85 0.05 0.52 -2.04 0.00 0.00 177.10 174.67 1qjo n VAL 7 N 4.96 0.00 -0.35 3.54 0.31 -1.04 -4.33 118.33 121.42 1qjo n VAL 7 Ca -0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.24 1qjo n VAL 7 Cb 0.43 -0.01 0.06 0.00 -0.91 0.00 0.00 33.84 33.40 1qjo n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1qjo n PRO 8 N 0.12 -2.00 -0.21 5.55 -0.04 -1.26 -0.84 135.00 136.32 1qjo n PRO 8 Ca 0.01 -0.35 -0.02 0.00 -0.04 0.00 0.00 63.50 63.11 1qjo n PRO 8 Cb -0.00 -0.37 -0.02 0.00 -0.04 0.00 0.00 33.50 33.06 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 -3.49 1.50 -1.94 3.54 5.75 -1.26 -3.61 116.55 117.03 1qjo n ASP 9 Ca 0.03 -1.59 -0.11 0.00 -0.01 0.00 0.00 54.79 53.11 1qjo n ASP 9 Cb 0.13 -0.36 -0.14 0.00 -1.03 0.00 0.00 41.12 39.71 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 2.37 2.87 0.00 2.12 -5.35 -1.26 -4.90 119.36 115.21 1qjo n ILE 10 Ca 0.06 -1.40 0.00 0.00 -0.27 0.00 0.00 62.75 61.15 1qjo n ILE 10 Cb 0.20 -1.92 0.00 0.00 -1.74 0.00 0.00 39.64 36.18 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 2.32 -0.86 0.42 3.28 0.00 -1.26 -4.87 105.19 104.22 1qjo n GLY 11 Ca 0.37 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.11 2.69 -0.02 0.00 -1.26 -4.71 105.19 101.78 1qjo n GLY 12 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.04 -0.29 -4.85 1.61 8.00 -1.26 -4.85 116.55 111.87 1qjo n ASP 13 Ca -0.14 -1.27 -0.38 0.00 0.71 0.00 0.00 54.79 53.72 1qjo n ASP 13 Cb 0.62 -0.72 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 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 -5.01 3.72 0.17 -1.24 2.02 -1.26 -4.74 118.70 112.36 1qjo s GLU 14 Ca 0.53 0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.76 1qjo s GLU 14 Cb -0.02 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 1qjo s GLU 14 CO 0.38 0.72 -0.12 0.14 0.02 0.00 0.00 175.26 176.39 1qjo s VAL 15 N -1.02 1.44 0.36 2.63 -7.23 -0.74 -4.86 120.40 110.97 1qjo s VAL 15 Ca 0.20 -2.11 0.08 0.00 -1.81 0.00 0.00 61.98 58.33 1qjo s VAL 15 Cb -0.15 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1qjo s VAL 15 CO 0.09 -0.66 0.29 -1.83 -0.31 0.00 0.00 175.10 172.68 1qjo s GLU 16 N -3.64 2.61 -0.33 4.82 -1.05 -0.20 -0.54 118.70 120.37 1qjo s GLU 16 Ca 0.19 -1.41 -0.17 0.00 -0.15 0.00 0.00 54.97 53.43 1qjo s GLU 16 Cb 0.01 -2.40 -0.01 0.00 -0.44 0.00 0.00 34.13 31.29 1qjo s GLU 16 CO 0.04 0.01 0.45 0.08 0.95 0.00 0.00 175.26 176.79 1qjo s VAL 17 N -2.37 5.09 -0.13 1.83 1.01 0.86 -0.41 120.40 126.27 1qjo s VAL 17 Ca 0.42 0.34 0.11 0.00 0.00 0.00 0.00 61.98 62.86 1qjo s VAL 17 Cb -0.04 -3.87 -0.24 0.00 0.00 0.00 0.00 36.38 32.23 1qjo s VAL 17 CO 0.26 -0.10 0.33 0.35 0.00 0.00 0.00 