#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 0.00 -0.53 1.12 0.11 -1.26 -5.04 120.40 114.80 1qjo s VAL 2 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 1qjo s VAL 2 Cb 0.00 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 34.01 1qjo s VAL 2 CO 0.00 0.00 0.35 -0.54 -3.33 0.00 0.00 175.10 171.58 1qjo s LYS 3 N 0.94 1.63 0.35 1.54 -0.14 0.29 -4.95 119.74 119.39 1qjo s LYS 3 Ca -0.04 -2.53 -0.24 0.00 -1.36 0.00 0.00 55.97 51.80 1qjo s LYS 3 Cb -0.05 -2.52 -0.14 0.00 -1.68 0.00 0.00 37.83 33.44 1qjo s LYS 3 CO -0.11 -1.26 0.51 0.39 -0.76 0.00 0.00 175.35 174.12 1qjo n GLU 4 N 2.80 0.43 -4.10 1.68 -0.58 -1.26 -0.26 120.64 119.34 1qjo n GLU 4 Ca 0.18 0.15 -0.33 0.00 -0.42 0.00 0.00 57.16 56.74 1qjo n GLU 4 Cb 0.38 -1.33 -0.16 0.00 -0.57 0.00 0.00 31.44 29.76 1qjo n GLU 4 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1qjo s VAL 5 N -1.35 2.38 0.45 2.62 1.01 0.22 -4.71 120.40 121.02 1qjo s VAL 5 Ca 0.62 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1qjo s VAL 5 Cb -0.70 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1qjo s VAL 5 CO 0.59 0.51 0.09 0.54 0.00 0.00 0.00 175.10 176.83 1qjo s ASN 6 N 1.30 4.15 -0.13 3.32 4.22 -1.26 0.22 114.94 126.76 1qjo s ASN 6 Ca 0.04 -1.35 -0.06 0.00 -2.14 0.00 0.00 52.86 49.35 1qjo s ASN 6 Cb -0.13 -0.13 -0.04 0.00 1.28 0.00 0.00 41.25 42.23 1qjo s ASN 6 CO -0.10 -0.63 0.10 -0.69 -2.04 0.00 0.00 177.10 173.74 1qjo s VAL 7 N -2.73 5.15 0.00 3.54 1.01 -1.04 -4.69 120.40 121.64 1qjo s VAL 7 Ca 0.29 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1qjo s VAL 7 Cb 0.05 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1qjo s VAL 7 CO 0.16 0.57 0.00 -0.81 0.00 0.00 0.00 175.10 175.02 1qjo n PRO 8 N 2.43 0.00 -4.70 2.72 -0.04 -1.26 -1.21 135.00 132.94 1qjo n PRO 8 Ca -0.19 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.97 1qjo n PRO 8 Cb 0.54 -0.19 -0.13 0.00 -0.04 0.00 0.00 33.50 33.68 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 -1.48 3.67 -0.37 3.54 -4.77 -1.26 -4.41 116.67 111.59 1qjo s ASP 9 Ca 0.00 -0.46 0.12 0.00 -3.30 0.00 0.00 52.55 48.90 1qjo s ASP 9 Cb 0.00 -0.54 0.41 0.00 -1.09 0.00 0.00 42.92 41.70 1qjo s ASP 9 CO 0.00 0.25 1.31 2.30 0.70 0.00 0.00 175.17 179.74 1qjo n ILE 10 N 1.58 0.21 0.00 2.11 -0.00 -1.26 -4.92 119.36 117.08 1qjo n ILE 10 Ca -0.16 -1.73 0.00 0.00 -0.00 0.00 0.00 62.75 60.86 1qjo n ILE 10 Cb 0.52 0.96 0.00 0.00 -0.00 0.00 0.00 39.64 41.12 1qjo n ILE 10 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1qjo n GLY 11 N -0.67 2.06 0.00 3.28 0.00 -1.26 -4.47 105.19 104.13 1qjo n GLY 11 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 2.18 1.52 -0.02 0.00 -1.26 -5.13 105.19 102.48 1qjo n GLY 12 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.95 -4.87 1.61 9.92 -1.26 -4.85 116.55 116.15 1qjo n ASP 