#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aw1 s HIS 3 N 0.00 3.16 0.53 -1.55 5.65 -1.26 -4.97 115.29 116.85 1aw1 s HIS 3 Ca 0.00 0.86 -0.20 0.00 0.25 0.00 0.00 55.06 55.97 1aw1 s HIS 3 Cb 0.00 -3.78 -0.06 0.00 -1.18 0.00 0.00 32.58 27.56 1aw1 s HIS 3 CO 0.00 -2.74 1.14 -1.25 -0.65 0.00 0.00 174.74 171.24 1aw1 s PRO 4 N 0.88 3.42 -0.09 2.88 0.04 -1.26 -4.91 135.00 135.96 1aw1 s PRO 4 Ca 0.65 1.65 0.02 0.00 0.04 0.00 0.00 61.00 63.36 1aw1 s PRO 4 Cb -0.40 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.08 1aw1 s PRO 4 CO 0.32 -0.80 -0.13 0.08 0.04 0.00 0.00 177.00 176.51 1aw1 s VAL 5 N -1.72 1.28 -0.17 -0.36 1.01 -0.94 -1.17 120.40 118.32 1aw1 s VAL 5 Ca 0.71 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1aw1 s VAL 5 Cb -0.25 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1aw1 s VAL 5 CO 0.28 0.40 -0.17 -0.69 0.00 0.00 0.00 175.10 174.92 1aw1 s VAL 6 N 0.92 2.40 -0.05 2.92 1.01 0.17 -2.78 120.40 125.01 1aw1 s VAL 6 Ca -0.09 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1aw1 s VAL 6 Cb -0.15 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1aw1 s VAL 6 CO 0.00 0.52 -0.21 -0.32 0.00 0.00 0.00 175.10 175.09 1aw1 s MET 7 N 1.14 2.12 -0.20 2.72 1.75 -0.77 0.05 119.30 126.11 1aw1 s MET 7 Ca 0.01 -0.76 -0.06 0.00 -1.25 0.00 0.00 55.69 53.62 1aw1 s MET 7 Cb -0.14 -1.84 -0.03 0.00 2.84 0.00 0.00 34.83 35.66 1aw1 s MET 7 CO -0.07 0.33 0.03 0.20 -0.65 0.00 0.00 175.02 174.87 1aw1 s GLY 8 N -0.12 1.80 -0.44 2.11 0.00 0.13 -0.34 107.32 110.45 1aw1 s GLY 8 Ca -0.02 -0.91 -0.14 0.00 0.00 0.00 0.00 44.72 43.66 1aw1 s GLY 8 CO 0.02 0.19 0.32 0.21 0.00 0.00 0.00 173.10 173.85 1aw1 s ASN 9 N 0.81 5.98 0.20 1.64 2.47 0.76 -0.92 114.94 125.88 1aw1 s ASN 9 Ca 0.02 -1.24 0.25 0.00 0.42 0.00 0.00 52.86 52.31 1aw1 s ASN 9 Cb -0.14 -2.12 0.90 0.00 -1.45 0.00 0.00 41.25 38.44 1aw1 s ASN 9 CO 0.02 -0.55 1.75 0.79 -3.72 0.00 0.00 177.10 175.39 1aw1 n TRP 10 N 5.11 0.77 -2.02 0.43 7.02 -0.96 -4.46 117.44 123.34 1aw1 n TRP 10 Ca -0.12 0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 1aw1 n TRP 10 Cb 0.44 -0.91 0.00 0.00 -2.42 0.00 0.00 31.31 28.42 1aw1 n TRP 10 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1aw1 n LYS 11 N -2.16 0.00 -2.75 -0.99 5.02 -1.26 -3.16 118.16 112.87 1aw1 n LYS 11 Ca 0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 1aw1 n LYS 11 Cb 0.34 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.36 1aw1 n LYS 11 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1aw1 n LEU 12 N 0.00 6.90 -3.71 -0.35 7.94 -1.26 -4.32 117.00 122.21 1aw1 n LEU 12 Ca 0.00 -5.21 -0.13 0.00 -1.11 0.00 0.00 56.01 49.56 1aw1 n LEU 12 Cb 0.00 -1.26 -0.14 0.00 0.53 0.00 0.00 43.42 42.56 1aw1 n LEU 12 CO 0.00 1.82 -0.16 0.20 -1.11 0.00 0.00 177.39 178.15 1aw1 s ASN 13 N -1.28 0.02 0.00 1.96 0.01 -1.19 -5.13 114.94 109.34 1aw1 s ASN 13 Ca 0.36 0.48 0.00 0.00 -0.71 0.00 0.00 52.86 52.99 1aw1 s ASN 13 Cb 0.11 0.42 0.00 0.00 0.41 0.00 0.00 41.25 42.20 1aw1 s ASN 13 CO 0.00 -0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.01 1aw1 n GLY 14 N 4.61 2.79 3.40 0.66 0.00 -1.26 -4.64 105.19 110.76 1aw1 n GLY 14 Ca -0.19 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1aw1 n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw1 s SER 15 N 0.00 -0.29 0.34 1.61 1.04 -1.26 -5.00 113.70 110.14 1aw1 s SER 15 Ca 0.00 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.12 1aw1 s SER 15 Cb 0.00 0.53 0.65 0.00 0.10 0.00 0.00 66.02 67.29 1aw1 s SER 15 CO 0.00 -0.94 1.95 0.11 0.98 0.00 0.00 173.24 175.33 1aw1 h LYS 16 N 2.26 0.85 0.09 4.02 1.57 -2.02 -1.54 116.57 121.80 1aw1 h LYS 16 Ca -0.32 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1aw1 h LYS 16 Cb 1.27 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1aw1 h LYS 16 CO 0.42 0.56 -0.04 1.05 -0.57 0.00 0.00 179.45 180.87 1aw1 h GLU 17 N 0.88 -0.12 -0.14 3.15 -0.00 -2.00 -3.29 114.58 113.06 1aw1 h GLU 17 Ca 0.33 0.01 0.03 0.00 -0.00 0.00 0.00 59.36 59.73 1aw1 h GLU 17 Cb 0.20 0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 28.95 1aw1 h GLU 17 CO -0.11 0.38 -0.05 1.98 -0.00 0.00 0.00 179.01 181.20 1aw1 h MET 18 N -0.69 -0.03 -0.68 1.06 4.05 -1.93 -0.35 114.93 116.36 1aw1 h MET 18 Ca -0.01 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.52 1aw1 h MET 18 Cb 0.55 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.27 1aw1 h MET 18 CO 0.02 -0.02 0.27 0.28 0.23 0.00 0.00 176.91 177.70 1aw1 h VAL 19 N -0.03 0.73 0.05 -5.77 2.07 -1.42 0.22 116.25 112.10 1aw1 h VAL 19 Ca 0.07 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1aw1 h VAL 19 Cb 0.14 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1aw1 h VAL 19 CO -0.16 0.08 -0.02 0.58 0.02 0.00 0.00 177.57 178.07 1aw1 h VAL 20 N 0.45 1.25 0.23 2.57 2.07 -1.55 -1.95 116.25 119.32 1aw1 h VAL 20 Ca 0.36 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1aw1 h VAL 20 Cb 0.48 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1aw1 h VAL 20 CO -0.34 0.26 -0.49 0.44 0.02 0.00 0.00 177.57 177.46 1aw1 h ASP 21 N -0.54 -1.42 -0.24 0.57 3.32 -0.59 -1.53 116.42 116.00 1aw1 h ASP 21 Ca -0.01 0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.24 1aw1 h ASP 21 Cb 0.48 0.51 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 1aw1 h ASP 21 CO 0.01 -0.55 -0.25 0.25 -1.72 0.00 0.00 179.24 176.98 1aw1 h LEU 22 N -0.78 -0.81 -1.73 1.55 5.85 -0.63 0.18 115.31 118.95 1aw1 h LEU 22 Ca -0.02 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1aw1 h LEU 22 Cb 0.74 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1aw1 h LEU 22 CO -0.20 -0.29 0.06 -0.07 -0.34 0.00 0.00 178.44 177.60 1aw1 h LEU 23 N -0.26 0.20 0.01 2.25 3.38 -1.28 0.31 115.31 119.92 1aw1 h LEU 23 Ca 0.14 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1aw1 h LEU 23 Cb 0.47 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1aw1 h LEU 23 CO -0.39 0.20 -0.38 0.78 0.09 0.00 0.00 178.44 178.73 1aw1 h ASN 24 N 0.23 0.31 -0.56 -0.43 2.35 -0.31 -2.61 115.58 114.56 1aw1 h ASN 24 Ca 0.06 -0.81 -0.00 0.00 -0.55 0.00 0.00 56.30 55.00 1aw1 h ASN 24 Cb 0.07 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1aw1 h ASN 24 CO -0.01 1.08 0.34 1.23 -1.65 0.00 0.00 177.43 178.43 1aw1 h GLY 25 N -0.43 0.80 0.40 2.83 0.00 -0.71 -1.05 103.07 104.92 1aw1 h GLY 25 Ca -0.05 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.00 1aw1 h GLY 25 CO 0.07 0.32 -0.16 -2.00 0.00 0.00 0.00 176.54 174.77 1aw1 h LEU 26 N 0.75 -0.50 -1.46 3.11 7.12 -0.45 -0.34 115.31 123.55 1aw1 h LEU 26 Ca 0.20 0.10 -0.04 0.00 0.13 0.00 0.00 57.88 58.27 1aw1 h LEU 26 Cb -0.03 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1aw1 