175.10 175.94 1qjo n THR 18 N 5.30 1.54 -3.63 3.92 -2.24 0.46 0.24 114.28 119.87 1qjo n THR 18 Ca -0.06 -0.78 -0.27 0.00 -2.27 0.00 0.00 64.05 60.67 1qjo n THR 18 Cb 0.49 -0.96 -0.16 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.55 0.23 -1.09 -0.78 0.41 -0.88 -4.90 118.70 109.14 1qjo s GLU 19 Ca -0.12 -0.28 -0.06 0.00 -0.41 0.00 0.00 54.97 54.10 1qjo s GLU 19 Cb 0.07 -1.77 0.02 0.00 -1.78 0.00 0.00 34.13 30.67 1qjo s GLU 19 CO 0.80 -0.75 2.74 1.55 -0.49 0.00 0.00 175.26 179.11 1qjo n VAL 20 N 5.21 4.42 -0.01 2.63 3.14 -1.26 0.27 118.33 132.73 1qjo n VAL 20 Ca -0.07 -3.35 0.00 0.00 -2.96 0.00 0.00 64.34 57.97 1qjo n VAL 20 Cb 0.47 -2.11 0.00 0.00 -1.06 0.00 0.00 33.84 31.15 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 2.09 -0.00 -4.21 1.45 2.81 -1.20 -4.45 117.12 113.60 1qjo n MET 21 Ca 0.62 0.02 -0.29 0.00 -1.81 0.00 0.00 57.70 56.24 1qjo n MET 21 Cb 0.37 -0.03 -0.09 0.00 -0.71 0.00 0.00 33.22 32.76 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 -5.02 3.53 0.30 2.03 1.01 -0.32 -5.02 120.40 116.92 1qjo s VAL 22 Ca -0.00 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.71 1qjo s VAL 22 Cb 0.00 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1qjo s VAL 22 CO 0.01 0.04 0.16 0.29 0.00 0.00 0.00 175.10 175.59 1qjo n LYS 23 N 0.41 0.53 -1.54 2.72 5.02 -1.26 -4.95 118.16 119.09 1qjo n LYS 23 Ca -0.12 -2.71 -0.26 0.00 -2.02 0.00 0.00 58.31 53.20 1qjo n LYS 23 Cb 0.53 1.74 -0.09 0.00 -0.02 0.00 0.00 35.03 37.19 1qjo n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1qjo n VAL 24 N -0.65 -0.03 0.00 -0.18 0.31 -1.26 -1.02 118.33 115.50 1qjo n VAL 24 Ca -0.01 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1qjo n VAL 24 Cb 0.48 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 6.30 1.17 3.84 2.92 0.00 0.68 -4.97 105.19 115.12 1qjo n GLY 25 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.56 6.79 0.05 1.61 1.01 -0.19 -4.77 116.67 119.62 1qjo s ASP 26 Ca 0.00 0.97 -0.31 0.00 0.71 0.00 0.00 52.55 53.92 1qjo s ASP 26 Cb 0.00 -2.25 -0.07 0.00 1.01 0.00 0.00 42.92 41.61 1qjo s ASP 26 CO 0.00 0.23 1.40 -0.54 0.21 0.00 0.00 175.17 176.47 1qjo s LYS 27 N -1.51 4.30 -0.46 8.23 1.02 -1.26 -2.20 119.74 127.86 1qjo s LYS 27 Ca 0.30 2.02 -0.03 0.00 0.02 0.00 0.00 55.97 58.28 1qjo s LYS 27 Cb -0.16 -3.44 0.12 0.00 -0.52 0.00 0.00 37.83 33.83 1qjo s LYS 27 CO 0.17 -0.52 0.26 0.08 -0.92 0.00 0.00 175.35 174.42 1qjo s VAL 28 N 1.85 3.42 0.06 3.17 1.01 0.18 -4.97 120.40 125.12 1qjo s VAL 28 Ca 0.65 -2.22 0.06 0.00 0.00 0.00 0.00 61.98 60.46 1qjo s VAL 28 Cb -0.34 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1qjo s VAL 28 CO 0.28 -0.73 -0.10 0.00 