#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmq n ARG 3 N 0.00 0.89 -3.69 0.54 1.74 -1.26 -5.14 116.66 109.74 1xmq n ARG 3 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1xmq n ARG 3 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1xmq n ARG 3 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1xmq s SER 4 N -1.00 -0.13 0.00 0.55 1.04 -1.26 -5.06 113.70 107.84 1xmq s SER 4 Ca 0.00 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1xmq s SER 4 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1xmq s SER 4 CO 0.00 -0.62 0.00 0.18 0.98 0.00 0.00 173.24 173.78 1xmq n LEU 5 N -0.47 0.00 0.00 2.42 4.77 -1.26 -5.11 117.00 117.35 1xmq n LEU 5 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1xmq n LEU 5 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1xmq n LEU 5 CO 0.13 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.48 1xmq n LYS 6 N 0.00 0.00 -3.25 3.23 5.02 -1.26 -4.97 118.16 116.93 1xmq n LYS 6 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1xmq n LYS 6 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1xmq n LYS 6 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1xmq s LYS 7 N 0.00 0.46 0.00 1.97 -2.85 -1.26 -4.99 119.74 113.07 1xmq s LYS 7 Ca 0.00 0.46 0.00 0.00 -1.00 0.00 0.00 55.97 55.43 1xmq s LYS 7 Cb 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.71 1xmq s LYS 7 CO 0.00 -0.89 0.00 0.41 0.10 0.00 0.00 175.35 174.97 1xmq n GLY 8 N 5.38 0.20 3.51 0.59 0.00 -1.26 -5.03 105.19 108.58 1xmq n GLY 8 Ca 0.01 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 1xmq n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xmq n VAL 9 N 0.00 -0.01 -1.68 1.61 0.31 -1.26 -4.84 118.33 112.46 1xmq n VAL 9 Ca 0.00 -0.16 -0.39 0.00 -0.01 0.00 0.00 64.34 63.77 1xmq n VAL 9 Cb 0.00 -0.80 0.03 0.00 -0.91 0.00 0.00 33.84 32.16 1xmq n VAL 9 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1xmq n PHE 10 N 10.95 1.77 -3.16 3.52 7.35 -1.26 -4.90 117.46 131.74 1xmq n PHE 10 Ca 0.62 0.47 0.04 0.00 -0.76 0.00 0.00 57.45 57.82 1xmq n PHE 10 Cb 0.12 -2.30 -0.01 0.00 0.35 0.00 0.00 39.48 37.64 1xmq n PHE 10 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1xmq s VAL 11 N -1.31 -0.88 0.08 -2.13 1.01 -1.26 -1.84 120.40 114.07 1xmq s VAL 11 Ca 0.68 0.00 -0.36 0.00 0.00 0.00 0.00 61.98 62.31 1xmq s VAL 11 Cb -0.46 -1.00 -0.15 0.00 0.00 0.00 0.00 36.38 34.77 1xmq s VAL 11 CO 0.52 0.00 1.48 0.47 0.00 0.00 0.00 175.10 177.57 1xmq n ASP 12 N 5.44 2.30 0.18 3.32 9.92 -1.26 -4.81 116.55 131.63 1xmq n ASP 12 Ca -0.02 1.10 0.17 0.00 -0.53 0.00 0.00 54.79 55.51 1xmq n ASP 12 Cb 0.51 -1.28 0.80 0.00 -0.64 0.00 0.00 41.12 40.51 1xmq n ASP 12 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1xmq h ASP 13 N 5.46 0.00 -0.15 -2.24 -0.00 -2.00 -3.27 116.42 114.22 1xmq h ASP 13 Ca -0.47 0.00 0.01 0.00 -0.00 0.00 0.00 57.03 56.58 1xmq h ASP 13 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.61 1xmq h ASP 13 CO 0.84 0.00 -0.09 1.41 -0.00 0.00 0.00 179.24 181.40 1xmq n HIS 14 N -3.88 -0.06 -0.03 4.15 8.25 -1.26 -2.02 115.22 120.36 1xmq