#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 -5.00 -4.51 2.03 0.31 -1.26 -5.05 118.33 104.84 1qjo n VAL 2 Ca 0.00 2.22 -0.23 0.00 -0.01 0.00 0.00 64.34 66.32 1qjo n VAL 2 Cb 0.00 -3.05 -0.14 0.00 -0.91 0.00 0.00 33.84 29.74 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 -3.43 1.19 0.50 5.55 -0.14 0.21 -5.00 119.74 118.62 1qjo s LYS 3 Ca 0.00 -0.86 -0.14 0.00 -1.36 0.00 0.00 55.97 53.61 1qjo s LYS 3 Cb 0.00 -1.26 -0.07 0.00 -1.68 0.00 0.00 37.83 34.82 1qjo s LYS 3 CO 0.00 0.32 0.93 -1.21 -0.76 0.00 0.00 175.35 174.63 1qjo s GLU 4 N -1.16 3.84 -0.48 1.68 2.02 -1.26 0.33 118.70 123.67 1qjo s GLU 4 Ca 0.05 0.78 0.03 0.00 0.02 0.00 0.00 54.97 55.85 1qjo s GLU 4 Cb -0.08 -2.20 0.13 0.00 0.10 0.00 0.00 34.13 32.08 1qjo s GLU 4 CO 0.02 -0.26 0.23 0.08 0.02 0.00 0.00 175.26 175.35 1qjo s VAL 5 N -2.65 2.22 0.06 2.63 1.01 0.42 -4.65 120.40 119.44 1qjo s VAL 5 Ca 0.56 -2.99 -0.06 0.00 0.00 0.00 0.00 61.98 59.49 1qjo s VAL 5 Cb -0.10 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1qjo s VAL 5 CO 0.35 -0.80 0.33 0.54 0.00 0.00 0.00 175.10 175.52 1qjo s ASN 6 N 0.03 6.52 0.25 3.32 2.20 -1.26 -0.73 114.94 125.27 1qjo s ASN 6 Ca 0.16 0.61 -0.30 0.00 -0.94 0.00 0.00 52.86 52.39 1qjo s ASN 6 Cb -0.25 -2.10 -0.09 0.00 -2.00 0.00 0.00 41.25 36.81 1qjo s ASN 6 CO -0.01 0.17 1.18 -0.69 -2.94 0.00 0.00 177.10 174.81 1qjo s VAL 7 N -1.43 3.37 0.58 3.54 1.01 -0.79 -4.65 120.40 122.02 1qjo s VAL 7 Ca 0.33 1.27 -0.10 0.00 0.00 0.00 0.00 61.98 63.48 1qjo s VAL 7 Cb -0.13 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.58 1qjo s VAL 7 CO 0.20 0.26 0.68 -0.81 0.00 0.00 0.00 175.10 175.43 1qjo n PRO 8 N 1.70 -1.22 -0.44 2.72 -0.04 -1.26 -0.59 135.00 135.86 1qjo n PRO 8 Ca 0.01 -1.06 -0.12 0.00 -0.04 0.00 0.00 63.50 62.30 1qjo n PRO 8 Cb 0.44 -0.80 -0.02 0.00 -0.04 0.00 0.00 33.50 33.08 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 -3.66 2.86 -2.23 3.54 5.75 -1.26 -3.72 116.55 117.83 1qjo n ASP 9 Ca 0.09 -2.13 -0.17 0.00 -0.01 0.00 0.00 54.79 52.57 1qjo n ASP 9 Cb 0.32 -0.80 -0.14 0.00 -1.03 0.00 0.00 41.12 39.47 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 4.13 3.23 0.00 2.12 -0.00 -1.26 -4.65 119.36 122.93 1qjo n ILE 10 Ca 0.25 -1.73 0.00 0.00 -0.00 0.00 0.00 62.75 61.27 1qjo n ILE 10 Cb 0.14 -2.08 0.00 0.00 -0.00 0.00 0.00 39.64 37.69 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 2.61 2.65 0.00 3.28 0.00 -1.26 -4.63 105.19 107.84 1qjo n GLY 11 Ca 0.49 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 2.70 0.41 -0.02 0.00 -1.26 -5.05 105.19 101.97 1qjo n GLY 12 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.34 -4.34 1.61 9.92 -1.26 -3.82 116.55 118.31 1qjo n ASP 13 Ca 0.00 0.00 -0.46 0.00 -0.53 0.00 0.00 54.79 53.80 1qjo n ASP 13 Cb 0.00 -0.07 -0.02 0.00 -0.64 0.00 0.00 41.12 40.39 1qjo n ASP 13 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1qjo s