0.00 0.00 0.00 175.10 174.55 1qjo s ALA 29 N 0.91 2.91 0.09 5.51 0.00 -1.26 0.64 121.76 130.56 1qjo s ALA 29 Ca 0.10 -1.15 -0.31 0.00 0.00 0.00 0.00 51.96 50.60 1qjo s ALA 29 Cb -0.22 -0.95 -0.09 0.00 0.00 0.00 0.00 23.12 21.86 1qjo s ALA 29 CO -0.04 0.62 1.79 0.00 0.00 0.00 0.00 175.76 178.13 1qjo s ALA 30 N -1.08 3.71 0.00 0.00 0.00 -1.21 -1.55 121.76 121.63 1qjo s ALA 30 Ca 0.19 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1qjo s ALA 30 Cb -0.11 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1qjo s ALA 30 CO 0.10 -1.25 0.00 0.39 0.00 0.00 0.00 175.76 175.00 1qjo n GLU 31 N 6.00 0.00 -3.47 0.00 1.02 -1.26 -4.97 120.64 117.96 1qjo n GLU 31 Ca 0.17 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.98 1qjo n GLU 31 Cb 0.39 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.76 1qjo n GLU 31 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1qjo s GLN 32 N -0.05 3.82 -1.27 3.49 1.03 -0.59 -4.88 119.66 121.21 1qjo s GLN 32 Ca 0.00 0.26 -0.18 0.00 0.04 0.00 0.00 55.36 55.48 1qjo s GLN 32 Cb 0.00 -2.84 0.07 0.00 0.03 0.00 0.00 33.01 30.28 1qjo s GLN 32 CO 0.00 0.44 1.70 0.45 -2.54 0.00 0.00 175.29 175.34 1qjo s SER 33 N -2.04 6.82 0.10 12.60 0.15 -1.26 -0.82 113.70 129.24 1qjo s SER 33 Ca 0.40 -2.38 -0.12 0.00 0.70 0.00 0.00 55.95 54.55 1qjo s SER 33 Cb -0.13 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1qjo s SER 33 CO 0.20 -1.18 0.77 0.18 1.20 0.00 0.00 173.24 174.41 1qjo n LEU 34 N 8.31 -0.43 -3.77 3.45 4.77 0.13 -4.64 117.00 124.81 1qjo n LEU 34 Ca 0.47 0.88 -0.11 0.00 -0.03 0.00 0.00 56.01 57.22 1qjo n LEU 34 Cb 0.46 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1qjo n LEU 34 CO 0.75 -0.75 0.00 0.27 -1.33 0.00 0.00 177.39 176.33 1qjo s ILE 35 N -5.35 0.10 -0.16 -0.08 -4.36 -0.98 -1.17 121.20 109.20 1qjo s ILE 35 Ca -0.06 -0.80 -0.05 0.00 -0.26 0.00 0.00 60.65 59.47 1qjo s ILE 35 Cb 0.08 -1.06 -0.03 0.00 1.25 0.00 0.00 42.46 42.69 1qjo s ILE 35 CO 0.33 -0.44 0.02 -0.89 0.24 0.00 0.00 174.94 174.19 1qjo s THR 36 N -3.03 4.39 0.12 8.37 2.01 0.14 -0.15 115.64 127.49 1qjo s THR 36 Ca -0.02 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 61.85 1qjo s THR 36 Cb 0.01 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1qjo s THR 36 CO -0.06 0.50 -0.13 0.68 -0.69 0.00 0.00 174.62 174.91 1qjo s VAL 37 N 0.13 1.27 0.30 3.82 -7.23 0.55 -0.40 120.40 118.84 1qjo s VAL 37 Ca 0.02 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1qjo s VAL 37 Cb -0.13 -1.51 -0.06 0.00 0.56 0.00 0.00 36.38 35.24 1qjo s VAL 37 CO 0.02 -0.45 0.06 -0.70 -0.31 0.00 0.00 175.10 173.72 1qjo s GLU 38 N -2.72 1.55 0.08 4.82 2.12 0.45 0.59 118.70 125.60 1qjo s GLU 