#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmq s VAL 2 N 0.00 4.23 0.30 1.12 0.11 -1.26 0.76 120.40 125.66 1xmq s VAL 2 Ca 0.00 1.88 0.03 0.00 -2.93 0.00 0.00 61.98 60.95 1xmq s VAL 2 Cb 0.00 -4.22 -0.05 0.00 -1.53 0.00 0.00 36.38 30.58 1xmq s VAL 2 CO 0.00 0.50 0.09 -0.54 -3.33 0.00 0.00 175.10 171.82 1xmq s LYS 3 N -1.20 1.56 -0.22 1.54 1.02 0.75 -2.08 119.74 121.11 1xmq s LYS 3 Ca 0.39 -1.87 0.01 0.00 0.02 0.00 0.00 55.97 54.52 1xmq s LYS 3 Cb -0.24 -0.52 0.05 0.00 -0.52 0.00 0.00 37.83 36.60 1xmq s LYS 3 CO 0.29 -0.28 -0.10 0.42 -0.92 0.00 0.00 175.35 174.76 1xmq s ILE 4 N -3.52 1.80 0.29 2.17 1.01 -0.78 0.51 121.20 122.68 1xmq s ILE 4 Ca 0.36 -1.24 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1xmq s ILE 4 Cb 0.08 -1.91 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 1xmq s ILE 4 CO 0.15 0.07 0.37 -2.11 0.00 0.00 0.00 174.94 173.41 1xmq n ARG 5 N 4.60 0.53 -3.66 2.79 1.85 0.75 -1.53 116.66 122.00 1xmq n ARG 5 Ca -0.14 -2.51 -0.36 0.00 -1.00 0.00 0.00 57.85 53.84 1xmq n ARG 5 Cb 0.45 2.31 -0.08 0.00 -1.05 0.00 0.00 32.46 34.08 1xmq n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1xmq s LEU 6 N 0.00 4.20 -0.10 2.89 1.02 -1.26 0.22 118.68 125.64 1xmq s LEU 6 Ca 0.27 0.28 -0.01 0.00 0.02 0.00 0.00 54.13 54.69 1xmq s LEU 6 Cb -0.00 -2.17 -0.03 0.00 0.02 0.00 0.00 46.19 44.01 1xmq s LEU 6 CO 0.19 0.13 -0.06 0.00 0.02 0.00 0.00 176.35 176.64 1xmq s ALA 7 N 0.55 3.00 -0.42 4.21 0.00 -0.57 -4.89 121.76 123.63 1xmq s ALA 7 Ca 0.10 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 1xmq s ALA 7 Cb -0.12 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.67 1xmq s ALA 7 CO 0.01 0.44 1.11 1.03 0.00 0.00 0.00 175.76 178.34 1xmq s ARG 8 N -0.37 3.83 0.00 0.00 1.81 -1.26 -0.44 118.95 122.52 1xmq s ARG 8 Ca 0.06 0.72 0.00 0.00 -1.72 0.00 0.00 55.73 54.79 1xmq s ARG 8 Cb -0.12 -3.85 0.00 0.00 -0.45 0.00 0.00 34.95 30.53 1xmq s ARG 8 CO 0.02 -1.21 0.17 1.19 -0.68 0.00 0.00 175.30 174.79 1xmq n PHE 9 N 7.48 0.00 0.00 -0.53 3.72 0.11 -4.94 117.46 123.30 1xmq n PHE 9 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1xmq n PHE 9 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1xmq n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xmq n GLY 10 N 0.40 -1.59 3.58 1.37 0.00 -0.82 -4.78 105.19 103.36 1xmq n GLY 10 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1xmq n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xmq s SER 11 N -1.82 -0.02 -0.19 1.61 1.04 -0.67 -4.88 113.70 108.77 1xmq s SER 11 Ca 0.00 -0.02 -0.38 0.00 0.48 0.00 0.00 55.95 56.02 1xmq s SER 11 Cb 0.00 0.04 -0.15 0.00 0.10 0.00 0.00 66.02 66.01 1xmq s SER 11 CO 0.00 -0.07 1.73 1.17 0.98 0.00 0.00 173.24 177.05 1xmq n LYS 12 N -0.38 1.38 -0.90 4.02 4.81 -1.26 0.10 118.16 125.94 1xmq n LYS 12 Ca -0.06 