#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 -4.31 2.03 0.31 -1.26 -4.55 118.33 110.54 1qjo n VAL 2 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 1qjo n VAL 2 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1qjo n VAL 2 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1qjo s LYS 3 N 0.00 1.24 0.14 5.55 2.47 0.46 -4.97 119.74 124.62 1qjo s LYS 3 Ca 0.00 -1.58 0.04 0.00 -1.56 0.00 0.00 55.97 52.87 1qjo s LYS 3 Cb 0.00 -0.77 -0.04 0.00 -1.46 0.00 0.00 37.83 35.56 1qjo s LYS 3 CO 0.00 0.04 0.13 -1.83 0.16 0.00 0.00 175.35 173.85 1qjo s GLU 4 N -3.76 2.94 -0.33 4.03 1.03 -1.26 0.72 118.70 122.07 1qjo s GLU 4 Ca 0.23 -0.79 -0.01 0.00 0.03 0.00 0.00 54.97 54.43 1qjo s GLU 4 Cb 0.03 -2.70 0.11 0.00 -0.80 0.00 0.00 34.13 30.77 1qjo s GLU 4 CO 0.05 0.51 0.14 0.08 -1.33 0.00 0.00 175.26 174.71 1qjo s VAL 5 N -1.64 0.79 0.54 1.83 1.01 0.31 -4.64 120.40 118.61 1qjo s VAL 5 Ca 0.31 -1.55 0.08 0.00 0.00 0.00 0.00 61.98 60.82 1qjo s VAL 5 Cb -0.11 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.74 1qjo s VAL 5 CO 0.23 -0.75 0.63 0.54 0.00 0.00 0.00 175.10 175.76 1qjo s ASN 6 N 1.41 4.99 -0.06 3.32 4.22 -1.26 -0.29 114.94 127.27 1qjo s ASN 6 Ca 0.12 -0.94 -0.03 0.00 -2.14 0.00 0.00 52.86 49.87 1qjo s ASN 6 Cb -0.19 0.22 -0.04 0.00 1.28 0.00 0.00 41.25 42.52 1qjo s ASN 6 CO -0.20 -1.19 0.06 -0.69 -2.04 0.00 0.00 177.10 173.05 1qjo s VAL 7 N -2.67 4.76 0.45 3.54 1.01 -0.97 -4.85 120.40 121.66 1qjo s VAL 7 Ca 0.52 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 1qjo s VAL 7 Cb -0.05 -3.08 0.10 0.00 0.00 0.00 0.00 36.38 33.35 1qjo s VAL 7 CO 0.32 0.51 0.58 -0.81 0.00 0.00 0.00 175.10 175.71 1qjo n PRO 8 N 1.75 -0.71 -0.51 2.72 -0.04 -1.26 0.08 135.00 137.02 1qjo n PRO 8 Ca -0.17 -0.90 -0.10 0.00 -0.04 0.00 0.00 63.50 62.29 1qjo n PRO 8 Cb 0.54 -0.62 -0.05 0.00 -0.04 0.00 0.00 33.50 33.32 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 -3.43 3.03 -0.56 3.54 5.68 -1.26 -3.61 116.55 119.94 1qjo n ASP 9 Ca 0.07 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1qjo n ASP 9 Cb 0.26 -0.78 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 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 3.36 0.06 0.00 2.12 -0.00 -1.26 -4.90 119.36 118.74 1qjo n ILE 10 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.01 1qjo n ILE 10 Cb 0.30 -0.33 0.00 0.00 -0.00 0.00 0.00 39.64 39.61 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 0.29 -0.87 6.40 3.28 0.00 -1.26 -4.97 105.19 108.06 1qjo n GLY 11 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.00 0.28 0.00 -0.02 0.00 -1.26 -4.75 105.19 98.44 1qjo n GLY 12 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.66 0.00 -4.24 1.61 8.00 -1.26 -4.80 116.55 112.20 1qjo n ASP 13 Ca 0.00 0.35 -0.13 0.00 0.71 0.00 0.00 54.79 55.72 1qjo n ASP 13 Cb 0.00 -0.30 -0.10 0.00 -0.02 0.00 0.00 41.12 40.70 1qjo n ASP 