38 Ca 0.09 -1.85 -0.26 0.00 0.36 0.00 0.00 54.97 53.30 1qjo s GLU 38 Cb -0.04 -0.67 0.09 0.00 0.26 0.00 0.00 34.13 33.76 1qjo s GLU 38 CO 0.03 -0.21 1.15 0.20 -0.54 0.00 0.00 175.26 175.88 1qjo s GLY 39 N -3.42 -0.15 0.00 -1.50 0.00 -1.25 -1.04 107.32 99.95 1qjo s GLY 39 Ca 0.36 0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.20 1qjo s GLY 39 CO 0.14 1.99 0.00 1.22 0.00 0.00 0.00 173.10 176.45 1qjo n ASP 40 N -0.84 0.00 -2.18 1.64 9.92 -1.26 -0.21 116.55 123.63 1qjo n ASP 40 Ca -0.04 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.02 1qjo n ASP 40 Cb 0.60 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.05 1qjo n ASP 40 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1qjo n LYS 41 N 0.00 -1.64 -3.61 -1.24 4.76 -1.26 -4.94 118.16 110.23 1qjo n LYS 41 Ca 0.00 1.06 -0.27 0.00 -2.87 0.00 0.00 58.31 56.23 1qjo n LYS 41 Cb 0.00 -5.65 -0.10 0.00 -1.84 0.00 0.00 35.03 27.44 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qjo n ALA 42 N -1.10 3.34 -1.90 7.82 0.00 0.71 -5.08 120.51 124.30 1qjo n ALA 42 Ca -0.23 -4.16 -0.42 0.00 0.00 0.00 0.00 53.44 48.63 1qjo n ALA 42 Cb 0.68 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 1qjo n ALA 42 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qjo s SER 43 N -1.34 5.60 0.35 0.00 0.15 -1.26 -3.95 113.70 113.24 1qjo s SER 43 Ca 0.31 1.23 0.07 0.00 0.70 0.00 0.00 55.95 58.26 1qjo s SER 43 Cb 0.04 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1qjo s SER 43 CO -0.14 -1.96 0.30 -0.04 1.20 0.00 0.00 173.24 172.61 1qjo s MET 44 N 6.21 2.69 -0.02 5.44 -1.94 0.20 -4.93 119.30 126.96 1qjo s MET 44 Ca 0.83 -1.33 -0.02 0.00 -1.71 0.00 0.00 55.69 53.45 1qjo s MET 44 Cb -0.22 -2.46 -0.04 0.00 2.01 0.00 0.00 34.83 34.12 1qjo s MET 44 CO 0.31 0.05 0.13 -1.21 -0.01 0.00 0.00 175.02 174.29 1qjo s GLU 45 N -4.01 3.26 -0.42 2.03 0.41 -1.26 -0.33 118.70 118.38 1qjo s GLU 45 Ca 0.42 -0.38 0.02 0.00 -0.41 0.00 0.00 54.97 54.61 1qjo s GLU 45 Cb -0.05 -2.99 0.11 0.00 -1.78 0.00 0.00 34.13 29.42 1qjo s GLU 45 CO 0.27 0.67 0.16 0.08 -0.49 0.00 0.00 175.26 175.95 1qjo s VAL 46 N -1.24 2.69 1.04 2.63 1.01 0.78 -4.85 120.40 122.47 1qjo s VAL 46 Ca 0.24 -2.53 -0.16 0.00 0.00 0.00 0.00 61.98 59.53 1qjo s VAL 46 Cb -0.12 -2.90 0.21 0.00 0.00 0.00 0.00 36.38 33.57 1qjo s VAL 46 CO 0.15 -0.68 1.17 -2.16 0.00 0.00 0.00 175.10 173.58 1qjo s PRO 47 N 0.63 0.06 -0.47 2.72 0.04 -1.26 0.17 135.00 136.89 1qjo s PRO 47 Ca 0.12 -0.01 -0.29 0.00 0.04 0.00 0.00 61.00 60.86 1qjo s PRO 47 Cb -0.21 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1qjo s PRO 47 CO -0.05 -2.87 1.32 0.00 0.04 0.00 0.00 177.00 175.43 1qjo s ALA 48 N -3.31 3.04 