#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkq h HIS 3 N 0.00 0.76 -0.64 3.10 3.86 -2.05 -1.77 115.15 118.41 1wkq h HIS 3 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1wkq h HIS 3 Cb 0.00 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.19 1wkq h HIS 3 CO 0.00 0.51 0.39 1.49 0.86 0.00 0.00 177.93 181.18 1wkq h GLU 4 N 0.78 0.86 -0.56 2.45 4.81 -2.05 -1.43 114.58 119.45 1wkq h GLU 4 Ca 0.21 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1wkq h GLU 4 Cb -0.04 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.11 1wkq h GLU 4 CO -0.04 0.60 0.28 1.15 -0.73 0.00 0.00 179.01 180.27 1wkq h THR 5 N 0.86 0.93 -0.18 0.32 2.02 -1.90 0.11 112.91 115.07 1wkq h THR 5 Ca 0.23 -0.18 -0.18 0.00 0.77 0.00 0.00 66.41 67.06 1wkq h THR 5 Cb -0.04 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1wkq h THR 5 CO -0.04 0.10 -0.60 -0.26 0.37 0.00 0.00 175.52 175.08 1wkq h PHE 6 N 0.52 0.78 -0.42 3.16 0.04 -1.02 -2.11 116.94 117.90 1wkq h PHE 6 Ca 0.25 -0.30 -0.12 0.00 2.80 0.00 0.00 57.97 60.61 1wkq h PHE 6 Cb 0.19 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1wkq h PHE 6 CO -0.11 1.06 -0.22 1.25 -0.60 0.00 0.00 178.31 179.70 1wkq h LEU 7 N 0.46 0.86 -1.08 1.54 5.85 -0.96 -1.61 115.31 120.38 1wkq h LEU 7 Ca -0.00 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 1wkq h LEU 7 Cb 1.17 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1wkq h LEU 7 CO 0.12 1.05 0.21 0.11 -0.34 0.00 0.00 178.44 179.58 1wkq h LYS 8 N 0.74 0.87 -0.70 1.25 1.57 -0.66 -1.24 116.57 118.40 1wkq h LYS 8 Ca 0.10 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1wkq h LYS 8 Cb 0.75 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1wkq h LYS 8 CO 0.06 0.73 0.27 -0.09 -0.57 0.00 0.00 179.45 179.85 1wkq h ARG 9 N 0.85 1.05 -0.76 3.15 9.65 -0.98 -1.16 114.38 126.17 1wkq h ARG 9 Ca 0.20 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1wkq h ARG 9 Cb 0.21 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.58 1wkq h ARG 9 CO -0.01 0.87 0.43 0.00 2.80 0.00 0.00 179.97 184.06 1wkq h ALA 10 N 1.12 0.98 -0.59 2.80 0.00 -0.53 -0.65 119.26 122.39 1wkq h ALA 10 Ca 0.23 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1wkq h ALA 10 Cb 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1wkq h ALA 10 CO -0.02 0.48 0.11 0.28 0.00 0.00 0.00 179.25 180.10 1wkq h VAL 11 N 1.05 1.26 -0.57 0.00 2.07 -1.04 -1.49 116.25 117.53 1wkq h VAL 11 Ca 0.27 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1wkq h VAL 11 Cb 0.02 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1wkq h VAL 11 CO -0.05 0.35 0.37 0.74 0.02 0.00 0.00 177.57 179.01 1wkq h THR 12 N 0.87 1.12 -0.92 2.57 2.02 -0.83 -1.64 112.91 116.11 1wkq h THR 12 Ca 0.18 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1wkq h THR 12 Cb 0.40 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 1wkq h THR 12 CO 0.01 0.13 0.58 -0.07 0.37 0.00 0.00 175.52 176.55 1wkq h LEU 13 N 0.74 1.08 -0.34 2.58 3.38 -0.92 0.08 115.31 121.91 1wkq h LEU 13 Ca 0.21 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1wkq h LEU 13 Cb -0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1wkq h LEU 13 CO -0.06 0.80 0.19 0.00 0.09 0.00 0.00 178.44 179.46 1wkq h ALA 14 N 1.39 0.44 -0.51 1.53 0.00 -0.61 0.49 119.26 121.98 1wkq h ALA 14 Ca 0.33 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1wkq h ALA 14 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1wkq h ALA 14 CO -0.07 -0.04 0.06 0.00 0.00 0.00 0.00 179.25 179.21 1wkq h GLU 16 N 0.72 0.70 -0.48 0.00 5.08 -0.81 -1.07 114.58 118.73 1wkq h GLU 16 Ca 0.15 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1wkq h GLU 16 Cb 0.43 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1wkq h GLU 16 CO 0.01 0.72 0.28 0.78 -1.00 0.00 0.00 179.01 179.80 1wkq h GLY 17 N 0.94 0.70 0.86 -3.84 0.00 -0.78 -0.80 103.07 100.15 1wkq h GLY 17 Ca 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1wkq h GLY 17 CO 0.02 0.29 -0.05 -2.08 0.00 0.00 0.00 176.54 174.71 1wkq h VAL 18 N 0.64 0.98 0.00 4.60 2.07 -1.21 -0.24 116.25 123.09 1wkq h VAL 18 Ca 0.17 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1wkq h VAL 18 Cb 0.01 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1wkq h VAL 18 CO -0.03 0.08 0.00 0.78 0.02 0.00 0.00 177.57 178.42 1wkq h ASN 19 N -0.28 0.00 0.03 0.57 2.35 -1.02 -1.12 115.58 116.11 1wkq h ASN 19 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1wkq h ASN 19 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1wkq h ASN 19 CO 0.02 0.00 -0.11 0.00 -1.65 0.00 0.00 177.43 175.70 1wkq n ALA 20 N -1.97 2.76 -1.08 -0.83 0.00 -0.32 -4.96 120.51 114.11 1wkq n ALA 20 Ca 0.02 -0.52 -0.03 0.00 0.00 0.00 0.00 53.44 52.91 1wkq n ALA 20 Cb 0.30 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1wkq n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wkq n GLY 21 N 1.28 0.59 0.21 0.00 0.00 -0.42 -4.93 105.19 101.92 1wkq n GLY 21 Ca 0.15 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 1wkq n GLY 21 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wkq h ILE 22 N 0.00 1.31 0.00 -0.61 2.04 -1.26 -3.47 117.51 115.52 1wkq h ILE 22 Ca -0.06 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.10 