#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 -4.33 2.03 0.24 -1.26 -4.98 118.33 110.02 1qjo n VAL 2 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 1qjo n VAL 2 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 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 1.29 0.40 7.34 3.01 0.23 -4.98 119.74 127.03 1qjo s LYS 3 Ca 0.00 -1.57 0.08 0.00 -1.01 0.00 0.00 55.97 53.46 1qjo s LYS 3 Cb 0.00 -1.01 -0.02 0.00 -1.01 0.00 0.00 37.83 35.79 1qjo s LYS 3 CO 0.00 0.15 0.40 -1.83 0.51 0.00 0.00 175.35 174.58 1qjo s GLU 4 N -3.67 2.63 -0.30 1.68 -1.05 -1.26 -0.29 118.70 116.44 1qjo s GLU 4 Ca 0.22 -1.43 0.01 0.00 -0.15 0.00 0.00 54.97 53.62 1qjo s GLU 4 Cb 0.00 -2.47 0.09 0.00 -0.44 0.00 0.00 34.13 31.31 1qjo s GLU 4 CO 0.06 -0.16 0.04 0.08 0.95 0.00 0.00 175.26 176.23 1qjo s VAL 5 N -2.42 1.58 0.31 1.83 1.01 0.37 -4.56 120.40 118.52 1qjo s VAL 5 Ca 0.48 -1.73 0.06 0.00 0.00 0.00 0.00 61.98 60.79 1qjo s VAL 5 Cb -0.05 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1qjo s VAL 5 CO 0.29 -0.52 0.45 0.54 0.00 0.00 0.00 175.10 175.86 1qjo s ASN 6 N 1.28 6.07 0.23 3.32 4.22 -1.26 0.98 114.94 129.79 1qjo s ASN 6 Ca 0.07 -0.07 -0.30 0.00 -2.14 0.00 0.00 52.86 50.42 1qjo s ASN 6 Cb -0.18 -1.45 -0.09 0.00 1.28 0.00 0.00 41.25 40.81 1qjo s ASN 6 CO -0.14 -0.34 1.08 -0.69 -2.04 0.00 0.00 177.10 174.97 1qjo s VAL 7 N -2.14 3.71 0.61 3.54 1.01 0.13 -4.66 120.40 122.60 1qjo s VAL 7 Ca 0.42 1.61 -0.10 0.00 0.00 0.00 0.00 61.98 63.90 1qjo s VAL 7 Cb -0.09 -4.02 0.15 0.00 0.00 0.00 0.00 36.38 32.41 1qjo s VAL 7 CO 0.31 0.33 0.57 -0.81 0.00 0.00 0.00 175.10 175.51 1qjo n PRO 8 N 1.76 -1.89 -0.23 2.72 -0.04 -1.26 -1.53 135.00 134.53 1qjo n PRO 8 Ca 0.01 -0.91 -0.03 0.00 -0.04 0.00 0.00 63.50 62.53 1qjo n PRO 8 Cb 0.46 -0.81 -0.04 0.00 -0.04 0.00 0.00 33.50 33.07 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 -3.88 1.24 -3.13 3.54 5.68 -1.26 -3.76 116.55 114.99 1qjo n ASP 9 Ca 0.08 -1.69 -0.35 0.00 -0.50 0.00 0.00 54.79 52.32 1qjo n ASP 9 Cb 0.30 -0.33 -0.05 0.00 -1.14 0.00 0.00 41.12 39.90 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 2.79 4.10 -0.00 2.12 -5.35 -1.26 -4.90 119.36 116.86 1qjo n ILE 10 Ca 0.09 -2.40 0.00 0.00 -0.27 0.00 0.00 62.75 60.17 1qjo n ILE 10 Cb 0.21 -2.52 0.00 0.00 -1.74 0.00 0.00 39.64 35.59 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 3.44 0.00 0.00 3.28 0.00 -1.26 -4.78 105.19 105.86 1qjo n GLY 11 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 0.01 2.40 0.00 -0.02 0.00 -1.26 -5.14 105.19 101.18 1qjo n GLY 12 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.67 1.61 9.92 -1.26 -5.01 116.55 118.14 1qjo n ASP 13 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1qjo n ASP 13 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 1qjo n ASP 13 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1qjo