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1xmq n LYS 12 Cb 0.62 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1xmq n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1xmq n HIS 13 N 5.28 0.00 -2.88 5.64 8.25 -1.26 -4.86 115.22 125.39 1xmq n HIS 13 Ca 0.25 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.52 1xmq n HIS 13 Cb 0.17 -0.99 -0.01 0.00 1.12 0.00 0.00 29.99 30.29 1xmq n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1xmq n ASN 14 N -0.34 2.32 -4.76 0.41 5.15 0.29 -5.10 115.26 113.22 1xmq n ASN 14 Ca 0.00 -3.16 -0.41 0.00 -0.60 0.00 0.00 54.58 50.40 1xmq n ASN 14 Cb 0.17 -0.56 -0.01 0.00 -0.53 0.00 0.00 39.78 38.85 1xmq n ASN 14 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1xmq n PRO 15 N -0.04 2.72 -3.67 1.20 -0.04 -1.21 -1.68 135.00 132.28 1xmq n PRO 15 Ca 0.24 0.96 -0.13 0.00 -0.04 0.00 0.00 63.50 64.53 1xmq n PRO 15 Cb 0.65 -2.73 -0.13 0.00 -0.04 0.00 0.00 33.50 31.26 1xmq n PRO 15 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1xmq s HIS 16 N -0.55 -0.46 0.25 0.54 3.76 -1.26 -4.51 115.29 113.07 1xmq s HIS 16 Ca 0.59 1.02 0.07 0.00 -0.15 0.00 0.00 55.06 56.59 1xmq s HIS 16 Cb -0.48 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.19 1xmq s HIS 16 CO 0.56 -0.35 0.17 0.71 -0.85 0.00 0.00 174.74 174.98 1xmq s TYR 17 N 2.27 3.06 -0.14 1.40 1.51 -0.32 0.06 117.35 125.19 1xmq s TYR 17 Ca -0.01 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1xmq s TYR 17 Cb -0.12 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 40.35 1xmq s TYR 17 CO -0.09 0.53 -0.14 1.03 -1.11 0.00 0.00 175.55 175.77 1xmq s ARG 18 N -3.82 3.31 -0.22 -0.62 0.52 0.42 -1.40 118.95 117.12 1xmq s ARG 18 Ca 0.33 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.53 1xmq s ARG 18 Cb -0.08 -2.62 -0.00 0.00 0.52 0.00 0.00 34.95 32.77 1xmq s ARG 18 CO 0.24 0.13 1.19 0.42 0.02 0.00 0.00 175.30 177.30 1xmq s ILE 19 N 0.54 4.39 0.04 1.52 1.01 -1.06 -1.52 121.20 126.13 1xmq s ILE 19 Ca -0.09 1.65 0.03 0.00 0.00 0.00 0.00 60.65 62.24 1xmq s ILE 19 Cb -0.16 -4.16 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 1xmq s ILE 19 CO 0.04 -0.25 -0.10 -0.69 0.00 0.00 0.00 174.94 173.94 1xmq s VAL 20 N 3.60 0.76 -0.20 2.92 1.01 0.13 -1.25 120.40 127.37 1xmq s VAL 20 Ca 0.51 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 1xmq s VAL 20 Cb -0.18 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1xmq s VAL 20 CO 0.14 -0.21 0.41 -0.69 0.00 0.00 0.00 175.10 174.75 1xmq s VAL 21 N -1.10 5.19 0.32 2.92 1.01 -0.50 -0.18 120.40 128.07 1xmq s VAL 21 Ca -0.04 0.72 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 1xmq s VAL 21 Cb -0.09 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1xmq s VAL 21 CO 0.01 0.24 0.77 0.28 0.00 0.00 0.00 175.10 176.40 1xmq s THR 22 N 1.36 0.00 0.27 3.92 -1.32 0.18 -0.32 115.64 119.74 1xmq s THR 22 Ca 0.19 -0.98 -0.29 0.00 -1.21 0.00 0.00 61.69 59.40 1xmq s THR 22 Cb -0.15 -2.42 -0.09 0.00 -1.51 0.00 0.00 72.50 68.33 1xmq s THR 22 CO 0.08 0.00 1.01 -0.62 -2.21 0.00 0.00 174.62 172.89 1xmq s ASP 23 N -3.00 7.42 0.56 8.08 -1.08 -1.26 0.27 116.67 127.65 1xmq s ASP 23 Ca 0.13 2.09 0.28 0.00 -0.52 0.00 0.00 52.55 54.53 1xmq s ASP 23 Cb -0.05 -2.61 1.47 0.00 -1.46 0.00 0.00 42.92 40.27 1xmq s ASP 23 CO 0.09 -0.02 1.96 0.00 0.52 0.00 0.00 175.17 177.72 1xmq h ALA 24 N 3.86 2.35 -0.16 3.66 0.00 0.03 -2.56 119.26 126.44 1xmq h ALA 24 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xmq h ALA 24 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xmq h ALA 24 CO 0.67 -0.70 0.00 0.54 0.00 0.00 0.00 179.25 179.76 1xmq n ARG 25 N -4.05 1.81 -3.02 0.00 1.74 -1.26 -4.96 116.66 106.92 1xmq n ARG 25 Ca 0.10 -1.21 -0.28 0.00 -0.77 0.00 0.00 57.85 55.69 1xmq n ARG 25 Cb 0.65 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 30.65 1xmq n ARG 25 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xmq s ARG 26 N -1.81 3.60 0.83 5.56 3.52 -0.96 -5.02 118.95 124.68 1xmq s ARG 26 Ca 0.34 0.09 -0.16 0.00 -0.13 0.00 0.00 55.73 55.86 1xmq s ARG 26 Cb 0.19 -2.51 -0.10 0.00 -1.56 0.00 0.00 34.95 30.96 1xmq s ARG 26 CO 0.28 0.02 -0.25 1.63 -0.81 0.00 0.00 175.30 176.17 1xmq n LYS 27 N -1.60 0.01 -0.35 5.12 5.02 -1.26 -4.78 118.16 120.31 1xmq n LYS 27 Ca -0.01 0.02 -0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1xmq n LYS 27 Cb 0.55 -1.27 0.15 0.00 -0.02 0.00 0.00 35.03 34.44 1xmq n LYS 27 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1xmq h ARG 28 N -0.75 1.22 -0.56 1.97 2.43 -1.97 -2.26 114.38 114.47 1xmq h ARG 28 Ca -0.44 -0.07 -0.27 0.00 -0.81 0.00 0.00 59.98 58.39 1xmq h ARG 28 Cb 1.34 -0.28 -0.16 0.00 -0.42 0.00 0.00 29.97 30.45 1xmq h ARG 28 CO 0.32 0.81 0.16 -0.25 -1.51 0.00 0.00 179.97 179.50 1xmq n ASP 29 N -4.42 3.03 -3.05 -3.80 10.43 -1.26 -4.63 116.55 112.86 1xmq n ASP 29 Ca 0.13 -3.67 0.00 0.00 2.57 0.00 0.00 54.79 53.82 1xmq n ASP 29 Cb 0.07 -0.70 0.00 0.00 1.84 0.00 0.00 41.12 42.33 1xmq n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xmq n GLY 30 N -1.05 -0.53 3.59 0.44 0.00 -0.85 -4.95 105.19 101.83 1xmq n GLY 30 Ca 0.41 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1xmq n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xmq s LYS 31 N 0.00 3.51 0.62 1.61 2.20 -1.26 -4.98 119.74 121.44 1xmq s LYS 31 Ca 0.00 0.47 -0.04 0.00 -0.36 0.00 0.00 55.97 56.04 1xmq s LYS 31 Cb 0.00 -4.02 0.04 0.00 -1.51 0.00 0.00 37.83 32.34 1xmq s LYS 31 CO 0.00 -1.68 0.90 1.52 -0.36 0.00 0.00 175.35 175.74 1xmq s TYR 32 N 5.23 2.97 -0.04 4.03 1.13 -1.26 -4.82 117.35 124.59 1xmq s TYR 32 Ca 0.49 0.32 0.13 0.00 -1.41 0.00 0.00 57.07 56.60 1xmq s TYR 32 Cb -0.09 -2.93 -0.17 0.00 -1.10 0.00 0.00 41.96 37.67 1xmq s TYR 32 CO 0.28 -1.09 0.93 0.82 -2.51 0.00 0.00 175.55 173.98 1xmq h ILE 33 N -0.27 0.96 -1.36 -3.49 2.04 -1.05 -3.49 117.51 110.86 1xmq h ILE 33 Ca -0.44 -2.64 0.16 0.00 1.00 0.00 0.00 64.86 62.94 1xmq h ILE 33 Cb 1.30 2.42 -0.25 0.00 -0.74 0.00 0.00 36.82 39.55 1xmq h ILE 33 CO 0.58 0.55 0.73 -0.70 0.00 0.00 0.00 178.15 179.30 1xmq s GLU 34 N -2.75 0.36 -0.12 2.37 2.12 -1.17 -5.00 118.70 114.50 1xmq s GLU 34 Ca -0.02 0.07 -0.06 0.00 0.36 0.00 0.00 54.97 55.32 1xmq s GLU 34 Cb 0.09 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 1xmq s GLU 34 CO 0.81 -0.12 0.10 0.21 -0.54 0.00 0.00 175.26 175.73 1xmq s LYS 35 N -1.15 3.43 0.00 4.30 2.20 -1.26 -1.41 119.74 125.85 1xmq s LYS 35 Ca 0.03 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 1xmq s LYS 35 Cb -0.01 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1xmq s LYS 35 CO -0.03 0.70 0.73 0.44 -0.36 0.00 0.00 175.35 176.83 1xmq n ILE 36 N 2.23 0.50 -3.52 5.43 -5.35 -0.38 -4.95 119.36 113.32 1xmq n ILE 36 Ca -0.19 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 1xmq n ILE 36 Cb 0.54 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 1xmq n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xmq n GLY 37 N -0.25 -0.62 3.71 3.28 0.00 -1.14 -1.24 105.19 108.93 1xmq n GLY 37 Ca 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 1xmq n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xmq s TYR 38 N -3.00 -0.16 -0.27 1.61 -0.85 -0.89 -2.55 117.35 111.25 1xmq s TYR 38 Ca 0.00 -0.11 -0.25 0.00 -0.52 0.00 0.00 57.07 56.19 1xmq s TYR 38 Cb 0.00 0.62 0.07 0.00 0.38 0.00 0.00 41.96 43.03 1xmq s TYR 38 CO 0.00 -0.76 0.72 -0.47 -1.52 0.00 0.00 175.55 173.52 1xmq s TYR 39 N -3.22 -0.79 -0.34 -3.49 5.04 -0.50 -2.62 117.35 111.43 1xmq s TYR 39 Ca 0.11 1.93 0.03 0.00 -2.44 0.00 0.00 57.07 56.70 1xmq s TYR 39 Cb -0.01 0.28 0.10 0.00 0.35 0.00 0.00 41.96 42.68 1xmq s TYR 39 CO 0.00 -0.38 0.06 0.34 -1.34 0.00 0.00 175.55 174.23 1xmq s ASP 40 N 0.40 4.67 0.36 4.32 3.68 0.34 -1.17 116.67 129.27 1xmq s ASP 40 Ca -0.00 -2.09 0.13 0.00 2.13 0.00 0.00 52.55 52.72 1xmq s ASP 40 Cb -0.05 -1.53 0.95 0.00 -1.45 0.00 0.00 42.92 40.84 1xmq s ASP 40 CO 0.01 -0.38 1.79 -0.65 0.13 0.00 0.00 175.17 176.06 1xmq h PRO 41 N 7.67 0.53 -0.23 4.34 0.11 -1.84 0.13 132.00 142.72 1xmq h PRO 41 Ca -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1xmq h PRO 41 Cb 1.02 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1xmq h PRO 41 CO 0.51 0.35 0.00 0.54 -0.21 0.00 0.00 178.00 179.20 1xmq n ARG 42 N -4.68 1.50 -3.09 1.05 1.74 -1.26 -4.94 116.66 106.98 1xmq n ARG 42 Ca 0.24 -0.76 -0.15 0.00 -0.77 0.00 0.00 57.85 56.42 1xmq n ARG 42 Cb 0.72 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 1xmq n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xmq