13 Ca 0.00 -0.92 -0.29 0.00 -0.53 0.00 0.00 54.79 53.05 1qjo n ASP 13 Cb 0.00 -0.42 -0.05 0.00 -0.64 0.00 0.00 41.12 40.01 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 -4.10 3.21 0.21 -1.24 -1.05 -1.26 -4.76 118.70 109.70 1qjo s GLU 14 Ca 0.30 -0.61 0.09 0.00 -0.15 0.00 0.00 54.97 54.60 1qjo s GLU 14 Cb -0.02 -2.88 -0.05 0.00 -0.44 0.00 0.00 34.13 30.74 1qjo s GLU 14 CO 0.23 0.56 -0.17 0.14 0.95 0.00 0.00 175.26 176.97 1qjo s VAL 15 N -1.57 1.90 0.57 1.83 -7.23 0.23 -4.81 120.40 111.33 1qjo s VAL 15 Ca 0.33 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1qjo s VAL 15 Cb -0.12 -2.03 0.04 0.00 0.56 0.00 0.00 36.38 34.83 1qjo s VAL 15 CO 0.26 -0.47 0.80 -1.61 -0.31 0.00 0.00 175.10 173.77 1qjo s GLU 16 N -3.34 2.50 -0.29 4.82 2.02 0.11 0.32 118.70 124.84 1qjo s GLU 16 Ca 0.22 -0.72 -0.08 0.00 0.02 0.00 0.00 54.97 54.41 1qjo s GLU 16 Cb -0.03 -2.45 -0.00 0.00 0.10 0.00 0.00 34.13 31.75 1qjo s GLU 16 CO 0.08 -0.78 0.09 0.08 0.02 0.00 0.00 175.26 174.76 1qjo s VAL 17 N -2.82 4.19 -0.20 2.63 1.01 -0.28 -0.58 120.40 124.35 1qjo s VAL 17 Ca 0.58 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1qjo s VAL 17 Cb -0.10 -3.11 -0.20 0.00 0.00 0.00 0.00 36.38 32.97 1qjo s VAL 17 CO 0.39 0.14 0.06 0.35 0.00 0.00 0.00 175.10 176.03 1qjo n THR 18 N 4.91 1.62 -3.64 3.92 -2.24 0.70 -0.73 114.28 118.81 1qjo n THR 18 Ca -0.15 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 60.87 1qjo n THR 18 Cb 0.49 -1.73 -0.15 0.00 -2.10 0.00 0.00 70.33 66.84 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 -2.50 0.42 -1.20 -0.78 2.02 -1.14 -4.91 118.70 110.62 1qjo s GLU 19 Ca -0.30 -0.67 -0.11 0.00 0.02 0.00 0.00 54.97 53.91 1qjo s GLU 19 Cb 0.08 -1.62 -0.07 0.00 0.10 0.00 0.00 34.13 32.63 1qjo s GLU 19 CO 0.64 -0.93 2.36 1.55 0.02 0.00 0.00 175.26 178.90 1qjo n VAL 20 N 5.09 3.07 -0.28 2.63 3.14 -1.26 -0.44 118.33 130.28 1qjo n VAL 20 Ca -0.05 -2.06 0.22 0.00 -2.96 0.00 0.00 64.34 59.49 1qjo n VAL 20 Cb 0.43 -2.39 0.36 0.00 -1.06 0.00 0.00 33.84 31.18 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 4.77 -0.01 -4.31 1.45 2.81 -0.89 -4.57 117.12 116.37 1qjo n MET 21 Ca 0.57 0.57 -0.22 0.00 -1.81 0.00 0.00 57.70 56.81 1qjo n MET 21 Cb 0.25 -1.20 -0.11 0.00 -0.71 0.00 0.00 33.22 31.44 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 -4.19 1.74 0.27 2.03 1.01 -1.03 -5.03 120.40 115.20 1qjo s VAL 22 Ca -0.03 -1.83 0.04 0.00 0.00 0.00 0.00 61.98 60.16 1qjo s VAL 22 Cb 0.14 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1qjo s VAL 22 CO 0.41 -0.29 0.14 0.29 0.00 0.00 0.00 175.10 175.66 1qjo n LYS 23 N 0.45 0.52 -1.52 2.72 4.76 -1.26 -5.03 118.16 118.80 1qjo n LYS 23 Ca -0.14 -2.46 -0.14 0.00 -2.87 0.00 0.00 58.31 52.70 1qjo n LYS 23 Cb 0.56 1.60 -0.10 0.00 -1.84 0.00 0.00 35.03 35.25 1qjo n LYS 23 