n HIS 14 Ca 0.03 0.18 -0.13 0.00 -0.26 0.00 0.00 57.72 57.54 1xmq n HIS 14 Cb 0.37 -0.32 -0.14 0.00 1.12 0.00 0.00 29.99 31.02 1xmq n HIS 14 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1xmq n LEU 15 N -3.15 1.50 -0.35 2.41 -0.00 -1.24 -3.46 117.00 112.71 1xmq n LEU 15 Ca 0.00 0.27 0.08 0.00 -0.00 0.00 0.00 56.01 56.36 1xmq n LEU 15 Cb 0.04 -0.29 0.17 0.00 -0.00 0.00 0.00 43.42 43.34 1xmq n LEU 15 CO -0.02 0.59 0.69 0.25 -0.00 0.00 0.00 177.39 178.90 1xmq h LEU 16 N 0.02 -0.82 0.00 1.47 5.85 -1.46 2.04 115.31 122.42 1xmq h LEU 16 Ca -0.38 0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1xmq h LEU 16 Cb 2.04 0.58 -0.00 0.00 0.37 0.00 0.00 40.66 43.65 1xmq h LEU 16 CO 0.07 -0.33 -0.93 1.05 -0.34 0.00 0.00 178.44 177.95 1xmq h GLU 17 N 0.00 0.00 0.00 1.25 4.11 -1.67 -2.80 114.58 115.47 1xmq h GLU 17 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 1xmq h GLU 17 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1xmq h GLU 17 CO -0.99 0.00 0.00 -0.22 0.07 0.00 0.00 179.01 177.87 1xmq h LYS 18 N 0.00 0.00 0.03 1.06 3.64 0.47 -3.07 116.57 118.70 1xmq h LYS 18 Ca -0.00 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.00 1xmq h LYS 18 Cb 1.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.77 1xmq h LYS 18 CO 0.00 0.00 -2.18 1.55 -2.27 0.00 0.00 179.45 176.55 1xmq n VAL 19 N -3.07 1.58 0.26 2.00 3.14 0.62 -3.98 118.33 118.88 1xmq n VAL 19 Ca 0.04 -0.44 0.15 0.00 -2.96 0.00 0.00 64.34 61.12 1xmq n VAL 19 Cb 0.50 -1.73 0.86 0.00 -1.06 0.00 0.00 33.84 32.41 1xmq n VAL 19 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1xmq h LEU 20 N -0.43 0.00 -0.78 6.55 8.10 -1.60 0.36 115.31 127.50 1xmq h LEU 20 Ca -0.54 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.33 1xmq h LEU 20 Cb 1.75 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.96 1xmq h LEU 20 CO -0.16 0.00 -0.38 -0.33 -4.11 0.00 0.00 178.44 173.46 1xmq h GLU 21 N 0.00 0.48 0.00 0.17 5.08 -1.70 -1.96 114.58 116.65 1xmq h GLU 21 Ca 0.03 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1xmq h GLU 21 Cb 0.15 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xmq h GLU 21 CO -0.00 0.79 0.00 1.28 -1.00 0.00 0.00 179.01 180.08 1xmq n LEU 22 N -4.04 0.26 0.14 1.33 4.77 0.12 -1.84 117.00 117.73 1xmq n LEU 22 Ca -0.01 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 1xmq n LEU 22 Cb 0.49 -0.49 0.16 0.00 -2.33 0.00 0.00 43.42 41.25 1xmq n LEU 22 CO 0.44 -0.23 0.51 0.78 -1.33 0.00 0.00 177.39 177.56 1xmq h ASN 23 N 0.00 0.00 -0.04 -1.43 2.35 -0.80 -1.82 115.58 113.84 1xmq h ASN 23 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1xmq h ASN 23 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1xmq h ASN 23 CO 0.00 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1xmq n ALA 24 N -2.03 2.60 -0.67 -0.83 0.00 -0.77 -3.33 120.51 115.49 1xmq n ALA 24 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1xmq n ALA 24 Cb 0.50 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1xmq n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xmq n LYS 25 N -0.43 0.09 0.00 0.00 5.02 -1.17 -5.11 118.16 116.56 1xmq n LYS 25 Ca 0.17 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1xmq n LYS 25 Cb 0.18 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1xmq n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xmq n GLY 26 N 0.03 1.07 3.23 0.72 0.00 -0.69 -4.97 105.19 104.57 1xmq n GLY 26 Ca 0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 1xmq n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xmq s GLU 27 N 0.00 0.97 0.00 1.61 0.41 -1.25 -4.20 118.70 116.25 1xmq s GLU 27 Ca 0.00 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 1xmq s GLU 27 Cb 0.00 -0.93 0.00 0.00 -1.78 0.00 0.00 34.13 31.42 1xmq s GLU 27 CO 0.00 0.19 0.00 1.17 -0.49 0.00 0.00 175.26 176.13 1xmq n LYS 28 N 0.81 3.42 -3.55 1.61 4.81 -1.26 -5.08 118.16 118.93 1xmq n LYS 28 Ca -0.18 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 56.97 1xmq n LYS 28 Cb 0.56 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.47 1xmq n LYS 28 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1xmq s ARG 29 N 0.59 0.57 0.33 1.64 0.52 -1.26 -4.92 118.95 116.43 1xmq s ARG 29 Ca 0.00 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 1xmq s ARG 29 Cb 0.00 -1.48 0.00 0.00 0.52 0.00 0.00 34.95 33.99 1xmq s ARG 29 CO 0.00 -1.13 0.00 -0.11 0.02 0.00 0.00 175.30 174.08 1xmq n LEU 30 N 4.38 -1.14 0.00 2.53 0.00 -1.24 -5.06 117.00 116.47 1xmq n LEU 30 Ca 0.05 1.68 0.00 0.00 0.00 0.00 0.00 56.01 57.74 1xmq n LEU 30 Cb 0.38 -1.38 0.00 0.00 0.00 0.00 0.00 43.42 42.43 1xmq n LEU 30 CO 0.13 -0.30 0.00 -0.38 0.00 0.00 0.00 177.39 176.84 1xmq n ILE 31 N -1.86 0.00 0.00 1.96 2.08 -0.36 -4.97 119.36 116.21 1xmq n ILE 31 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1xmq n ILE 31 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.10 1xmq n ILE 31 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1xmq n LYS 32 N 0.00 0.00 -4.47 0.38 2.85 -1.25 -4.59 118.16 111.08 1xmq n LYS 32 Ca 0.00 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 1xmq n LYS 32 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 1xmq n LYS 32 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1xmq s THR 33 N 0.00 0.84 0.00 0.58 2.01 0.57 -4.90 115.64 114.74 1xmq s THR 33 Ca 0.00 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.00 1xmq s THR 33 Cb 0.00 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.94 1xmq s THR 33 CO 0.00 0.00 0.43 0.79 -0.69 0.00 0.00 174.62 175.15 1xmq n TRP 34 N -0.77 0.00 -3.23 4.92 8.01 -1.26 -2.71 117.44 122.41 1xmq n TRP 34 Ca -0.04 -0.02 -0.46 0.00 -1.31 0.00 0.00 57.50 55.67 1xmq n TRP 34 Cb 0.66 -0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.94 1xmq n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1xmq s SER 35 N -0.04 6.85 0.00 -0.99 0.15 -1.26 -4.73 113.70 113.69 1xmq s SER 35 Ca 0.00 -2.74 0.26 0.00 0.70 0.00 0.00 55.95 54.17 1xmq s SER 35 Cb 0.00 -2.26 0.69 0.00 -1.71 0.00 0.00 66.02 62.74 1xmq s SER 35 CO 0.00 -0.63 1.53 -2.11 1.20 0.00 0.00 173.24 173.23 1xmq n ARG 36 N 4.36 1.14 0.20 5.44 1.85 -1.26 -3.58 116.66 124.81 1xmq n ARG 36 Ca 