1wkq h ILE 22 Cb 0.26 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1wkq h ILE 22 CO 0.08 0.54 0.00 0.61 0.00 0.00 0.00 178.15 179.38 1wkq n GLY 23 N 0.45 -0.76 3.78 5.37 0.00 -1.05 -4.19 105.19 108.78 1wkq n GLY 23 Ca -0.06 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1wkq n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wkq s GLY 24 N 0.00 1.59 -0.96 -0.02 0.00 -1.24 -3.69 107.32 103.00 1wkq s GLY 24 Ca 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 44.72 44.04 1wkq s GLY 24 CO 0.00 0.00 2.89 -1.55 0.00 0.00 0.00 173.10 174.44 1wkq n PRO 25 N -3.87 2.76 -3.80 2.90 -0.04 -1.26 -4.31 135.00 127.37 1wkq n PRO 25 Ca 0.08 -1.63 -0.13 0.00 -0.04 0.00 0.00 63.50 61.78 1wkq n PRO 25 Cb 0.59 -2.45 -0.13 0.00 -0.04 0.00 0.00 33.50 31.47 1wkq n PRO 25 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1wkq s PHE 26 N 2.11 -0.16 0.03 0.54 0.40 -1.26 -4.88 117.98 114.76 1wkq s PHE 26 Ca 0.60 0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 57.32 1wkq s PHE 26 Cb 0.20 0.02 -0.02 0.00 0.51 0.00 0.00 43.02 43.73 1wkq s PHE 26 CO -0.04 -0.10 0.02 0.20 0.70 0.00 0.00 175.22 176.01 1wkq s GLY 27 N 0.35 0.26 0.01 4.36 0.00 -1.25 -1.78 107.32 109.28 1wkq s GLY 27 Ca -0.02 -0.71 -0.13 0.00 0.00 0.00 0.00 44.72 43.85 1wkq s GLY 27 CO -0.01 -0.82 0.28 0.00 0.00 0.00 0.00 173.10 172.54 1wkq s ALA 28 N -2.52 -0.65 -0.01 3.20 0.00 0.03 -0.82 121.76 120.99 1wkq s ALA 28 Ca -0.06 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1wkq s ALA 28 Cb -0.02 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1wkq s ALA 28 CO -0.05 -0.32 -0.03 0.08 0.00 0.00 0.00 175.76 175.45 1wkq s VAL 29 N -1.90 0.28 -0.13 0.00 1.01 0.27 -0.75 120.40 119.18 1wkq s VAL 29 Ca -0.10 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1wkq s VAL 29 Cb -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 36.38 36.07 1wkq s VAL 29 CO 0.00 0.10 -0.17 -0.63 0.00 0.00 0.00 175.10 174.41 1wkq s ILE 30 N 0.20 2.60 -0.02 2.22 1.01 -0.19 -0.40 121.20 126.62 1wkq s ILE 30 Ca -0.02 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.90 1wkq s ILE 30 Cb -0.05 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1wkq s ILE 30 CO -0.00 0.53 -0.25 -0.69 0.00 0.00 0.00 174.94 174.53 1wkq s VAL 31 N 0.54 2.14 -0.05 2.92 1.01 -0.21 -0.67 120.40 126.09 1wkq s VAL 31 Ca -0.11 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 1wkq s VAL 31 Cb -0.16 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1wkq s VAL 31 CO 0.04 0.58 0.10 -0.75 0.00 0.00 0.00 175.10 175.07 1wkq s LYS 32 N -0.60 0.05 -1.48 2.72 2.20 -0.34 -0.76 119.74 121.53 1wkq s LYS 32 Ca 0.09 0.28 -0.12 0.00 -0.36 0.00 0.00 55.97 55.87 1wkq s LYS 32 Cb -0.10 -0.18 0.07 0.00 -1.51 0.00 0.00 37.83 36.11 1wkq s LYS 32 CO -0.01 -0.15 0.88 -0.25 -0.36 0.00 0.00 175.35 175.46 1wkq n ASP 33 N 4.06 -4.95 0.00 1.43 8.00 -1.26 -1.39 116.55 122.43 1wkq n ASP 33 Ca -0.25 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1wkq n ASP 33 Cb 0.52 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 1wkq n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wkq n GLY 34 N -1.61 0.60 3.30 0.44 0.00 -1.26 -5.01 105.19 101.65 1wkq n GLY 34 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1wkq n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkq s ALA 35 N -2.59 2.16 -0.11 4.61 0.00 -0.49 -5.09 121.76 120.25 1wkq s ALA 35 Ca 0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 1wkq s ALA 35 Cb 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1wkq s ALA 35 CO 0.00 0.51 1.29 0.42 0.00 0.00 0.00 175.76 177.98 1wkq s ILE 36 N -0.52 4.16 -0.13 0.00 1.01 -1.26 -1.20 121.20 123.26 1wkq s ILE 36 Ca 0.07 1.44 0.18 0.00 0.00 0.00 0.00 60.65 62.35 1wkq s ILE 36 Cb -0.11 -3.93 -0.23 0.00 0.01 0.00 0.00 42.46 38.21 1wkq s ILE 36 CO -0.00 -0.08 0.46 2.30 0.00 0.00 0.00 174.94 177.61 1wkq n ILE 37 N 5.10 1.10 -3.47 2.92 -5.35 0.16 -4.97 119.36 114.84 1wkq n ILE 37 Ca 0.13 -0.73 -0.15 0.00 -0.27 0.00 0.00 62.75 61.73 1wkq n ILE 37 Cb 0.45 -0.54 -0.04 0.00 -1.74 0.00 0.00 39.64 37.77 1wkq n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wkq s ALA 38 N -2.83 -1.69 0.13 -1.28 0.00 -1.20 -4.75 121.76 110.15 1wkq s ALA 38 Ca -0.07 0.93 0.06 0.00 0.00 0.00 0.00 51.96 52.88 1wkq s ALA 38 Cb 0.09 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 1wkq s ALA 38 CO 0.84 -0.56 -0.15 -1.21 0.00 0.00 0.00 175.76 174.68 1wkq s GLU 39 N -2.42 1.08 0.00 0.00 2.02 -1.26 -1.02 118.70 117.10 1wkq s GLU 39 Ca -0.05 -1.28 -0.06 0.00 0.02 0.00 0.00 54.97 53.60 1wkq s GLU 39 Cb -0.00 -0.98 -0.00 0.00 0.10 0.00 0.00 34.13 33.25 1wkq s GLU 39 CO -0.01 0.19 0.10 0.20 0.02 0.00 0.00 175.26 175.76 1wkq s GLY 40 N -2.53 0.08 0.06 -1.39 0.00 0.07 -4.39 107.32 99.22 1wkq s GLY 40 Ca 0.11 -0.21 0.06 0.00 0.00 0.00 0.00 44.72 44.68 1wkq s GLY 40 CO 0.04 -0.33 -0.18 1.20 0.00 0.00 0.00 173.10 173.83 1wkq s GLN 41 N -1.35 1.06 0.23 2.90 -0.21 -1.26 -0.79 119.66 120.25 1wkq s GLN 41 Ca -0.14 -0.96 -0.32 0.00 0.02 0.00 0.00 55.36 53.96 1wkq s GLN 41 Cb -0.08 -1.17 -0.12 0.00 1.00 0.00 0.00 33.01 32.64 1wkq s GLN 41 CO 0.01 0.28 1.64 -1.71 -2.12 0.00 0.00 175.29 173.39 1wkq n ASN 42 N 1.52 