13 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1qjo s GLU 14 N -0.77 1.09 0.04 -1.24 4.04 -1.26 -4.48 118.70 116.12 1qjo s GLU 14 Ca 0.00 -1.52 -0.17 0.00 0.04 0.00 0.00 54.97 53.33 1qjo s GLU 14 Cb 0.00 -0.29 0.03 0.00 0.02 0.00 0.00 34.13 33.89 1qjo s GLU 14 CO 0.00 -0.11 0.38 0.14 -1.84 0.00 0.00 175.26 173.83 1qjo s VAL 15 N -3.63 0.06 0.81 1.83 -7.23 -0.17 -4.94 120.40 107.13 1qjo s VAL 15 Ca 0.23 -0.51 -0.07 0.00 -1.81 0.00 0.00 61.98 59.81 1qjo s VAL 15 Cb 0.06 -0.94 0.17 0.00 0.56 0.00 0.00 36.38 36.23 1qjo s VAL 15 CO 0.03 -0.28 1.10 -0.62 -0.31 0.00 0.00 175.10 175.02 1qjo n GLU 16 N 0.55 -0.58 -3.81 4.82 1.02 0.55 -0.10 120.64 123.10 1qjo n GLU 16 Ca -0.19 -2.36 -0.36 0.00 -0.02 0.00 0.00 57.16 54.23 1qjo n GLU 16 Cb 0.60 -0.93 -0.13 0.00 -0.02 0.00 0.00 31.44 30.96 1qjo n GLU 16 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1qjo s VAL 17 N -3.33 3.75 -0.15 2.62 1.01 0.14 -0.24 120.40 124.18 1qjo s VAL 17 Ca 0.68 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 1qjo s VAL 17 Cb -0.03 -2.90 -0.23 0.00 0.00 0.00 0.00 36.38 33.22 1qjo s VAL 17 CO 0.46 0.15 0.38 0.74 0.00 0.00 0.00 175.10 176.83 1qjo h THR 18 N 5.87 0.95 -3.05 3.92 2.02 -0.26 -2.79 112.91 119.58 1qjo h THR 18 Ca -0.33 -2.29 -0.56 0.00 0.77 0.00 0.00 66.41 64.00 1qjo h THR 18 Cb 1.13 2.50 -0.40 0.00 -1.74 0.00 0.00 68.15 69.64 1qjo h THR 18 CO 0.60 0.56 -0.76 -1.61 0.37 0.00 0.00 175.52 174.68 1qjo s GLU 19 N -2.43 0.54 -1.40 6.66 2.02 -1.02 -4.90 118.70 118.18 1qjo s GLU 19 Ca -0.24 -0.86 -0.09 0.00 0.02 0.00 0.00 54.97 53.81 1qjo s GLU 19 Cb 0.05 -1.73 -0.06 0.00 0.10 0.00 0.00 34.13 32.48 1qjo s GLU 19 CO 0.69 -0.97 2.92 1.55 0.02 0.00 0.00 175.26 179.46 1qjo n VAL 20 N 4.99 4.36 -0.04 2.63 3.14 -1.26 -0.50 118.33 131.64 1qjo n VAL 20 Ca -0.04 -2.81 0.00 0.00 -2.96 0.00 0.00 64.34 58.53 1qjo n VAL 20 Cb 0.42 -2.44 0.01 0.00 -1.06 0.00 0.00 33.84 30.77 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 3.07 -0.02 -3.02 1.45 0.00 -1.19 -4.67 117.12 112.74 1qjo n MET 21 Ca 0.72 0.16 -0.17 0.00 0.00 0.00 0.00 57.70 58.41 1qjo n MET 21 Cb 0.30 -0.24 0.02 0.00 0.00 0.00 0.00 33.22 33.30 1qjo n MET 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1qjo s VAL 22 N -5.11 2.87 0.00 2.03 -7.23 -1.21 -5.08 120.40 106.67 1qjo s VAL 22 Ca -0.01 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1qjo s VAL 22 Cb 0.02 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1qjo s VAL 22 CO 0.08 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.16 1qjo n LYS 23 N -1.90 1.02 -2.56 4.82 4.76 -1.26 -5.06 118.16 117.97 1qjo n LYS 23 Ca 0.09 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.12 1qjo n LYS 23 Cb 0.59 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.75 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 -0.71 3.87 0.00 -0.18 1.01 -1.26 -2.91 120.40 120.22 1qjo s VAL 24 