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1qjo n VAL 24 N -0.58 0.00 0.00 -0.18 0.31 -1.26 -0.78 118.33 115.83 1qjo n VAL 24 Ca -0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1qjo n VAL 24 Cb 0.44 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 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 6.35 1.90 3.42 2.92 0.00 -0.18 -4.96 105.19 114.64 1qjo n GLY 25 Ca 0.47 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 3.68 -0.13 1.61 1.01 0.04 -4.88 116.67 115.99 1qjo s ASP 26 Ca 0.00 -0.33 -0.29 0.00 0.71 0.00 0.00 52.55 52.64 1qjo s ASP 26 Cb 0.00 -0.64 -0.05 0.00 1.01 0.00 0.00 42.92 43.23 1qjo s ASP 26 CO 0.00 0.32 1.93 -1.59 0.21 0.00 0.00 175.17 176.04 1qjo s LYS 27 N -0.85 3.69 -0.40 8.23 0.00 -1.26 -2.42 119.74 126.73 1qjo s LYS 27 Ca 0.12 2.10 0.01 0.00 0.00 0.00 0.00 55.97 58.20 1qjo s LYS 27 Cb -0.10 -4.19 0.11 0.00 0.00 0.00 0.00 37.83 33.65 1qjo s LYS 27 CO 0.01 -1.45 0.15 0.08 0.00 0.00 0.00 175.35 174.14 1qjo s VAL 28 N 5.99 2.75 0.07 1.79 1.01 0.16 -4.99 120.40 127.18 1qjo s VAL 28 Ca 0.87 -2.40 0.02 0.00 0.00 0.00 0.00 61.98 60.47 1qjo s VAL 28 Cb -0.33 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1qjo s VAL 28 CO 0.35 -0.67 0.09 0.00 0.00 0.00 0.00 175.10 174.87 1qjo s ALA 29 N 0.78 3.59 -0.83 5.51 0.00 -1.26 -0.46 121.76 129.09 1qjo s ALA 29 Ca 0.11 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.86 1qjo s ALA 29 Cb -0.21 -1.47 -0.16 0.00 0.00 0.00 0.00 23.12 21.28 1qjo s ALA 29 CO -0.06 0.75 1.90 0.00 0.00 0.00 0.00 175.76 178.36 1qjo n ALA 30 N 0.54 2.62 0.00 0.00 0.00 -1.23 -0.67 120.51 121.77 1qjo n ALA 30 Ca -0.09 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.19 1qjo n ALA 30 Cb 0.52 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.37 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 7.47 0.00 -3.11 0.00 2.13 -1.26 -4.95 120.64 120.92 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 -0.06 0.00 0.27 0.00 0.00 31.44 32.07 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 4.04 -0.13 5.31 0.74 0.16 -4.86 119.66 124.92 1qjo s GLN 32 Ca 0.00 0.46 -0.38 0.00 0.05 0.00 0.00 55.36 55.49 1qjo s GLN 32 Cb 0.00 -3.68 -0.16 0.00 1.10 0.00 0.00 33.01 30.28 1qjo s GLN 32 CO 0.00 -0.47 1.61 0.45 -0.55 0.00 0.00 175.29 176.33 1qjo n SER 33 N 5.77 2.23 -0.06 6.67 2.88 -1.26 -1.93 113.62 127.91 1qjo n SER 33 Ca -0.01 1.08 -0.07 0.00 -1.33 0.00 0.00 58.87 58.54 1qjo n SER 33 Cb 0.49 -1.18 -0.06 0.00 -0.75 0.00 0.00 64.21 62.71 1qjo n SER 33 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1qjo h LEU 34 N 6.39 0.00 -7.34 2.46 3.38 -0.38 -3.43 115.31 116.40 1qjo h LEU 34 Ca -0.47 -0.41 -0.19 0.00 0.09 0.00 0.00 57.88 56.89 1qjo h LEU 34 Cb 1.32 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.77 1qjo h LEU 34 CO 0.89 0.79 -0.48 0.27 0.09 0.00 0.00 178.44 180.01 