3.74 -1.82 5.90 2.85 -0.73 -4.25 115.26 122.47 1wkq n ASN 42 Ca -0.19 1.10 0.02 0.00 -0.11 0.00 0.00 54.58 55.40 1wkq n ASN 42 Cb 0.54 -1.55 0.02 0.00 1.24 0.00 0.00 39.78 40.03 1wkq n ASN 42 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1wkq n ASN 43 N 3.17 0.93 -0.02 1.20 0.23 -0.33 -3.26 115.26 117.19 1wkq n ASN 43 Ca 0.13 -2.01 -0.09 0.00 -0.53 0.00 0.00 54.58 52.09 1wkq n ASN 43 Cb 0.34 -0.28 -0.03 0.00 -2.08 0.00 0.00 39.78 37.74 1wkq n ASN 43 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1wkq h VAL 44 N 6.44 0.56 0.00 3.53 2.07 -1.73 -1.63 116.25 125.49 1wkq h VAL 44 Ca -0.24 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1wkq h VAL 44 Cb 1.70 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1wkq h VAL 44 CO 0.08 0.00 -0.19 0.71 0.02 0.00 0.00 177.57 178.19 1wkq h THR 45 N -0.19 0.20 0.00 2.57 1.35 -1.85 -1.53 112.91 113.47 1wkq h THR 45 Ca 0.11 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1wkq h THR 45 Cb 0.35 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1wkq h THR 45 CO -0.28 0.12 -0.66 0.35 -0.25 0.00 0.00 175.52 174.80 1wkq n THR 46 N -3.10 0.31 0.31 6.82 -2.24 -1.13 -3.95 114.28 111.30 1wkq n THR 46 Ca 0.03 -0.25 0.05 0.00 -2.27 0.00 0.00 64.05 61.61 1wkq n THR 46 Cb 0.58 -0.07 0.05 0.00 -2.10 0.00 0.00 70.33 68.80 1wkq n THR 46 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wkq n SER 47 N -2.05 1.93 -3.74 3.42 3.41 -0.63 -4.99 113.62 110.98 1wkq n SER 47 Ca 0.03 -1.48 -0.24 0.00 -0.26 0.00 0.00 58.87 56.92 1wkq n SER 47 Cb 0.43 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.37 1wkq n SER 47 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1wkq n ASN 48 N 0.50 -2.02 -3.38 4.04 5.03 -0.65 -4.97 115.26 113.82 1wkq n ASN 48 Ca 0.06 -0.90 -0.14 0.00 0.87 0.00 0.00 54.58 54.46 1wkq n ASN 48 Cb 0.26 -3.72 -0.09 0.00 -1.02 0.00 0.00 39.78 35.21 1wkq n ASN 48 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1wkq s ASP 49 N -4.14 1.20 0.00 6.41 -1.08 -0.78 -5.00 116.67 113.27 1wkq s ASP 49 Ca 0.12 -0.52 0.12 0.00 -0.52 0.00 0.00 52.55 51.74 1wkq s ASP 49 Cb -0.04 0.70 0.53 0.00 -1.46 0.00 0.00 42.92 42.66 1wkq s ASP 49 CO 0.84 -0.37 1.36 -0.81 0.52 0.00 0.00 175.17 176.71 1wkq n PRO 50 N 5.33 0.05 0.00 4.34 -0.04 -1.26 -1.47 135.00 141.94 1wkq n PRO 50 Ca -0.02 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 1wkq n PRO 50 Cb 0.48 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.78 1wkq n PRO 50 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wkq n THR 51 N -1.44 0.00 -1.24 0.52 -2.24 -1.26 -4.61 114.28 104.01 1wkq n THR 51 Ca 0.04 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.39 1wkq n THR 51 Cb 0.13 0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 68.82 1wkq n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wkq n ALA 52 N -0.36 6.84 -1.39 6.98 0.00 -0.54 -4.71 120.51 127.33 1wkq n ALA 52 Ca 0.13 -2.73 -0.31 0.00 0.00 0.00 0.00 53.44 50.54 1wkq n ALA 52 Cb 0.37 -2.70 0.08 0.00 0.00 0.00 0.00 19.45 17.20 1wkq n ALA 52 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1wkq s HIS 53 N 0.95 2.76 0.19 0.00 3.76 -1.26 -1.19 115.29 120.50 1wkq s HIS 53 Ca 0.66 1.44 -0.12 0.00 -0.15 0.00 0.00 55.06 56.89 1wkq s HIS 53 Cb 0.27 -3.01 0.20 0.00 1.11 0.00 0.00 32.58 31.15 1wkq s HIS 53 CO -0.05 -1.66 1.75 0.00 -0.85 0.00 0.00 174.74 173.93 1wkq h ALA 54 N -1.02 0.68 -0.40 -1.40 0.00 -1.82 -0.12 119.26 115.18 1wkq h ALA 54 Ca -0.45 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1wkq h ALA 54 Cb 1.23 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1wkq h ALA 54 CO 0.54 -0.18 0.02 0.93 0.00 0.00 0.00 179.25 180.56 1wkq h GLU 55 N 0.40 0.69 -0.54 0.00 3.07 -1.89 -0.42 114.58 115.89 1wkq h GLU 55 Ca 0.26 -0.21 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1wkq h GLU 55 Cb 0.28 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1wkq h GLU 55 CO -0.25 0.77 0.26 0.28 -1.40 0.00 0.00 179.01 178.66 1wkq h VAL 56 N 0.53 1.20 -0.56 3.13 2.07 -1.78 -0.28 116.25 120.56 1wkq h VAL 56 Ca 0.12 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1wkq h VAL 56 Cb 0.44 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1wkq h VAL 56 CO 0.02 0.23 0.25 0.74 0.02 0.00 0.00 177.57 178.82 1wkq h THR 57 N 0.72 1.21 -0.70 2.57 2.02 -0.82 -0.19 112.91 117.72 1wkq h THR 57 Ca 0.18 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 1wkq h THR 57 Cb 0.12 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1wkq h THR 57 CO -0.02 0.25 0.16 0.00 0.37 0.00 0.00 175.52 176.28 1wkq h ALA 58 N 1.09 0.93 -0.28 6.16 0.00 -0.81 -1.09 119.26 125.25 1wkq h ALA 58 Ca 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1wkq h ALA 58 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1wkq h ALA 58 CO -0.02 0.66 0.12 0.82 0.00 0.00 0.00 179.25 180.83 1wkq h ILE 59 N 1.07 1.17 -0.55 0.00 2.04 -0.63 0.26 117.51 120.87 1wkq h ILE 59 Ca 0.22 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1wkq h ILE 59 Cb 0.38 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1wkq h ILE 59 CO 0.00 0.18 0.36 0.03 0.00 0.00 0.00 178.15 178.72 1wkq h ARG 60 N 0.31 0.72 -0.40 2.37 3.08 -0.87 -0.86 114.38 118.73 1wkq h ARG 60 Ca 0.09 