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1qjo s VAL 24 Cb 0.00 -5.02 0.00 0.00 0.00 0.00 0.00 36.38 31.36 1qjo s VAL 24 CO 0.00 -1.91 0.00 0.61 0.00 0.00 0.00 175.10 173.80 1qjo n GLY 25 N 6.43 1.38 3.86 4.51 0.00 -0.78 -4.99 105.19 115.61 1qjo n GLY 25 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1qjo n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qjo s ASP 26 N -2.00 2.65 0.01 1.61 -1.08 -1.15 -4.68 116.67 112.03 1qjo s ASP 26 Ca 0.00 0.33 -0.10 0.00 -0.52 0.00 0.00 52.55 52.26 1qjo s ASP 26 Cb 0.00 -0.41 -0.05 0.00 -1.46 0.00 0.00 42.92 41.00 1qjo s ASP 26 CO 0.00 -3.03 0.33 -0.54 0.52 0.00 0.00 175.17 172.45 1qjo s LYS 27 N -5.80 3.71 -0.18 4.34 1.02 -1.26 -0.76 119.74 120.81 1qjo s LYS 27 Ca 0.74 0.13 -0.04 0.00 0.02 0.00 0.00 55.97 56.81 1qjo s LYS 27 Cb -0.05 -3.11 0.09 0.00 -0.52 0.00 0.00 37.83 34.24 1qjo s LYS 27 CO 0.54 0.65 0.24 0.08 -0.92 0.00 0.00 175.35 175.94 1qjo s VAL 28 N -1.23 -0.36 0.08 3.17 1.01 0.33 -4.83 120.40 118.57 1qjo s VAL 28 Ca 0.26 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1qjo s VAL 28 Cb -0.14 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1qjo s VAL 28 CO 0.14 -0.10 -0.12 0.00 0.00 0.00 0.00 175.10 175.03 1qjo s ALA 29 N 2.36 1.07 -1.12 5.51 0.00 -1.26 0.13 121.76 128.45 1qjo s ALA 29 Ca 0.06 -1.03 -0.23 0.00 0.00 0.00 0.00 51.96 50.75 1qjo s ALA 29 Cb -0.15 -0.03 -0.12 0.00 0.00 0.00 0.00 23.12 22.82 1qjo s ALA 29 CO -0.11 0.07 1.96 0.00 0.00 0.00 0.00 175.76 177.67 1qjo n ALA 30 N 1.04 1.63 0.00 0.00 0.00 -1.25 0.45 120.51 122.38 1qjo n ALA 30 Ca -0.20 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.34 1qjo n ALA 30 Cb 0.55 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.53 1qjo n ALA 30 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1qjo n GLU 31 N 8.16 0.00 -1.55 0.00 -0.00 -1.26 -4.95 120.64 121.03 1qjo n GLU 31 Ca 0.45 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.47 1qjo n GLU 31 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.79 1qjo n GLU 31 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1qjo n GLN 32 N 0.00 0.12 -0.58 3.44 7.27 0.17 -4.62 117.38 123.18 1qjo n GLN 32 Ca 0.00 -1.55 0.00 0.00 0.07 0.00 0.00 57.00 55.52 1qjo n GLN 32 Cb 0.00 -3.79 0.00 0.00 2.41 0.00 0.00 30.24 28.86 1qjo n GLN 32 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1qjo n SER 33 N 19.25 -0.59 -0.02 1.69 2.88 -1.26 -2.30 113.62 133.27 1qjo n SER 33 Ca 0.40 -0.29 -0.01 0.00 -1.33 0.00 0.00 58.87 57.64 1qjo n SER 33 Cb 0.47 -0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.92 1qjo n SER 33 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qjo n LEU 34 N 2.04 -0.05 -3.73 2.46 7.99 0.18 -4.63 117.00 121.26 1qjo n LEU 34 Ca 0.00 0.25 -0.13 0.00 -0.01 0.00 0.00 56.01 56.12 1qjo n LEU 34 Cb 0.15 -0.09 -0.10 0.00 -0.11 0.00 0.00 43.42 43.27 1qjo n LEU 34 CO 0.15 -0.16 0.09 