0.50 8.56 0.00 -0.00 -4.46 121.76 126.09 1qjo s ALA 48 Ca 0.69 -0.38 0.33 0.00 0.00 0.00 0.00 51.96 52.61 1qjo s ALA 48 Cb -0.10 -3.96 1.46 0.00 0.00 0.00 0.00 23.12 20.51 1qjo s ALA 48 CO 0.55 -2.46 1.76 -1.00 0.00 0.00 0.00 175.76 174.61 1qjo h PRO 49 N 10.24 0.10 0.00 0.00 0.13 -1.91 -3.34 132.00 137.22 1qjo h PRO 49 Ca -0.26 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.76 1qjo h PRO 49 Cb 1.09 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1qjo h PRO 49 CO 1.12 0.06 0.10 1.97 -0.23 0.00 0.00 178.00 181.02 1qjo n PHE 50 N -4.31 -1.85 -3.76 1.56 -1.74 -1.26 -4.93 117.46 101.17 1qjo n PHE 50 Ca 0.28 -1.75 -0.22 0.00 -0.56 0.00 0.00 57.45 55.20 1qjo n PHE 50 Cb 1.25 0.67 -0.02 0.00 1.52 0.00 0.00 39.48 42.90 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 -2.18 3.85 0.00 1.98 0.00 -1.26 -3.34 121.76 120.81 1qjo s ALA 51 Ca 0.18 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1qjo s ALA 51 Cb -0.03 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1qjo s ALA 51 CO 0.13 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1qjo n GLY 52 N -1.49 0.66 3.32 0.00 0.00 0.21 -4.70 105.19 103.19 1qjo n GLY 52 Ca -0.07 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.90 1.35 -0.65 1.61 1.01 -0.37 0.47 120.40 119.93 1qjo s VAL 53 Ca 0.00 -2.10 -0.26 0.00 0.00 0.00 0.00 61.98 59.61 1qjo s VAL 53 Cb 0.00 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.30 1qjo s VAL 53 CO 0.00 -0.53 1.15 -0.69 0.00 0.00 0.00 175.10 175.03 1qjo s VAL 54 N -3.21 4.01 -0.07 2.92 1.01 -0.94 -2.42 120.40 121.71 1qjo s VAL 54 Ca 0.23 0.43 -0.25 0.00 0.00 0.00 0.00 61.98 62.39 1qjo s VAL 54 Cb 0.03 -4.76 -0.25 0.00 0.00 0.00 0.00 36.38 31.40 1qjo s VAL 54 CO 0.06 -1.52 0.97 0.50 0.00 0.00 0.00 175.10 175.12 1qjo h LYS 55 N 9.69 0.15 -2.17 2.72 1.63 -1.22 0.19 116.57 127.56 1qjo h LYS 55 Ca -0.27 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.33 1qjo h LYS 55 Cb 1.06 0.05 -0.18 0.00 -0.60 0.00 0.00 32.23 32.57 1qjo h LYS 55 CO 1.20 0.95 0.25 -2.00 -3.45 0.00 0.00 179.45 176.41 1qjo s GLU 56 N -2.92 1.04 -0.01 1.90 2.12 -0.67 -4.72 118.70 115.45 1qjo s GLU 56 Ca -0.16 0.07 -0.15 0.00 0.36 0.00 0.00 54.97 55.09 1qjo s GLU 56 Cb 0.00 0.49 0.02 0.00 0.26 0.00 0.00 34.13 34.90 1qjo s GLU 56 CO 0.74 -0.36 0.31 -0.48 -0.54 0.00 0.00 175.26 174.93 1qjo s LEU 57 N -1.57 0.85 -0.49 2.70 2.34 -1.26 -0.30 118.68 120.94 1qjo s LEU 57 Ca -0.07 0.05 0.04 0.00 0.06 0.00 0.00 54.13 54.21 1qjo s LEU 57 Cb -0.00 1.29 0.42 0.00 -0.56 0.00 0.00 46.19 47.33 1qjo s LEU 57 CO 0.03 -0.47 1.34 0.29 -1.06 0.00 0.00 176.35 176.48 1qjo n LYS 58 N 1.17 3.31 -3.91 1.48 5.02 -1.26 -4.99 118.16 