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 1wkq h ARG 60 Cb 0.17 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1wkq h ARG 60 CO -0.01 0.48 -0.33 0.87 -1.07 0.00 0.00 179.97 179.91 1wkq h LYS 61 N 0.74 0.93 -0.71 0.04 6.56 -1.01 -2.00 116.57 121.13 1wkq h LYS 61 Ca 0.20 -0.46 -0.05 0.00 -1.06 0.00 0.00 60.65 59.28 1wkq h LYS 61 Cb -0.09 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.55 1wkq h LYS 61 CO -0.04 1.12 0.26 0.00 -2.06 0.00 0.00 179.45 178.73 1wkq h ALA 62 N 0.79 0.92 -0.47 3.86 0.00 -0.72 -1.60 119.26 122.03 1wkq h ALA 62 Ca 0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1wkq h ALA 62 Cb 0.92 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1wkq h ALA 62 CO 0.08 0.56 0.07 0.00 0.00 0.00 0.00 179.25 179.96 1wkq h LYS 64 N 0.71 1.06 -0.60 0.00 1.79 -0.94 0.39 116.57 118.97 1wkq h LYS 64 Ca 0.15 -0.37 -0.09 0.00 -2.18 0.00 0.00 60.65 58.17 1wkq h LYS 64 Cb 0.33 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 1wkq h LYS 64 CO 0.01 1.07 0.04 0.28 -1.08 0.00 0.00 179.45 179.77 1wkq h VAL 65 N 0.95 1.26 0.00 0.50 2.07 -0.88 -2.71 116.25 117.44 1wkq h VAL 65 Ca 0.16 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1wkq h VAL 65 Cb 0.63 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1wkq h VAL 65 CO 0.04 0.40 0.00 0.18 0.02 0.00 0.00 177.57 178.21 1wkq n LEU 66 N -4.24 0.22 -3.62 2.57 4.77 -0.31 -4.93 117.00 111.47 1wkq n LEU 66 Ca 0.03 0.52 -0.22 0.00 -0.03 0.00 0.00 56.01 56.31 1wkq n LEU 66 Cb 0.32 -0.45 0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1wkq n LEU 66 CO 0.43 -0.06 0.09 0.61 -1.33 0.00 0.00 177.39 177.13 1wkq n GLY 67 N 1.38 -0.40 3.47 -0.72 0.00 0.06 -4.99 105.19 103.98 1wkq n GLY 67 Ca 0.06 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 1wkq n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkq s ALA 68 N -3.43 0.10 -0.36 4.61 0.00 -0.77 -5.05 121.76 116.86 1wkq s ALA 68 Ca 0.23 -1.06 0.11 0.00 0.00 0.00 0.00 51.96 51.25 1wkq s ALA 68 Cb -0.11 1.11 0.28 0.00 0.00 0.00 0.00 23.12 24.41 1wkq s ALA 68 CO 0.77 -0.77 1.22 2.48 0.00 0.00 0.00 175.76 179.46 1wkq n TYR 69 N -0.33 0.39 -4.13 0.00 4.11 -1.26 -4.55 117.16 111.38 1wkq n TYR 69 Ca -0.02 -0.69 -0.14 0.00 -0.00 0.00 0.00 57.90 57.06 1wkq n TYR 69 Cb 0.63 -0.13 -0.11 0.00 -0.00 0.00 0.00 39.34 39.73 1wkq n TYR 69 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1wkq s GLN 70 N -1.81 0.72 -0.80 -3.48 -1.52 -1.26 -4.74 119.66 106.77 1wkq s GLN 70 Ca 0.24 -1.01 0.01 0.00 -1.95 0.00 0.00 55.36 52.65 1wkq s GLN 70 Cb 0.18 -0.43 0.34 0.00 -0.22 0.00 0.00 33.01 32.88 1wkq s GLN 70 CO 0.08 0.07 1.51 1.28 -0.25 0.00 0.00 175.29 177.97 1wkq n LEU 71 N 0.90 6.22 -4.66 2.90 4.77 0.36 -4.94 117.00 122.55 1wkq n LEU 71 Ca -0.19 -5.39 -0.47 0.00 -0.03 0.00 0.00 56.01 49.93 1wkq n LEU 71 Cb 0.57 -0.89 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 1wkq n LEU 71 CO 0.24 2.12 1.19 0.47 -1.33 0.00 0.00 177.39 180.09 1wkq n ASP 72 N -0.23 2.91 -0.74 -1.43 9.92 -1.26 -1.70 116.55 124.01 1wkq n ASP 72 Ca 0.42 1.07 -0.10 0.00 -0.53 0.00 0.00 54.79 55.66 1wkq n ASP 72 Cb 0.34 -1.38 -0.04 0.00 -0.64 0.00 0.00 41.12 39.40 1wkq n ASP 72 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1wkq n ASP 73 N 3.75 -4.81 -4.94 -2.24 4.64 -1.26 -4.99 116.55 106.70 1wkq n ASP 73 Ca 0.18 0.24 -0.25 0.00 -1.38 0.00 0.00 54.79 53.58 1wkq n ASP 73 Cb 0.27 -3.17 -0.03 0.00 -1.04 0.00 0.00 41.12 37.15 1wkq n ASP 73 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1wkq s ILE 75 N -1.80 1.98 -0.20 0.00 1.01 0.06 -0.16 121.20 122.09 1wkq s ILE 75 Ca 0.34 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 1wkq s ILE 75 Cb -0.10 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1wkq s ILE 75 CO 0.28 0.55 0.08 -0.22 0.00 0.00 0.00 174.94 175.63 1wkq s LEU 76 N -0.07 3.83 -0.18 2.97 2.96 -0.76 -1.05 118.68 126.39 1wkq s LEU 76 Ca -0.06 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1wkq s LEU 76 Cb -0.14 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 1wkq s LEU 76 CO 0.04 0.14 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.83 1wkq s TYR 77 N 0.58 2.92 0.00 5.38 2.02 0.47 -0.83 117.35 127.89 1wkq s TYR 77 Ca 0.04 -0.72 0.04 0.00 -0.37 0.00 0.00 57.07 56.05 1wkq s TYR 77 Cb -0.13 -1.98 -0.01 0.00 -0.40 0.00 0.00 41.96 39.44 1wkq s TYR 77 CO 0.01 -0.34 -0.12 -0.08 -1.57 0.00 0.00 175.55 173.46 1wkq s THR 78 N 0.87 0.92 0.42 -0.71 -1.32 0.10 -0.57 115.64 115.35 1wkq s THR 78 Ca -0.02 -0.62 0.27 0.00 -1.21 0.00 0.00 61.69 60.11 1wkq s THR 78 Cb -0.15 -0.79 0.29 0.00 -1.51 0.00 0.00 72.50 70.34 1wkq s THR 78 CO 0.01 0.17 2.08 0.77 -2.21 0.00 0.00 174.62 175.43 1wkq h SER 79 N 5.60 0.00 -4.74 8.08 4.64 -1.22 -2.83 113.55 123.07 1wkq h SER 79 Ca -0.34 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.79 1wkq h SER 79 Cb 1.17 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.04 1wkq h SER 79 CO 0.48 0.11 -0.71 0.00 -0.87 0.00 0.00 176.83 175.85 1wkq n GLU 81 N 1.86 0.63 -1.82 0.00 2.13 0.62 -4.81 120.64 119.24 1wkq n GLU 81 Ca -0.22 0.22 -0.41 0.00 0.66 0.00 0.00 57.16 57.42 1wkq n GLU 81 Cb 0.56 -1.72 -0.00 0.00 0.27 0.00 0.00 31.44 30.54 1wkq n GLU 81 