0.19 -0.74 0.06 0.00 -1.00 0.00 0.00 57.85 56.36 1xmq n ARG 36 Cb 0.46 -1.48 0.40 0.00 -1.05 0.00 0.00 32.46 30.78 1xmq n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xmq h ARG 37 N 1.80 0.00 -6.77 2.89 2.47 -2.00 -3.30 114.38 109.48 1xmq h ARG 37 Ca 0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 1xmq h ARG 37 Cb 0.56 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 28.92 1xmq h ARG 37 CO 0.00 0.34 0.62 -1.54 0.56 0.00 0.00 179.97 179.95 1xmq s SER 38 N -6.50 6.92 0.31 7.04 1.04 -1.23 -4.85 113.70 116.42 1xmq s SER 38 Ca -0.01 2.47 -0.27 0.00 0.48 0.00 0.00 55.95 58.62 1xmq s SER 38 Cb 0.12 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.52 1xmq s SER 38 CO 0.68 -0.46 0.95 -0.89 0.98 0.00 0.00 173.24 174.50 1xmq s THR 39 N -0.53 4.13 0.40 2.02 2.01 -0.77 -3.62 115.64 119.28 1xmq s THR 39 Ca 0.52 1.86 -0.23 0.00 0.31 0.00 0.00 61.69 64.15 1xmq s THR 39 Cb -0.37 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 67.97 1xmq s THR 39 CO 0.44 0.23 0.95 -0.63 -0.69 0.00 0.00 174.62 174.92 1xmq s ILE 40 N -1.50 4.29 0.07 1.82 1.01 0.48 -4.79 121.20 122.58 1xmq s ILE 40 Ca 0.48 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.71 1xmq s ILE 40 Cb -0.21 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1xmq s ILE 40 CO 0.26 -0.16 -0.05 0.68 0.00 0.00 0.00 174.94 175.67 1xmq s VAL 41 N -1.98 0.42 0.17 2.92 -7.23 -1.22 -4.30 120.40 109.18 1xmq s VAL 41 Ca 0.58 -1.79 -0.28 0.00 -1.81 0.00 0.00 61.98 58.68 1xmq s VAL 41 Cb -0.13 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 1xmq s VAL 41 CO 0.17 -0.90 1.52 -2.65 -0.31 0.00 0.00 175.10 172.94 1xmq n PRO 42 N 0.18 -0.40 -0.33 4.82 -0.02 -1.26 -1.15 135.00 136.84 1xmq n PRO 42 Ca -0.14 1.50 -0.01 0.00 -2.02 0.00 0.00 63.50 62.83 1xmq n PRO 42 Cb 0.60 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 1xmq n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1xmq n GLU 43 N -5.27 0.65 0.00 -0.52 0.00 -1.26 -1.67 120.64 112.57 1xmq n GLU 43 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.11 1xmq n GLU 43 Cb 0.28 -1.30 0.00 0.00 0.00 0.00 0.00 31.44 30.42 1xmq n GLU 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1xmq n MET 44 N 1.86 0.70 -2.10 3.44 1.56 -0.30 -4.78 117.12 117.50 1xmq n MET 44 Ca 0.04 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.11 1xmq n MET 44 Cb 0.32 -0.06 0.02 0.00 2.15 0.00 0.00 33.22 35.65 1xmq n MET 44 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1xmq s VAL 45 N -0.05 2.86 0.00 1.12 1.01 -0.67 -3.41 120.40 121.26 1xmq s VAL 45 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1xmq s VAL 45 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1xmq s VAL 45 CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1xmq n GLY 46 N 0.33 2.65 3.68 4.51 0.00 -1.23 -5.02 105.19 110.10 1xmq n GLY 46 Ca 0.13 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1xmq n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xmq s HIS 47 N -1.43 0.53 -0.20 1.61 3.76 -1.22 -4.88 115.29 113.45 1xmq s HIS 47 Ca 0.00 0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 