s GLU 14 N 0.00 0.32 0.32 -1.24 2.12 -1.26 -4.96 118.70 114.00 1qjo s GLU 14 Ca 0.00 0.96 0.04 0.00 0.36 0.00 0.00 54.97 56.33 1qjo s GLU 14 Cb 0.00 0.23 -0.06 0.00 0.26 0.00 0.00 34.13 34.56 1qjo s GLU 14 CO 0.00 -0.23 0.05 0.14 -0.54 0.00 0.00 175.26 174.67 1qjo s VAL 15 N 2.34 1.23 0.38 3.70 -7.23 -1.15 -4.97 120.40 114.70 1qjo s VAL 15 Ca -0.03 -2.01 0.08 0.00 -1.81 0.00 0.00 61.98 58.21 1qjo s VAL 15 Cb -0.11 -2.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 1qjo s VAL 15 CO -0.12 -0.04 0.14 -1.83 -0.31 0.00 0.00 175.10 172.93 1qjo s GLU 16 N -3.87 2.24 -0.25 4.82 -1.05 -1.19 -0.44 118.70 118.95 1qjo s GLU 16 Ca 0.36 -1.73 -0.25 0.00 -0.15 0.00 0.00 54.97 53.19 1qjo s GLU 16 Cb 0.08 -2.03 -0.00 0.00 -0.44 0.00 0.00 34.13 31.74 1qjo s GLU 16 CO 0.15 0.00 0.86 0.08 0.95 0.00 0.00 175.26 177.30 1qjo s VAL 17 N -2.53 4.80 -0.23 1.83 1.01 0.78 -0.74 120.40 125.31 1qjo s VAL 17 Ca 0.39 1.57 0.07 0.00 0.00 0.00 0.00 61.98 64.01 1qjo s VAL 17 Cb 0.01 -4.16 -0.19 0.00 0.00 0.00 0.00 36.38 32.05 1qjo s VAL 17 CO 0.22 -0.13 -0.13 1.07 0.00 0.00 0.00 175.10 176.13 1qjo n THR 18 N 5.33 1.40 -3.79 3.92 5.66 0.45 0.21 114.28 127.47 1qjo n THR 18 Ca 0.06 -0.64 -0.25 0.00 -3.05 0.00 0.00 64.05 60.18 1qjo n THR 18 Cb 0.47 -1.09 -0.17 0.00 -1.55 0.00 0.00 70.33 67.99 1qjo n THR 18 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1qjo s GLU 19 N -2.49 0.80 -1.12 1.09 -6.30 -0.64 -4.91 118.70 105.13 1qjo s GLU 19 Ca -0.26 -0.10 -0.03 0.00 -2.50 0.00 0.00 54.97 52.08 1qjo s GLU 19 Cb 0.08 -1.38 0.22 0.00 0.00 0.00 0.00 34.13 33.05 1qjo s GLU 19 CO 0.65 -0.38 2.12 1.55 0.02 0.00 0.00 175.26 179.22 1qjo n VAL 20 N 5.08 5.50 0.00 3.70 3.14 -1.26 0.10 118.33 134.59 1qjo n VAL 20 Ca -0.09 -5.06 0.00 0.00 -2.96 0.00 0.00 64.34 56.24 1qjo n VAL 20 Cb 0.49 -1.76 0.00 0.00 -1.06 0.00 0.00 33.84 31.51 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 0.71 0.00 -4.34 1.45 2.81 -1.21 -4.55 117.12 111.99 1qjo n MET 21 Ca 0.54 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 56.21 1qjo n MET 21 Cb 0.27 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.67 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 -4.34 1.86 0.00 2.03 1.01 -0.97 -5.03 120.40 114.95 1qjo s VAL 22 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.01 1qjo s VAL 22 Cb 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1qjo s VAL 22 CO 0.00 -0.34 0.00 0.29 0.00 0.00 0.00 175.10 175.05 1qjo n LYS 23 N 0.20 0.00 -1.42 2.72 5.02 -1.26 -5.00 118.16 118.41 1qjo n LYS 23 Ca -0.12 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.05 1qjo n LYS 23 Cb 0.57 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.48 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 0.00 0.00 0.00 -0.18 0.31 -1.26 -0.66 118.33 116.53 1qjo n VAL 24 Ca 0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1qjo