#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjo s VAL 2 N 0.00 2.93 -0.01 1.12 1.01 -1.26 -3.17 120.40 121.01 1qjo s VAL 2 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1qjo s VAL 2 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1qjo s VAL 2 CO 0.00 -0.00 -0.14 -0.75 0.00 0.00 0.00 175.10 174.21 1qjo s LYS 3 N 4.12 1.12 0.44 2.72 2.36 0.20 -4.98 119.74 125.72 1qjo s LYS 3 Ca 0.87 -0.49 -0.10 0.00 -2.55 0.00 0.00 55.97 53.70 1qjo s LYS 3 Cb -0.43 -1.07 -0.06 0.00 -1.05 0.00 0.00 37.83 35.21 1qjo s LYS 3 CO 0.40 0.29 0.80 -1.83 1.55 0.00 0.00 175.35 176.57 1qjo s GLU 4 N -0.30 3.74 -0.20 4.03 4.04 -1.26 0.10 118.70 128.85 1qjo s GLU 4 Ca 0.05 0.47 -0.01 0.00 0.04 0.00 0.00 54.97 55.52 1qjo s GLU 4 Cb -0.05 -2.35 0.01 0.00 0.02 0.00 0.00 34.13 31.75 1qjo s GLU 4 CO -0.00 -0.11 -0.13 0.08 -1.84 0.00 0.00 175.26 173.25 1qjo s VAL 5 N -2.50 2.62 0.48 1.83 1.01 0.37 -4.73 120.40 119.49 1qjo s VAL 5 Ca 0.51 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1qjo s VAL 5 Cb -0.10 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1qjo s VAL 5 CO 0.35 0.48 0.31 0.54 0.00 0.00 0.00 175.10 176.78 1qjo s ASN 6 N 1.37 4.62 -0.16 3.32 2.20 -1.26 -0.26 114.94 124.76 1qjo s ASN 6 Ca 0.05 -1.14 -0.13 0.00 -0.94 0.00 0.00 52.86 50.70 1qjo s ASN 6 Cb -0.14 0.01 -0.05 0.00 -2.00 0.00 0.00 41.25 39.08 1qjo s ASN 6 CO -0.09 -0.86 0.26 -0.69 -2.94 0.00 0.00 177.10 172.78 1qjo s VAL 7 N -2.68 5.32 0.00 3.54 1.01 -1.06 -4.74 120.40 121.80 1qjo s VAL 7 Ca 0.36 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1qjo s VAL 7 Cb -0.01 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1qjo s VAL 7 CO 0.21 0.40 0.00 -0.81 0.00 0.00 0.00 175.10 174.91 1qjo n PRO 8 N 3.51 0.00 -2.14 2.72 -0.04 -1.26 0.36 135.00 138.16 1qjo n PRO 8 Ca -0.13 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.15 1qjo n PRO 8 Cb 0.52 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.00 4.21 -3.21 3.54 5.68 -1.26 -4.62 116.55 120.89 1qjo n ASP 9 Ca 0.00 -3.42 -0.36 0.00 -0.50 0.00 0.00 54.79 50.51 1qjo n ASP 9 Cb 0.00 -0.37 -0.03 0.00 -1.14 0.00 0.00 41.12 39.58 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 -0.69 4.53 -1.45 2.12 -5.35 -1.26 -4.93 119.36 112.32 1qjo n ILE 10 Ca 0.36 -3.23 -0.52 0.00 -0.27 0.00 0.00 62.75 59.09 1qjo n ILE 10 Cb 0.93 -2.27 -0.08 0.00 -1.74 0.00 0.00 39.64 36.48 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 2.54 0.48 0.00 3.28 0.00 -1.26 -4.77 105.19 105.47 1qjo n GLY 11 Ca 0.67 0.95 0.00 0.00 0.00 0.00 0.00 46.02 47.64 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 6.40 -1.42 0.11 -0.02 0.00 -1.26 -5.02 105.19 103.98 1qjo n GLY 12 Ca 0.41 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.18 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 0.00 1.61 8.00 -1.26 -4.12 116.55 120.78 1qjo n ASP 13 