1qjo s ILE 35 N -1.93 -0.05 0.24 1.22 -4.36 -0.97 -2.09 121.20 113.25 1qjo s ILE 35 Ca -0.11 0.15 -0.30 0.00 -0.26 0.00 0.00 60.65 60.14 1qjo s ILE 35 Cb -0.00 -0.39 -0.09 0.00 1.25 0.00 0.00 42.46 43.23 1qjo s ILE 35 CO 0.33 0.06 1.16 -0.89 0.24 0.00 0.00 174.94 175.83 1qjo s THR 36 N 1.30 3.49 0.16 8.37 2.01 0.41 -2.20 115.64 129.18 1qjo s THR 36 Ca -0.09 1.37 0.09 0.00 0.31 0.00 0.00 61.69 63.37 1qjo s THR 36 Cb -0.10 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1qjo s THR 36 CO -0.09 0.28 -0.19 0.68 -0.69 0.00 0.00 174.62 174.61 1qjo s VAL 37 N -0.64 1.84 0.00 3.82 -7.23 0.14 -0.22 120.40 118.10 1qjo s VAL 37 Ca 0.49 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1qjo s VAL 37 Cb -0.33 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.79 1qjo s VAL 37 CO 0.40 -0.27 0.00 -0.62 -0.31 0.00 0.00 175.10 174.29 1qjo n GLU 38 N 0.38 0.00 0.00 4.82 -0.58 0.26 -0.40 120.64 125.12 1qjo n GLU 38 Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1qjo n GLU 38 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 1qjo n GLU 38 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qjo n GLY 39 N 0.00 2.04 0.00 0.62 0.00 -1.26 0.09 105.19 106.67 1qjo n GLY 39 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.00 1.61 2.03 -1.26 -5.03 116.55 113.90 1qjo n ASP 40 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1qjo n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 0.00 0.00 -0.67 4.01 -1.26 -4.60 118.16 115.64 1qjo n LYS 41 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1qjo n LYS 41 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qjo n ALA 42 N -1.84 0.00 -1.70 7.82 0.00 -1.26 -5.14 120.51 118.40 1qjo n ALA 42 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1qjo n ALA 42 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1qjo n ALA 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1qjo n SER 43 N 0.00 3.84 -4.64 0.00 7.64 -1.26 -4.77 113.62 114.43 1qjo n SER 43 Ca 0.00 1.03 -0.25 0.00 1.01 0.00 0.00 58.87 60.66 1qjo n SER 43 Cb 0.00 -1.53 -0.09 0.00 -1.01 0.00 0.00 64.21 61.58 1qjo n SER 43 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1qjo s MET 44 N 1.88 2.05 0.13 1.43 1.00 0.46 -5.01 119.30 121.25 1qjo s MET 44 Ca 0.79 -1.85 0.05 0.00 0.00 0.00 0.00 55.69 54.68 1qjo s MET 44 Cb -0.53 -1.86 -0.04 0.00 0.00 0.00 0.00 34.83 32.39 1qjo s MET 44 CO 0.36 0.06 -0.12 -1.21 0.00 0.00 0.00 175.02 174.11 1qjo s GLU 45 N -3.74 1.01 -0.25 2.03 2.02 -1.26 0.24 118.70 118.75 1qjo s GLU 45 Ca 0.36 -1.31 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 1qjo s GLU 45 Cb 0.03 -0.73 0.08 0.00 0.10 0.00 0.00 34.13 33.60 1qjo s GLU 45 CO 0.19 0.12 0.04 0.08 0.02 0.00 0.00 175.26 175.71 1qjo s VAL 46 N -2.66 0.92 0.97 2.63 1.01 -0.93 -4.85 120.40 117.49 1qjo s VAL 46 Ca 0.11 -1.08 