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1wkq s PRO 82 N -0.02 4.13 1.14 5.31 0.02 -1.26 -4.62 135.00 139.70 1wkq s PRO 82 Ca 0.82 2.55 -0.18 0.00 0.02 0.00 0.00 61.00 64.21 1wkq s PRO 82 Cb -1.05 -2.98 0.26 0.00 0.02 0.00 0.00 34.50 30.76 1wkq s PRO 82 CO 0.53 -0.52 1.15 0.00 -0.33 0.00 0.00 177.00 177.83 1wkq h PRO 84 N -2.35 0.98 -0.19 0.00 0.11 -1.95 0.20 132.00 128.81 1wkq h PRO 84 Ca -0.45 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1wkq h PRO 84 Cb 1.29 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1wkq h PRO 84 CO 0.37 0.67 0.11 1.98 -0.21 0.00 0.00 178.00 180.91 1wkq h MET 85 N 1.01 0.25 -0.11 1.05 1.85 -1.99 -1.42 114.93 115.58 1wkq h MET 85 Ca 0.27 -0.03 -0.16 0.00 -0.61 0.00 0.00 59.70 59.17 1wkq h MET 85 Cb -0.08 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 31.89 1wkq h MET 85 CO -0.05 0.23 -0.62 0.00 -0.40 0.00 0.00 176.91 176.06 1wkq h LEU 87 N 0.28 0.66 -0.29 0.00 6.46 -0.56 -0.05 115.31 121.80 1wkq h LEU 87 Ca -0.01 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1wkq h LEU 87 Cb 1.16 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 1wkq h LEU 87 CO 0.11 0.54 0.19 1.23 -0.62 0.00 0.00 178.44 179.89 1wkq h GLY 88 N 0.71 0.40 0.77 3.75 0.00 -0.95 -1.54 103.07 106.21 1wkq h GLY 88 Ca 0.19 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.43 1wkq h GLY 88 CO -0.03 0.14 0.62 0.00 0.00 0.00 0.00 176.54 177.27 1wkq h ALA 89 N 1.11 1.31 -0.58 3.60 0.00 -0.67 -0.70 119.26 123.33 1wkq h ALA 89 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wkq h ALA 89 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1wkq h ALA 89 CO -0.03 0.42 0.36 0.82 0.00 0.00 0.00 179.25 180.83 1wkq h ILE 90 N 1.14 1.17 0.00 0.00 2.04 -0.65 0.22 117.51 121.43 1wkq h ILE 90 Ca 0.41 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 1wkq h ILE 90 Cb 0.12 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1wkq h ILE 90 CO -0.16 0.17 -0.25 1.88 0.00 0.00 0.00 178.15 179.79 1wkq h TYR 91 N 0.79 0.00 0.00 1.37 0.05 -0.28 0.79 116.97 119.68 1wkq h TYR 91 Ca 0.21 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.80 1wkq h TYR 91 Cb -0.04 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1wkq h TYR 91 CO -0.02 0.25 -1.00 -1.49 -1.05 0.00 0.00 178.16 174.85 1wkq h TRP 92 N 0.00 0.00 0.00 4.88 4.06 -0.69 -3.34 115.95 120.86 1wkq h TRP 92 Ca -0.00 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.73 1wkq h TRP 92 Cb 0.60 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.73 1wkq h TRP 92 CO 0.00 0.86 -1.21 0.00 -3.56 0.00 0.00 178.44 174.53 1wkq h ALA 93 N 1.14 0.54 -5.28 1.49 0.00 -0.58 -3.47 119.26 113.10 1wkq h ALA 93 Ca -0.05 -1.04 -0.30 0.00 0.00 0.00 0.00 54.91 53.53 1wkq h ALA 93 Cb 1.70 0.09 0.15 0.00 0.00 0.00 0.00 17.79 19.73 1wkq h ALA 93 CO 0.10 1.27 -0.70 0.54 0.00 0.00 0.00 179.25 180.47 1wkq n ARG 94 N -3.20 -5.86 -1.26 0.00 1.74 0.24 -0.49 116.66 107.82 1wkq n ARG 94 Ca -0.06 0.77 -0.29 0.00 -0.77 0.00 0.00 57.85 57.50 1wkq n ARG 94 Cb 0.95 -5.53 0.19 0.00 -1.02 0.00 0.00 32.46 27.04 1wkq n ARG 94 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wkq s PRO 95 N -5.20 0.14 0.29 5.56 0.04 -1.26 -4.28 135.00 130.30 1wkq s PRO 95 Ca 0.01 0.27 0.20 0.00 0.04 0.00 0.00 61.00 61.53 1wkq s PRO 95 Cb -0.00 -1.73 0.12 0.00 0.04 0.00 0.00 34.50 32.93 1wkq s PRO 95 CO 0.66 -2.87 1.31 1.57 0.04 0.00 0.00 177.00 177.70 1wkq h LYS 96 N -1.98 0.00 -2.66 4.56 2.10 -0.76 -3.48 116.57 114.36 1wkq h LYS 96 Ca -0.51 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.19 1wkq h LYS 96 Cb 1.32 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.52 1wkq h LYS 96 CO 0.52 0.14 0.35 0.00 -2.00 0.00 0.00 179.45 178.46 1wkq s ALA 97 N -3.17 -1.68 -0.03 0.07 0.00 -1.25 -5.07 121.76 110.63 1wkq s ALA 97 Ca 0.03 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1wkq s ALA 97 Cb 0.07 0.67 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 1wkq s ALA 97 CO 0.74 -0.76 -0.12 0.08 0.00 0.00 0.00 175.76 175.70 1wkq s VAL 98 N -3.46 1.03 -0.03 0.00 1.01 -1.26 -1.83 120.40 115.86 1wkq s VAL 98 Ca 0.04 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.57 1wkq s VAL 98 Cb -0.01 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1wkq s VAL 98 CO -0.10 0.31 -0.23 -0.36 0.00 0.00 0.00 175.10 174.72 1wkq s PHE 99 N 0.06 2.12 0.04 5.22 0.40 -0.01 -4.99 117.98 120.82 1wkq s PHE 99 Ca -0.02 -0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 55.79 1wkq s PHE 99 Cb -0.09 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.03 1wkq s PHE 99 CO 0.01 -0.10 0.03 1.52 0.70 0.00 0.00 175.22 177.37 1wkq s TYR 100 N -0.36 0.35 0.00 0.36 1.13 -1.26 -0.72 117.35 116.84 1wkq s TYR 100 Ca 0.04 -0.77 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 1wkq s TYR 100 Cb -0.11 -0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.50 1wkq s TYR 100 CO 0.01 -0.36 0.00 0.00 -2.51 0.00 0.00 175.55 172.69 1wkq n ALA 101 N 0.54 0.04 -1.40 9.51 0.00 -1.07 -4.93 120.51 123.20 1wkq n ALA 101 Ca -0.17 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 52.89 1wkq n ALA 101 Cb 0.59 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.16 1wkq n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wkq