h LEU 26 CO -0.04 -0.20 -0.05 -1.13 -0.13 0.00 0.00 178.44 176.89 1aw1 h ASN 27 N -0.18 0.27 0.40 1.25 -1.24 -1.05 -1.45 115.58 113.58 1aw1 h ASN 27 Ca 0.11 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 1aw1 h ASN 27 Cb 0.34 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1aw1 h ASN 27 CO -0.27 0.36 -0.19 0.00 -1.29 0.00 0.00 177.43 176.04 1aw1 h ALA 28 N 1.67 -0.54 0.00 1.57 0.00 0.08 -2.78 119.26 119.26 1aw1 h ALA 28 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1aw1 h ALA 28 Cb 0.28 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1aw1 h ALA 28 CO 0.01 -0.70 -0.05 0.93 0.00 0.00 0.00 179.25 179.44 1aw1 h GLU 29 N -0.75 0.00 -0.14 0.00 4.39 -0.72 -1.42 114.58 115.94 1aw1 h GLU 29 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1aw1 h GLU 29 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1aw1 h GLU 29 CO 0.09 0.05 0.00 1.28 -1.16 0.00 0.00 179.01 179.27 1aw1 n LEU 30 N -4.34 1.86 -4.38 1.33 4.77 -0.58 -4.88 117.00 110.78 1aw1 n LEU 30 Ca -0.03 -0.73 -0.55 0.00 -0.03 0.00 0.00 56.01 54.67 1aw1 n LEU 30 Cb 0.14 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1aw1 n LEU 30 CO 0.33 0.37 1.74 1.21 -1.33 0.00 0.00 177.39 179.72 1aw1 n GLU 31 N 0.45 0.64 -0.02 3.23 0.00 -0.54 -0.41 120.64 124.00 1aw1 n GLU 31 Ca 0.17 0.18 0.00 0.00 0.00 0.00 0.00 57.16 57.51 1aw1 n GLU 31 Cb 0.38 -2.05 0.00 0.00 0.00 0.00 0.00 31.44 29.77 1aw1 n GLU 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aw1 n GLY 32 N 6.80 2.44 3.70 8.31 0.00 -1.26 -5.01 105.19 120.17 1aw1 n GLY 32 Ca 0.46 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 1aw1 n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aw1 s VAL 33 N -2.84 3.31 0.29 1.61 1.01 0.46 -5.01 120.40 119.22 1aw1 s VAL 33 Ca 0.00 0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.90 1aw1 s VAL 33 Cb 0.00 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 1aw1 s VAL 33 CO 0.00 0.03 -0.09 -0.89 0.00 0.00 0.00 175.10 174.15 1aw1 s THR 34 N 1.86 1.88 0.00 3.92 2.01 -1.26 -4.85 115.64 119.20 1aw1 s THR 34 Ca 0.67 -2.18 0.00 0.00 0.31 0.00 0.00 61.69 60.49 1aw1 s THR 34 Cb -0.36 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 69.71 1aw1 s THR 34 CO 0.30 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 1aw1 n GLY 35 N -0.61 0.69 3.35 4.40 0.00 -1.26 -4.83 105.19 106.93 1aw1 n GLY 35 Ca -0.06 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1aw1 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aw1 s VAL 36 N -2.00 -0.00 -0.36 1.61 1.01 -1.26 -4.33 120.40 115.07 1aw1 s VAL 36 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 1aw1 s VAL 36 Cb 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1aw1 s VAL 36 CO 0.00 0.00 0.46 -1.81 0.00 0.00 0.00 175.10 173.76 1aw1 s ASP 37 N 0.37 6.26 -0.15 3.32 1.01 -0.32 -4.96 116.67 122.19 1aw1 s ASP 37 Ca -0.01 -0.16 -0.08 0.00 0.71 0.00 0.00 52.55 53.01 1aw1 s ASP 37 Cb -0.04 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 1aw1 s ASP 37 CO -0.01 -0.45 0.12 -0.69 0.21 0.00 0.00 175.17 174.34 1aw1 s VAL 38 N 2.26 5.30 0.06 -1.27 1.01 -1.26 0.44 120.40 126.95 1aw1 s VAL 38 Ca 0.16 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1aw1 s VAL 38 Cb -0.16 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1aw1 s VAL 38 CO 0.13 0.53 -0.11 0.00 0.00 0.00 0.00 175.10 175.66 1aw1 s ALA 39 N -0.35 0.88 0.01 5.51 0.00 0.11 -0.92 121.76 127.01 1aw1 s ALA 39 Ca 0.11 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1aw1 s ALA 39 Cb -0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1aw1 s ALA 39 CO 0.01 0.06 -0.14 0.14 0.00 0.00 0.00 175.76 175.83 1aw1 s VAL 40 N -1.44 1.14 -0.45 0.00 -7.23 -0.58 -0.69 120.40 111.15 1aw1 s VAL 40 Ca -0.05 -0.81 0.03 0.00 -1.81 0.00 0.00 61.98 59.34 1aw1 s VAL 40 Cb -0.09 -0.99 0.12 0.00 0.56 0.00 0.00 36.38 35.98 1aw1 s VAL 40 CO 0.01 0.17 0.20 0.00 -0.31 0.00 0.00 175.10 175.17 1aw1 s ALA 41 N -0.59 2.81 0.69 1.32 0.00 -0.09 0.71 121.76 126.62 1aw1 s ALA 41 Ca 0.04 -2.86 -0.09 0.00 0.00 0.00 0.00 51.96 49.05 1aw1 s ALA 41 Cb -0.07 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 21.07 1aw1 s ALA 41 CO 0.00 -1.95 1.04 -2.14 0.00 0.00 0.00 175.76 172.72 1aw1 s PRO 42 N 0.22 2.60 0.63 0.00 0.02 -1.26 -2.26 135.00 134.96 1aw1 s PRO 42 Ca 0.16 0.14 -0.17 0.00 0.02 0.00 0.00 61.00 61.15 1aw1 s PRO 42 Cb -0.24 -2.10 -0.01 0.00 0.02 0.00 0.00 34.50 32.16 1aw1 s PRO 42 CO -0.03 -1.08 1.20 -2.14 -0.33 0.00 0.00 177.00 174.62 1aw1 s PRO 43 N -5.28 2.75 0.38 5.54 0.02 -1.26 -4.30 135.00 132.85 1aw1 s PRO 43 Ca 0.58 1.77 0.14 0.00 0.02 0.00 0.00 61.00 63.51 1aw1 s PRO 43 Cb -0.11 -1.91 0.99 0.00 0.02 0.00 0.00 34.50 33.49 1aw1 s PRO 43 CO 0.48 -1.36 1.81 0.00 -0.33 0.00 0.00 177.00 177.60 1aw1 h ALA 44 N 0.52 2.06 -0.00 -1.55 0.00 -1.95 0.25 119.26 118.58 1aw1 h ALA 44 Ca -0.49 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1aw1 h ALA 44 Cb 1.29 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1aw1 h ALA 44 CO 0.54 -0.40 0.01 -0.07 0.00 0.00 0.00 179.25 179.33 1aw1 h LEU 45 N 0.51 0.00 -3.12 0.00 3.38 -2.02 -2.90 115.31 111.16 1aw1 h LEU 45 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1aw1 h LEU 45 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1aw1 h LEU 45 CO -0.26 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.76 1aw1 n PHE 46 N -3.27 0.78 -0.09 1.13 3.72 0.07 -4.59 117.46 115.21 1aw1 n PHE 46 Ca -0.03 -0.73 -0.14 0.00 -0.05 0.00 0.00 57.45 56.50 1aw1 n PHE 46 Cb 0.08 -0.21 -0.04 0.00 -0.94 0.00 0.00 39.48 38.38 1aw1 n PHE 46 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1aw1 h VAL 47 N 1.94 1.29 0.44 -4.37 2.07 -1.53 -0.10 116.25 116.00 1aw1 h VAL 47 Ca 0.00 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1aw1 h VAL 47 Cb 1.18 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1aw1 h VAL 47 CO 0.14 0.52 -0.40 -0.78 0.02 0.00 0.00 177.57 177.07 1aw1 h ASP 48 N 0.57 -1.08 -0.15 0.57 1.82 -1.81 0.17 116.42 116.51 1aw1 h ASP 48 Ca 0.03 0.09 0.05 0.00 -0.39 0.00 0.00 57.03 56.81 1aw1 h ASP 48 Cb 1.02 0.36 -0.06 0.00 0.68 0.00 0.00 39.33 41.33 1aw1 h ASP 48 CO 0.10 -0.56 -0.21 0.25 -1.61 0.00 0.00 179.24 177.21 1aw1 h LEU 49 N -0.85 -0.66 -0.69 2.28 6.46 -1.85 -1.90 115.31 118.12 1aw1 h LEU 49 Ca -0.04 0.11 0.08 0.00 -0.12 0.00 0.00 57.88 57.92 1aw1 h LEU 49 Cb 0.74 0.30 -0.07 0.00 -0.73 0.00 0.00 40.66 40.91 1aw1 h LEU 49 CO -0.04 -0.26 0.35 0.00 -0.62 0.00 0.00 178.44 177.87 1aw1 h ALA 50 N 0.76 0.94 -0.57 1.25 0.00 -0.81 0.93 119.26 121.77 1aw1 h ALA 50 Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1aw1 h ALA 50 Cb 0.41 