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1qjo s VAL 46 Cb -0.02 -1.49 0.19 0.00 0.00 0.00 0.00 36.38 35.06 1qjo s VAL 46 CO 0.02 -0.38 1.24 -2.16 0.00 0.00 0.00 175.10 173.82 1qjo s PRO 47 N 1.64 0.62 -0.45 2.72 0.04 -1.26 0.29 135.00 138.60 1qjo s PRO 47 Ca 0.02 -0.18 -0.28 0.00 0.04 0.00 0.00 61.00 60.60 1qjo s PRO 47 Cb -0.18 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1qjo s PRO 47 CO -0.14 -2.47 1.60 0.00 0.04 0.00 0.00 177.00 176.03 1qjo s ALA 48 N -3.62 2.81 0.35 8.56 0.00 -0.81 -4.43 121.76 124.62 1qjo s ALA 48 Ca 0.70 -0.20 0.21 0.00 0.00 0.00 0.00 51.96 52.67 1qjo s ALA 48 Cb -0.07 -4.05 1.26 0.00 0.00 0.00 0.00 23.12 20.26 1qjo s ALA 48 CO 0.53 -2.80 1.44 -2.30 0.00 0.00 0.00 175.76 172.63 1qjo n PRO 49 N 8.47 -0.05 -4.02 0.00 -0.02 -1.26 -3.56 135.00 134.56 1qjo n PRO 49 Ca 0.18 1.24 -0.12 0.00 -2.02 0.00 0.00 63.50 62.78 1qjo n PRO 49 Cb 0.48 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1qjo n PRO 49 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1qjo s PHE 50 N -5.34 0.76 -0.91 6.00 -0.71 -1.26 -4.89 117.98 111.63 1qjo s PHE 50 Ca -0.08 -1.09 -0.16 0.00 -1.04 0.00 0.00 56.93 54.56 1qjo s PHE 50 Cb 0.31 0.13 0.18 0.00 -1.21 0.00 0.00 43.02 42.42 1qjo s PHE 50 CO 0.72 -1.18 0.98 0.00 -1.34 0.00 0.00 175.22 174.40 1qjo s ALA 51 N -3.13 3.79 0.00 1.99 0.00 -1.26 -3.55 121.76 119.60 1qjo s ALA 51 Ca 0.26 -3.10 0.00 0.00 0.00 0.00 0.00 51.96 49.12 1qjo s ALA 51 Cb -0.01 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1qjo s ALA 51 CO 0.16 -2.61 0.00 0.41 0.00 0.00 0.00 175.76 173.72 1qjo n GLY 52 N 4.60 4.94 3.32 0.00 0.00 0.40 -4.72 105.19 113.71 1qjo n GLY 52 Ca 0.20 -1.63 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.18 1.68 0.03 1.61 1.01 0.63 0.38 120.40 124.56 1qjo s VAL 53 Ca 0.00 -1.96 -0.22 0.00 0.00 0.00 0.00 61.98 59.80 1qjo s VAL 53 Cb 0.00 -1.83 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 1qjo s VAL 53 CO 0.00 -0.42 0.67 -0.69 0.00 0.00 0.00 175.10 174.65 1qjo s VAL 54 N -2.34 4.81 -0.01 2.92 1.01 -1.02 -1.38 120.40 124.39 1qjo s VAL 54 Ca 0.16 1.41 -0.04 0.00 0.00 0.00 0.00 61.98 63.51 1qjo s VAL 54 Cb -0.04 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1qjo s VAL 54 CO 0.06 0.41 -0.08 1.17 0.00 0.00 0.00 175.10 176.66 1qjo n LYS 55 N 2.65 0.11 -4.02 2.72 3.00 0.04 -1.01 118.16 121.65 1qjo n LYS 55 Ca -0.05 0.05 -0.11 0.00 -0.00 0.00 0.00 58.31 58.19 1qjo n LYS 55 Cb 0.51 -0.56 -0.12 0.00 0.00 0.00 0.00 35.03 34.86 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 -1.67 0.40 0.05 1.64 2.12 -1.13 -4.77 118.70 115.34 1qjo s GLU 56 Ca -0.06 -0.62 -0.24 0.00 0.36 0.00 0.00 54.97 54.40 1qjo s GLU 56 Cb 0.01 -0.12 0.06 0.00 0.26 0.00 0.00 34.13 34.34 1qjo s GLU 56 CO 0.09 0.01 0.56 -0.48 -0.54 0.00 0.00 175.26 174.91 1qjo s LEU 57 N -1.36 -0.27 -0.39 2.70 2.34 -1.26 -0.23 118.68 120.22 1qjo s LEU 57 Ca -0.11 0.25 0.12 0.00 0.06 0.00 0.00 54.13 54.44 1qjo s LEU 57 Cb -0.09 2.28 0.43 0.00 -0.56 0.00 0.00 46.19 48.25 1qjo s LEU 57 CO -0.00 -0.74 0.99 0.29 -1.06 0.00 0.00 176.35 175.83 1qjo n LYS 58 N 0.37 2.13 -4.07 1.48 5.02 -1.26 -5.01 118.16 116.82 1qjo n LYS 58 Ca -0.18 -3.85 -0.10 0.00 -2.02 0.00 0.00 58.31 52.16 1qjo n LYS 58 Cb 0.60 -1.73 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 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 -4.07 0.37 0.22 -0.18 0.11 -1.26 -5.09 120.40 110.51 1qjo s VAL 59 Ca 0.38 -1.42 0.01 0.00 -2.93 0.00 0.00 61.98 58.01 1qjo s VAL 59 Cb 0.42 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1qjo s VAL 59 CO -0.07 -0.69 0.27 0.59 -3.33 0.00 0.00 175.10 171.87 1qjo n ASN 60 N 0.80 -0.73 -4.59 3.54 3.02 -1.26 -5.06 115.26 110.98 1qjo n ASN 60 Ca -0.18 -2.28 -0.43 0.00 -0.03 0.00 0.00 54.58 51.66 1qjo n ASN 60 Cb 0.58 1.44 -0.04 0.00 -0.61 0.00 0.00 39.78 41.15 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 -2.74 4.57 0.00 2.41 1.01 -1.26 -1.93 120.40 122.45 1qjo s VAL 61 Ca 0.21 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.24 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 0.15 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.25 1qjo n GLY 62 N 4.54 1.38 3.88 4.51 0.00 0.09 -4.97 105.19 114.62 1qjo n GLY 62 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 5.82 0.11 1.61 -1.08 -0.81 -4.87 116.67 115.45 1qjo s ASP 63 Ca 0.00 -0.12 0.08 0.00 -0.52 0.00 0.00 52.55 51.99 1qjo s ASP 63 Cb 0.00 -1.58 -0.04 0.00 -1.46 0.00 0.00 42.92 39.84 1qjo s ASP 63 CO 0.00 -0.04 -0.14 -1.59 0.52 0.00 0.00 175.17 173.92 1qjo s LYS 64 N -3.83 1.96 0.18 4.34 0.00 -1.26 -1.13 119.74 120.00 1qjo s LYS 64 Ca 0.33 -1.10 0.01 0.00 0.00 0.00 0.00 55.97 55.21 1qjo s LYS 64 Cb -0.08 -2.21 -0.05 0.00 0.00 0.00 0.00 37.83 35.49 1qjo s LYS 64 CO 0.26 0.49 0.04 0.08 0.00 0.00 0.00 175.35 176.22 1qjo s VAL 65 N -1.20 0.51 0.16 1.79 1.01 0.15 -4.98 120.40 117.84 1qjo s VAL 65 Ca 0.20 -1.97 -0.23 0.00 0.00 0.00 0.00 61.98 59.98 1qjo s VAL 65 Cb -0.11 -2.23 0.07 0.00 0.00 0.00 0.00 36.38 34.10 1qjo s VAL 65 CO 0.12 -0.35 0.60 -0.75 0.00 0.00 0.00 175.10 174.72 1qjo s LYS 66 N -3.98 1.30 -0.44 2.72 2.36 -1.26 -0.60 119.74 119.84 1qjo s LYS 66 Ca 0.28 -0.51 -0.42 0.00 -2.55 0.00 0.00 55.97 52.77 1qjo s LYS 66 Cb 0.07 0.59 -0.17 0.00 -1.05 0.00 0.00 37.83 37.26 1qjo s LYS 66 CO 0.06 -0.57 2.01 0.25 1.55 0.00 0.00 175.35 178.65 1qjo n THR 67 N -0.38 0.08 -0.01 3.43 -2.24 -1.26 -0.18 114.28 113.72 1qjo n THR 67 Ca -0.16 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1qjo n THR 67 Cb 0.65 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1qjo n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qjo n GLY 68 N 