GLU 14 N -0.29 3.73 0.30 -1.24 2.02 -1.26 -4.48 118.70 117.48 1qjo s GLU 14 Ca 0.02 -2.58 0.11 0.00 0.02 0.00 0.00 54.97 52.53 1qjo s GLU 14 Cb 0.01 -4.48 -0.05 0.00 0.10 0.00 0.00 34.13 29.70 1qjo s GLU 14 CO 0.04 -1.31 -0.12 0.14 0.02 0.00 0.00 175.26 174.03 1qjo s VAL 15 N 0.02 2.55 0.52 2.63 -7.23 -1.15 -4.86 120.40 112.88 1qjo s VAL 15 Ca 0.21 -2.24 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1qjo s VAL 15 Cb -0.10 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 1qjo s VAL 15 CO -0.09 -0.32 0.06 -1.83 -0.31 0.00 0.00 175.10 172.61 1qjo s GLU 16 N -3.58 2.22 -0.34 4.82 1.03 -0.01 -0.06 118.70 122.78 1qjo s GLU 16 Ca 0.31 -2.37 -0.17 0.00 0.03 0.00 0.00 54.97 52.77 1qjo s GLU 16 Cb -0.03 -1.60 -0.01 0.00 -0.80 0.00 0.00 34.13 31.70 1qjo s GLU 16 CO 0.17 -0.42 0.48 0.08 -1.33 0.00 0.00 175.26 174.24 1qjo s VAL 17 N -2.88 5.06 -0.08 1.83 1.01 0.63 -0.72 120.40 125.25 1qjo s VAL 17 Ca 0.07 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.43 1qjo s VAL 17 Cb 0.01 -3.91 -0.25 0.00 0.00 0.00 0.00 36.38 32.23 1qjo s VAL 17 CO 0.04 -0.15 0.50 0.41 0.00 0.00 0.00 175.10 175.90 1qjo n THR 18 N 5.36 1.69 -3.78 3.92 -1.04 0.12 0.45 114.28 121.00 1qjo n THR 18 Ca -0.06 -0.73 -0.13 0.00 -2.04 0.00 0.00 64.05 61.10 1qjo n THR 18 Cb 0.49 -1.38 -0.14 0.00 -1.82 0.00 0.00 70.33 67.49 1qjo n THR 18 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1qjo s GLU 19 N -2.58 0.12 -0.87 -2.82 -6.30 -0.33 -4.90 118.70 101.03 1qjo s GLU 19 Ca -0.14 0.28 0.01 0.00 -2.50 0.00 0.00 54.97 52.63 1qjo s GLU 19 Cb 0.07 -0.06 0.31 0.00 0.00 0.00 0.00 34.13 34.45 1qjo s GLU 19 CO 0.80 -0.10 1.35 1.55 0.02 0.00 0.00 175.26 178.88 1qjo n VAL 20 N 3.64 4.57 -0.09 3.70 3.14 -1.26 0.07 118.33 132.10 1qjo n VAL 20 Ca -0.20 -5.75 0.02 0.00 -2.96 0.00 0.00 64.34 55.45 1qjo n VAL 20 Cb 0.55 -1.74 0.05 0.00 -1.06 0.00 0.00 33.84 31.64 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 0.39 -0.02 -3.61 1.45 2.81 -1.23 -4.63 117.12 112.29 1qjo n MET 21 Ca 0.35 0.40 -0.20 0.00 -1.81 0.00 0.00 57.70 56.44 1qjo n MET 21 Cb 0.33 -0.61 -0.01 0.00 -0.71 0.00 0.00 33.22 32.22 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 -5.21 4.02 0.21 2.03 -7.23 -1.14 -5.05 120.40 108.03 1qjo s VAL 22 Ca -0.04 -1.11 0.02 0.00 -1.81 0.00 0.00 61.98 59.05 1qjo s VAL 22 Cb 0.07 -3.38 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 1qjo s VAL 22 CO 0.20 -0.18 0.07 0.29 -0.31 0.00 0.00 175.10 175.18 1qjo n LYS 23 N -1.54 0.76 -2.09 4.82 4.76 -1.26 -5.07 118.16 118.54 1qjo n LYS 23 Ca -0.01 -1.76 -0.42 0.00 -2.87 0.00 0.00 58.31 53.25 1qjo n LYS 23 Cb 0.58 0.95 -0.03 0.00 -1.84 0.00 0.00 35.03 34.70 1qjo n LYS 23 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1qjo s VAL 24 N -2.32 3.54 0.00 -0.18 1.01 -1.26 -2.59 120.40 118.60 1qjo s VAL 24 Ca 0.10 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1qjo s VAL 24 