n VAL 24 Cb 0.00 -1.15 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 5.81 0.99 3.81 2.92 0.00 0.12 -4.96 105.19 113.88 1qjo n GLY 25 Ca 0.38 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.19 7.07 -0.59 1.61 1.01 0.16 -4.83 116.67 120.92 1qjo s ASP 26 Ca 0.00 1.27 -0.27 0.00 0.71 0.00 0.00 52.55 54.26 1qjo s ASP 26 Cb 0.00 -2.36 -0.27 0.00 1.01 0.00 0.00 42.92 41.30 1qjo s ASP 26 CO 0.00 0.27 1.84 0.29 0.21 0.00 0.00 175.17 177.78 1qjo n LYS 27 N 1.75 0.45 -2.25 8.23 4.76 -1.26 -2.88 118.16 126.95 1qjo n LYS 27 Ca -0.10 -1.52 -0.38 0.00 -2.87 0.00 0.00 58.31 53.44 1qjo n LYS 27 Cb 0.51 -3.15 -0.03 0.00 -1.84 0.00 0.00 35.03 30.51 1qjo n LYS 27 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1qjo s VAL 28 N 10.38 3.54 0.19 -0.18 1.01 0.18 -4.89 120.40 130.62 1qjo s VAL 28 Ca 0.71 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.84 1qjo s VAL 28 Cb 0.07 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1qjo s VAL 28 CO 0.24 -1.31 0.27 0.00 0.00 0.00 0.00 175.10 174.29 1qjo s ALA 29 N 7.76 3.84 1.16 5.51 0.00 -1.26 0.85 121.76 139.63 1qjo s ALA 29 Ca 0.55 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 1qjo s ALA 29 Cb -0.09 -1.63 0.25 0.00 0.00 0.00 0.00 23.12 21.64 1qjo s ALA 29 CO 0.13 0.42 0.81 0.00 0.00 0.00 0.00 175.76 177.12 1qjo n ALA 30 N -0.82 -3.13 0.00 0.00 0.00 -1.17 -2.85 120.51 112.55 1qjo n ALA 30 Ca -0.08 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1qjo n ALA 30 Cb 0.55 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -4.34 0.00 -2.70 0.00 1.02 -1.25 -4.79 120.64 108.57 1qjo n GLU 31 Ca 0.03 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 1qjo n GLU 31 Cb 0.55 -2.27 -0.03 0.00 -0.02 0.00 0.00 31.44 29.68 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1qjo s GLN 32 N 0.00 3.59 0.00 3.49 -0.44 -1.13 -4.73 119.66 120.43 1qjo s GLN 32 Ca 0.00 0.30 0.00 0.00 -2.50 0.00 0.00 55.36 53.16 1qjo s GLN 32 Cb 0.00 -3.94 0.00 0.00 -1.64 0.00 0.00 33.01 27.43 1qjo s GLN 32 CO 0.00 -1.38 0.24 0.43 0.50 0.00 0.00 175.29 175.08 1qjo n SER 33 N 7.66 -0.48 -0.10 6.67 7.64 -1.26 -2.28 113.62 131.47 1qjo n SER 33 Ca 0.08 -0.39 -0.02 0.00 1.01 0.00 0.00 58.87 59.56 1qjo n SER 33 Cb 0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.67 1qjo n SER 33 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qjo n LEU 34 N 2.43 -0.22 -3.84 -3.43 4.77 0.28 -4.55 117.00 112.43 1qjo n LEU 34 Ca 0.00 0.42 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 1qjo n LEU 34 Cb 0.12 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1qjo n LEU 34 CO 0.12 -0.35 -0.12 0.27 -1.33 0.00 0.00 177.39 175.98 1qjo s ILE 35 N -5.15 0.08 -0.23 -0.08 -4.36 -1.00 -2.30 121.20 108.17 1qjo s ILE 35 Ca -0.03 -0.68 -0.09 0.00 -0.26 0.00 0.00 60.65 59.59 1qjo s ILE 35 Cb 0.03 -0.56 -0.04 0.00 1.25 0.00 0.00 42.46 43.14 1qjo s ILE 35 