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1aw1 h ALA 50 CO -0.30 -0.03 0.28 1.49 0.00 0.00 0.00 179.25 180.69 1aw1 h GLU 51 N 0.61 0.81 -0.38 0.00 4.81 -0.09 -1.38 114.58 118.96 1aw1 h GLU 51 Ca 0.33 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1aw1 h GLU 51 Cb 0.32 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1aw1 h GLU 51 CO -0.25 0.65 -0.00 0.00 -0.73 0.00 0.00 179.01 178.68 1aw1 h ARG 52 N 0.76 0.68 -0.40 1.92 3.08 -0.65 -1.63 114.38 118.14 1aw1 h ARG 52 Ca 0.20 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1aw1 h ARG 52 Cb 0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1aw1 h ARG 52 CO -0.03 0.78 0.18 1.15 -1.07 0.00 0.00 179.97 180.98 1aw1 h THR 53 N 0.50 1.18 -0.28 2.04 2.02 -0.70 -1.90 112.91 115.78 1aw1 h THR 53 Ca 0.11 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1aw1 h THR 53 Cb 0.47 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1aw1 h THR 53 CO 0.02 0.20 0.03 -0.07 0.37 0.00 0.00 175.52 176.06 1aw1 h LEU 54 N 0.50 0.46 -0.22 2.58 3.38 -1.19 -2.35 115.31 118.47 1aw1 h LEU 54 Ca 0.14 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1aw1 h LEU 54 Cb 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1aw1 h LEU 54 CO -0.02 0.62 0.09 0.74 0.09 0.00 0.00 178.44 179.96 1aw1 h THR 55 N 0.27 0.96 -0.73 0.22 2.02 -1.26 -0.07 112.91 114.33 1aw1 h THR 55 Ca 0.08 -0.07 0.12 0.00 0.77 0.00 0.00 66.41 67.32 1aw1 h THR 55 Cb 0.37 0.75 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 1aw1 h THR 55 CO 0.01 0.04 0.32 -0.33 0.37 0.00 0.00 175.52 175.92 1aw1 h GLU 56 N 0.20 0.48 0.00 6.66 4.39 -1.25 0.19 114.58 125.24 1aw1 h GLU 56 Ca 0.09 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1aw1 h GLU 56 Cb 0.05 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1aw1 h GLU 56 CO -0.09 0.32 0.00 0.00 -1.16 0.00 0.00 179.01 178.08 1aw1 n ALA 57 N -2.47 2.28 -2.26 3.43 0.00 -0.75 -4.86 120.51 115.88 1aw1 n ALA 57 Ca 0.13 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 1aw1 n ALA 57 Cb 0.36 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 1aw1 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aw1 n GLY 58 N 0.86 -0.10 3.76 0.00 0.00 0.65 -4.92 105.19 105.45 1aw1 n GLY 58 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1aw1 n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aw1 s SER 59 N -2.14 5.25 0.00 1.61 0.15 -0.33 -4.95 113.70 113.28 1aw1 s SER 59 Ca 0.00 2.37 0.23 0.00 0.70 0.00 0.00 55.95 59.25 1aw1 s SER 59 Cb 0.00 -2.60 0.20 0.00 -1.71 0.00 0.00 66.02 61.91 1aw1 s SER 59 CO 0.00 -1.55 1.23 0.00 1.20 0.00 0.00 173.24 174.12 1aw1 n ALA 60 N -1.55 2.46 -1.73 5.45 0.00 -1.26 -4.85 120.51 119.03 1aw1 n ALA 60 Ca 0.13 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.44 1aw1 n ALA 60 Cb 0.50 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 1aw1 n ALA 60 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1aw1 n ILE 61 N 1.29 1.51 -3.14 0.00 5.41 -1.26 -4.84 119.36 118.32 1aw1 n ILE 61 Ca 0.14 -0.38 -0.35 0.00 1.00 0.00 0.00 62.75 63.16 1aw1 n ILE 61 Cb 0.57 -1.80 -0.06 0.00 -0.71 0.00 0.00 39.64 37.64 1aw1 n ILE 61 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1aw1 s ILE 62 N -0.57 4.63 -0.22 1.39 1.01 -0.10 -4.98 121.20 122.37 1aw1 s ILE 62 Ca 0.60 1.12 -0.10 0.00 0.00 0.00 0.00 60.65 62.27 1aw1 s ILE 62 Cb -0.53 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 1aw1 s ILE 62 CO 0.56 0.07 0.13 -0.22 0.00 0.00 0.00 174.94 175.49 1aw1 s LEU 63 N -2.33 4.10 0.00 2.97 2.96 -1.26 -1.52 118.68 123.60 1aw1 s LEU 63 Ca 0.46 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 1aw1 s LEU 63 Cb -0.14 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 1aw1 s LEU 63 CO 0.20 0.12 0.05 0.61 -1.32 0.00 0.00 176.35 176.01 1aw1 n GLY 64 N 3.89 3.73 3.21 7.98 0.00 0.22 -0.67 105.19 123.56 1aw1 n GLY 64 Ca -0.16 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.64 1aw1 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aw1 s ALA 65 N -2.54 0.30 -2.45 4.61 0.00 -0.73 -4.08 121.76 116.87 1aw1 s ALA 65 Ca 0.07 -1.06 0.28 0.00 0.00 0.00 0.00 51.96 51.25 1aw1 s ALA 65 Cb 0.00 0.69 1.06 0.00 0.00 0.00 0.00 23.12 24.87 1aw1 s ALA 65 CO 0.05 -0.52 1.75 1.04 0.00 0.00 0.00 175.76 178.07 1aw1 n GLN 66 N -0.09 1.61 -3.65 0.00 6.02 -1.26 -1.47 117.38 118.53 1aw1 n GLN 66 Ca -0.09 -0.92 0.01 0.00 -0.01 0.00 0.00 57.00 55.99 1aw1 n GLN 66 Cb 0.63 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 30.40 1aw1 n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1aw1 s ASN 67 N -2.03 -0.06 0.07 1.08 2.47 -1.14 -4.56 114.94 110.78 1aw1 s ASN 67 Ca 0.38 -0.16 -0.19 0.00 0.42 0.00 0.00 52.86 53.30 1aw1 s ASN 67 Cb 0.21 0.19 0.04 0.00 -1.45 0.00 0.00 41.25 40.24 1aw1 s ASN 67 CO 0.35 -0.35 0.45 0.28 -3.72 0.00 0.00 177.10 174.11 1aw1 s THR 68 N -2.46 0.05 0.47 -5.21 -1.32 -1.26 -4.85 115.64 101.06 1aw1 s THR 68 Ca 0.15 -0.40 0.03 0.00 -1.21 0.00 0.00 61.69 60.26 1aw1 s THR 68 Cb 0.04 -1.02 0.03 0.00 -1.51 0.00 0.00 72.50 70.05 1aw1 s THR 68 CO -0.03 -0.22 0.27 0.47 -2.21 0.00 0.00 174.62 172.89 1aw1 n ASP 69 N 0.24 2.71 -1.39 8.08 8.00 -0.82 -4.92 116.55 128.44 1aw1 n ASP 69 Ca -0.18 -2.72 0.06 0.00 0.71 0.00 0.00 54.79 52.67 1aw1 n ASP 69 Cb 0.61 0.05 0.29 0.00 -0.02 0.00 0.00 41.12 42.05 1aw1 n ASP 69 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1aw1 n LEU 70 N 0.00 4.08 -3.88 0.64 4.77 -1.26 -4.72 117.00 116.63 1aw1 n LEU 70 Ca -0.06 -2.06 -0.11 0.00 -0.03 0.00 0.00 56.01 53.75 1aw1 n LEU 70 Cb 0.55 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1aw1 n LEU 70 CO 0.32 0.60 -0.17 0.20 -1.33 0.00 0.00 177.39 177.00 1aw1 s ASN 71 N -0.71 0.05 0.03 -1.43 -0.87 -1.26 -5.04 114.94 105.71 1aw1 s ASN 71 Ca 0.40 -0.27 0.18 0.00 -1.57 0.00 0.00 52.86 51.60 1aw1 s ASN 71 Cb 0.28 0.21 -0.16 0.00 -0.02 0.00 0.00 41.25 41.56 1aw1 s ASN 71 CO 0.16 -0.40 0.70 0.59 -2.57 0.00 0.00 177.10 175.58 1aw1 n ASN 72 N 1.29 0.63 -3.66 -1.22 3.02 -1.26 -4.29 115.26 109.77 1aw1 n ASN 72 Ca -0.22 0.27 -0.07 0.00 -0.03 0.00 0.00 54.58 54.53 1aw1 n ASN 72 Cb 0.56 0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 40.27 1aw1 n ASN 72 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1aw1 s SER 73 N -5.52 -0.31 0.00 6.41 1.04 -1.26 -4.67 113.70 109.39 1aw1 s SER 73 Ca -0.04 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1aw1 s SER 73 Cb 0.09 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1aw1 s SER 73 CO 0.82 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1aw1 n GLY 74 N -0.40 0.36 3.33 7.32 0.00 -1.26 -4.89 105.19 109.65 1aw1 n GLY 74 Ca -0.08 -2.