0.27 -1.51 0.00 0.00 177.39 176.23 1qjo s ILE 35 N -3.51 0.01 -0.10 -0.08 -4.36 -1.01 -3.15 121.20 109.00 1qjo s ILE 35 Ca -0.01 -0.07 -0.08 0.00 -0.26 0.00 0.00 60.65 60.23 1qjo s ILE 35 Cb 0.01 -0.60 -0.04 0.00 1.25 0.00 0.00 42.46 43.08 1qjo s ILE 35 CO 0.03 -0.04 0.18 -0.89 0.24 0.00 0.00 174.94 174.46 1qjo s THR 36 N -0.07 5.44 0.05 8.37 2.01 0.35 -1.92 115.64 129.88 1qjo s THR 36 Ca -0.02 0.30 0.07 0.00 0.31 0.00 0.00 61.69 62.34 1qjo s THR 36 Cb -0.03 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1qjo s THR 36 CO 0.01 0.61 -0.19 0.68 -0.69 0.00 0.00 174.62 175.04 1qjo s VAL 37 N -1.03 1.57 0.00 3.82 -7.23 0.85 0.48 120.40 118.86 1qjo s VAL 37 Ca 0.16 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1qjo s VAL 37 Cb -0.13 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.43 1qjo s VAL 37 CO 0.05 0.11 0.00 1.21 -0.31 0.00 0.00 175.10 176.16 1qjo n GLU 38 N 1.70 2.01 0.00 4.82 4.07 0.66 -0.49 120.64 133.42 1qjo n GLU 38 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 1qjo n GLU 38 Cb 0.54 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 1qjo n GLU 38 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1qjo n GLY 39 N 2.85 -0.77 1.16 8.31 0.00 -1.26 -0.33 105.19 115.14 1qjo n GLY 39 Ca 0.00 0.29 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 0.43 0.00 1.61 9.92 -1.26 -4.92 116.55 122.33 1qjo n ASP 40 Ca 0.00 -1.36 0.00 0.00 -0.53 0.00 0.00 54.79 52.90 1qjo n ASP 40 Cb 0.00 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 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 -1.53 0.00 -3.33 -1.24 5.02 -1.26 -4.39 118.16 111.43 1qjo n LYS 41 Ca 0.05 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.25 1qjo n LYS 41 Cb 0.18 -1.14 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qjo s ALA 42 N -0.55 -1.18 0.65 7.82 0.00 -1.26 -5.16 121.76 122.08 1qjo s ALA 42 Ca 0.00 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 1qjo s ALA 42 Cb 0.00 -1.81 -0.00 0.00 0.00 0.00 0.00 23.12 21.31 1qjo s ALA 42 CO 0.00 -1.40 1.18 -1.12 0.00 0.00 0.00 175.76 174.42 1qjo s SER 43 N 2.56 4.89 0.11 0.00 0.01 -1.26 -4.81 113.70 115.20 1qjo s SER 43 Ca 0.12 2.26 0.08 0.00 1.31 0.00 0.00 55.95 59.72 1qjo s SER 43 Cb -0.15 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1qjo s SER 43 CO -0.20 -1.79 -0.20 -0.04 0.41 0.00 0.00 173.24 171.42 1qjo s MET 44 N -3.70 1.10 0.13 12.44 -1.94 0.36 -5.00 119.30 122.68 1qjo s MET 44 Ca 0.73 -1.17 0.08 0.00 -1.71 0.00 0.00 55.69 53.63 1qjo s MET 44 Cb -0.27 -1.31 -0.04 0.00 2.01 0.00 0.00 34.83 35.22 1qjo s MET 44 CO 0.39 0.30 -0.20 -1.21 -0.01 0.00 0.00 175.02 174.29 1qjo s GLU 45 N -1.99 1.18 -0.06 2.03 2.02 -1.26 -0.10 118.70 120.51 1qjo s GLU 45 Ca 0.06 -1.26 -0.00 0.00 0.02 0.00 0.00 54.97 53.80 1qjo s GLU 45 Cb -0.09 -1.36 0.03 0.00 0.10 0.00 0.00 34.13 32.80 1qjo s GLU 45 CO 0.04 0.30 -0.02 0.08 0.02 