55.26 1xmq s HIS 47 Cb 0.00 -3.69 0.06 0.00 1.11 0.00 0.00 32.58 30.06 1xmq s HIS 47 CO 0.00 -3.69 0.01 0.99 -0.85 0.00 0.00 174.74 171.20 1xmq s THR 48 N -3.27 0.76 -0.21 1.30 2.01 -1.26 -3.50 115.64 111.47 1xmq s THR 48 Ca 0.73 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1xmq s THR 48 Cb -0.07 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1xmq s THR 48 CO 0.55 -0.19 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.57 1xmq s ILE 49 N 1.75 2.92 -0.25 1.82 1.01 -0.92 -1.22 121.20 126.30 1xmq s ILE 49 Ca -0.02 -0.68 -0.25 0.00 0.00 0.00 0.00 60.65 59.70 1xmq s ILE 49 Cb -0.18 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 1xmq s ILE 49 CO -0.08 0.44 0.86 0.00 0.00 0.00 0.00 174.94 176.16 1xmq s ALA 50 N 1.41 3.64 -0.10 9.38 0.00 -1.25 -2.34 121.76 132.49 1xmq s ALA 50 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 1xmq s ALA 50 Cb -0.14 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1xmq s ALA 50 CO -0.06 -0.99 0.06 0.08 0.00 0.00 0.00 175.76 174.85 1xmq s VAL 51 N 2.92 4.80 0.46 0.00 1.01 -0.23 -0.31 120.40 129.06 1xmq s VAL 51 Ca 0.36 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 1xmq s VAL 51 Cb -0.15 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 1xmq s VAL 51 CO 0.08 0.60 0.99 -0.47 0.00 0.00 0.00 175.10 176.30 1xmq s TYR 52 N -0.86 3.18 -0.19 5.22 5.04 -1.10 0.29 117.35 128.93 1xmq s TYR 52 Ca 0.13 1.59 0.14 0.00 -2.44 0.00 0.00 57.07 56.49 1xmq s TYR 52 Cb -0.12 -2.94 -0.21 0.00 0.35 0.00 0.00 41.96 39.04 1xmq s TYR 52 CO 0.03 -0.45 0.02 0.09 -1.34 0.00 0.00 175.55 173.90 1xmq n ASN 53 N -0.86 0.80 0.00 4.32 5.03 -0.50 -4.91 115.26 119.14 1xmq n ASN 53 Ca 0.08 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.51 1xmq n ASN 53 Cb 0.53 0.74 0.00 0.00 -1.02 0.00 0.00 39.78 40.03 1xmq n ASN 53 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xmq n GLY 54 N 1.96 0.30 1.64 7.41 0.00 -1.26 -4.85 105.19 110.39 1xmq n GLY 54 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1xmq n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xmq n LYS 55 N 0.00 0.00 -4.53 1.61 4.81 -1.26 -5.14 118.16 113.64 1xmq n LYS 55 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 1xmq n LYS 55 Cb 0.00 -0.19 -0.11 0.00 0.02 0.00 0.00 35.03 34.76 1xmq n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1xmq s GLN 56 N -2.00 1.79 -0.26 1.64 -1.52 -1.26 -5.13 119.66 112.93 1xmq s GLN 56 Ca 0.00 -1.99 -0.11 0.00 -1.95 0.00 0.00 55.36 51.31 1xmq s GLN 56 Cb 0.00 -1.30 -0.05 0.00 -0.22 0.00 0.00 33.01 31.44 1xmq s GLN 56 CO 0.00 -0.08 0.17 -1.01 -0.25 0.00 0.00 175.29 174.11 1xmq s HIS 57 N -2.96 3.26 -0.24 0.91 3.76 -1.26 -1.40 115.29 117.36 1xmq s HIS 57 Ca 0.35 0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 55.30 1xmq s HIS 57 Cb 0.08 -2.31 -0.05 0.00 1.11 0.00 0.00 32.58 31.41 1xmq s HIS 57 CO 0.16 -0.05 0.19 0.14 -0.85 0.00 0.00 174.74 174.34 1xmq s VAL 58 N 1.37 5.34 -0.58 -0.90 -7.23 0.14 -4.81 120.40 113.73 1xmq s VAL 58 Ca 0.07 0.23 -0.27 0.00 -1.81 0.00 0.00 61.98 60.20 1xmq s VAL 58 Cb -0.15 -3.53 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 1xmq s VAL 58 CO 0.07 0.32 1.71 -2.16 -0.31 0.00 0.00 175.10 174.73 1xmq s PRO 59 N 1.21 2.90 -0.13 4.82 0.04 -1.26 -1.06 135.00 141.52 1xmq s PRO 59 Ca 0.08 0.59 -0.07 0.00 0.04 0.00 0.00 61.00 61.64 1xmq s PRO 59 Cb -0.14 -4.