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1qjo n ASP 13 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1qjo n ASP 13 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1qjo n GLU 14 N 0.00 0.00 -4.04 -1.24 2.13 -1.26 -5.17 120.64 111.06 1qjo n GLU 14 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1qjo n GLU 14 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 1qjo n GLU 14 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1qjo s VAL 15 N -0.75 0.34 0.40 6.31 -7.23 -1.16 -4.80 120.40 113.52 1qjo s VAL 15 Ca 0.00 -0.68 0.08 0.00 -1.81 0.00 0.00 61.98 59.56 1qjo s VAL 15 Cb 0.00 -0.39 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 1qjo s VAL 15 CO 0.00 -0.23 0.18 -1.83 -0.31 0.00 0.00 175.10 172.91 1qjo s GLU 16 N -0.97 2.25 -0.14 4.82 -1.05 -0.91 -0.74 118.70 121.96 1qjo s GLU 16 Ca -0.07 -1.79 -0.16 0.00 -0.15 0.00 0.00 54.97 52.80 1qjo s GLU 16 Cb -0.07 -2.02 -0.04 0.00 -0.44 0.00 0.00 34.13 31.56 1qjo s GLU 16 CO -0.00 -0.09 0.39 0.08 0.95 0.00 0.00 175.26 176.59 1qjo s VAL 17 N -2.57 5.25 -0.19 1.83 1.01 0.40 -0.44 120.40 125.68 1qjo s VAL 17 Ca 0.41 0.75 -0.07 0.00 0.00 0.00 0.00 61.98 63.07 1qjo s VAL 17 Cb 0.03 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 1qjo s VAL 17 CO 0.23 0.36 -0.23 0.35 0.00 0.00 0.00 175.10 175.80 1qjo n THR 18 N 3.63 1.08 -3.80 3.92 -2.24 0.23 0.89 114.28 117.98 1qjo n THR 18 Ca -0.09 -0.31 -0.29 0.00 -2.27 0.00 0.00 64.05 61.08 1qjo n THR 18 Cb 0.52 -1.59 -0.16 0.00 -2.10 0.00 0.00 70.33 67.00 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 -2.36 0.98 -1.38 -0.78 2.02 -1.18 -4.84 118.70 111.15 1qjo s GLU 19 Ca -0.27 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 53.72 1qjo s GLU 19 Cb 0.09 -2.26 0.09 0.00 0.10 0.00 0.00 34.13 32.16 1qjo s GLU 19 CO 0.37 -0.76 2.06 1.55 0.02 0.00 0.00 175.26 178.50 1qjo n VAL 20 N 4.84 3.83 -0.10 2.63 3.14 -1.26 -0.62 118.33 130.79 1qjo n VAL 20 Ca -0.07 -3.62 0.01 0.00 -2.96 0.00 0.00 64.34 57.70 1qjo n VAL 20 Cb 0.44 -2.50 0.02 0.00 -1.06 0.00 0.00 33.84 30.75 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 5.27 -0.04 -3.27 1.45 2.81 -0.96 -4.65 117.12 117.73 1qjo n MET 21 Ca 0.47 0.42 -0.22 0.00 -1.81 0.00 0.00 57.70 56.56 1qjo n MET 21 Cb 0.38 -0.62 0.05 0.00 -0.71 0.00 0.00 33.22 32.32 1qjo n MET 21 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1qjo s VAL 22 N -5.30 1.88 0.18 2.03 -7.23 -1.20 -5.07 120.40 105.70 1qjo s VAL 22 Ca -0.04 -1.13 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1qjo s VAL 22 Cb 0.06 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 1qjo s VAL 22 CO 0.20 0.00 0.11 -0.54 -0.31 0.00 0.00 175.10 174.57 1qjo s LYS 23 N -4.61 1.13 -0.80 4.82 -0.14 -1.26 -5.06 119.74 113.82 1qjo s LYS 23 Ca 0.55 -1.57 -0.26 0.00 -1.36 0.00 0.00 55.97 53.33 1qjo s LYS 23 Cb -0.04 0.27 -0.14 0.00 -1.68 0.00 0.00 37.83 36.23 1qjo