Cb 0.01 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1qjo s VAL 24 CO 0.07 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.16 1qjo n GLY 25 N 5.41 1.69 3.69 4.51 0.00 0.79 -5.00 105.19 116.27 1qjo n GLY 25 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1qjo n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjo n ASP 26 N 0.00 0.89 -4.70 1.61 8.00 -1.07 -4.43 116.55 116.85 1qjo n ASP 26 Ca 0.00 0.56 -0.40 0.00 0.71 0.00 0.00 54.79 55.66 1qjo n ASP 26 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 41.12 39.55 1qjo n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qjo s LYS 27 N -4.19 4.38 -0.41 -1.24 1.02 -1.26 -1.14 119.74 116.88 1qjo s LYS 27 Ca 0.72 0.87 0.02 0.00 0.02 0.00 0.00 55.97 57.60 1qjo s LYS 27 Cb -0.28 -3.49 0.12 0.00 -0.52 0.00 0.00 37.83 33.66 1qjo s LYS 27 CO 0.52 -0.05 0.19 0.08 -0.92 0.00 0.00 175.35 175.17 1qjo s VAL 28 N 1.22 1.59 0.22 3.17 1.01 0.23 -4.97 120.40 122.87 1qjo s VAL 28 Ca 0.36 -2.42 0.04 0.00 0.00 0.00 0.00 61.98 59.96 1qjo s VAL 28 Cb -0.17 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1qjo s VAL 28 CO 0.16 -0.80 0.35 0.00 0.00 0.00 0.00 175.10 174.81 1qjo s ALA 29 N 0.57 3.93 1.02 5.51 0.00 -1.26 -0.17 121.76 131.36 1qjo s ALA 29 Ca 0.15 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1qjo s ALA 29 Cb -0.23 -1.76 0.10 0.00 0.00 0.00 0.00 23.12 21.23 1qjo s ALA 29 CO -0.06 0.31 0.45 0.00 0.00 0.00 0.00 175.76 176.46 1qjo n ALA 30 N -1.20 -2.85 0.00 0.00 0.00 -1.14 -2.19 120.51 113.13 1qjo n ALA 30 Ca -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1qjo n ALA 30 Cb 0.56 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.48 0.00 -2.07 0.00 2.13 -1.25 -4.81 120.64 112.17 1qjo n GLU 31 Ca 0.05 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.45 1qjo n GLU 31 Cb 0.56 -0.26 -0.03 0.00 0.27 0.00 0.00 31.44 31.98 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 4.25 -0.61 5.31 0.74 -0.93 -4.62 119.66 123.81 1qjo s GLN 32 Ca 0.00 2.18 -0.26 0.00 0.05 0.00 0.00 55.36 57.33 1qjo s GLN 32 Cb 0.00 -3.42 -0.10 0.00 1.10 0.00 0.00 33.01 30.58 1qjo s GLN 32 CO 0.00 -0.59 2.44 -1.13 -0.55 0.00 0.00 175.29 175.45 1qjo n SER 33 N 4.83 1.95 0.34 6.67 3.41 -1.26 -0.17 113.62 129.39 1qjo n SER 33 Ca 0.14 -0.66 -0.13 0.00 -0.26 0.00 0.00 58.87 57.95 1qjo n SER 33 Cb 0.41 -1.52 -0.06 0.00 -0.26 0.00 0.00 64.21 62.78 1qjo n SER 33 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1qjo h LEU 34 N 19.43 -0.73 -7.85 1.04 3.38 0.23 -3.42 115.31 127.39 1qjo h LEU 34 Ca -0.17 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 1qjo h LEU 34 Cb 1.21 0.19 -0.21 0.00 0.09 0.00 0.00 40.66 41.95 1qjo h LEU 34 CO 1.16 -0.51 -0.57 0.27 0.09 0.00 0.00 178.44 178.88 1qjo s ILE 35 N -4.80 0.10 -0.35 1.22 -4.36 -1.10 -2.86 121.20 109.06 1qjo s ILE 35 Ca -0.13 -0.80 -0.15 0.00 -0.26 0.00 0.00 60.65 59.32 1qjo s ILE 35 Cb 0.01 -0.38 -0.01 0.00 1.25 0.00 0.00 42.46 43.33 1qjo s ILE 35 CO 0.38 -0.44 0.34 -0.89 0.24 0.00 0.00 174.94 174.57 1qjo s THR 36 N -1.46 5.19 0.08 8.37 2.01 0.11 -0.60 115.64 129.34 1qjo s THR 36 Ca -0.15 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 61.87 1qjo s THR 36 Cb -0.08 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1qjo s THR 36 CO 0.00 -0.10 -0.08 0.68 -0.69 0.00 0.00 174.62 174.44 1qjo s VAL 37 N 1.96 3.54 0.42 3.82 -7.23 0.21 0.14 120.40 123.26 1qjo s VAL 37 Ca 0.10 -1.10 0.04 0.00 -1.81 0.00 0.00 61.98 59.21 1qjo s VAL 37 Cb -0.17 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 1qjo s VAL 37 CO 0.11 0.18 0.12 -0.70 -0.31 0.00 0.00 175.10 174.51 1qjo s GLU 38 N -2.04 1.95 0.00 4.82 2.12 0.10 0.00 118.70 125.66 1qjo s GLU 38 Ca 0.21 -2.20 0.00 0.00 0.36 0.00 0.00 54.97 53.35 1qjo s GLU 38 Cb -0.11 -0.67 0.00 0.00 0.26 0.00 0.00 34.13 33.60 1qjo s GLU 38 CO 0.13 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 1qjo n GLY 39 N -0.94 -0.71 0.49 -1.50 0.00 -1.19 -0.83 105.19 100.51 1qjo n GLY 39 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1qjo n GLY 39 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qjo n ASP 40 N -2.20 0.00 0.00 1.61 5.75 -1.26 -4.96 116.55 115.49 1qjo n ASP 40 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1qjo n ASP 40 Cb 0.00 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1qjo n ASP 40 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1qjo n LYS 41 N -2.06 3.57 -4.50 0.11 4.76 -1.26 -5.06 118.16 113.72 1qjo n LYS 41 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1qjo n LYS 41 Cb 0.00 -0.57 -0.12 0.00 -1.84 0.00 0.00 35.03 32.50 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qjo s ALA 42 N -1.02 2.96 -0.05 7.82 0.00 -1.26 -5.11 121.76 125.10 1qjo s ALA 42 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1qjo s ALA 42 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1qjo s ALA 42 CO 0.00 0.32 0.11 0.45 0.00 0.00 0.00 175.76 176.64 1qjo s SER 43 N 0.02 5.96 0.30 0.00 0.15 -1.26 -3.18 113.70 115.69 1qjo s SER 43 Ca -0.00 0.28 -0.06 0.00 0.70 0.00 0.00 55.95 56.86 1qjo s SER 43 Cb -0.13 -1.81 -0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1qjo s SER 43 CO 0.03 0.33 0.45 0.00 1.20 0.00 0.00 173.24 175.25 1qjo s MET 44 N -1.45 1.72 0.22 5.44 0.23 0.10 -4.99 119.30 120.57 1qjo s MET 44 Ca 0.20 -1.55 0.10 0.00 -1.03 0.00 0.00 55.69 53.41 1qjo s MET 44 Cb -0.12 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 33.58 1qjo s MET 44 CO 0.10 -0.71 -0.19 -1.21 -2.03 0.00 0.00 175.02 170.99 1qjo s GLU 45 N -3.48 1.47 -0.12 3.16 2.02 -1.26 0.66 118.70 121.14 1qjo s GLU 45 Ca 0.28 -1.60 0.03 0.00 0.02 0.00 0.00 54.97 53.70 1qjo s GLU 45 Cb 0.00 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 32.73 1qjo s GLU 45 CO 0.15 0.29 -0.20 0.08 0.02 0.00 0.00 175.26 175.60 1qjo s VAL 46 N -2.39 1.90 0.67 