CO 0.15 -0.38 0.11 -0.89 0.24 0.00 0.00 174.94 174.18 1qjo s THR 36 N -1.59 4.94 0.16 8.37 2.01 0.12 -0.26 115.64 129.39 1qjo s THR 36 Ca -0.13 0.03 0.07 0.00 0.31 0.00 0.00 61.69 61.98 1qjo s THR 36 Cb -0.06 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1qjo s THR 36 CO 0.01 0.37 -0.01 0.68 -0.69 0.00 0.00 174.62 174.99 1qjo s VAL 37 N 1.04 3.72 0.00 3.82 -7.23 0.15 -0.41 120.40 121.49 1qjo s VAL 37 Ca 0.06 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1qjo s VAL 37 Cb -0.14 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1qjo s VAL 37 CO 0.04 -0.08 0.00 1.21 -0.31 0.00 0.00 175.10 175.96 1qjo n GLU 38 N -0.02 0.00 0.00 4.82 2.13 0.08 -0.30 120.64 127.35 1qjo n GLU 38 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1qjo n GLU 38 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 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 0.00 0.08 0.00 8.31 0.00 -1.26 -3.18 105.19 109.14 1qjo n GLY 39 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1qjo n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjo n ASP 40 N 0.00 0.00 0.00 1.61 8.00 -1.26 -4.94 116.55 119.96 1qjo n ASP 40 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1qjo n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1qjo n ASP 40 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1qjo n LYS 41 N 0.00 0.00 0.00 -1.24 2.85 -1.26 -4.62 118.16 113.89 1qjo n LYS 41 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1qjo n LYS 41 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qjo n ALA 42 N -1.02 0.00 -2.92 0.58 0.00 -1.26 -5.17 120.51 110.73 1qjo n ALA 42 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1qjo n ALA 42 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.00 6.36 0.19 0.00 0.15 -1.26 -4.40 113.70 114.74 1qjo s SER 43 Ca 0.00 0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.95 1qjo s SER 43 Cb 0.00 -1.96 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 1qjo s SER 43 CO 0.00 0.16 -0.01 -0.04 1.20 0.00 0.00 173.24 174.55 1qjo s MET 44 N -2.55 1.20 0.10 5.44 -1.94 0.59 -5.01 119.30 117.13 1qjo s MET 44 Ca 0.35 -1.58 0.09 0.00 -1.71 0.00 0.00 55.69 52.84 1qjo s MET 44 Cb -0.13 -0.46 -0.04 0.00 2.01 0.00 0.00 34.83 36.21 1qjo s MET 44 CO 0.28 -0.09 -0.24 -1.21 -0.01 0.00 0.00 175.02 173.75 1qjo s GLU 45 N -3.87 1.36 -0.19 2.03 2.02 -1.26 0.33 118.70 119.11 1qjo s GLU 45 Ca 0.25 -1.21 0.01 0.00 0.02 0.00 0.00 54.97 54.04 1qjo s GLU 45 Cb 0.05 -1.70 0.04 0.00 0.10 0.00 0.00 34.13 32.62 1qjo s GLU 45 CO 0.06 0.41 -0.13 0.08 0.02 0.00 0.00 175.26 175.69 1qjo s VAL 46 N -1.03 1.80 0.85 2.63 1.01 0.64 -4.90 120.40 121.39 1qjo s VAL 46 Ca 0.10 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 1qjo s VAL 46 Cb -0.10 -1.78 0.11 0.00 0.00 0.00 0.00 36.38 34.61 1qjo s VAL 46 CO 0.04 0.28 1.22 -2.16 0.00 0.00 0.00 175.10 174.48 1qjo