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.07 1xmq s PRO 59 CO 0.06 -2.41 0.13 0.08 0.04 0.00 0.00 177.00 174.90 1xmq s VAL 60 N 7.88 5.46 -0.70 -0.36 1.01 -0.99 -4.97 120.40 127.73 1xmq s VAL 60 Ca 0.62 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 1xmq s VAL 60 Cb -0.13 -3.39 0.18 0.00 0.00 0.00 0.00 36.38 33.04 1xmq s VAL 60 CO 0.22 0.60 0.52 -0.47 0.00 0.00 0.00 175.10 175.98 1xmq s TYR 61 N -0.88 3.53 0.46 5.22 5.04 -1.26 -2.16 117.35 127.29 1xmq s TYR 61 Ca 0.14 -2.89 -0.22 0.00 -2.44 0.00 0.00 57.07 51.66 1xmq s TYR 61 Cb -0.12 -3.14 -0.10 0.00 0.35 0.00 0.00 41.96 38.95 1xmq s TYR 61 CO 0.03 -0.78 0.84 1.51 -1.34 0.00 0.00 175.55 175.81 1xmq n ILE 62 N 3.00 2.43 -4.04 3.14 0.13 -1.23 -4.99 119.36 117.81 1xmq n ILE 62 Ca 0.12 -0.50 -0.08 0.00 -1.10 0.00 0.00 62.75 61.19 1xmq n ILE 62 Cb 0.37 -0.95 -0.09 0.00 -0.84 0.00 0.00 39.64 38.13 1xmq n ILE 62 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 1xmq s THR 63 N -1.40 0.15 -0.19 9.51 2.01 -1.26 -3.58 115.64 120.88 1xmq s THR 63 Ca 0.66 -1.65 0.22 0.00 0.31 0.00 0.00 61.69 61.23 1xmq s THR 63 Cb -0.54 -1.66 0.23 0.00 0.01 0.00 0.00 72.50 70.54 1xmq s THR 63 CO 0.55 -0.70 1.69 1.21 -0.69 0.00 0.00 174.62 176.68 1xmq n GLU 64 N -0.02 0.15 0.07 4.92 4.07 -1.26 -1.76 120.64 126.81 1xmq n GLU 64 Ca -0.11 0.63 0.12 0.00 -0.06 0.00 0.00 57.16 57.74 1xmq n GLU 64 Cb 0.62 -1.97 0.12 0.00 -0.06 0.00 0.00 31.44 30.15 1xmq n GLU 64 CO 0.00 0.00 0.00 -2.95 -0.06 0.00 0.00 177.13 174.12 1xmq h ASN 65 N 0.00 0.00 -0.26 4.31 -1.07 -2.01 -3.33 115.58 113.21 1xmq h ASN 65 Ca 0.00 -0.16 -0.01 0.00 0.07 0.00 0.00 56.30 56.19 1xmq h ASN 65 Cb 0.02 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.26 1xmq h ASN 65 CO 0.00 0.08 0.00 1.15 0.07 0.00 0.00 177.43 178.73 1xmq n MET 66 N -2.27 2.81 0.20 4.14 0.00 -0.72 -4.73 117.12 116.56 1xmq n MET 66 Ca 0.02 -2.86 0.18 0.00 0.00 0.00 0.00 57.70 55.04 1xmq n MET 66 Cb 0.47 -1.84 0.83 0.00 0.00 0.00 0.00 33.22 32.68 1xmq n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1xmq h VAL 67 N 1.71 0.42 0.00 3.17 2.07 -1.67 -2.66 116.25 119.28 1xmq h VAL 67 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1xmq h VAL 67 Cb 1.46 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1xmq h VAL 67 CO 0.23 0.00 -1.09 0.61 0.02 0.00 0.00 177.57 177.34 1xmq n GLY 68 N -1.39 -1.00 3.64 2.17 0.00 -1.26 -3.41 105.19 103.94 1xmq n GLY 68 Ca 0.02 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 1xmq n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xmq n HIS 69 N -1.57 -3.99 -4.20 1.61 8.25 -1.00 -4.58 115.22 109.74 1xmq n HIS 69 Ca 0.03 -1.11 -0.23 0.00 -0.26 0.00 0.00 57.72 56.15 1xmq n HIS 69 Cb 0.35 -0.97 -0.07 0.00 1.12 0.00 0.00 29.99 30.43 1xmq n HIS 69 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1xmq s LYS 70 N -5.74 2.39 0.12 -0.41 1.02 -1.26 -0.38 119.74 115.47 1xmq s LYS 70 Ca 0.71 -1.