2.63 1.01 0.23 -4.86 120.40 119.59 1qjo s VAL 46 Ca 0.23 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1qjo s VAL 46 Cb -0.05 -1.68 0.07 0.00 0.00 0.00 0.00 36.38 34.73 1qjo s VAL 46 CO 0.10 0.52 0.95 -2.16 0.00 0.00 0.00 175.10 174.51 1qjo s PRO 47 N 0.76 2.13 -0.11 2.72 0.04 -1.26 0.85 135.00 140.13 1qjo s PRO 47 Ca -0.09 -0.60 -0.29 0.00 0.04 0.00 0.00 61.00 60.05 1qjo s PRO 47 Cb -0.16 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1qjo s PRO 47 CO 0.00 -1.17 1.47 0.00 0.04 0.00 0.00 177.00 177.35 1qjo s ALA 48 N -3.10 3.63 0.55 8.56 0.00 0.77 -4.49 121.76 127.67 1qjo s ALA 48 Ca 0.61 0.70 0.33 0.00 0.00 0.00 0.00 51.96 53.60 1qjo s ALA 48 Cb -0.09 -3.69 1.49 0.00 0.00 0.00 0.00 23.12 20.82 1qjo s ALA 48 CO 0.43 -1.31 1.85 -1.00 0.00 0.00 0.00 175.76 175.73 1qjo h PRO 49 N 8.96 0.00 0.00 0.00 0.13 -1.91 -3.33 132.00 135.85 1qjo h PRO 49 Ca -0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1qjo h PRO 49 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1qjo h PRO 49 CO 0.96 0.00 0.14 1.97 -0.23 0.00 0.00 178.00 180.84 1qjo n PHE 50 N -4.13 -1.70 -3.91 1.56 -1.74 -1.26 -4.94 117.46 101.34 1qjo n PHE 50 Ca 0.19 -0.98 -0.21 0.00 -0.56 0.00 0.00 57.45 55.89 1qjo n PHE 50 Cb 1.02 0.48 -0.03 0.00 1.52 0.00 0.00 39.48 42.47 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 -1.58 3.87 0.00 1.98 0.00 -1.26 -2.90 121.76 121.87 1qjo s ALA 51 Ca 0.08 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1qjo s ALA 51 Cb -0.03 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1qjo s ALA 51 CO 0.06 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1qjo n GLY 52 N -1.38 0.81 3.82 0.00 0.00 0.76 -4.51 105.19 104.70 1qjo n GLY 52 Ca -0.06 -2.01 -0.22 0.00 0.00 0.00 0.00 46.02 43.73 1qjo n GLY 52 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qjo s VAL 53 N -1.63 3.40 -0.25 1.61 -7.23 0.71 0.77 120.40 117.77 1qjo s VAL 53 Ca 0.00 -1.46 -0.20 0.00 -1.81 0.00 0.00 61.98 58.51 1qjo s VAL 53 Cb 0.00 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 1qjo s VAL 53 CO 0.00 -0.18 0.62 -0.69 -0.31 0.00 0.00 175.10 174.54 1qjo s VAL 54 N -2.34 4.99 -0.09 1.32 1.01 -0.30 -1.43 120.40 123.57 1qjo s VAL 54 Ca 0.40 1.11 -0.11 0.00 0.00 0.00 0.00 61.98 63.39 1qjo s VAL 54 Cb -0.05 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1qjo s VAL 54 CO 0.25 0.03 -0.21 1.17 0.00 0.00 0.00 175.10 176.35 1qjo n LYS 55 N 5.68 0.31 -4.52 2.72 4.81 -0.68 -0.15 118.16 126.33 1qjo n LYS 55 Ca -0.01 0.12 -0.21 0.00 -0.87 0.00 0.00 58.31 57.34 1qjo n LYS 55 Cb 0.49 -1.03 -0.15 0.00 0.02 0.00 0.00 35.03 34.36 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 -2.28 1.11 -0.20 1.64 2.56 -1.06 -4.76 118.70 115.71 1qjo s GLU 56 Ca -0.17 -0.40 -0.04 0.00 0.00 0.00 0.00 54.97 54.35 1qjo s GLU 56 Cb 0.02 -1.03 0.10 0.00 2.00 0.00 0.00 34.13 35.23 1qjo s GLU 56 CO 0.26 0.19 0.34 -0.48 -0.56 0.00 