118.98 1qjo n LYS 58 Ca -0.21 -4.19 -0.12 0.00 -2.02 0.00 0.00 58.31 51.76 1qjo n LYS 58 Cb 0.56 -2.26 -0.14 0.00 -0.02 0.00 0.00 35.03 33.17 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 -5.22 0.06 0.02 -0.18 -7.23 -1.26 -5.06 120.40 101.53 1qjo s VAL 59 Ca 0.50 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 1qjo s VAL 59 Cb 0.42 -0.07 -0.00 0.00 0.56 0.00 0.00 36.38 37.29 1qjo s VAL 59 CO -0.17 -0.02 0.00 0.59 -0.31 0.00 0.00 175.10 175.19 1qjo n ASN 60 N 2.96 1.49 -4.48 4.85 3.02 -1.26 -5.04 115.26 116.81 1qjo n ASN 60 Ca -0.13 -1.10 -0.43 0.00 -0.03 0.00 0.00 54.58 52.89 1qjo n ASN 60 Cb 0.59 0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.74 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 -1.35 4.72 0.00 2.41 1.01 -1.26 -2.89 120.40 123.04 1qjo s VAL 61 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1qjo s VAL 61 Cb 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1qjo s VAL 61 CO 0.00 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 174.86 1qjo n GLY 62 N 5.13 0.74 3.92 4.51 0.00 0.14 -4.95 105.19 114.67 1qjo n GLY 62 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.29 6.11 0.04 1.61 1.01 -1.14 -4.77 116.67 118.24 1qjo s ASP 63 Ca 0.00 0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.35 1qjo s ASP 63 Cb 0.00 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 1qjo s ASP 63 CO 0.00 0.00 -0.07 -1.59 0.21 0.00 0.00 175.17 173.72 1qjo s LYS 64 N -3.55 2.41 0.21 8.23 0.00 -1.26 -0.10 119.74 125.69 1qjo s LYS 64 Ca 0.34 -0.83 0.01 0.00 0.00 0.00 0.00 55.97 55.48 1qjo s LYS 64 Cb -0.10 -2.44 -0.05 0.00 0.00 0.00 0.00 37.83 35.25 1qjo s LYS 64 CO 0.27 0.57 0.08 0.14 0.00 0.00 0.00 175.35 176.41 1qjo s VAL 65 N -1.09 0.40 -0.09 1.79 -7.23 0.30 -4.97 120.40 109.51 1qjo s VAL 65 Ca 0.19 -1.98 -0.24 0.00 -1.81 0.00 0.00 61.98 58.14 1qjo s VAL 65 Cb -0.11 -2.42 0.05 0.00 0.56 0.00 0.00 36.38 34.47 1qjo s VAL 65 CO 0.10 -0.17 0.56 -1.59 -0.31 0.00 0.00 175.10 173.70 1qjo s LYS 66 N -4.04 0.86 -0.20 4.82 -2.85 -1.26 -1.80 119.74 115.27 1qjo s LYS 66 Ca 0.33 0.29 -0.40 0.00 -1.00 0.00 0.00 55.97 55.19 1qjo s LYS 66 Cb 0.07 0.40 -0.16 0.00 -2.06 0.00 0.00 37.83 36.08 1qjo s LYS 66 CO 0.10 -0.23 1.63 -2.37 0.10 0.00 0.00 175.35 174.58 1qjo n THR 67 N 1.50 0.21 0.00 3.79 5.66 -1.24 -2.41 114.28 121.79 1qjo n THR 67 Ca -0.18 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1qjo n THR 67 Cb 0.56 -1.