s PRO 47 N 1.35 1.59 -0.25 2.72 0.04 -1.26 0.99 135.00 140.17 1qjo s PRO 47 Ca 0.00 -0.05 -0.29 0.00 0.04 0.00 0.00 61.00 60.70 1qjo s PRO 47 Cb -0.15 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1qjo s PRO 47 CO -0.09 -1.83 1.25 0.00 0.04 0.00 0.00 177.00 176.37 1qjo s ALA 48 N -3.66 3.49 0.40 8.56 0.00 -0.97 -4.38 121.76 125.22 1qjo s ALA 48 Ca 0.65 0.20 0.28 0.00 0.00 0.00 0.00 51.96 53.09 1qjo s ALA 48 Cb -0.09 -3.70 1.40 0.00 0.00 0.00 0.00 23.12 20.73 1qjo s ALA 48 CO 0.50 -1.51 1.53 -2.30 0.00 0.00 0.00 175.76 173.98 1qjo n PRO 49 N 6.98 -0.04 -2.19 0.00 -0.02 -1.26 -3.87 135.00 134.60 1qjo n PRO 49 Ca 0.14 1.26 -0.04 0.00 -2.02 0.00 0.00 63.50 62.84 1qjo n PRO 49 Cb 0.46 -2.41 0.01 0.00 -0.02 0.00 0.00 33.50 31.54 1qjo n PRO 49 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1qjo n PHE 50 N -4.85 -1.54 -3.61 6.00 -1.74 -1.26 -4.96 117.46 105.51 1qjo n PHE 50 Ca 0.38 -0.80 -0.30 0.00 -0.56 0.00 0.00 57.45 56.18 1qjo n PHE 50 Cb 1.43 0.38 -0.04 0.00 1.52 0.00 0.00 39.48 42.78 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 -1.49 3.76 0.00 1.98 0.00 -1.26 -3.02 121.76 121.73 1qjo s ALA 51 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1qjo s ALA 51 Cb -0.02 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1qjo s ALA 51 CO 0.05 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.73 1qjo n GLY 52 N -0.37 0.39 3.25 0.00 0.00 0.25 -4.83 105.19 103.89 1qjo n GLY 52 Ca -0.03 -1.36 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.99 1.30 -0.05 1.61 1.01 -0.07 0.49 120.40 120.69 1qjo s VAL 53 Ca 0.00 -1.91 -0.27 0.00 0.00 0.00 0.00 61.98 59.80 1qjo s VAL 53 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1qjo s VAL 53 CO 0.00 -0.58 0.86 -0.69 0.00 0.00 0.00 175.10 174.69 1qjo s VAL 54 N -2.73 4.93 0.00 2.92 1.01 -1.14 -2.55 120.40 122.84 1qjo s VAL 54 Ca 0.13 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.89 1qjo s VAL 54 Cb -0.01 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1qjo s VAL 54 CO 0.02 0.17 0.00 1.17 0.00 0.00 0.00 175.10 176.46 1qjo n LYS 55 N 4.09 0.00 -4.19 2.72 4.81 -0.60 -0.70 118.16 124.29 1qjo n LYS 55 Ca 0.03 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.20 1qjo n LYS 55 Cb 0.51 -0.25 -0.17 0.00 0.02 0.00 0.00 35.03 35.14 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 -0.74 1.88 0.05 1.64 2.12 -1.01 -4.81 118.70 117.83 1qjo s GLU 56 Ca 0.00 -0.42 0.05 0.00 0.36 0.00 0.00 54.97 54.97 1qjo s GLU 56 Cb 0.00 -1.72 -0.02 0.00 0.26 0.00 0.00 34.13 32.64 1qjo s GLU 56 CO 0.00 -0.15 -0.15 -0.48 -0.54 0.00 0.00 175.26 173.93 1qjo s LEU 57 N 1.29 2.19 -0.43 2.70 2.34 -1.26 -1.03 118.68 124.48 1qjo s LEU 57 Ca -0.02 -0.50 0.09 0.00 0.06 0.00 0.00 54.13 53.76 1qjo s LEU 57 Cb -0.14 -0.66 0.41 0.00 -0.56 0.00 0.00 46.19 45.24 1qjo s LEU 57 CO -0.05 0.04 0.99 0.29 -1.06 0.00 0.00 176.35 