n LYS 43 N 0.11 -0.86 -0.01 5.56 4.01 0.43 -4.80 118.16 122.61 1xmq n LYS 43 Ca 0.07 0.45 0.13 0.00 -0.51 0.00 0.00 58.31 58.45 1xmq n LYS 43 Cb 0.19 -1.17 0.47 0.00 -0.51 0.00 0.00 35.03 34.01 1xmq n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1xmq n THR 44 N -1.44 0.03 -3.74 -0.18 -2.24 -1.26 -4.89 114.28 100.55 1xmq n THR 44 Ca -0.16 -0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 1xmq n THR 44 Cb 0.37 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.11 1xmq n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xmq s THR 45 N -1.97 0.10 -1.32 4.28 -4.23 -1.26 -5.00 115.64 106.23 1xmq s THR 45 Ca 0.37 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1xmq s THR 45 Cb 0.21 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1xmq s THR 45 CO 0.32 -0.45 0.30 -0.81 -0.54 0.00 0.00 174.62 173.44 1xmq n PRO 46 N 0.05 0.45 -2.76 3.99 -0.04 -1.26 -2.69 135.00 132.73 1xmq n PRO 46 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 1xmq n PRO 46 Cb 0.62 -1.15 0.02 0.00 -0.04 0.00 0.00 33.50 32.95 1xmq n PRO 46 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xmq n ASP 47 N 0.03 1.16 -0.51 3.54 4.64 -1.26 -4.93 116.55 119.22 1xmq n ASP 47 Ca 0.00 -2.77 0.05 0.00 -1.38 0.00 0.00 54.79 50.69 1xmq n ASP 47 Cb 0.08 -0.46 0.13 0.00 -1.04 0.00 0.00 41.12 39.82 1xmq n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 1xmq n TRP 48 N -0.01 0.37 -3.64 -0.67 4.27 -1.10 -4.79 117.44 111.87 1xmq n TRP 48 Ca 0.12 -0.18 -0.05 0.00 -3.89 0.00 0.00 57.50 53.49 1xmq n TRP 48 Cb 0.79 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.68 1xmq n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1xmq s LEU 49 N -1.01 -0.96 -0.03 5.67 2.96 -1.26 -0.51 118.68 123.54 1xmq s LEU 49 Ca 0.19 1.47 -0.09 0.00 -0.22 0.00 0.00 54.13 55.48 1xmq s LEU 49 Cb 0.10 2.31 0.01 0.00 0.50 0.00 0.00 46.19 49.11 1xmq s LEU 49 CO 0.13 -0.23 0.20 -0.75 -1.32 0.00 0.00 176.35 174.38 1xmq s LYS 50 N 1.94 0.45 0.08 1.98 2.20 -1.08 -5.02 119.74 120.30 1xmq s LYS 50 Ca -0.09 -0.14 -0.09 0.00 -0.36 0.00 0.00 55.97 55.30 1xmq s LYS 50 Cb -0.07 0.20 -0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1xmq s LYS 50 CO -0.19 -0.10 0.19 0.08 -0.36 0.00 0.00 175.35 174.97 1xmq s VAL 51 N -0.90 0.14 -0.89 4.02 1.01 -1.26 -2.09 120.40 120.43 1xmq s VAL 51 Ca -0.10 -1.15 -0.00 0.00 0.00 0.00 0.00 61.98 60.73 1xmq s VAL 51 Cb -0.05 -1.29 0.27 0.00 0.00 0.00 0.00 36.38 35.31 1xmq s VAL 51 CO 0.02 -0.63 1.06 -0.67 0.00 0.00 0.00 175.10 174.87 1xmq n ASP 52 N 0.02 4.98 -0.30 3.32 -0.08 -0.37 -4.92 116.55 119.20 1xmq n ASP 52 Ca -0.15 -3.35 0.21 0.00 -1.51 0.00 0.00 54.79 49.98 1xmq n ASP 52 Cb 0.62 -1.02 0.39 0.00 2.34 0.00 0.00 41.12 43.45 1xmq n ASP 52 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1xmq