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.25 1aw1 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aw1 n ALA 75 N -1.00 4.16 -3.30 4.61 0.00 -1.26 -4.72 120.51 119.00 1aw1 n ALA 75 Ca 0.00 -3.96 -0.25 0.00 0.00 0.00 0.00 53.44 49.22 1aw1 n ALA 75 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 19.45 15.92 1aw1 n ALA 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1aw1 n PHE 76 N 7.08 -0.80 -1.64 0.00 3.72 -1.26 -5.11 117.46 119.45 1aw1 n PHE 76 Ca 0.47 -3.35 -0.54 0.00 -0.05 0.00 0.00 57.45 53.98 1aw1 n PHE 76 Cb 0.43 0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 38.98 1aw1 n PHE 76 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1aw1 n THR 77 N 2.29 0.13 -0.65 4.37 -1.04 -1.26 -2.07 114.28 116.05 1aw1 n THR 77 Ca 0.26 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1aw1 n THR 77 Cb 0.50 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1aw1 n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1aw1 n GLY 78 N 3.24 1.55 3.83 3.41 0.00 -1.26 -5.04 105.19 110.91 1aw1 n GLY 78 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1aw1 n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aw1 s ASP 79 N -3.27 5.25 -0.28 1.61 1.11 -0.88 -5.04 116.67 115.16 1aw1 s ASP 79 Ca 0.00 1.46 -0.12 0.00 0.18 0.00 0.00 52.55 54.08 1aw1 s ASP 79 Cb 0.00 -2.32 -0.05 0.00 1.07 0.00 0.00 42.92 41.63 1aw1 s ASP 79 CO 0.00 -1.51 0.21 -0.04 1.18 0.00 0.00 175.17 175.01 1aw1 s MET 80 N -5.12 3.93 -0.24 8.23 -1.94 -1.26 -5.01 119.30 117.89 1aw1 s MET 80 Ca 0.58 -0.30 -0.12 0.00 -1.71 0.00 0.00 55.69 54.14 1aw1 s MET 80 Cb -0.13 -3.67 -0.05 0.00 2.01 0.00 0.00 34.83 32.99 1aw1 s MET 80 CO 0.54 -0.21 0.25 0.45 -0.01 0.00 0.00 175.02 176.05 1aw1 s SER 81 N 1.75 6.19 0.22 3.03 0.15 -1.26 -1.95 113.70 121.83 1aw1 s SER 81 Ca 0.08 0.20 -0.08 0.00 0.70 0.00 0.00 55.95 56.85 1aw1 s SER 81 Cb -0.16 -2.15 0.22 0.00 -1.71 0.00 0.00 66.02 62.22 1aw1 s SER 81 CO 0.11 -0.02 1.88 -0.65 1.20 0.00 0.00 173.24 175.76 1aw1 h PRO 82 N 7.74 1.04 -0.90 5.44 0.11 -1.85 -1.61 132.00 141.97 1aw1 h PRO 82 Ca -0.36 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1aw1 h PRO 82 Cb 1.17 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 1aw1 h PRO 82 CO 0.65 0.69 0.56 0.00 -0.21 0.00 0.00 178.00 179.68 1aw1 h ALA 83 N 1.33 1.30 -0.08 -0.75 0.00 -1.89 -1.81 119.26 117.36 1aw1 h ALA 83 Ca 0.32 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1aw1 h ALA 83 Cb -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1aw1 h ALA 83 CO -0.09 0.62 -0.61 0.52 0.00 0.00 0.00 179.25 179.69 1aw1 h MET 84 N 1.23 0.28 -0.48 0.00 2.86 -1.75 -3.00 114.93 114.06 1aw1 h MET 84 Ca 0.32 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1aw1 h MET 84 Cb -0.09 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1aw1 h MET 84 CO -0.06 0.80 0.09 -0.07 1.06 0.00 0.00 176.91 178.72 1aw1 h LEU 85 N 0.21 0.70 -1.59 1.22 3.38 -0.51 -2.39 115.31 116.33 1aw1 h LEU 85 Ca -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1aw1 h LEU 85 Cb 1.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1aw1 h LEU 85 CO 0.10 0.72 0.01 0.11 0.09 0.00 0.00 178.44 179.47 1aw1 h LYS 86 N 0.72 0.27 0.00 1.13 1.57 -1.22 -2.26 116.57 116.78 1aw1 h LYS 86 Ca 0.16 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1aw1 h LYS 86 Cb 0.32 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1aw1 h LYS 86 CO 0.00 0.29 -0.02 1.49 -0.57 0.00 0.00 179.45 180.64 1aw1 h GLU 87 N 0.27 0.00 -0.55 3.15 4.81 -1.38 -1.66 114.58 119.22 1aw1 h GLU 87 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1aw1 h GLU 87 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1aw1 h GLU 87 CO 0.00 0.02 0.00 1.19 -0.73 0.00 0.00 179.01 179.49 1aw1 n PHE 88 N -3.35 0.85 -1.18 0.92 3.72 -0.90 -4.95 117.46 112.58 1aw1 n PHE 88 Ca -0.02 -0.54 -0.06 0.00 -0.05 0.00 0.00 57.45 56.78 1aw1 n PHE 88 Cb 0.13 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 1aw1 n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aw1 n GLY 89 N 1.01 0.84 3.73 1.37 0.00 -0.63 -4.76 105.19 106.77 1aw1 n GLY 89 Ca 0.19 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1aw1 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aw1 s ALA 90 N -2.21 3.30 0.00 4.61 0.00 -0.94 -4.47 121.76 122.05 1aw1 s ALA 90 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1aw1 s ALA 90 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1aw1 s ALA 90 CO 0.00 -0.08 0.00 0.25 0.00 0.00 0.00 175.76 175.93 1aw1 n THR 91 N 2.51 0.00 -3.53 0.00 -2.24 0.15 -4.33 114.28 106.85 1aw1 n THR 91 Ca 0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 1aw1 n THR 91 Cb 0.48 -0.58 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 1aw1 n THR 91 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1aw1 s HIS 92 N -1.59 3.23 -0.25 4.78 3.76 -1.21 -0.57 115.29 123.44 1aw1 s HIS 92 Ca 0.00 -0.56 -0.05 0.00 -0.15 0.00 0.00 55.06 54.30 1aw1 s HIS 92 Cb 0.00 -2.50 0.00 0.00 1.11 0.00 0.00 32.58 31.19 1aw1 s HIS 92 CO 0.00 -0.52 0.00 0.42 -0.85 0.00 0.00 174.74 173.79 1aw1 s ILE 93 N 1.66 3.57 0.05 0.60 -1.09 -0.63 -1.78 121.20 123.58 1aw1 s ILE 93 Ca 0.05 -0.60 -0.31 0.00 -2.23 0.00 0.00 60.65 57.56 1aw1 s ILE 93 Cb -0.18 -2.73 -0.06 0.00 -1.58 0.00 0.00 42.46 37.91 1aw1 s ILE 93 CO 0.09 0.28 1.30 -0.63 -1.23 0.00 0.00 174.94 174.74 1aw1 s ILE 94 N 1.48 3.79 0.04 2.92 1.01 -0.54 -1.96 121.20 127.92 1aw1 s ILE 94 Ca 0.04 1.25 0.02 0.00 0.00 0.00 0.00 60.65 61.95 1aw1 s ILE 94 Cb -0.16 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1aw1 s ILE 94 CO -0.01 0.06 -0.06 0.27 0.00 0.00 0.00 174.94 175.20 1aw1 s ILE 95 N 1.53 0.42 -0.15 2.92 -4.36 -0.97 -2.88 121.20 117.70 1aw1 s ILE 95 Ca 0.61 -1.02 0.00 0.00 -0.26 0.00 0.00 60.65 59.98 1aw1 s ILE 95 Cb -0.31 -0.51 0.00 0.00 1.25 0.00 0.00 42.46 42.89 1aw1 s ILE 95 CO 0.28 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 175.66 1aw1 n GLY 96 N 1.51 0.45 3.60 6.27 0.00 -1.26 -1.26 105.19 114.51 1aw1 n GLY 96 Ca -0.23 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 1aw1 n GLY 96 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1aw1 n HIS 97 N -2.69 0.87 0.25 1.61 -0.00 -1.26 -4.53 115.22 109.46 1aw1 n HIS 97 Ca -0.01 0.49 0.08 0.00 0.46 0.00 0.00 57.72 58.74 1aw1 n HIS 97 Cb 0.18 -2.17 0.62 0.00 -0.12 0.00 0.00 29.99 28.50 1aw1 n HIS 97 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1aw1 h SER 98 N 0.98 0.00 -0.59 0.26 4.64 -1.94 -1.17 113.55 115.73 1aw1 h SER 98 Ca -0.46 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.78 1aw1 h SER 98 Cb 1.