s ALA 102 N -4.33 1.93 0.34 0.00 0.00 -0.49 -4.84 121.76 114.37 1wkq s ALA 102 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 51.88 1wkq s ALA 102 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1wkq s ALA 102 CO 0.00 -2.02 0.17 -1.21 0.00 0.00 0.00 175.76 172.70 1wkq s GLU 103 N -5.07 2.41 0.49 0.00 2.02 -1.26 -0.28 118.70 117.01 1wkq s GLU 103 Ca 0.62 -1.53 0.21 0.00 0.02 0.00 0.00 54.97 54.29 1wkq s GLU 103 Cb -0.16 -2.21 1.25 0.00 0.10 0.00 0.00 34.13 33.11 1wkq s GLU 103 CO 0.55 0.09 1.97 1.12 0.02 0.00 0.00 175.26 179.01 1wkq h HIS 104 N 1.49 0.20 -0.06 1.61 2.07 -1.93 0.14 115.15 118.67 1wkq h HIS 104 Ca -0.44 0.01 -0.07 0.00 -2.85 0.00 0.00 60.37 57.02 1wkq h HIS 104 Cb 1.25 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 31.16 1wkq h HIS 104 CO 0.61 0.08 -0.27 1.79 -3.07 0.00 0.00 177.93 177.08 1wkq h THR 105 N 0.18 1.22 -0.48 6.12 1.35 -1.98 -0.36 112.91 118.97 1wkq h THR 105 Ca 0.30 -1.04 -0.12 0.00 -0.55 0.00 0.00 66.41 64.99 1wkq h THR 105 Cb 0.92 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1wkq h THR 105 CO -0.05 0.31 -0.19 0.44 -0.25 0.00 0.00 175.52 175.77 1wkq h ASP 106 N 0.10 0.97 -0.44 5.36 3.32 -1.12 0.33 116.42 124.94 1wkq h ASP 106 Ca 0.02 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.66 1wkq h ASP 106 Cb 0.53 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1wkq h ASP 106 CO 0.04 1.13 0.05 0.00 -1.72 0.00 0.00 179.24 178.73 1wkq h ALA 107 N 0.94 0.59 -0.87 3.45 0.00 -1.20 -2.29 119.26 119.89 1wkq h ALA 107 Ca 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1wkq h ALA 107 Cb 0.75 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1wkq h ALA 107 CO 0.06 0.34 0.51 0.00 0.00 0.00 0.00 179.25 180.16 1wkq h ALA 108 N 0.93 1.11 0.00 0.00 0.00 -0.89 -1.88 119.26 118.53 1wkq h ALA 108 Ca 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wkq h ALA 108 Cb 0.42 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wkq h ALA 108 CO 0.01 0.58 -0.13 0.93 0.00 0.00 0.00 179.25 180.65 1wkq h GLU 109 N 1.20 0.00 -0.07 0.00 5.08 -0.71 -0.61 114.58 119.47 1wkq h GLU 109 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1wkq h GLU 109 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1wkq h GLU 109 CO -0.06 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 1wkq n ALA 110 N -2.26 2.57 0.00 3.43 0.00 -0.77 -4.91 120.51 118.57 1wkq n ALA 110 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1wkq n ALA 110 Cb 0.26 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1wkq n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wkq n GLY 111 N 1.01 0.78 3.92 0.00 0.00 -0.24 -5.08 105.19 105.58 1wkq n GLY 111 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1wkq n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wkq s PHE 112 N -2.00 3.50 -1.98 1.61 0.08 -0.80 -5.00 117.98 113.38 1wkq s PHE 112 Ca 0.00 0.55 0.01 0.00 0.12 0.00 0.00 56.93 57.61 1wkq s PHE 112 Cb 0.00 -2.05 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 1wkq s PHE 112 CO 0.00 0.09 1.02 -0.25 -0.10 0.00 0.00 175.22 175.98 1wkq n ASP 113 N -1.44 0.19 -0.09 1.36 8.00 -1.26 -4.04 116.55 119.27 1wkq n ASP 113 Ca -0.03 -2.00 -0.08 0.00 0.71 0.00 0.00 54.79 53.40 1wkq n ASP 113 Cb 0.55 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.60 1wkq n ASP 113 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1wkq h ASP 114 N 0.19 -0.98 -0.52 -2.24 5.19 -1.89 -0.53 116.42 115.64 1wkq h ASP 114 Ca 0.00 0.17 -0.07 0.00 -0.62 0.00 0.00 57.03 56.51 1wkq h ASP 114 Cb 0.05 0.46 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 1wkq h ASP 114 CO 0.00 -0.31 0.05 0.28 -3.12 0.00 0.00 179.24 176.14 1wkq h SER 115 N -0.26 0.85 -0.53 6.45 0.02 -1.78 -2.88 113.55 115.42 1wkq h SER 115 Ca 0.16 -0.28 0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1wkq h SER 115 Cb 0.52 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 1wkq h SER 115 CO -0.49 0.92 0.23 0.15 -1.14 0.00 0.00 176.83 176.50 1wkq h PHE 116 N 0.76 0.42 -0.72 3.45 3.57 -1.70 -1.67 116.94 121.05 1wkq h PHE 116 Ca 0.15 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1wkq h PHE 116 Cb 0.46 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1wkq h PHE 116 CO 0.03 0.17 0.30 0.82 -2.23 0.00 0.00 178.31 177.40 1wkq h ILE 117 N 0.44 1.25 -0.88 1.41 2.04 -1.02 0.48 117.51 121.23 1wkq h ILE 117 Ca 0.25 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.42 1wkq h ILE 117 Cb 0.23 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1wkq h ILE 117 CO -0.22 0.30 0.55 1.88 0.00 0.00 0.00 178.15 180.67 1wkq h TYR 118 N 1.02 1.03 -0.18 1.37 0.05 -1.24 -1.85 116.97 117.18 1wkq h TYR 118 Ca 0.24 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.91 1wkq h TYR 118 Cb 0.19 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1wkq h TYR 118 CO 0.01 0.54 -0.47 0.87 -1.05 0.00 0.00 178.16 178.06 1wkq h LYS 119 N 1.02 0.45 0.00 4.88 1.57 -0.63 -2.95 116.57 120.92 1wkq h LYS 119 Ca 0.38 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1wkq h LYS 119 Cb 0.14 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1wkq h LYS 119 CO -0.16 0.83 -0.17 0.93 -0.57 0.00 0.00 179.45 180.30 1wkq h GLU 