0.00 0.00 175.26 175.68 1qjo s VAL 46 N -1.51 0.48 0.77 2.63 1.01 -0.81 -4.99 120.40 117.99 1qjo s VAL 46 Ca 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1qjo s VAL 46 Cb -0.08 -0.57 0.14 0.00 0.00 0.00 0.00 36.38 35.86 1qjo s VAL 46 CO 0.05 0.25 1.07 -2.16 0.00 0.00 0.00 175.10 174.31 1qjo s PRO 47 N 1.49 1.48 -0.19 2.72 0.04 -1.26 0.50 135.00 139.79 1qjo s PRO 47 Ca -0.02 -0.86 -0.35 0.00 0.04 0.00 0.00 61.00 59.81 1qjo s PRO 47 Cb -0.13 -2.20 -0.12 0.00 0.04 0.00 0.00 34.50 32.09 1qjo s PRO 47 CO -0.03 -1.65 1.94 0.00 0.04 0.00 0.00 177.00 177.30 1qjo n ALA 48 N -3.06 0.78 0.25 8.56 0.00 -0.97 -4.39 120.51 121.68 1qjo n ALA 48 Ca 0.14 0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.91 1qjo n ALA 48 Cb 0.60 -2.49 0.57 0.00 0.00 0.00 0.00 19.45 18.14 1qjo n ALA 48 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qjo h PRO 49 N 9.91 0.00 0.00 0.00 0.13 -1.93 -3.39 132.00 136.72 1qjo h PRO 49 Ca -0.43 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.78 1qjo h PRO 49 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1qjo h PRO 49 CO 0.97 0.00 0.28 1.97 -0.23 0.00 0.00 178.00 180.98 1qjo n PHE 50 N -2.96 -0.80 -3.68 1.56 1.16 -1.26 -5.00 117.46 106.47 1qjo n PHE 50 Ca 0.02 -0.51 -0.20 0.00 -1.87 0.00 0.00 57.45 54.90 1qjo n PHE 50 Cb 0.67 0.24 -0.02 0.00 -1.61 0.00 0.00 39.48 38.77 1qjo n PHE 50 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qjo s ALA 51 N -1.44 4.06 0.00 1.98 0.00 -1.26 -3.79 121.76 121.31 1qjo s ALA 51 Ca 0.10 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1qjo s ALA 51 Cb -0.01 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1qjo s ALA 51 CO 0.02 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1qjo n GLY 52 N -1.51 0.58 3.63 0.00 0.00 0.34 -4.55 105.19 103.67 1qjo n GLY 52 Ca -0.03 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.12 2.71 0.08 1.61 -7.23 -1.21 -0.51 120.40 113.73 1qjo s VAL 53 Ca 0.00 -1.98 -0.09 0.00 -1.81 0.00 0.00 61.98 58.10 1qjo s VAL 53 Cb 0.00 -2.78 -0.06 0.00 0.56 0.00 0.00 36.38 34.10 1qjo s VAL 53 CO 0.00 -0.23 0.39 -0.69 -0.31 0.00 0.00 175.10 174.26 1qjo s VAL 54 N -2.50 5.12 0.00 1.32 1.01 0.06 -0.55 120.40 124.86 1qjo s VAL 54 Ca 0.34 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1qjo s VAL 54 Cb -0.01 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1qjo s VAL 54 CO 0.19 0.26 0.00 1.17 0.00 0.00 0.00 175.10 176.72 1qjo n LYS 55 N 0.80 0.00 -3.74 2.72 4.81 -0.44 -1.86 118.16 120.45 1qjo n LYS 55 Ca -0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.22 1qjo n LYS 55 Cb 0.52 -0.12 -0.15 0.00 0.02 0.00 0.00 35.03 35.30 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 -0.69 0.04 -0.13 1.64 2.12 -0.38 -4.44 118.70 116.86 1qjo s GLU 56 Ca 0.00 0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.69 1qjo s GLU 56 Cb 0.00 -0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.18 