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.42 1aw1 h SER 98 CO 0.53 0.13 0.08 -0.33 -0.87 0.00 0.00 176.83 176.38 1aw1 h GLU 99 N 0.00 1.02 0.00 4.77 5.08 -1.99 0.23 114.58 123.69 1aw1 h GLU 99 Ca -0.00 -0.27 -0.18 0.00 -1.00 0.00 0.00 59.36 57.92 1aw1 h GLU 99 Cb 0.26 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1aw1 h GLU 99 CO 0.02 0.95 -0.83 0.00 -1.00 0.00 0.00 179.01 178.14 1aw1 h ARG 100 N 0.95 0.00 -0.17 2.33 3.08 -1.76 -0.01 114.38 118.81 1aw1 h ARG 100 Ca 0.19 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 1aw1 h ARG 100 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1aw1 h ARG 100 CO 0.01 0.83 -0.35 0.00 -1.07 0.00 0.00 179.97 179.40 1aw1 h ARG 101 N 0.00 0.53 0.49 0.04 3.08 -0.77 -0.78 114.38 116.98 1aw1 h ARG 101 Ca -0.01 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 1aw1 h ARG 101 Cb 1.50 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.60 1aw1 h ARG 101 CO 0.11 0.96 -0.23 0.93 -1.07 0.00 0.00 179.97 180.66 1aw1 h GLU 102 N 0.17 -0.63 -0.34 0.04 3.07 -0.58 -2.25 114.58 114.06 1aw1 h GLU 102 Ca 0.00 0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.76 1aw1 h GLU 102 Cb 0.95 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 1aw1 h GLU 102 CO 0.08 -0.42 -0.38 1.88 -1.40 0.00 0.00 179.01 178.76 1aw1 h TYR 103 N -0.95 0.97 -0.48 4.33 0.05 -1.11 -3.23 116.97 116.55 1aw1 h TYR 103 Ca -0.07 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.43 1aw1 h TYR 103 Cb 0.50 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1aw1 h TYR 103 CO 0.03 1.07 0.00 0.72 -1.05 0.00 0.00 178.16 178.93 1aw1 n HIS 104 N -4.05 0.64 -3.94 4.88 8.25 -0.32 -4.99 115.22 115.69 1aw1 n HIS 104 Ca -0.02 -0.46 -0.28 0.00 -0.26 0.00 0.00 57.72 56.70 1aw1 n HIS 104 Cb 0.53 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.62 1aw1 n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aw1 n ALA 105 N 1.01 -2.16 -2.66 -1.41 0.00 -0.86 -4.90 120.51 109.53 1aw1 n ALA 105 Ca 0.17 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1aw1 n ALA 105 Cb 0.50 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 1aw1 n ALA 105 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1aw1 s GLU 106 N -6.57 4.24 0.72 0.00 2.02 -1.13 -5.00 118.70 112.98 1aw1 s GLU 106 Ca 0.13 0.91 -0.10 0.00 0.02 0.00 0.00 54.97 55.94 1aw1 s GLU 106 Cb -0.05 -3.60 0.04 0.00 0.10 0.00 0.00 34.13 30.62 1aw1 s GLU 106 CO 0.90 -0.38 1.07 -1.54 0.02 0.00 0.00 175.26 175.33 1aw1 s SER 107 N 1.24 5.08 0.27 -0.19 1.04 -1.26 -4.62 113.70 115.25 1aw1 s SER 107 Ca 0.35 0.83 -0.04 0.00 0.48 0.00 0.00 55.95 57.57 1aw1 s SER 107 Cb -0.16 -1.54 0.35 0.00 0.10 0.00 0.00 66.02 64.77 1aw1 s SER 107 CO 0.10 -1.51 1.94 0.44 0.98 0.00 0.00 173.24 175.20 1aw1 h ASP 108 N -0.68 1.06 -0.32 7.02 3.32 -1.96 -1.86 116.42 123.00 1aw1 h ASP 108 Ca -0.45 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1aw1 h ASP 108 Cb 1.29 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1aw1 h ASP 108 CO 0.63 0.76 0.12 -0.08 -1.72 0.00 0.00 179.24 178.95 1aw1 h GLU 109 N 1.25 0.49 0.27 3.56 4.81 -1.93 -1.49 114.58 121.54 1aw1 h GLU 109 Ca 0.35 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1aw1 h GLU 109 Cb -0.11 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1aw1 h GLU 109 CO -0.08 0.50 -0.13 0.35 -0.73 0.00 0.00 179.01 178.92 1aw1 h PHE 110 N 0.37 -0.34 -0.60 0.92 3.57 -1.89 -0.69 116.94 118.29 1aw1 h PHE 110 Ca 0.11 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.69 1aw1 h PHE 110 Cb 0.21 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1aw1 h PHE 110 CO -0.00 -0.19 0.40 0.28 -2.23 0.00 0.00 178.31 176.57 1aw1 h VAL 111 N -0.40 0.91 -0.20 1.41 2.07 -1.30 -1.42 116.25 117.32 1aw1 h VAL 111 Ca -0.04 -0.15 -0.19 0.00 0.82 0.00 0.00 66.70 67.14 1aw1 h VAL 111 Cb 0.31 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1aw1 h VAL 111 CO 0.06 0.08 -0.65 0.00 0.02 0.00 0.00 177.57 177.08 1aw1 h ALA 112 N 1.69 0.47 -0.86 1.67 0.00 -0.65 -1.39 119.26 120.19 1aw1 h ALA 112 Ca 0.27 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1aw1 h ALA 112 Cb 0.50 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1aw1 h ALA 112 CO -0.08 0.69 0.46 0.87 0.00 0.00 0.00 179.25 181.20 1aw1 h LYS 113 N 0.53 1.20 -0.80 0.00 1.57 -0.13 -1.19 116.57 117.76 1aw1 h LYS 113 Ca -0.02 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1aw1 h LYS 113 Cb 1.25 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1aw1 h LYS 113 CO 0.13 0.89 0.41 0.87 -0.57 0.00 0.00 179.45 181.18 1aw1 h LYS 114 N 1.20 1.14 -0.60 3.15 1.57 -1.11 0.24 116.57 122.16 1aw1 h LYS 114 Ca 0.30 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1aw1 h LYS 114 Cb 0.04 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 1aw1 h LYS 114 CO -0.05 0.87 0.38 0.35 -0.57 0.00 0.00 179.45 180.43 1aw1 h PHE 115 N 1.12 0.71 -0.35 -1.35 3.04 -0.51 -0.56 116.94 119.05 1aw1 h PHE 115 Ca 0.28 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.15 1aw1 h PHE 115 Cb 0.09 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.35 1aw1 h PHE 115 CO 0.01 0.42 -0.17 0.00 -2.02 0.00 0.00 178.31 176.56 1aw1 h ALA 116 N 1.25 0.49 -0.74 2.41 0.00 -0.78 -2.55 119.26 119.34 1aw1 h ALA 116 Ca 0.23 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1aw1 h ALA 116 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1aw1 h ALA 116 CO -0.08 0.41 0.23 0.35 0.00 0.00 0.00 179.25 180.16 1aw1 h PHE 117 N 0.50 1.18 -0.55 0.00 3.57 -0.65 -1.44 116.94 119.55 1aw1 h PHE 117 Ca 0.08 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1aw1 h PHE 117 Cb 0.70 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1aw1 h PHE 117 CO 0.06 0.93 0.28 -0.07 -2.23 0.00 0.00 178.31 177.28 1aw1 h LEU 118 N 1.10 0.70 -0.81 0.59 3.38 -1.05 -1.67 115.31 117.55 1aw1 h LEU 118 Ca 0.24 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1aw1 h LEU 118 Cb 0.30 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1aw1 h LEU 118 CO -0.01 0.61 0.38 0.11 0.09 0.00 0.00 178.44 179.62 1aw1 h LYS 119 N 0.73 1.17 0.00 1.13 1.79 -1.21 0.16 116.57 120.34 1aw1 h LYS 119 Ca 0.19 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1aw1 h LYS 119 Cb 0.08 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1aw1 h LYS 119 CO -0.03 0.91 0.00 1.49 -1.08 0.00 0.00 179.45 180.74 1aw1 h GLU 120 N 1.15 0.00 -0.51 3.15 4.81 -0.87 -1.44 114.58 120.86 1aw1 h GLU 120 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1aw1 h GLU 120 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1aw1 h GLU 120 CO -0.03 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.34 1aw1 n ASN 121 N -2.90 3.83 -0.89 1.04 3.02 -0.66 -4.94 115.26 113.76 1aw1 n ASN 121 Ca 0.00 -2.27 -0.12 0.00 -0.03 0.00 0.00 54.58 52.17 1aw1 n ASN 121 Cb 0.25 -0.