176.56 1qjo n LYS 58 N 1.75 2.46 -3.86 1.48 5.02 -1.26 -5.01 118.16 118.75 1qjo n LYS 58 Ca -0.18 -4.09 -0.13 0.00 -2.02 0.00 0.00 58.31 51.88 1qjo n LYS 58 Cb 0.54 -1.91 -0.14 0.00 -0.02 0.00 0.00 35.03 33.50 1qjo n LYS 58 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qjo s VAL 59 N -4.29 0.00 0.07 -0.18 0.11 -1.26 -5.06 120.40 109.79 1qjo s VAL 59 Ca 0.41 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 1qjo s VAL 59 Cb 0.39 -0.04 -0.00 0.00 -1.53 0.00 0.00 36.38 35.20 1qjo s VAL 59 CO -0.10 0.03 0.00 0.59 -3.33 0.00 0.00 175.10 172.28 1qjo n ASN 60 N 3.34 2.15 -4.36 3.54 4.13 -1.26 -5.05 115.26 117.76 1qjo n ASN 60 Ca -0.16 -1.31 -0.46 0.00 1.68 0.00 0.00 54.58 54.33 1qjo n ASN 60 Cb 0.58 0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.85 1qjo n ASN 60 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1qjo s VAL 61 N -1.27 5.50 0.00 2.41 1.01 -1.26 -2.97 120.40 123.82 1qjo s VAL 61 Ca 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 61.98 59.48 1qjo s VAL 61 Cb 0.00 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.81 1qjo s VAL 61 CO 0.00 -1.17 0.00 0.61 0.00 0.00 0.00 175.10 174.54 1qjo n GLY 62 N 4.02 0.00 3.77 4.51 0.00 0.13 -4.86 105.19 112.75 1qjo n GLY 62 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 5.43 -0.01 1.61 1.11 -1.16 -4.79 116.67 118.86 1qjo s ASP 63 Ca 0.00 -0.10 -0.02 0.00 0.18 0.00 0.00 52.55 52.62 1qjo s ASP 63 Cb 0.00 -1.41 -0.04 0.00 1.07 0.00 0.00 42.92 42.54 1qjo s ASP 63 CO 0.00 0.13 0.12 -1.59 1.18 0.00 0.00 175.17 175.01 1qjo s LYS 64 N -2.68 3.22 0.11 8.23 0.00 -1.26 -0.16 119.74 127.19 1qjo s LYS 64 Ca 0.29 -0.41 -0.03 0.00 0.00 0.00 0.00 55.97 55.83 1qjo s LYS 64 Cb -0.11 -2.96 -0.03 0.00 0.00 0.00 0.00 37.83 34.73 1qjo s LYS 64 CO 0.22 0.67 0.09 0.14 0.00 0.00 0.00 175.35 176.46 1qjo s VAL 65 N -1.23 0.13 -0.19 1.79 -7.23 0.42 -4.96 120.40 109.13 1qjo s VAL 65 Ca 0.24 -1.71 -0.28 0.00 -1.81 0.00 0.00 61.98 58.42 1qjo s VAL 65 Cb -0.12 -1.79 0.11 0.00 0.56 0.00 0.00 36.38 35.13 1qjo s VAL 65 CO 0.15 -0.59 0.92 -0.75 -0.31 0.00 0.00 175.10 174.52 1qjo s LYS 66 N -3.98 0.68 -0.42 4.82 2.20 -1.26 -2.92 119.74 118.86 1qjo s LYS 66 Ca 0.16 0.40 -0.38 0.00 -0.36 0.00 0.00 55.97 55.78 1qjo s LYS 66 Cb 0.07 0.32 -0.16 0.00 -1.51 0.00 0.00 37.83 36.55 1qjo s LYS 66 CO -0.03 -0.16 1.51 -2.37 -0.36 0.00 0.00 175.35 173.94 1qjo n THR 67 N 1.42 0.00 0.00 3.43 5.66 -1.25 -1.67 114.28 121.88 1qjo n THR 67 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1qjo n THR 67 Cb 0.57 -0.42 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 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 4.48 3.35 3.59 1.09 0.00 -0.58 -4.88 105.19 112.24 1qjo n GLY 68 Ca 0.34 -0.96 -0.55 0.00 0.00 0.00 0.00 46.02 44.85 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 0.08 1.32 -3.22 1.61 2.88 -0.67 -4.11 