s LYS 23 CO 0.35 -0.36 2.41 0.08 -0.76 0.00 0.00 175.35 177.07 1qjo s VAL 24 N -4.13 3.01 0.00 3.17 1.01 -1.26 -1.35 120.40 120.85 1qjo s VAL 24 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1qjo s VAL 24 Cb 0.07 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1qjo s VAL 24 CO 0.09 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1qjo n GLY 25 N 6.80 0.35 3.88 4.51 0.00 0.16 -4.96 105.19 115.93 1qjo n GLY 25 Ca 0.47 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.56 6.47 0.26 1.61 1.01 -0.46 -4.79 116.67 120.22 1qjo s ASP 26 Ca 0.00 0.55 -0.30 0.00 0.71 0.00 0.00 52.55 53.51 1qjo s ASP 26 Cb 0.00 -2.09 -0.10 0.00 1.01 0.00 0.00 42.92 41.73 1qjo s ASP 26 CO 0.00 0.36 1.45 -0.54 0.21 0.00 0.00 175.17 176.65 1qjo s LYS 27 N -1.23 4.26 -0.14 8.23 1.02 -1.26 -1.02 119.74 129.59 1qjo s LYS 27 Ca 0.19 2.32 -0.01 0.00 0.02 0.00 0.00 55.97 58.49 1qjo s LYS 27 Cb -0.13 -3.10 0.04 0.00 -0.52 0.00 0.00 37.83 34.12 1qjo s LYS 27 CO 0.09 -0.43 -0.02 0.08 -0.92 0.00 0.00 175.35 174.15 1qjo s VAL 28 N -0.07 0.79 0.16 3.17 1.01 0.21 -4.91 120.40 120.76 1qjo s VAL 28 Ca 0.59 -0.39 0.10 0.00 0.00 0.00 0.00 61.98 62.29 1qjo s VAL 28 Cb -0.42 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1qjo s VAL 28 CO 0.44 0.11 -0.21 0.00 0.00 0.00 0.00 175.10 175.45 1qjo s ALA 29 N 1.78 2.60 -0.86 5.51 0.00 -1.26 -0.16 121.76 129.37 1qjo s ALA 29 Ca 0.02 -1.52 -0.23 0.00 0.00 0.00 0.00 51.96 50.24 1qjo s ALA 29 Cb -0.15 -0.48 -0.15 0.00 0.00 0.00 0.00 23.12 22.35 1qjo s ALA 29 CO -0.07 0.49 1.91 0.00 0.00 0.00 0.00 175.76 178.10 1qjo n ALA 30 N 0.48 2.79 0.00 0.00 0.00 -1.21 -0.27 120.51 122.29 1qjo n ALA 30 Ca -0.14 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.09 1qjo n ALA 30 Cb 0.55 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.40 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 7.41 0.00 -3.23 0.00 2.13 -1.26 -4.96 120.64 120.73 1qjo n GLU 31 Ca 0.48 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.89 1qjo n GLU 31 Cb 0.42 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.06 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1qjo s GLN 32 N 0.00 3.82 -0.03 5.31 0.74 0.63 -4.88 119.66 125.24 1qjo s GLN 32 Ca 0.00 0.06 -0.38 0.00 0.05 0.00 0.00 55.36 55.09 1qjo s GLN 32 Cb 0.00 -3.74 -0.16 0.00 1.10 0.00 0.00 33.01 30.20 1qjo s GLN 32 CO 0.00 -0.53 1.48 0.43 -0.55 0.00 0.00 175.29 176.12 1qjo n SER 33 N 5.68 1.91 -0.08 6.67 7.64 -1.26 -2.13 113.62 132.05 1qjo n SER 33 Ca -0.04 1.10 -0.12 0.00 1.01 0.00 0.00 58.87 60.82 1qjo n SER 33 Cb 0.49 -1.18 -0.06 0.00 -1.01 0.00 0.00 64.21 62.45 1qjo n SER 33 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1qjo h LEU 34 N 5.45 0.00 -7.60 -3.43 3.38 -0.08 -3.42 115.31 109.61 1qjo h LEU 34 Ca -0.47 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.12 1qjo h LEU 34 Cb 1.33 