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.94 1aw1 n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aw1 n GLY 122 N 0.81 1.27 3.97 7.41 0.00 -0.54 -5.01 105.19 113.10 1aw1 n GLY 122 Ca 0.20 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 1aw1 n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aw1 s LEU 123 N -2.64 3.98 -0.34 0.99 2.01 0.50 -5.01 118.68 118.17 1aw1 s LEU 123 Ca 0.00 0.07 -0.11 0.00 0.01 0.00 0.00 54.13 54.10 1aw1 s LEU 123 Cb 0.00 -2.95 -0.00 0.00 0.01 0.00 0.00 46.19 43.24 1aw1 s LEU 123 CO 0.00 -0.39 0.20 -0.89 1.01 0.00 0.00 176.35 176.28 1aw1 s THR 124 N -2.24 4.91 0.30 5.49 2.01 0.26 -4.06 115.64 122.32 1aw1 s THR 124 Ca 0.43 -0.42 -0.28 0.00 0.31 0.00 0.00 61.69 61.73 1aw1 s THR 124 Cb -0.10 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 1aw1 s THR 124 CO 0.33 -0.03 1.03 -2.84 -0.69 0.00 0.00 174.62 172.42 1aw1 s PRO 125 N 1.65 4.60 -0.69 4.92 0.02 -1.26 -1.60 135.00 142.65 1aw1 s PRO 125 Ca 0.05 1.62 0.01 0.00 0.02 0.00 0.00 61.00 62.69 1aw1 s PRO 125 Cb -0.18 -3.05 0.17 0.00 0.02 0.00 0.00 34.50 31.46 1aw1 s PRO 125 CO 0.08 0.23 0.50 0.08 -0.33 0.00 0.00 177.00 177.56 1aw1 s VAL 126 N -1.31 3.45 -0.11 3.83 1.01 -0.83 -1.12 120.40 125.33 1aw1 s VAL 126 Ca 0.47 -3.55 -0.29 0.00 0.00 0.00 0.00 61.98 58.60 1aw1 s VAL 126 Cb -0.27 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1aw1 s VAL 126 CO 0.34 -0.94 1.41 -0.22 0.00 0.00 0.00 175.10 175.69 1aw1 s LEU 127 N -0.74 4.25 -0.21 3.92 2.96 0.42 -2.30 118.68 126.97 1aw1 s LEU 127 Ca 0.21 1.92 -0.14 0.00 -0.22 0.00 0.00 54.13 55.90 1aw1 s LEU 127 Cb -0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1aw1 s LEU 127 CO -0.08 -0.81 0.32 0.00 -1.32 0.00 0.00 176.35 174.47 1aw1 s ILE 129 N 1.22 1.19 0.00 0.00 -4.36 -0.82 -4.64 121.20 113.78 1aw1 s ILE 129 Ca 0.15 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 1aw1 s ILE 129 Cb -0.14 -1.50 0.00 0.00 1.25 0.00 0.00 42.46 42.07 1aw1 s ILE 129 CO 0.07 -0.49 0.00 0.61 0.24 0.00 0.00 174.94 175.36 1aw1 n GLY 130 N 0.48 2.65 3.92 6.27 0.00 -1.26 -1.29 105.19 115.96 1aw1 n GLY 130 Ca -0.15 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1aw1 n GLY 130 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1aw1 s GLU 131 N -2.00 3.38 0.62 1.61 1.03 -1.26 -4.78 118.70 117.30 1aw1 s GLU 131 Ca 0.00 -0.60 -0.10 0.00 0.03 0.00 0.00 54.97 54.30 1aw1 s GLU 131 Cb 0.00 -2.94 0.14 0.00 -0.80 0.00 0.00 34.13 30.53 1aw1 s GLU 131 CO 0.00 0.53 0.85 -1.13 -1.33 0.00 0.00 175.26 174.18 1aw1 n SER 132 N -0.39 0.16 -0.07 0.83 3.41 -1.26 -1.92 113.62 114.38 1aw1 n SER 132 Ca -0.07 -1.36 -0.12 0.00 -0.26 0.00 0.00 58.87 57.06 1aw1 n SER 132 Cb 0.54 -0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 1aw1 n SER 132 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1aw1 h ASP 133 N -1.06 0.45 -0.41 4.04 3.58 -1.99 -2.35 116.42 118.69 1aw1 h ASP 133 Ca -0.27 -0.41 -0.02 0.00 0.42 0.00 0.00 57.03 56.75 1aw1 h ASP 133 Cb 0.78 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 1aw1 h ASP 133 CO 0.20 0.76 0.17 0.00 -2.88 0.00 0.00 179.24 177.49 1aw1 h ALA 134 N 0.71 0.53 0.00 -0.78 0.00 -1.99 -1.34 119.26 116.38 1aw1 h ALA 134 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1aw1 h ALA 134 Cb 0.58 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1aw1 h ALA 134 CO 0.03 0.12 -0.08 1.96 0.00 0.00 0.00 179.25 181.28 1aw1 h GLN 135 N 0.51 0.00 -0.03 0.00 4.20 -1.92 -1.16 115.11 116.71 1aw1 h GLN 135 Ca 0.14 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.76 1aw1 h GLN 135 Cb 0.17 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.95 1aw1 h GLN 135 CO -0.01 0.08 -0.33 -0.97 -0.67 0.00 0.00 178.83 176.93 1aw1 h ASN 136 N 0.00 0.34 -0.97 1.46 -1.24 -0.87 0.42 115.58 114.73 1aw1 h ASN 136 Ca -0.00 -0.71 0.06 0.00 0.71 0.00 0.00 56.30 56.36 1aw1 h ASN 136 Cb 0.16 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 39.04 1aw1 h ASN 136 CO 0.01 1.00 0.62 -0.33 -1.29 0.00 0.00 177.43 177.44 1aw1 h GLU 137 N -0.28 1.10 0.00 6.67 4.39 -0.87 -0.47 114.58 125.13 1aw1 h GLU 137 Ca -0.03 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1aw1 h GLU 137 Cb 1.02 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1aw1 h GLU 137 CO 0.07 0.73 0.00 0.00 -1.16 0.00 0.00 179.01 178.65 1aw1 n ALA 138 N -2.36 1.98 -2.35 3.43 0.00 -0.48 -4.91 120.51 115.82 1aw1 n ALA 138 Ca 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 1aw1 n ALA 138 Cb 0.17 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1aw1 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aw1 n GLY 139 N 0.67 0.52 0.80 0.00 0.00 -0.18 -4.96 105.19 102.03 1aw1 n GLY 139 Ca 0.05 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.49 1aw1 n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aw1 n GLU 140 N -1.15 2.13 -0.31 1.61 1.02 0.14 -4.78 120.64 119.30 1aw1 n GLU 140 Ca -0.01 -1.93 -0.09 0.00 -0.02 0.00 0.00 57.16 55.10 1aw1 n GLU 140 Cb 0.52 -1.35 -0.08 0.00 -0.02 0.00 0.00 31.44 30.50 1aw1 n GLU 140 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1aw1 h THR 141 N 3.01 0.00 0.00 2.62 2.02 -1.87 -1.11 112.91 117.58 1aw1 h THR 141 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1aw1 h THR 141 Cb 0.76 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1aw1 h THR 141 CO 0.00 0.00 -0.27 0.24 0.37 0.00 0.00 175.52 175.86 1aw1 h MET 142 N -0.04 0.00 0.10 6.66 2.86 -1.95 -1.68 114.93 120.88 1aw1 h MET 142 Ca 0.12 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1aw1 h MET 142 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1aw1 h MET 142 CO -0.74 0.27 -0.05 0.00 1.06 0.00 0.00 176.91 177.45 1aw1 h ALA 143 N 1.73 -0.14 0.11 6.32 0.00 -1.59 0.15 119.26 125.85 1aw1 h ALA 143 Ca -0.00 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1aw1 h ALA 143 Cb 0.57 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1aw1 h ALA 143 CO 0.04 -0.48 -0.12 0.28 0.00 0.00 0.00 179.25 178.96 1aw1 h VAL 144 N -0.33 0.72 -0.42 0.00 2.07 -1.06 0.15 116.25 117.38 1aw1 h VAL 144 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1aw1 h VAL 144 Cb 0.27 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1aw1 h VAL 144 CO 0.02 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.83 1aw1 h ALA 146 N 1.66 0.59 0.11 0.00 0.00 -0.11 -2.46 119.26 119.05 1aw1 h ALA 146 Ca 0.15 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1aw1 h ALA 146 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1aw1 h ALA 146 CO -0.02 0.68 -0.05 -0.09 0.00 0.00 0.00 179.25 179.76 1aw1 h ARG 147 N 0.66 -0.15 -0.03 0.00 2.43 -0.15 -1.00 114.38 116.15 1aw1 h ARG 147 Ca 0.04 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1aw1 h ARG 147 Cb 1.04 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1aw1 h ARG 147 CO 0.10 0.14 -0.04 1.96 -1.51 0.00 0.00 179.97 180.62 1aw1 h GLN 148 N -0.43 0.04 0.16 0.20 4.20 -1.25 -2.71 115.11 115.31 1aw1 h GLN 148 Ca -0.02 -0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.39 1aw1 h GLN 148 Cb 0.35 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.14 1aw1 h GLN 148 CO 0.03 0.09 -1.36 1.25 -0.67 0.00 0.00 178.83 178.16 1aw1 h LEU 149 N 0.04 0.54 -1.28 1.46 5.85 -1.32 -3.30 115.31 117.30 1aw1 h LEU 149 Ca 0.01 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1aw1 h LEU 149 Cb 0.10 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1aw1 h LEU 149 CO 0.01 1.48 0.00 0.44 -0.34 0.00 0.00 178.44 180.02 1aw1 h ASP 150 N 0.09 0.00 0.15 1.25 3.32 -0.87 -1.39 116.42 118.97 1aw1 h ASP 150 Ca -0.19 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1aw1 h ASP 150 Cb 2.