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.06 1xmq s LYS 70 Cb -0.02 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1xmq s LYS 70 CO 0.50 0.26 1.73 -0.07 -0.92 0.00 0.00 175.35 176.86 1xmq h LEU 71 N 1.71 -0.00 -2.05 3.17 4.07 -1.65 -2.43 115.31 118.13 1xmq h LEU 71 Ca -0.44 0.03 0.07 0.00 0.08 0.00 0.00 57.88 57.61 1xmq h LEU 71 Cb 1.25 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.02 1xmq h LEU 71 CO 0.62 0.03 0.36 1.23 -1.08 0.00 0.00 178.44 179.59 1xmq h GLY 72 N 0.10 0.00 2.00 0.83 0.00 -1.88 0.17 103.07 104.29 1xmq h GLY 72 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1xmq h GLY 72 CO -0.12 0.00 -0.02 0.83 0.00 0.00 0.00 176.54 177.23 1xmq h GLU 73 N 0.00 0.00 -0.06 4.80 5.08 -1.77 -2.79 114.58 119.84 1xmq h GLU 73 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xmq h GLU 73 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1xmq h GLU 73 CO -0.00 0.02 0.00 1.19 -1.00 0.00 0.00 179.01 179.22 1xmq n PHE 74 N -3.12 0.06 -3.78 4.33 3.01 0.56 -4.71 117.46 113.80 1xmq n PHE 74 Ca 0.01 -0.06 -0.28 0.00 1.01 0.00 0.00 57.45 58.13 1xmq n PHE 74 Cb 0.33 -0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.68 1xmq n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xmq n ALA 75 N 0.69 3.49 -1.68 4.37 0.00 -0.99 -4.99 120.51 121.39 1xmq n ALA 75 Ca 0.08 -4.47 -0.45 0.00 0.00 0.00 0.00 53.44 48.59 1xmq n ALA 75 Cb 0.33 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 1xmq n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xmq n PRO 76 N 1.81 2.42 0.00 0.00 -0.04 -1.26 -4.82 135.00 133.11 1xmq n PRO 76 Ca 0.22 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.56 1xmq n PRO 76 Cb 0.37 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1xmq n PRO 76 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1xmq n THR 77 N 4.36 0.00 -1.49 0.52 -1.04 -1.26 -4.91 114.28 110.45 1xmq n THR 77 Ca 0.19 0.84 -0.32 0.00 -2.04 0.00 0.00 64.05 62.71 1xmq n THR 77 Cb 0.32 -1.68 0.07 0.00 -1.82 0.00 0.00 70.33 67.22 1xmq n THR 77 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1xmq s ARG 78 N -1.53 2.43 -0.40 -2.82 0.52 -1.26 -5.02 118.95 110.87 1xmq s ARG 78 Ca 0.00 1.38 0.02 0.00 -0.52 0.00 0.00 55.73 56.62 1xmq s ARG 78 Cb 0.00 -1.90 0.11 0.00 0.52 0.00 0.00 34.95 33.68 1xmq s ARG 78 CO 0.00 -1.54 0.14 0.99 0.02 0.00 0.00 175.30 174.91 1xmq s THR 79 N -2.48 2.60 0.07 0.02 2.01 -1.26 -5.10 115.64 111.50 1xmq s THR 79 Ca 0.66 -2.51 0.04 0.00 0.31 0.00 0.00 61.69 60.19 1xmq s THR 79 Cb -0.21 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1xmq s THR 79 CO 0.47 -0.67 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.25 1xmq s TYR 80 N 0.67 2.98 0.00 4.92 5.04 -1.26 -5.33 117.35 124.37 1xmq s TYR 80 Ca 0.12 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 1xmq s TYR 80 Cb -0.21 -1.55 0.00 0.00 0.35 0.00 0.00 41.96 40.55 1xmq s TYR 80 CO -0.06 0.47 0.00 -2.13 -1.34 0.00 0.00 175.55 172.49