113.62 111.51 1qjo n SER 69 Ca 0.00 1.13 -0.27 0.00 -1.33 0.00 0.00 58.87 58.40 1qjo n SER 69 Cb 0.00 -1.10 -0.02 0.00 -0.75 0.00 0.00 64.21 62.34 1qjo n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qjo n LEU 70 N 2.73 5.86 0.00 2.46 -0.00 -1.26 -0.69 117.00 126.10 1qjo n LEU 70 Ca 0.20 -3.26 0.00 0.00 -0.00 0.00 0.00 56.01 52.96 1qjo n LEU 70 Cb 0.14 -1.21 0.00 0.00 -0.00 0.00 0.00 43.42 42.35 1qjo n LEU 70 CO 0.66 0.96 0.00 -0.38 -0.00 0.00 0.00 177.39 178.63 1qjo n ILE 71 N 4.09 0.00 -3.50 1.47 5.41 0.28 -4.71 119.36 122.40 1qjo n ILE 71 Ca 0.53 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 64.27 1qjo n ILE 71 Cb 0.16 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.10 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 -3.77 0.18 -4.86 0.38 0.00 -1.11 -4.23 117.12 103.72 1qjo n MET 72 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 57.70 56.97 1qjo n MET 72 Cb 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 33.22 33.61 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 -2.48 2.89 0.06 3.17 -4.36 -0.20 0.14 121.20 120.41 1qjo s ILE 73 Ca 0.06 -0.72 0.08 0.00 -0.26 0.00 0.00 60.65 59.80 1qjo s ILE 73 Cb -0.01 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.48 1qjo s ILE 73 CO 0.02 0.53 -0.21 -0.36 0.24 0.00 0.00 174.94 175.16 1qjo s PHE 74 N 0.30 2.47 0.27 1.37 0.08 0.61 -1.56 117.98 121.52 1qjo s PHE 74 Ca -0.11 -0.31 0.08 0.00 0.12 0.00 0.00 56.93 56.71 1qjo s PHE 74 Cb -0.16 -1.41 -0.05 0.00 -0.57 0.00 0.00 43.02 40.82 1qjo s PHE 74 CO 0.06 0.24 -0.11 -2.00 -0.10 0.00 0.00 175.22 173.31 1qjo s GLU 75 N -1.52 1.54 -0.22 0.44 2.12 -1.06 0.75 118.70 120.76 1qjo s GLU 75 Ca 0.14 -1.75 -0.04 0.00 0.36 0.00 0.00 54.97 53.69 1qjo s GLU 75 Cb -0.10 -1.32 -0.01 0.00 0.26 0.00 0.00 34.13 32.95 1qjo s GLU 75 CO 0.05 0.14 -0.04 0.14 -0.54 0.00 0.00 175.26 175.02 1qjo s VAL 76 N -2.86 3.44 -0.87 3.70 -7.23 -1.26 -0.89 120.40 114.43 1qjo s VAL 76 Ca 0.28 -0.47 -0.25 0.00 -1.81 0.00 0.00 61.98 59.72 1qjo s VAL 76 Cb 0.01 -2.56 -0.20 0.00 0.56 0.00 0.00 36.38 34.19 1qjo s VAL 76 CO 0.12 0.42 1.92 -0.62 -0.31 0.00 0.00 175.10 176.63 1qjo n GLU 77 N 4.74 0.86 0.00 4.82 1.02 -1.26 -3.38 120.64 127.44 1qjo n GLU 77 Ca -0.18 -1.87 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 1qjo n GLU 77 Cb 0.51 -3.42 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 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 5.51 -1.73 2.57 0.62 0.00 -1.26 -5.09 105.19 105.80 1qjo n GLY 78 Ca 0.45 0.77 -0.41 0.00 0.00 0.00 0.00 46.02 46.84 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 0.00 6.47 0.00 4.61 0.00 -1.22 -5.16 120.51 125.21 1qjo n ALA 79 Ca 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.26 1qjo n ALA 79 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.69 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50