6.30 0.23 3.70 3.38 0.00 -0.35 -4.96 105.19 113.49 1qjo n GLY 68 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.25 6.72 -0.99 1.61 0.01 0.74 -4.62 113.70 114.92 1qjo s SER 69 Ca 0.00 2.36 -0.15 0.00 1.31 0.00 0.00 55.95 59.48 1qjo s SER 69 Cb 0.00 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.57 1qjo s SER 69 CO 0.00 -0.77 2.11 -0.11 0.41 0.00 0.00 173.24 174.88 1qjo n LEU 70 N 4.86 5.15 -0.30 2.44 7.94 -1.26 -2.50 117.00 133.34 1qjo n LEU 70 Ca 0.14 -3.21 -0.08 0.00 -1.11 0.00 0.00 56.01 51.75 1qjo n LEU 70 Cb 0.41 -1.23 -0.07 0.00 0.53 0.00 0.00 43.42 43.06 1qjo n LEU 70 CO 0.60 0.36 0.40 -0.38 -1.11 0.00 0.00 177.39 177.26 1qjo n ILE 71 N 5.13 -0.48 -4.14 1.96 -0.00 0.13 -4.78 119.36 117.17 1qjo n ILE 71 Ca 0.51 1.89 -0.14 0.00 -0.00 0.00 0.00 62.75 65.00 1qjo n ILE 71 Cb 0.31 -2.35 -0.07 0.00 -0.00 0.00 0.00 39.64 37.53 1qjo n ILE 71 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1qjo s MET 72 N -5.09 1.64 -0.20 0.38 0.23 -1.15 -4.31 119.30 110.80 1qjo s MET 72 Ca -0.09 -1.70 -0.02 0.00 -1.03 0.00 0.00 55.69 52.85 1qjo s MET 72 Cb 0.08 0.38 -0.00 0.00 -1.53 0.00 0.00 34.83 33.75 1qjo s MET 72 CO 0.44 -0.64 -0.09 0.42 -2.03 0.00 0.00 175.02 173.13 1qjo s ILE 73 N -3.57 3.09 0.43 3.16 1.01 0.68 0.72 121.20 126.71 1qjo s ILE 73 Ca 0.34 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.44 1qjo s ILE 73 Cb 0.02 -2.37 0.05 0.00 0.01 0.00 0.00 42.46 40.17 1qjo s ILE 73 CO 0.18 0.46 0.43 0.49 0.00 0.00 0.00 174.94 176.50 1qjo n PHE 74 N 4.52 -1.45 -3.82 3.97 3.72 0.64 -0.78 117.46 124.25 1qjo n PHE 74 Ca -0.19 -1.70 -0.09 0.00 -0.05 0.00 0.00 57.45 55.42 1qjo n PHE 74 Cb 0.51 -0.37 -0.05 0.00 -0.94 0.00 0.00 39.48 38.63 1qjo n PHE 74 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1qjo s GLU 75 N -3.82 1.36 -0.74 -1.08 2.56 -0.48 0.10 118.70 116.60 1qjo s GLU 75 Ca 0.32 -0.98 0.04 0.00 0.00 0.00 0.00 54.97 54.35 1qjo s GLU 75 Cb -0.03 0.48 0.26 0.00 2.00 0.00 0.00 34.13 36.85 1qjo s GLU 75 CO 0.21 -0.56 0.91 1.33 -0.56 0.00 0.00 175.26 176.59 1qjo n VAL 76 N -0.32 3.04 0.00 3.70 0.24 -1.26 -0.27 118.33 123.46 1qjo n VAL 76 Ca -0.08 -5.39 0.00 0.00 -2.04 0.00 0.00 64.34 56.83 1qjo n VAL 76 Cb 0.62 -2.09 0.00 0.00 -1.47 0.00 0.00 33.84 30.90 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 0.95 0.00 0.00 7.34 1.02 -1.26 -4.81 120.64 123.88 1qjo n GLU 77 Ca 0.29 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1qjo n GLU 77 Cb 0.39 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 -0.77 -0.89 2.67 0.62 0.00 -1.26 -5.02 105.19 100.54 1qjo n GLY 78 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.88 -0.10 4.61 0.00 -1.26 -5.17 120.51 117.71 1qjo n ALA 79 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1qjo n ALA 79 Cb 0.48 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50