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.28 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 3.74 1.05 3.20 1.09 0.00 -0.02 -4.99 105.19 109.26 1qjo n GLY 68 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 5.76 -1.05 1.61 0.01 -1.01 -4.87 113.70 112.15 1qjo s SER 69 Ca 0.00 -2.18 -0.20 0.00 1.31 0.00 0.00 55.95 54.88 1qjo s SER 69 Cb 0.00 -2.01 0.09 0.00 0.21 0.00 0.00 66.02 64.32 1qjo s SER 69 CO 0.00 -0.62 1.38 -1.48 0.41 0.00 0.00 173.24 172.93 1qjo s LEU 70 N 0.95 4.23 -0.05 2.44 0.05 -1.26 -2.48 118.68 122.56 1qjo s LEU 70 Ca 0.09 -1.95 0.07 0.00 0.05 0.00 0.00 54.13 52.40 1qjo s LEU 70 Cb -0.23 -2.50 -0.11 0.00 -2.05 0.00 0.00 46.19 41.31 1qjo s LEU 70 CO -0.02 -1.23 0.08 2.30 -0.55 0.00 0.00 176.35 176.92 1qjo n ILE 71 N 6.12 0.35 -3.95 1.48 -6.64 -1.06 -4.80 119.36 110.84 1qjo n ILE 71 Ca 0.32 -0.28 -0.27 0.00 -1.77 0.00 0.00 62.75 60.76 1qjo n ILE 71 Cb 0.49 -0.41 -0.03 0.00 -1.44 0.00 0.00 39.64 38.24 1qjo n ILE 71 CO 0.00 0.00 0.00 -0.32 -1.77 0.00 0.00 176.55 174.46 1qjo s MET 72 N -2.32 3.39 -0.10 6.28 1.75 -1.19 -4.22 119.30 122.88 1qjo s MET 72 Ca -0.04 -0.59 0.02 0.00 -1.25 0.00 0.00 55.69 53.83 1qjo s MET 72 Cb 0.03 -2.95 0.01 0.00 2.84 0.00 0.00 34.83 34.77 1qjo s MET 72 CO 0.33 0.53 -0.17 0.96 -0.65 0.00 0.00 175.02 176.02 1qjo s ILE 73 N -1.70 1.61 0.25 10.11 -4.36 0.58 0.15 121.20 127.84 1qjo s ILE 73 Ca 0.34 -0.73 0.10 0.00 -0.26 0.00 0.00 60.65 60.10 1qjo s ILE 73 Cb -0.11 -1.45 -0.04 0.00 1.25 0.00 0.00 42.46 42.11 1qjo s ILE 73 CO 0.28 0.46 -0.06 -0.36 0.24 0.00 0.00 174.94 175.50 1qjo s PHE 74 N 0.81 2.61 -0.01 1.37 0.08 0.72 -0.69 117.98 122.87 1qjo s PHE 74 Ca -0.10 -0.24 -0.00 0.00 0.12 0.00 0.00 56.93 56.71 1qjo s PHE 74 Cb -0.16 -1.19 0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1qjo s PHE 74 CO 0.01 0.61 0.03 -2.00 -0.10 0.00 0.00 175.22 173.76 1qjo s GLU 75 N -3.42 -0.00 -0.99 0.44 2.56 -1.02 0.50 118.70 116.77 1qjo s GLU 75 Ca 0.29 0.10 -0.05 0.00 0.00 0.00 0.00 54.97 55.32 1qjo s GLU 75 Cb -0.07 -0.10 0.12 0.00 2.00 0.00 0.00 34.13 36.08 1qjo s GLU 75 CO 0.18 -0.07 2.48 1.33 -0.56 0.00 0.00 175.26 178.62 1qjo n VAL 76 N 3.55 4.59 -3.49 3.70 0.24 -1.26 -1.23 118.33 124.43 1qjo n VAL 76 Ca -0.19 -3.95 0.04 0.00 -2.04 0.00 0.00 64.34 58.21 1qjo n VAL 76 Cb 0.56 -1.86 -0.01 0.00 -1.47 0.00 0.00 33.84 31.06 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 1.27 -0.66 0.00 7.34 4.07 -1.26 -4.99 120.64 126.40 1qjo n GLU 77 Ca 0.57 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 58.10 1qjo n GLU 77 Cb 0.35 -0.81 0.00 0.00 -0.06 0.00 0.00 31.44 30.92 1qjo n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1qjo n GLY 78 N -1.07 2.62 0.00 8.31 0.00 -1.26 -4.89 105.19 108.90 1qjo n GLY 78 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 -0.70 4.61 0.00 -1.26 -5.19 120.51 117.97 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