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.89 1qjo h LEU 34 CO 0.84 1.07 -0.32 0.27 0.09 0.00 0.00 178.44 180.38 1qjo s ILE 35 N -2.25 0.08 -0.14 1.22 -0.00 -1.06 -2.27 121.20 116.77 1qjo s ILE 35 Ca -0.20 -0.64 -0.09 0.00 -0.00 0.00 0.00 60.65 59.72 1qjo s ILE 35 Cb 0.03 -0.73 -0.04 0.00 -0.00 0.00 0.00 42.46 41.72 1qjo s ILE 35 CO 0.39 -0.35 0.16 -0.89 -0.00 0.00 0.00 174.94 174.24 1qjo s THR 36 N -1.89 5.44 0.07 8.37 2.01 0.21 -1.47 115.64 128.38 1qjo s THR 36 Ca -0.10 0.25 0.08 0.00 0.31 0.00 0.00 61.69 62.23 1qjo s THR 36 Cb -0.04 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 1qjo s THR 36 CO 0.00 0.55 -0.22 0.68 -0.69 0.00 0.00 174.62 174.94 1qjo s VAL 37 N -0.53 1.80 0.18 3.82 -7.23 0.10 -0.60 120.40 117.94 1qjo s VAL 37 Ca 0.13 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1qjo s VAL 37 Cb -0.12 -1.58 -0.00 0.00 0.56 0.00 0.00 36.38 35.23 1qjo s VAL 37 CO 0.03 0.14 0.03 1.21 -0.31 0.00 0.00 175.10 176.19 1qjo n GLU 38 N 1.54 1.19 0.00 4.82 2.13 0.41 -0.36 120.64 130.37 1qjo n GLU 38 Ca -0.18 -1.39 0.00 0.00 0.66 0.00 0.00 57.16 56.25 1qjo n GLU 38 Cb 0.53 0.54 0.00 0.00 0.27 0.00 0.00 31.44 32.78 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 1.96 4.66 0.00 8.31 0.00 -1.26 -2.14 105.19 116.72 1qjo n GLY 39 Ca -0.05 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.30 1.61 9.92 -1.26 -1.62 116.55 124.90 1qjo n ASP 40 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1qjo n ASP 40 Cb 0.00 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.50 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 -0.20 0.00 -1.24 5.02 -1.26 -4.90 118.16 115.58 1qjo n LYS 41 Ca 0.00 1.20 0.00 0.00 -2.02 0.00 0.00 58.31 57.49 1qjo n LYS 41 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qjo n ALA 42 N -3.57 0.00 -2.31 7.82 0.00 -0.64 -5.15 120.51 116.66 1qjo n ALA 42 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 1qjo n ALA 42 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 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 6.98 0.31 0.00 0.15 -1.26 -4.10 113.70 115.78 1qjo s SER 43 Ca 0.00 1.19 0.03 0.00 0.70 0.00 0.00 55.95 57.87 1qjo s SER 43 Cb 0.00 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 1qjo s SER 43 CO 0.00 0.23 0.11 -0.04 1.20 0.00 0.00 173.24 174.73 1qjo s MET 44 N -1.35 1.61 0.20 5.44 1.00 0.52 -5.00 119.30 121.71 1qjo s MET 44 Ca 0.31 -1.91 0.10 0.00 0.00 0.00 0.00 55.69 54.19 1qjo s MET 44 Cb -0.18 -0.45 -0.04 0.00 0.00 0.00 0.00 34.83 34.15 1qjo s MET 44 CO 0.19 -0.33 -0.20 -1.21 0.00 0.00 0.00 175.02 173.47 1qjo s GLU 45 N -3.89 1.43 -0.09 2.03 2.02 -1.26 0.02 118.70 118.95 1qjo s GLU 45 Ca 0.35 -1.54 -0.00 0.00 0.02 0.00 0.00 54.97 53.79 1qjo s GLU 45 Cb 0.07 -1.53 0.02 0.00 0.10 0.00 0.00 34.13 32.79 1qjo s GLU 45 CO 0.15 0.30 -0.06 0.08 0.02 0.00 0.00 175.26 175.75 1qjo s VAL 46 N -2.18 0.85 