120 N 0.37 0.00 -0.92 3.15 4.39 -0.11 -2.15 114.58 119.30 1wkq h GLU 120 Ca 0.02 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.75 1wkq h GLU 120 Cb 0.96 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.56 1wkq h GLU 120 CO 0.08 0.17 0.60 0.82 -1.16 0.00 0.00 179.01 179.53 1wkq h ILE 121 N 0.00 1.18 0.00 3.13 2.04 -1.25 -2.03 117.51 120.57 1wkq h ILE 121 Ca -0.00 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1wkq h ILE 121 Cb 0.31 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1wkq h ILE 121 CO 0.02 0.21 0.00 0.47 0.00 0.00 0.00 178.15 178.86 1wkq n ASP 122 N -4.43 0.18 -4.81 1.72 8.00 -0.81 -4.82 116.55 111.58 1wkq n ASP 122 Ca 0.12 0.52 -0.33 0.00 0.71 0.00 0.00 54.79 55.81 1wkq n ASP 122 Cb 0.08 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.58 1wkq n ASP 122 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wkq s LYS 123 N -3.03 3.77 0.43 -1.24 1.02 -0.77 -4.99 119.74 114.94 1wkq s LYS 123 Ca 0.12 1.23 -0.26 0.00 0.02 0.00 0.00 55.97 57.08 1wkq s LYS 123 Cb 0.16 -2.10 -0.09 0.00 -0.52 0.00 0.00 37.83 35.28 1wkq s LYS 123 CO 0.51 -0.44 1.44 -2.14 -0.92 0.00 0.00 175.35 173.80 1wkq s PRO 124 N -3.54 3.81 0.25 -1.68 0.02 -1.26 -4.83 135.00 127.76 1wkq s PRO 124 Ca 0.64 2.44 -0.11 0.00 0.02 0.00 0.00 61.00 64.00 1wkq s PRO 124 Cb -0.14 -2.74 0.35 0.00 0.02 0.00 0.00 34.50 31.98 1wkq s PRO 124 CO 0.24 -0.73 1.59 0.00 -0.33 0.00 0.00 177.00 177.78 1wkq h ALA 125 N 2.52 0.54 0.00 -1.55 0.00 -1.92 -1.15 119.26 117.70 1wkq h ALA 125 Ca -0.51 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1wkq h ALA 125 Cb 1.26 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1wkq h ALA 125 CO 0.62 -0.40 0.00 0.39 0.00 0.00 0.00 179.25 179.86 1wkq n GLU 126 N -5.53 0.11 0.00 0.00 1.02 -1.23 -1.49 120.64 113.51 1wkq n GLU 126 Ca 0.12 0.13 0.13 0.00 -0.02 0.00 0.00 57.16 57.52 1wkq n GLU 126 Cb 0.42 -1.64 0.26 0.00 -0.02 0.00 0.00 31.44 30.45 1wkq n GLU 126 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wkq n GLU 127 N -1.84 1.57 -2.00 3.49 1.02 -0.45 -4.74 120.64 117.68 1wkq n GLU 127 Ca 0.06 -1.14 -0.37 0.00 -0.02 0.00 0.00 57.16 55.69 1wkq n GLU 127 Cb 0.35 -1.48 0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1wkq n GLU 127 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wkq s ARG 128 N -2.22 3.15 0.35 3.49 0.52 -1.10 -4.90 118.95 118.24 1wkq s ARG 128 Ca 0.28 1.92 0.09 0.00 -0.52 0.00 0.00 55.73 57.50 1wkq s ARG 128 Cb 0.20 -2.10 0.81 0.00 0.52 0.00 0.00 34.95 34.38 1wkq s ARG 128 CO 0.42 -1.09 1.85 1.15 0.02 0.00 0.00 175.30 177.65 1wkq h THR 129 N 1.20 0.81 -3.37 0.02 2.02 -1.92 -2.88 112.91 108.79 1wkq h THR 129 Ca -0.50 -0.24 -0.72 0.00 0.77 0.00 0.00 66.41 65.71 1wkq h THR 129 Cb 1.29 0.04 -0.29 0.00 -1.74 0.00 0.00 68.15 67.45 1wkq h THR 129 CO 0.57 0.13 -0.43 -0.63 0.37 0.00 0.00 175.52 175.52 1wkq s ILE 130 N -5.70 4.17 0.38 3.11 1.01 -1.26 -5.07 121.20 117.83 1wkq s ILE 130 Ca -0.10 -1.64 -0.27 0.00 0.00 0.00 0.00 60.65 58.64 1wkq s ILE 130 Cb 0.22 -3.67 -0.09 0.00 0.01 0.00 0.00 42.46 38.93 1wkq s ILE 130 CO 0.79 -0.66 1.30 -2.16 0.00 0.00 0.00 174.94 174.21 1wkq s PRO 131 N 1.38 4.11 -0.25 2.79 0.04 -1.09 -4.99 135.00 136.99 1wkq s PRO 131 Ca 0.05 2.16 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 1wkq s PRO 131 Cb -0.25 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 31.45 1wkq s PRO 131 CO 0.00 -0.38 -0.05 -0.06 0.04 0.00 0.00 177.00 176.56 1wkq s PHE 132 N -1.23 3.07 -0.17 0.56 0.40 -0.56 -4.99 117.98 115.07 1wkq s PHE 132 Ca 0.54 -1.48 -0.03 0.00 -0.60 0.00 0.00 56.93 55.36 1wkq s PHE 132 Cb -0.38 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.05 1wkq s PHE 132 CO 0.50 -0.71 -0.06 0.71 0.70 0.00 0.00 175.22 176.36 1wkq s TYR 133 N 1.35 2.95 -0.03 0.36 2.02 -1.26 -3.56 117.35 119.18 1wkq s TYR 133 Ca 0.01 -0.54 -0.19 0.00 -0.37 0.00 0.00 57.07 55.98 1wkq s TYR 133 Cb -0.17 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.37 1wkq s TYR 133 CO -0.04 -0.21 0.53 -1.14 -1.57 0.00 0.00 175.55 173.12 1wkq s GLN 134 N 0.66 4.25 -0.07 -0.62 -0.44 -1.26 -5.07 119.66 117.12 1wkq s GLN 134 Ca -0.03 0.61 0.03 0.00 -2.50 0.00 0.00 55.36 53.46 1wkq s GLN 134 Cb -0.15 -3.34 0.01 0.00 -1.64 0.00 0.00 33.01 27.89 1wkq s GLN 134 CO 0.02 0.39 -0.15 0.08 0.50 0.00 0.00 175.29 176.13 1wkq s VAL 135 N -0.19 1.35 -0.24 1.34 1.01 -1.26 -5.11 120.40 117.30 1wkq s VAL 135 Ca 0.28 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1wkq s VAL 135 Cb -0.17 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1wkq s VAL 135 CO 0.15 0.40 1.11 -0.89 0.00 0.00 0.00 175.10 175.87 1wkq s THR 136 N 0.47 4.53 -0.10 3.92 2.01 -1.26 -5.02 115.64 120.20 1wkq s THR 136 Ca -0.13 1.84 0.04 0.00 0.31 0.00 0.00 61.69 63.74 1wkq s THR 136 Cb -0.15 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.11 1wkq s THR 136 CO 0.04 -0.24 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.74 1wkq s LEU 137 N 3.41 2.06 0.47 4.42 1.02 -1.26 -5.02 118.68 123.77 1wkq s LEU 137 Ca 0.47 -0.54 0.14 0.00 0.02 0.00 0.00 54.13 54.23 1wkq s LEU 137 Cb -0.16 -1.37 1.11 0.00 0.02 0.00 0.00 46.19 45.80 1wkq s LEU 137 CO 0.10 0.15 2.06 0.71 0.02 0.00 0.00 176.35 179.40 1wkq h THR 138 N 5.71 0.96 -0.59 5.49 1.35 -2.08 -1.70 112.91 122.06 1wkq h THR 138 Ca -0.20 -0.09 -0.16 0.00 -0.55 0.00 0.00 66.41 65.41 1wkq h THR 138 Cb 1.23 0.68 -0.10 0.00 -1.73 0.00 0.00 68.15 68.24 1wkq h THR 138 CO 0.47 0.05 0.20 -0.62 -0.25 0.00 0.00 175.52 175.37 1wkq n GLU 139 N -4.48 3.31 0.30 4.72 1.02 -1.26 -4.58 120.64 119.67 1wkq n GLU 139 Ca 0.04 -2.47 0.20 0.00 -0.02 0.00 0.00 57.16 54.90 1wkq n GLU 139 Cb 0.23 -2.05 0.97 0.00 -0.02 0.00 0.00 31.44 30.57 1wkq n GLU 139 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 1wkq h HIS 140 N 2.27 0.00 -0.01 -0.32 2.07 -1.73 -1.13 115.15 116.30 1wkq h HIS 140 Ca 0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.72 1wkq h HIS 140 Cb 2.