0.00 175.26 175.00 1qjo s LEU 57 N 0.00 -0.49 -0.66 2.70 2.34 -1.26 -0.34 118.68 120.97 1qjo s LEU 57 Ca -0.00 0.44 -0.03 0.00 0.06 0.00 0.00 54.13 54.59 1qjo s LEU 57 Cb -0.08 0.98 0.18 0.00 -0.56 0.00 0.00 46.19 46.72 1qjo s LEU 57 CO 0.00 -0.27 2.45 0.29 -1.06 0.00 0.00 176.35 177.76 1qjo n LYS 58 N 5.36 2.72 -4.45 1.48 5.02 -1.24 -4.90 118.16 122.16 1qjo n LYS 58 Ca -0.06 -2.91 -0.21 0.00 -2.02 0.00 0.00 58.31 53.12 1qjo n LYS 58 Cb 0.50 -2.22 -0.14 0.00 -0.02 0.00 0.00 35.03 33.15 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 -3.34 1.07 0.11 -0.18 0.11 -1.26 -5.04 120.40 111.87 1qjo s VAL 59 Ca 0.56 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1qjo s VAL 59 Cb 0.39 -0.94 -0.00 0.00 -1.53 0.00 0.00 36.38 34.30 1qjo s VAL 59 CO -0.29 0.12 0.04 0.59 -3.33 0.00 0.00 175.10 172.23 1qjo n ASN 60 N 2.26 0.97 -4.50 3.54 3.02 -1.26 -5.07 115.26 114.22 1qjo n ASN 60 Ca -0.16 -1.58 -0.43 0.00 -0.03 0.00 0.00 54.58 52.37 1qjo n ASN 60 Cb 0.55 0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.94 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 -1.96 4.77 0.00 2.41 1.01 -1.26 -3.09 120.40 122.27 1qjo s VAL 61 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1qjo s VAL 61 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1qjo s VAL 61 CO 0.04 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.02 1qjo n GLY 62 N 5.08 1.16 3.77 4.51 0.00 0.17 -4.95 105.19 114.94 1qjo n GLY 62 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.66 4.93 -0.02 1.61 1.01 -1.18 -4.49 116.67 117.87 1qjo s ASP 63 Ca 0.00 1.91 -0.17 0.00 0.71 0.00 0.00 52.55 54.99 1qjo s ASP 63 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1qjo s ASP 63 CO 0.00 -1.75 0.48 -0.54 0.21 0.00 0.00 175.17 173.58 1qjo s LYS 64 N -4.44 4.14 0.12 8.23 -0.14 -1.26 -0.27 119.74 126.12 1qjo s LYS 64 Ca 0.64 0.53 0.07 0.00 -1.36 0.00 0.00 55.97 55.85 1qjo s LYS 64 Cb -0.19 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 32.63 1qjo s LYS 64 CO 0.47 0.50 -0.18 0.14 -0.76 0.00 0.00 175.35 175.53 1qjo s VAL 65 N -0.52 1.55 -0.12 3.17 -7.23 0.91 -4.96 120.40 113.20 1qjo s VAL 65 Ca 0.26 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 1qjo s VAL 65 Cb -0.17 -1.54 0.09 0.00 0.56 0.00 0.00 36.38 35.32 1qjo s VAL 65 CO 0.14 -0.23 0.80 -1.59 -0.31 0.00 0.00 175.10 173.91 1qjo s LYS 66 N -2.26 0.87 -0.07 4.82 -2.85 -1.26 -2.95 119.74 116.03 1qjo s LYS 66 Ca 0.08 0.33 -0.34 0.00 -1.00 0.00 0.00 55.97 55.04 1qjo s LYS 66 Cb -0.08 0.41 -0.12 0.00 -2.06 0.00 0.00 37.83 35.99 1qjo s LYS 66 CO 0.04 -0.25 1.87 -2.37 0.10 0.00 0.00 175.35 174.75 1qjo n THR 67 N 1.13 0.56 0.00 3.79 5.66 -1.24 -2.11 114.28 122.07 1qjo n THR 67 Ca -0.16 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 1qjo n THR 67 Cb 0.57 -1.88 0.00 0.00 -1.55 0.00 0.00 70.33 67.47 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 4.37 0.95 