0.86 2.63 1.01 -0.54 -4.93 120.40 118.09 1qjo s VAL 46 Ca 0.21 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1qjo s VAL 46 Cb -0.05 -0.89 0.17 0.00 0.00 0.00 0.00 36.38 35.61 1qjo s VAL 46 CO 0.09 0.33 1.18 -2.16 0.00 0.00 0.00 175.10 174.54 1qjo s PRO 47 N 1.55 1.04 -0.40 2.72 0.04 -1.26 0.60 135.00 139.30 1qjo s PRO 47 Ca 0.01 -0.80 -0.28 0.00 0.04 0.00 0.00 61.00 59.97 1qjo s PRO 47 Cb -0.13 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1qjo s PRO 47 CO -0.05 -2.01 1.89 0.00 0.04 0.00 0.00 177.00 176.86 1qjo s ALA 48 N -3.55 2.60 0.18 8.56 0.00 -0.91 -4.57 121.76 124.06 1qjo s ALA 48 Ca 0.71 0.06 0.09 0.00 0.00 0.00 0.00 51.96 52.83 1qjo s ALA 48 Cb -0.04 -4.11 0.63 0.00 0.00 0.00 0.00 23.12 19.59 1qjo s ALA 48 CO 0.49 -3.09 0.77 -2.30 0.00 0.00 0.00 175.76 171.63 1qjo n PRO 49 N 8.67 -0.03 -3.00 0.00 -0.02 -1.26 -3.59 135.00 135.78 1qjo n PRO 49 Ca 0.24 0.68 -0.08 0.00 -2.02 0.00 0.00 63.50 62.32 1qjo n PRO 49 Cb 0.49 -1.20 -0.00 0.00 -0.02 0.00 0.00 33.50 32.77 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 -4.14 -1.49 -3.51 6.00 -1.74 -1.26 -4.87 117.46 106.44 1qjo n PHE 50 Ca 0.18 -1.40 -0.40 0.00 -0.56 0.00 0.00 57.45 55.27 1qjo n PHE 50 Cb 0.60 0.48 -0.10 0.00 1.52 0.00 0.00 39.48 41.98 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 -2.05 3.51 0.00 1.98 0.00 -1.26 -3.36 121.76 120.58 1qjo s ALA 51 Ca 0.15 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1qjo s ALA 51 Cb -0.02 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1qjo s ALA 51 CO 0.11 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1qjo n GLY 52 N 5.04 1.07 3.70 0.00 0.00 0.78 -4.55 105.19 111.23 1qjo n GLY 52 Ca -0.12 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.42 3.87 -0.34 1.61 1.01 -1.05 0.67 120.40 123.75 1qjo s VAL 53 Ca 0.00 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 1qjo s VAL 53 Cb 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1qjo s VAL 53 CO 0.00 -0.24 1.29 -0.69 0.00 0.00 0.00 175.10 175.46 1qjo s VAL 54 N -1.99 4.13 -0.16 2.92 1.01 -0.19 -0.60 120.40 125.53 1qjo s VAL 54 Ca 0.30 1.24 -0.08 0.00 0.00 0.00 0.00 61.98 63.44 1qjo s VAL 54 Cb -0.08 -4.23 -0.24 0.00 0.00 0.00 0.00 36.38 31.83 1qjo s VAL 54 CO 0.21 -0.59 0.25 1.17 0.00 0.00 0.00 175.10 176.13 1qjo n LYS 55 N 7.49 0.71 -3.52 2.72 0.00 0.83 0.37 118.16 126.77 1qjo n LYS 55 Ca 0.15 0.29 -0.09 0.00 0.00 0.00 0.00 58.31 58.66 1qjo n LYS 55 Cb 0.47 -1.68 -0.02 0.00 0.00 0.00 0.00 35.03 33.80 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 -2.52 1.01 -0.04 1.64 2.12 -0.72 -4.81 118.70 115.38 1qjo s GLU 56 Ca -0.25 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 1qjo s GLU 56 Cb 0.07 0.45 0.09 0.00 0.26 0.00 0.00 34.13 34.99 1qjo s GLU 56 CO 0.71 -0.45 0.76 -0.48 -0.54 0.00 0.00 175.26 175.27 1qjo s LEU 57 N -2.61 -0.55 -0.40 2.70 2.34 -1.26 