n VAL 53 N 1.43 -0.38 0.03 5.18 0.24 -1.26 0.77 118.33 124.34 1xmq n VAL 53 Ca 0.26 1.90 -0.10 0.00 -2.04 0.00 0.00 64.34 64.36 1xmq n VAL 53 Cb 0.37 -2.92 -0.04 0.00 -1.47 0.00 0.00 33.84 29.78 1xmq n VAL 53 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1xmq h GLU 54 N 0.00 -0.27 -0.17 7.34 4.57 -1.99 0.48 114.58 124.54 1xmq h GLU 54 Ca 0.65 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.79 1xmq h GLU 54 Cb 1.55 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 30.20 1xmq h GLU 54 CO -0.77 -0.18 -0.12 0.00 -1.18 0.00 0.00 179.01 176.76 1xmq h ARG 55 N -0.28 0.39 -0.59 1.92 2.47 -0.05 -2.23 114.38 116.00 1xmq h ARG 55 Ca 0.08 -0.19 0.11 0.00 -1.26 0.00 0.00 59.98 58.72 1xmq h ARG 55 Cb 0.39 -0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.59 1xmq h ARG 55 CO -0.23 0.73 -0.30 0.00 0.56 0.00 0.00 179.97 180.73 1xmq h ALA 56 N 0.65 0.05 -0.60 0.04 0.00 -0.37 0.59 119.26 119.63 1xmq h ALA 56 Ca 0.03 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1xmq h ALA 56 Cb 0.63 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1xmq h ALA 56 CO 0.03 -0.63 0.39 0.00 0.00 0.00 0.00 179.25 179.05 1xmq h ARG 57 N -0.14 0.66 0.50 0.00 3.08 -0.77 -2.13 114.38 115.59 1xmq h ARG 57 Ca 0.25 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1xmq h ARG 57 Cb 0.54 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1xmq h ARG 57 CO -0.67 0.44 -0.48 -0.92 -1.07 0.00 0.00 179.97 177.27 1xmq h TYR 58 N 0.68 -1.33 -0.70 3.04 5.03 0.80 -1.05 116.97 123.45 1xmq h TYR 58 Ca 0.24 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.61 1xmq h TYR 58 Cb 0.11 0.51 -0.05 0.00 1.55 0.00 0.00 36.73 38.85 1xmq h TYR 58 CO -0.00 -0.65 0.41 -1.49 -1.32 0.00 0.00 178.16 175.11 1xmq h TRP 59 N -0.98 0.76 -0.55 -3.82 4.06 -1.16 0.13 115.95 114.39 1xmq h TRP 59 Ca -0.06 0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.00 1xmq h TRP 59 Cb 0.84 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.73 1xmq h TRP 59 CO -0.23 0.39 0.37 -0.07 -3.56 0.00 0.00 178.44 175.34 1xmq h LEU 60 N 0.77 0.31 -0.86 -4.49 3.38 -1.21 0.17 115.31 113.37 1xmq h LEU 60 Ca 0.30 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1xmq h LEU 60 Cb 0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xmq h LEU 60 CO -0.16 0.19 -0.03 0.77 0.09 0.00 0.00 178.44 179.30 1xmq h SER 61 N 0.35 0.00 -0.36 -0.43 4.64 0.61 -3.05 113.55 115.32 1xmq h SER 61 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1xmq h SER 61 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1xmq h SER 61 CO -0.06 0.03 0.00 1.33 -0.87 0.00 0.00 176.83 177.26 1xmq n VAL 62 N -3.12 2.18 0.00 0.95 0.24 0.45 -4.96 118.33 114.07 1xmq n VAL 62 Ca 0.02 -1.63 0.00 0.00 -2.04 0.00 0.00 64.34 60.69 1xmq n VAL 62 Cb 0.41 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1xmq