1qjo s GLU 56 CO 0.00 -0.19 -0.19 -0.48 -0.54 0.00 0.00 175.26 173.87 1qjo s LEU 57 N 1.29 1.93 -0.64 2.70 2.34 -1.26 -0.66 118.68 124.39 1qjo s LEU 57 Ca -0.07 -0.53 0.00 0.00 0.06 0.00 0.00 54.13 53.59 1qjo s LEU 57 Cb -0.12 -1.29 0.42 0.00 -0.56 0.00 0.00 46.19 44.64 1qjo s LEU 57 CO -0.05 0.05 1.82 0.29 -1.06 0.00 0.00 176.35 177.40 1qjo n LYS 58 N 4.17 2.92 -4.33 1.48 4.01 -1.24 -4.96 118.16 120.20 1qjo n LYS 58 Ca -0.19 -3.59 -0.20 0.00 -0.51 0.00 0.00 58.31 53.82 1qjo n LYS 58 Cb 0.51 -2.28 -0.11 0.00 -0.51 0.00 0.00 35.03 32.65 1qjo n LYS 58 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1qjo s VAL 59 N -4.91 1.73 0.24 -0.18 0.11 -1.26 -5.07 120.40 111.05 1qjo s VAL 59 Ca 0.58 -2.04 -0.04 0.00 -2.93 0.00 0.00 61.98 57.55 1qjo s VAL 59 Cb 0.47 -1.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.39 1qjo s VAL 59 CO -0.12 -0.46 0.28 0.21 -3.33 0.00 0.00 175.10 171.68 1qjo s ASN 60 N -2.95 0.25 -0.58 3.54 3.84 -1.26 -5.09 114.94 112.69 1qjo s ASN 60 Ca 0.18 -1.28 -0.22 0.00 0.21 0.00 0.00 52.86 51.75 1qjo s ASN 60 Cb -0.03 0.48 0.06 0.00 -0.55 0.00 0.00 41.25 41.21 1qjo s ASN 60 CO 0.06 -0.99 0.88 -0.69 -2.79 0.00 0.00 177.10 173.57 1qjo s VAL 61 N -3.96 4.48 0.00 -5.21 1.01 -1.26 -2.34 120.40 113.12 1qjo s VAL 61 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1qjo s VAL 61 Cb 0.04 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1qjo s VAL 61 CO 0.13 -1.17 0.00 0.61 0.00 0.00 0.00 175.10 174.67 1qjo n GLY 62 N 5.20 0.71 3.51 4.51 0.00 -1.05 -5.00 105.19 113.08 1qjo n GLY 62 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.20 3.63 0.12 1.61 2.15 -0.99 -4.91 116.67 117.08 1qjo s ASP 63 Ca 0.00 -1.15 0.04 0.00 0.43 0.00 0.00 52.55 51.87 1qjo s ASP 63 Cb 0.00 -0.32 -0.04 0.00 -0.30 0.00 0.00 42.92 42.26 1qjo s ASP 63 CO 0.00 -0.14 0.12 -1.59 -0.17 0.00 0.00 175.17 173.39 1qjo s LYS 64 N -3.59 2.93 0.24 4.34 0.00 -1.26 0.23 119.74 122.63 1qjo s LYS 64 Ca 0.31 -0.77 0.01 0.00 0.00 0.00 0.00 55.97 55.52 1qjo s LYS 64 Cb 0.00 -2.70 -0.05 0.00 0.00 0.00 0.00 37.83 35.08 1qjo s LYS 64 CO 0.16 0.52 0.11 0.54 0.00 0.00 0.00 175.35 176.69 1qjo s VAL 65 N -1.59 0.35 -0.10 1.79 0.11 0.86 -4.95 120.40 116.88 1qjo s VAL 65 Ca 0.30 -2.00 -0.32 0.00 -2.93 0.00 0.00 61.98 57.03 1qjo s VAL 65 Cb -0.11 -2.58 0.12 0.00 -1.53 0.00 0.00 36.38 32.28 1qjo s VAL 65 CO 0.23 0.00 1.07 -1.59 -3.33 0.00 0.00 175.10 171.48 1qjo s LYS 66 N -4.05 0.55 0.12 1.54 -2.85 -1.26 -1.00 119.74 112.79 1qjo s LYS 66 Ca 0.38 -0.21 -0.33 0.00 -1.00 0.00 0.00 55.97 54.81 1qjo s LYS 66 Cb 0.07 0.25 -0.13 0.00 -2.06 0.00 0.00 37.83 35.96 1qjo s LYS 66 CO 0.14 -0.24 1.69 -2.37 0.10 0.00 0.00 175.35 174.67 1qjo n THR 67 N -0.18 0.16 0.00 3.79 5.66 -1.24 -2.89 114.28 119.59 1qjo n THR 67 Ca -0.04 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1qjo n THR 67 Cb 0.60 -1.74 0.00 