0.32 118.68 119.22 1qjo s LEU 57 Ca 0.05 0.49 0.09 0.00 0.06 0.00 0.00 54.13 54.82 1qjo s LEU 57 Cb -0.01 2.34 0.43 0.00 -0.56 0.00 0.00 46.19 48.40 1qjo s LEU 57 CO -0.09 -0.59 1.07 0.29 -1.06 0.00 0.00 176.35 175.97 1qjo n LYS 58 N 0.60 2.73 -3.84 1.48 5.02 -1.21 -5.00 118.16 117.93 1qjo n LYS 58 Ca -0.16 -4.11 -0.13 0.00 -2.02 0.00 0.00 58.31 51.90 1qjo n LYS 58 Cb 0.59 -1.94 -0.15 0.00 -0.02 0.00 0.00 35.03 33.51 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 -4.76 -0.02 0.51 -0.18 0.11 -1.26 -5.04 120.40 109.77 1qjo s VAL 59 Ca 0.42 0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.56 1qjo s VAL 59 Cb 0.42 -0.03 -0.00 0.00 -1.53 0.00 0.00 36.38 35.23 1qjo s VAL 59 CO -0.11 0.03 0.12 0.20 -3.33 0.00 0.00 175.10 172.01 1qjo s ASN 60 N 0.31 4.28 -0.33 3.54 -0.87 -1.26 -5.03 114.94 115.58 1qjo s ASN 60 Ca -0.03 -1.50 -0.25 0.00 -1.57 0.00 0.00 52.86 49.51 1qjo s ASN 60 Cb -0.04 0.41 0.01 0.00 -0.02 0.00 0.00 41.25 41.61 1qjo s ASN 60 CO -0.01 -0.90 0.87 -0.69 -2.57 0.00 0.00 177.10 173.80 1qjo s VAL 61 N -2.83 4.68 0.00 1.60 1.01 -1.26 -2.16 120.40 121.44 1qjo s VAL 61 Ca 0.16 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1qjo s VAL 61 Cb 0.01 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1qjo s VAL 61 CO 0.10 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.41 1qjo n GLY 62 N 4.25 1.32 3.41 4.51 0.00 0.26 -4.96 105.19 113.98 1qjo n GLY 62 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.03 0.00 -0.13 1.61 1.01 -0.92 -4.35 116.67 112.87 1qjo s ASP 63 Ca 0.00 1.13 -0.05 0.00 0.71 0.00 0.00 52.55 54.34 1qjo s ASP 63 Cb 0.00 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 1qjo s ASP 63 CO 0.00 -4.75 0.06 -0.54 0.21 0.00 0.00 175.17 170.15 1qjo s LYS 64 N -4.80 3.47 0.01 8.23 -0.14 -1.26 -0.45 119.74 124.79 1qjo s LYS 64 Ca 0.69 -0.32 0.03 0.00 -1.36 0.00 0.00 55.97 55.01 1qjo s LYS 64 Cb -0.19 -3.04 -0.01 0.00 -1.68 0.00 0.00 37.83 32.91 1qjo s LYS 64 CO 0.61 0.56 -0.11 0.14 -0.76 0.00 0.00 175.35 175.79 1qjo s VAL 65 N -0.44 0.85 -0.05 3.17 -7.23 0.08 -4.96 120.40 111.81 1qjo s VAL 65 Ca 0.10 -0.67 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 1qjo s VAL 65 Cb -0.12 -0.75 0.03 0.00 0.56 0.00 0.00 36.38 36.10 1qjo s VAL 65 CO 0.02 0.09 0.08 -0.75 -0.31 0.00 0.00 175.10 174.22 1qjo s LYS 66 N -0.66 -0.03 -0.11 4.82 2.20 -1.26 -2.98 119.74 121.72 1qjo s LYS 66 Ca 0.02 0.37 -0.05 0.00 -0.36 0.00 0.00 55.97 55.95 1qjo s LYS 66 Cb -0.06 -0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 35.87 1qjo s LYS 66 CO 0.00 -0.27 0.34 2.41 -0.36 0.00 0.00 175.35 177.47 1qjo n THR 67 N 4.93 0.00 0.00 3.43 -1.04 -1.26 -0.89 114.28 119.45 1qjo n THR 67 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1qjo n THR 67 Cb 0.50 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1qjo n THR 67 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qjo