n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xmq n GLY 63 N -0.04 0.53 3.78 7.63 0.00 -0.79 -5.05 105.19 111.25 1xmq n GLY 63 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1xmq n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmq s ALA 64 N -2.00 3.54 -0.16 4.61 0.00 -0.42 -4.77 121.76 122.57 1xmq s ALA 64 Ca 0.00 1.52 -0.01 0.00 0.00 0.00 0.00 51.96 53.47 1xmq s ALA 64 Cb 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1xmq s ALA 64 CO 0.00 -1.00 -0.11 -1.14 0.00 0.00 0.00 175.76 173.52 1xmq s GLN 65 N -2.07 3.36 0.46 0.00 2.00 -0.88 -4.52 119.66 118.01 1xmq s GLN 65 Ca 0.52 -0.67 -0.09 0.00 -2.00 0.00 0.00 55.36 53.12 1xmq s GLN 65 Cb -0.45 -2.74 -0.05 0.00 0.80 0.00 0.00 33.01 30.56 1xmq s GLN 65 CO 0.61 0.07 0.81 -1.25 -0.50 0.00 0.00 175.29 175.04 1xmq s PRO 66 N 0.73 3.70 1.26 1.67 0.04 -1.26 -1.87 135.00 139.27 1xmq s PRO 66 Ca -0.05 0.45 -0.21 0.00 0.04 0.00 0.00 61.00 61.23 1xmq s PRO 66 Cb -0.15 -2.34 0.31 0.00 0.04 0.00 0.00 34.50 32.36 1xmq s PRO 66 CO 0.02 -0.15 1.07 2.41 0.04 0.00 0.00 177.00 180.38 1xmq n THR 67 N -1.75 0.00 0.06 1.26 -1.04 -0.58 -4.73 114.28 107.50 1xmq n THR 67 Ca 0.02 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.05 61.49 1xmq n THR 67 Cb 0.54 -1.21 -0.08 0.00 -1.82 0.00 0.00 70.33 67.76 1xmq n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1xmq h ASP 68 N -2.83 -0.17 -0.80 8.00 5.19 -1.98 -1.73 116.42 122.11 1xmq h ASP 68 Ca -0.41 -0.36 -0.04 0.00 -0.62 0.00 0.00 57.03 55.60 1xmq h ASP 68 Cb 1.27 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.79 1xmq h ASP 68 CO 0.27 0.33 0.35 0.74 -3.12 0.00 0.00 179.24 177.81 1xmq h THR 69 N -0.75 1.26 -0.16 0.35 2.02 -1.97 -0.89 112.91 112.78 1xmq h THR 69 Ca -0.02 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.45 1xmq h THR 69 Cb 0.52 0.28 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 1xmq h THR 69 CO 0.03 0.32 -0.38 0.00 0.37 0.00 0.00 175.52 175.86 1xmq h ALA 70 N 1.19 -0.48 0.11 6.16 0.00 -1.84 -0.05 119.26 124.34 1xmq h ALA 70 Ca 0.27 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1xmq h ALA 70 Cb 0.16 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1xmq h ALA 70 CO -0.03 -0.87 -0.26 -0.09 0.00 0.00 0.00 179.25 178.01 1xmq h ARG 71 N -0.44 -0.44 -0.90 0.00 2.43 -0.76 0.17 114.38 114.45 1xmq h ARG 71 Ca 0.09 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.41 1xmq h ARG 71 Cb 0.59 0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 30.11 1xmq h ARG 71 CO -0.40 -0.29 -0.45 -0.09 -1.51 0.00 0.00 179.97 177.23 1xmq h ARG 72 N -0.46 -0.05 0.44 0.20 2.43 -0.49 0.47 114.38 116.92 1xmq h ARG 72 Ca 0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1xmq h ARG 72 Cb 0.49 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1xmq h ARG 72 CO -0.15 -0.03 -0.21 -0.07 -1.51 0.00 0.00 179.97 177.99 1xmq h LEU 73 N -0.05 -0.50 -0.93 3.80 3.38 -0.61 -2.29 115.31 118.11 1xmq h LEU 73 Ca 0.26 -0.06 0.23 0.00 0.09 0.00 0.00 57.88 58.40 1xmq h LEU 73 Cb 0.54 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.29 1xmq h LEU 73 CO -0.90 -0.24 0.47 -0.07 0.09 0.00 0.00 178.44 177.78 1xmq h LEU 74 N -0.74 0.46 0.10 1.67 3.38 0.75 0.79 115.31 121.71 1xmq h LEU 74 Ca -0.06 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xmq h LEU 74 Cb 0.53 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1xmq h LEU 74 CO 0.10 0.04 -0.11 -0.09 0.09 0.00 0.00 178.44 178.46 1xmq h ARG 75 N 0.47 -0.23 -0.69 1.13 2.43 0.17 -2.28 114.38 115.37 1xmq h ARG 75 Ca 0.59 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.93 1xmq h ARG 75 Cb 1.11 0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 30.60 1xmq h ARG 75 CO -0.51 -0.16 0.01 1.96 -1.51 0.00 0.00 179.97 179.77 1xmq h GLN 76 N -0.24 0.12 0.00 0.20 4.20 -0.29 0.94 115.11 120.03 1xmq h GLN 76 Ca 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xmq h GLN 76 Cb 0.24 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1xmq h GLN 76 CO -0.05 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.19 1xmq n ALA 77 N -2.87 1.98 -3.01 3.87 0.00 -0.89 -4.83 120.51 114.77 1xmq n ALA 77 Ca 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 1xmq n ALA 77 Cb 0.42 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 18.82 1xmq n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmq n GLY 78 N -0.08 -0.04 0.06 0.00 0.00 0.32 -4.88 105.19 100.58 1xmq n GLY 78 Ca 0.05 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 1xmq n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xmq h VAL 79 N -1.39 1.70 -0.01 1.61 2.07 -1.50 -3.32 116.25 115.41 1xmq h VAL 79 Ca -0.37 -3.37 0.00 0.00 0.82 0.00 0.00 66.70 63.78 1xmq h VAL 79 Cb 1.22 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1xmq h VAL 79 CO 0.33 0.96 -0.46 0.49 0.02 0.00 0.00 177.57 178.91 1xmq n PHE 80 N -3.37 0.00 -1.58 1.57 3.01 -1.26 -4.94 117.46 110.89 1xmq n PHE 80 Ca -0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1xmq n PHE 80 Cb 0.93 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.37 1xmq n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1xmq n ARG 81 N -0.71 1.65 -0.03 -1.08 0.63 -1.25 -4.80 116.66 111.07 1xmq n ARG 81 Ca 0.04 0.37 -0.10 0.00 -0.92 0.00 0.00 57.85 57.25 1xmq n ARG 81 Cb 0.26 -3.25 -0.14 0.00 0.45 0.00 0.00 32.46 29.78 1xmq n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xmq n GLN 82 N 8.81 0.65 0.00 -0.14 10.64 -1.26 -5.08 117.38 130.99 1xmq n GLN 82 Ca 0.33 0.27 0.00 0.00 -1.83 0.00 0.00 57.00 55.76 1xmq n GLN 82 Cb 0.46 -1.76 0.00 0.00 -0.86 0.00 0.00 30.24 28.08 1xmq n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62