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.59 1aw1 h ASP 150 CO 0.22 0.00 -0.05 0.00 -1.72 0.00 0.00 179.24 177.69 1aw1 h ALA 151 N 2.08 1.41 0.00 3.45 0.00 -1.59 0.33 119.26 124.94 1aw1 h ALA 151 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1aw1 h ALA 151 Cb 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1aw1 h ALA 151 CO 0.00 0.06 -1.46 0.28 0.00 0.00 0.00 179.25 178.13 1aw1 n VAL 152 N -3.74 1.50 -0.05 0.00 0.31 -0.78 -4.28 118.33 111.29 1aw1 n VAL 152 Ca -0.03 -0.03 -0.08 0.00 -0.01 0.00 0.00 64.34 64.20 1aw1 n VAL 152 Cb 0.14 -2.19 -0.01 0.00 -0.91 0.00 0.00 33.84 30.87 1aw1 n VAL 152 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1aw1 h ILE 153 N -1.00 0.52 0.00 2.52 2.04 -1.16 0.61 117.51 121.05 1aw1 h ILE 153 Ca -0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1aw1 h ILE 153 Cb 1.16 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1aw1 h ILE 153 CO -0.14 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.60 1aw1 n ASN 154 N -5.33 0.00 -0.03 1.72 5.03 0.11 -0.34 115.26 116.43 1aw1 n ASN 154 Ca -0.01 0.21 -0.03 0.00 0.87 0.00 0.00 54.58 55.62 1aw1 n ASN 154 Cb 0.24 -0.37 -0.03 0.00 -1.02 0.00 0.00 39.78 38.60 1aw1 n ASN 154 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 1aw1 n THR 155 N -1.37 0.31 0.61 3.41 5.66 -0.50 -4.71 114.28 117.69 1aw1 n THR 155 Ca 0.07 -0.15 0.07 0.00 -3.05 0.00 0.00 64.05 60.99 1aw1 n THR 155 Cb 0.18 -0.78 -0.02 0.00 -1.55 0.00 0.00 70.33 68.16 1aw1 n THR 155 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aw1 n GLN 156 N -2.45 2.06 0.00 1.09 6.02 0.20 -5.09 117.38 119.21 1aw1 n GLN 156 Ca -0.09 -0.54 0.00 0.00 -0.01 0.00 0.00 57.00 56.36 1aw1 n GLN 156 Cb 0.62 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.70 1aw1 n GLN 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aw1 n GLY 157 N 1.12 -1.37 0.27 1.08 0.00 0.54 -4.29 105.19 102.53 1aw1 n GLY 157 Ca 0.05 -1.49 -0.01 0.00 0.00 0.00 0.00 46.02 44.56 1aw1 n GLY 157 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1aw1 h VAL 158 N 0.00 1.00 -0.98 1.61 -1.51 -1.90 -1.37 116.25 113.10 1aw1 h VAL 158 Ca 0.00 -0.26 0.28 0.00 -1.23 0.00 0.00 66.70 65.49 1aw1 h VAL 158 Cb 0.00 0.17 -0.04 0.00 -2.13 0.00 0.00 31.29 29.30 1aw1 h VAL 158 CO 0.00 0.14 0.80 -0.33 -1.23 0.00 0.00 177.57 176.94 1aw1 h GLU 159 N 0.76 0.00 -0.42 5.19 4.39 -1.94 -0.08 114.58 122.47 1aw1 h GLU 159 Ca 0.31 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.13 1aw1 h GLU 159 Cb 0.16 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1aw1 h GLU 159 CO -0.17 0.00 0.37 0.00 -1.16 0.00 0.00 179.01 178.06 1aw1 h ALA 160 N 1.33 2.22 0.00 3.43 0.00 -1.43 0.57 119.26 125.38 1aw1 h ALA 160 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1aw1 h ALA 160 Cb 2.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1aw1 h ALA 160 CO -0.00 -0.59 0.00 1.28 0.00 0.00 0.00 179.25 179.94 1aw1 n LEU 161 N -4.01 0.00 -4.71 0.00 4.77 -0.04 -4.73 117.00 108.28 1aw1 n LEU 161 Ca 0.07 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 1aw1 n LEU 161 Cb 0.56 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1aw1 n LEU 161 CO 0.31 -0.03 0.74 -1.83 -1.33 0.00 0.00 177.39 175.25 1aw1 s GLU 162 N -2.45 4.54 0.00 3.23 -1.05 0.19 -2.66 118.70 120.50 1aw1 s GLU 162 Ca 0.28 1.53 0.00 0.00 -0.15 0.00 0.00 54.97 56.63 1aw1 s GLU 162 Cb 0.18 -3.42 0.00 0.00 -0.44 0.00 0.00 34.13 30.45 1aw1 s GLU 162 CO 0.38 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.92 1aw1 n GLY 163 N 2.90 0.75 3.79 -3.83 0.00 -1.26 -5.04 105.19 102.50 1aw1 n GLY 163 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1aw1 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aw1 s ALA 164 N -2.53 3.66 -0.05 4.61 0.00 -1.09 -4.61 121.76 121.75 1aw1 s ALA 164 Ca 0.00 -1.71 0.05 0.00 0.00 0.00 0.00 51.96 50.30 1aw1 s ALA 164 Cb 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1aw1 s ALA 164 CO 0.00 0.04 -0.20 0.42 0.00 0.00 0.00 175.76 176.02 1aw1 s ILE 165 N -2.34 2.55 -0.15 0.00 1.01 -0.28 -4.18 121.20 117.80 1aw1 s ILE 165 Ca 0.39 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1aw1 s ILE 165 Cb -0.05 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1aw1 s ILE 165 CO 0.25 0.58 -0.10 -0.63 0.00 0.00 0.00 174.94 175.03 1aw1 s ILE 166 N -0.50 3.23 -0.29 2.92 1.01 -0.74 -0.44 121.20 126.40 1aw1 s ILE 166 Ca 0.06 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 1aw1 s ILE 166 Cb -0.11 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 40.00 1aw1 s ILE 166 CO 0.01 0.50 0.01 0.00 0.00 0.00 0.00 174.94 175.46 1aw1 s ALA 167 N 0.57 2.85 -0.28 9.38 0.00 0.25 0.60 121.76 135.13 1aw1 s ALA 167 Ca -0.06 -1.61 -0.20 0.00 0.00 0.00 0.00 51.96 50.08 1aw1 s ALA 167 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 1aw1 s ALA 167 CO 0.03 -1.08 0.63 -0.47 0.00 0.00 0.00 175.76 174.87 1aw1 s TYR 168 N 1.34 3.24 -0.18 0.00 5.04 0.13 -1.94 117.35 124.97 1aw1 s TYR 168 Ca -0.02 0.68 -0.02 0.00 -2.44 0.00 0.00 57.07 55.28 1aw1 s TYR 168 Cb -0.18 -2.92 0.06 0.00 0.35 0.00 0.00 41.96 39.26 1aw1 s TYR 168 CO -0.01 -0.41 0.02 -1.21 -1.34 0.00 0.00 175.55 172.60 1aw1 s GLU 169 N 2.56 0.82 -0.06 4.97 2.02 -0.41 0.45 118.70 129.04 1aw1 s GLU 169 Ca 0.25 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.51 1aw1 s GLU 169 Cb -0.15 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 1aw1 s GLU 169 CO 0.10 -0.59 1.25 -1.25 0.02 0.00 0.00 175.26 174.80 1aw1 s PRO 170 N 1.80 4.32 0.29 0.39 0.04 -1.26 -4.16 135.00 136.42 1aw1 s PRO 170 Ca -0.01 1.72 0.04 0.00 0.04 0.00 0.00 61.00 62.80 1aw1 s PRO 170 Cb -0.17 -3.60 0.73 0.00 0.04 0.00 0.00 34.50 31.51 1aw1 s PRO 170 CO -0.07 -0.51 1.70 0.82 