n GLY 68 N 0.93 3.18 3.13 3.41 0.00 0.16 -4.85 105.19 111.16 1qjo n GLY 68 Ca 0.08 -1.11 -0.44 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 -1.20 -2.98 1.61 2.88 -0.06 -3.92 113.62 109.94 1qjo n SER 69 Ca 0.00 1.03 -0.32 0.00 -1.33 0.00 0.00 58.87 58.25 1qjo n SER 69 Cb 0.00 -0.87 -0.06 0.00 -0.75 0.00 0.00 64.21 62.52 1qjo n SER 69 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1qjo n LEU 70 N 1.86 7.83 -0.06 2.46 0.00 -1.26 -2.55 117.00 125.27 1qjo n LEU 70 Ca 0.16 -4.10 -0.01 0.00 0.00 0.00 0.00 56.01 52.06 1qjo n LEU 70 Cb 0.24 -1.51 -0.01 0.00 0.00 0.00 0.00 43.42 42.13 1qjo n LEU 70 CO 0.52 1.98 0.25 -0.38 0.00 0.00 0.00 177.39 179.75 1qjo n ILE 71 N 3.16 -0.09 -4.16 1.96 2.08 0.64 -4.76 119.36 118.18 1qjo n ILE 71 Ca 0.69 0.88 -0.13 0.00 0.56 0.00 0.00 62.75 64.75 1qjo n ILE 71 Cb 0.41 -1.14 -0.08 0.00 -0.75 0.00 0.00 39.64 38.08 1qjo n ILE 71 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1qjo s MET 72 N -3.60 1.42 -0.18 0.38 0.23 -1.17 -3.28 119.30 113.09 1qjo s MET 72 Ca -0.02 -1.62 -0.01 0.00 -1.03 0.00 0.00 55.69 53.01 1qjo s MET 72 Cb 0.01 0.34 -0.00 0.00 -1.53 0.00 0.00 34.83 33.65 1qjo s MET 72 CO 0.08 -0.52 -0.12 0.42 -2.03 0.00 0.00 175.02 172.85 1qjo s ILE 73 N -3.92 2.82 -0.01 3.16 1.01 0.15 0.14 121.20 124.54 1qjo s ILE 73 Ca 0.35 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 60.30 1qjo s ILE 73 Cb 0.04 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1qjo s ILE 73 CO 0.14 0.49 0.06 -0.36 0.00 0.00 0.00 174.94 175.28 1qjo s PHE 74 N 1.11 3.25 -0.35 3.97 0.08 0.28 -0.12 117.98 126.20 1qjo s PHE 74 Ca 0.00 0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.29 1qjo s PHE 74 Cb -0.14 -1.74 0.10 0.00 -0.57 0.00 0.00 43.02 40.67 1qjo s PHE 74 CO -0.04 0.54 0.07 -2.00 -0.10 0.00 0.00 175.22 173.69 1qjo s GLU 75 N -1.62 1.47 -0.90 0.44 2.56 0.23 0.62 118.70 121.51 1qjo s GLU 75 Ca 0.21 -1.89 -0.17 0.00 0.00 0.00 0.00 54.97 53.12 1qjo s GLU 75 Cb -0.12 -3.14 -0.25 0.00 2.00 0.00 0.00 34.13 32.62 1qjo s GLU 75 CO 0.12 -0.96 2.28 1.33 -0.56 0.00 0.00 175.26 177.47 1qjo n VAL 76 N 4.19 -0.00 -0.12 3.70 0.24 -1.19 -2.52 118.33 122.63 1qjo n VAL 76 Ca 0.04 -0.50 0.02 0.00 -2.04 0.00 0.00 64.34 61.86 1qjo n VAL 76 Cb 0.41 -0.93 0.05 0.00 -1.47 0.00 0.00 33.84 31.90 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 7.04 -0.03 0.02 7.34 1.02 -1.26 -3.85 120.64 130.92 1qjo n GLU 77 Ca 0.58 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 58.25 1qjo n GLU 77 Cb 0.27 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 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 -1.21 -0.03 0.00 0.62 0.00 -1.26 -4.89 105.19 98.42 1qjo n GLY 78 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.72 0.00 0.00 4.61 0.00 -1.25 -4.93 120.51 116.21 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