0.00 -1.55 0.00 0.00 70.33 67.63 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 3.79 3.10 3.71 1.09 0.00 0.11 -4.90 105.19 112.08 1qjo n GLY 68 Ca 0.18 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 6.39 -1.48 1.61 0.01 -1.14 -4.39 113.70 114.70 1qjo s SER 69 Ca 0.00 2.84 -0.12 0.00 1.31 0.00 0.00 55.95 59.97 1qjo s SER 69 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 1qjo s SER 69 CO 0.00 -1.00 2.53 0.18 0.41 0.00 0.00 173.24 175.37 1qjo n LEU 70 N 4.80 7.49 -0.26 2.44 4.32 -1.26 -2.30 117.00 132.23 1qjo n LEU 70 Ca 0.17 -4.12 -0.01 0.00 -0.02 0.00 0.00 56.01 52.03 1qjo n LEU 70 Cb 0.36 -1.56 0.02 0.00 -1.62 0.00 0.00 43.42 40.62 1qjo n LEU 70 CO 0.65 1.44 0.39 -0.38 -1.22 0.00 0.00 177.39 178.27 1qjo n ILE 71 N 4.43 -0.36 -4.07 -0.08 2.08 0.61 -4.73 119.36 117.24 1qjo n ILE 71 Ca 0.63 1.58 -0.13 0.00 0.56 0.00 0.00 62.75 65.40 1qjo n ILE 71 Cb 0.31 -2.08 -0.05 0.00 -0.75 0.00 0.00 39.64 37.07 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 -5.62 1.79 -0.08 0.38 0.23 -1.07 -3.65 119.30 111.27 1qjo s MET 72 Ca -0.09 -1.63 0.04 0.00 -1.03 0.00 0.00 55.69 52.98 1qjo s MET 72 Cb 0.13 0.44 -0.01 0.00 -1.53 0.00 0.00 34.83 33.86 1qjo s MET 72 CO 0.48 -0.74 -0.20 0.96 -2.03 0.00 0.00 175.02 173.49 1qjo s ILE 73 N -3.33 2.48 0.35 3.16 -4.36 0.17 0.12 121.20 119.78 1qjo s ILE 73 Ca 0.29 -0.90 0.08 0.00 -0.26 0.00 0.00 60.65 59.86 1qjo s ILE 73 Cb -0.00 -1.96 -0.05 0.00 1.25 0.00 0.00 42.46 41.70 1qjo s ILE 73 CO 0.17 0.56 0.11 -0.36 0.24 0.00 0.00 174.94 175.66 1qjo s PHE 74 N -0.06 2.64 -0.54 1.37 0.08 0.22 -1.25 117.98 120.44 1qjo s PHE 74 Ca -0.05 -0.44 0.04 0.00 0.12 0.00 0.00 56.93 56.60 1qjo s PHE 74 Cb -0.14 -1.65 0.17 0.00 -0.57 0.00 0.00 43.02 40.82 1qjo s PHE 74 CO 0.04 0.35 0.40 -2.00 -0.10 0.00 0.00 175.22 173.91 1qjo s GLU 75 N -3.82 1.59 0.00 0.44 2.56 0.29 0.17 118.70 119.93 1qjo s GLU 75 Ca 0.37 -2.62 0.00 0.00 0.00 0.00 0.00 54.97 52.72 1qjo s GLU 75 Cb -0.00 -2.33 0.00 0.00 2.00 0.00 0.00 34.13 33.80 1qjo s GLU 75 CO 0.22 -1.33 0.04 1.33 -0.56 0.00 0.00 175.26 174.96 1qjo n VAL 76 N 2.53 0.00 -4.56 3.70 0.24 -1.26 -3.33 118.33 115.66 1qjo n VAL 76 Ca 0.24 -0.04 -0.26 0.00 -2.04 0.00 0.00 64.34 62.24 1qjo n VAL 76 Cb 0.41 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.69 1qjo n VAL 76 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1qjo s GLU 77 N 0.92 1.87 0.00 7.34 0.41 -1.26 -4.78 118.70 123.20 1qjo s GLU 77 Ca 0.00 -2.10 0.00 0.00 -0.41 0.00 0.00 54.97 52.46 1qjo s GLU 77 Cb 0.00 -1.10 0.00 0.00 -1.78 0.00 0.00 34.13 31.25 1qjo s GLU 77 CO 0.00 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 174.93 1qjo n GLY 78 N -0.90 1.13 0.00 -1.39 0.00 -1.26 -4.22 105.19 98.55 1qjo n GLY 78 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 4.61 0.00 -1.26 -5.23 120.51 118.63 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