3.53 1.09 0.00 0.24 -4.96 105.19 110.41 1qjo n GLY 68 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.08 6.29 -0.10 1.61 0.15 -0.90 -4.80 113.70 113.86 1qjo s SER 69 Ca 0.00 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.40 1qjo s SER 69 Cb 0.00 -2.27 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1qjo s SER 69 CO 0.00 -0.58 1.06 0.18 1.20 0.00 0.00 173.24 175.10 1qjo n LEU 70 N 5.85 0.73 -0.31 3.45 4.32 -1.26 -1.89 117.00 127.90 1qjo n LEU 70 Ca -0.04 -1.13 0.01 0.00 -0.02 0.00 0.00 56.01 54.82 1qjo n LEU 70 Cb 0.48 -0.44 0.08 0.00 -1.62 0.00 0.00 43.42 41.92 1qjo n LEU 70 CO 0.47 -0.71 0.66 0.40 -1.22 0.00 0.00 177.39 176.99 1qjo h ILE 71 N 3.56 0.11 -2.94 -0.08 1.08 -1.28 -3.45 117.51 114.52 1qjo h ILE 71 Ca 0.06 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.41 1qjo h ILE 71 Cb 0.07 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 33.90 1qjo h ILE 71 CO 0.87 0.00 -0.03 1.15 -0.69 0.00 0.00 178.15 179.45 1qjo n MET 72 N -5.52 0.42 -4.12 2.37 0.00 -1.02 -3.68 117.12 105.57 1qjo n MET 72 Ca 0.11 -1.40 -0.31 0.00 0.00 0.00 0.00 57.70 56.10 1qjo n MET 72 Cb 0.42 1.42 -0.16 0.00 0.00 0.00 0.00 33.22 34.89 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 -2.61 1.71 0.33 3.17 -4.36 0.54 0.16 121.20 120.13 1qjo s ILE 73 Ca 0.14 -0.73 0.08 0.00 -0.26 0.00 0.00 60.65 59.88 1qjo s ILE 73 Cb -0.01 -1.58 -0.03 0.00 1.25 0.00 0.00 42.46 42.09 1qjo s ILE 73 CO 0.10 0.48 0.21 -0.36 0.24 0.00 0.00 174.94 175.61 1qjo s PHE 74 N 1.36 2.82 -0.02 1.37 0.08 0.15 -1.69 117.98 122.05 1qjo s PHE 74 Ca 0.03 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.76 1qjo s PHE 74 Cb -0.13 -1.68 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 1qjo s PHE 74 CO -0.10 0.29 0.00 -2.00 -0.10 0.00 0.00 175.22 173.31 1qjo s GLU 75 N -3.91 0.24 -0.85 0.44 2.56 -0.51 0.65 118.70 117.33 1qjo s GLU 75 Ca 0.39 0.07 -0.05 0.00 0.00 0.00 0.00 54.97 55.37 1qjo s GLU 75 Cb -0.04 -0.42 -0.05 0.00 2.00 0.00 0.00 34.13 35.62 1qjo s GLU 75 CO 0.24 -0.12 2.08 1.33 -0.56 0.00 0.00 175.26 178.24 1qjo n VAL 76 N 4.01 2.33 -2.07 3.70 0.24 -1.26 -0.21 118.33 125.07 1qjo n VAL 76 Ca -0.26 -1.38 -0.03 0.00 -2.04 0.00 0.00 64.34 60.63 1qjo n VAL 76 Cb 0.51 -2.10 -0.02 0.00 -1.47 0.00 0.00 33.84 30.76 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 4.15 -2.75 -2.72 7.34 4.07 -1.26 -4.92 120.64 124.55 1qjo n GLU 77 Ca 0.42 2.27 -0.05 0.00 -0.06 0.00 0.00 57.16 59.74 1qjo n GLU 77 Cb 0.14 -3.30 0.07 0.00 -0.06 0.00 0.00 31.44 28.29 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 1.01 1.64 4.05 8.31 0.00 -1.26 -4.98 105.19 113.95 1qjo n GLY 78 Ca -0.21 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.53 -1.87 0.00 4.61 0.00 -1.26 -5.21 120.51 116.25 1qjo n ALA 79 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1qjo n ALA 79 Cb 0.83 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50