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.98 1wkq h HIS 140 CO 1.03 0.00 -0.37 1.28 -3.07 0.00 0.00 177.93 176.80 1wkq n LEU 141 N -2.99 1.79 -0.24 6.12 4.77 -1.26 -4.50 117.00 120.69 1wkq n LEU 141 Ca -0.01 -0.62 0.13 0.00 -0.03 0.00 0.00 56.01 55.47 1wkq n LEU 141 Cb 0.15 -0.03 0.41 0.00 -2.33 0.00 0.00 43.42 41.62 1wkq n LEU 141 CO 0.22 0.33 1.22 0.77 -1.33 0.00 0.00 177.39 178.59 1wkq h SER 142 N 2.23 0.59 -0.15 -1.43 4.64 -1.54 -1.06 113.55 116.83 1wkq h SER 142 Ca 0.00 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 1wkq h SER 142 Cb 0.69 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1wkq h SER 142 CO 0.00 0.30 -0.09 -0.65 -0.87 0.00 0.00 176.83 175.52 1wkq h PRO 143 N 0.63 0.49 -0.14 4.77 0.11 -1.79 -1.12 132.00 134.96 1wkq h PRO 143 Ca 0.43 -0.13 -0.12 0.00 0.11 0.00 0.00 66.00 66.28 1wkq h PRO 143 Cb 0.74 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1wkq h PRO 143 CO -0.18 0.59 -0.45 0.74 -0.21 0.00 0.00 178.00 178.48 1wkq h PHE 144 N 0.46 0.41 -0.38 0.65 0.04 -1.52 -0.28 116.94 116.31 1wkq h PHE 144 Ca 0.09 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 1wkq h PHE 144 Cb 0.45 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1wkq h PHE 144 CO 0.01 0.74 -0.11 0.37 -0.60 0.00 0.00 178.31 178.73 1wkq h GLN 145 N 0.28 0.74 -0.45 1.51 5.75 -1.02 -0.41 115.11 121.50 1wkq h GLN 145 Ca 0.02 -0.29 0.02 0.00 -0.15 0.00 0.00 58.65 58.25 1wkq h GLN 145 Cb 0.91 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.39 1wkq h GLN 145 CO 0.08 0.89 0.26 0.00 -2.65 0.00 0.00 178.83 177.40 1wkq h ALA 146 N 0.83 0.57 -0.15 3.38 0.00 -0.88 -1.89 119.26 121.12 1wkq h ALA 146 Ca 0.09 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wkq h ALA 146 Cb 0.63 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1wkq h ALA 146 CO 0.04 -0.07 0.02 2.35 0.00 0.00 0.00 179.25 181.59 1wkq h TRP 147 N 0.51 0.03 -0.94 0.00 2.91 -0.79 -1.35 115.95 116.31 1wkq h TRP 147 Ca 0.18 0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.32 1wkq h TRP 147 Cb 0.04 0.01 -0.08 0.00 -0.51 0.00 0.00 29.16 28.62 1wkq h TRP 147 CO -0.08 0.00 0.58 0.00 -1.03 0.00 0.00 178.44 177.91 1wkq h ARG 148 N 0.08 0.93 -0.01 2.65 3.08 -0.80 -1.95 114.38 118.36 1wkq h ARG 148 Ca 0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1wkq h ARG 148 Cb 0.07 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1wkq h ARG 148 CO -0.10 0.62 -0.00 0.09 -1.07 0.00 0.00 179.97 179.50 1wkq n ASN 149 N -4.64 0.66 -4.41 7.04 3.02 -0.73 -4.74 115.26 111.46 1wkq n ASN 149 Ca 0.16 -1.21 -0.44 0.00 -0.03 0.00 0.00 54.58 53.07 1wkq n ASN 149 Cb 0.30 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.42 1wkq n ASN 149 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1wkq s PHE 150 N -2.01 2.93 0.32 3.10 5.36 -0.55 -4.92 117.98 122.20 1wkq s PHE 150 Ca 0.43 -0.75 -0.00 0.00 -0.96 0.00 0.00 56.93 55.65 1wkq s PHE 150 Cb 0.22 -3.98 0.51 0.00 -0.34 0.00 0.00 43.02 39.42 1wkq s PHE 150 CO 0.36 -1.32 1.97 0.00 -1.46 0.00 0.00 175.22 174.77 1wkq h ALA 151 N 9.24 1.44 -0.40 11.12 0.00 -1.86 -2.62 119.26 136.18 1wkq h ALA 151 Ca -0.29 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1wkq h ALA 151 Cb 1.08 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1wkq h ALA 151 CO 1.09 0.50 0.13 0.09 0.00 0.00 0.00 179.25 181.06 1wkq n ASN 152 N -4.41 3.54 -4.74 0.00 5.03 -1.26 -4.97 115.26 108.45 1wkq n ASN 152 Ca 0.08 -2.64 -0.33 0.00 0.87 0.00 0.00 54.58 52.55 1wkq n ASN 152 Cb 0.05 -0.63 0.09 0.00 -1.02 0.00 0.00 39.78 38.26 1wkq n ASN 152 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1wkq s LYS 153 N -1.91 2.25 -0.21 3.52 -2.85 -0.99 -5.02 119.74 114.52 1wkq s LYS 153 Ca 0.30 1.56 0.02 0.00 -1.00 0.00 0.00 55.97 56.85 1wkq s LYS 153 Cb 0.24 -1.87 0.04 0.00 -2.06 0.00 0.00 37.83 34.18 1wkq s LYS 153 CO 0.08 -1.71 -0.16 0.15 0.10 0.00 0.00 175.35 173.81 1wkq s LYS 154 N -4.14 2.63 0.57 1.78 1.02 -1.26 -5.12 119.74 115.23 1wkq s LYS 154 Ca 0.70 -1.04 -0.18 0.00 0.02 0.00 0.00 55.97 55.46 1wkq s LYS 154 Cb -0.24 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 1wkq s LYS 154 CO 0.46 -0.37 1.13 -1.21 -0.92 0.00 0.00 175.35 174.44 1wkq s GLU 155 N 1.22 3.22 0.00 1.68 0.41 -1.26 -5.26 118.70 118.70 1wkq s GLU 155 Ca -0.01 1.58 0.00 0.00 -0.41 0.00 0.00 54.97 56.13 1wkq s GLU 155 Cb -0.16 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 1wkq s GLU 155 CO -0.09 -0.95 0.00 2.48 -0.49 0.00 0.00 175.26 176.20