0.04 0.00 0.00 177.00 178.97 1aw1 h ILE 171 N 5.08 0.48 0.00 0.56 2.04 -1.69 -1.44 117.51 122.55 1aw1 h ILE 171 Ca -0.34 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1aw1 h ILE 171 Cb 1.15 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1aw1 h ILE 171 CO 0.90 0.08 0.00 -2.67 0.00 0.00 0.00 178.15 176.45 1aw1 n TRP 172 N -5.03 0.00 0.85 1.37 4.27 -1.26 -2.38 117.44 115.26 1aw1 n TRP 172 Ca 0.22 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.92 1aw1 n TRP 172 Cb 0.66 -0.28 -0.07 0.00 -1.36 0.00 0.00 31.31 30.25 1aw1 n TRP 172 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1aw1 n ALA 173 N -1.28 4.07 -2.39 -1.67 0.00 -0.54 -4.62 120.51 114.07 1aw1 n ALA 173 Ca 0.07 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 1aw1 n ALA 173 Cb 0.11 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 1aw1 n ALA 173 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1aw1 s ILE 174 N -2.55 3.91 -1.91 0.00 1.01 -1.00 -2.65 121.20 118.01 1aw1 s ILE 174 Ca 0.09 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1aw1 s ILE 174 Cb 0.14 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1aw1 s ILE 174 CO 0.67 -0.91 0.00 0.61 0.00 0.00 0.00 174.94 175.31 1aw1 n GLY 175 N 5.11 1.40 0.01 6.18 0.00 -1.26 -4.83 105.19 111.79 1aw1 n GLY 175 Ca 0.15 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1aw1 n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aw1 n THR 176 N -2.76 0.10 -0.46 2.61 -2.24 -1.23 -4.98 114.28 105.33 1aw1 n THR 176 Ca -0.19 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1aw1 n THR 176 Cb 0.62 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1aw1 n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aw1 n GLY 177 N 1.72 1.63 3.32 3.38 0.00 -1.26 -4.93 105.19 109.05 1aw1 n GLY 177 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 1aw1 n GLY 177 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aw1 s LYS 178 N -0.17 4.13 0.50 1.61 2.36 -1.26 -5.01 119.74 121.90 1aw1 s LYS 178 Ca 0.00 -3.21 -0.13 0.00 -2.55 0.00 0.00 55.97 50.07 1aw1 s LYS 178 Cb 0.00 -4.51 -0.07 0.00 -1.05 0.00 0.00 37.83 32.20 1aw1 s LYS 178 CO 0.00 -1.24 0.92 0.00 1.55 0.00 0.00 175.35 176.58 1aw1 s ALA 179 N -1.25 3.17 0.37 3.13 0.00 -1.26 -3.86 121.76 122.06 1aw1 s ALA 179 Ca 0.30 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.99 1aw1 s ALA 179 Cb -0.10 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 19.97 1aw1 s ALA 179 CO -0.08 -0.25 1.08 0.00 0.00 0.00 0.00 175.76 176.51 1aw1 s ALA 180 N -2.65 3.18 0.79 0.00 0.00 -1.26 -4.98 121.76 116.84 1aw1 s ALA 180 Ca 0.55 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 53.19 1aw1 s ALA 180 Cb -0.10 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.78 1aw1 s ALA 180 CO 0.36 -0.26 1.15 0.95 0.00 0.00 0.00 175.76 177.96 1aw1 s THR 181 N -1.48 2.52 0.47 0.00 -4.23 -1.26 -4.81 115.64 106.85 1aw1 s THR 181 Ca 0.54 0.21 0.31 0.00 -1.18 0.00 0.00 61.69 61.57 1aw1 s THR 181 Cb -0.26 -2.57 0.34 0.00 1.34 0.00 0.00 72.50 71.34 1aw1 s THR 181 CO 0.33 -0.18 2.16 0.00 -0.54 0.00 0.00 174.62 176.38 1aw1 h ALA 182 N -0.95 1.28 -0.01 3.99 0.00 -1.94 -2.00 119.26 119.63 1aw1 h ALA 182 Ca -0.45 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 1aw1 h ALA 182 Cb 1.27 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.06 1aw1 h ALA 182 CO 0.48 0.08 -0.83 0.93 0.00 0.00 0.00 179.25 179.91 1aw1 h GLU 183 N 0.00 0.59 -0.06 0.00 4.39 -1.93 -1.49 114.58 116.07 1aw1 h GLU 183 Ca -0.00 -0.61 -0.01 0.00 0.34 0.00 0.00 59.36 59.08 1aw1 h GLU 183 Cb 0.22 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1aw1 h GLU 183 CO 0.01 1.22 -0.01 -0.44 -1.16 0.00 0.00 179.01 178.64 1aw1 h ASP 184 N 0.19 0.11 -0.65 1.42 3.32 -1.84 -1.42 116.42 117.56 1aw1 h ASP 184 Ca -0.10 -0.34 0.11 0.00 0.02 0.00 0.00 57.03 56.72 1aw1 h ASP 184 Cb 1.51 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.95 1aw1 h ASP 184 CO 0.16 0.42 0.24 0.00 -1.72 0.00 0.00 179.24 178.35 1aw1 h ALA 185 N 0.69 0.85 -0.47 3.45 0.00 -1.43 0.80 119.26 123.16 1aw1 h ALA 185 Ca 0.02 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1aw1 h ALA 185 Cb 0.37 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1aw1 h ALA 185 CO 0.00 -0.20 -0.03 0.37 0.00 0.00 0.00 179.25 179.39 1aw1 h GLN 186 N 0.41 0.79 0.64 0.00 5.75 -1.19 -0.29 115.11 121.22 1aw1 h GLN 186 Ca 0.33 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1aw1 h GLN 186 Cb 0.44 -0.08 0.01 0.00 1.07 0.00 0.00 27.48 28.91 1aw1 h GLN 186 CO -0.34 0.82 -0.31 -0.09 -2.65 0.00 0.00 178.83 176.27 1aw1 h ARG 187 N 0.74 -0.83 -0.66 1.69 1.12 -0.10 0.02 114.38 116.35 1aw1 h ARG 187 Ca 0.14 0.06 0.04 0.00 -1.11 0.00 0.00 59.98 59.10 1aw1 h ARG 187 Cb 0.50 0.19 -0.04 0.00 -0.01 0.00 0.00 29.97 30.60 1aw1 h ARG 187 CO 0.03 -0.54 0.40 0.82 -3.11 0.00 0.00 179.97 177.56 1aw1 h ILE 188 N -0.90 1.06 -0.25 1.20 2.04 -0.80 -1.29 117.51 118.58 1aw1 h ILE 188 Ca -0.09 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 1aw1 h ILE 188 Cb 0.67 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1aw1 h ILE 188 CO 0.14 0.14 -0.15 0.45 0.00 0.00 0.00 178.15 178.73 1aw1 h HIS 189 N 0.77 0.45 -0.22 1.37 3.86 -0.80 -0.28 115.15 120.30 1aw1 h HIS 189 Ca 0.27 -0.07 -0.16 0.00 -1.16 0.00 0.00 60.37 59.25 1aw1 h HIS 189 Cb 0.06 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1aw1 h HIS 189 CO -0.05 0.56 -0.51 0.00 0.86 0.00 0.00 177.93 178.78 1aw1 h ALA 190 N 1.46 0.70 0.00 2.45 0.00 -0.37 -1.75 119.26 121.75 1aw1 h ALA 190 Ca 0.07 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1aw1 h ALA 190 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1aw1 h ALA 190 CO 0.03 0.68 -0.54 1.96 0.00 0.00 0.00 179.25 181.38 1aw1 h GLN 191 N 0.48 0.00 -0.05 0.00 4.20 -0.69 -0.56 115.11 118.49 1aw1 h GLN 191 Ca 0.02 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1aw1 h GLN 191 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1aw1 h GLN 191 CO 0.10 0.54 -0.13 0.82 -0.67 0.00 0.00 178.83 179.49 1aw1 h ILE 192 N 0.00 1.44 -0.62 2.54 2.04 -0.86 -0.84 117.51 121.22 1aw1 h ILE 192 Ca -0.01 -1.51 0.03 0.00 1.00 0.00 0.00 64.86 64.38 1aw1 h ILE 192 Cb 1.07 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 39.42 1aw1 h ILE 192 CO 0.07 0.42 0.37 -0.09 0.00 0.00 0.00 178.15 178.91 1aw1 h ARG 193 N -0.35 0.69 -0.92 2.37 2.43 -1.31 -1.15 114.38 116.13 1aw1 h ARG 193 Ca -0.00 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1aw1 h ARG 193 Cb 0.74 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 1aw1 h ARG 193 CO 0.03 0.46 0.60 0.00 -1.51 0.00 0.00 179.97 179.55 1aw1 h ALA 194 N 1.28 1.21 -0.75 2.80 0.00 -1.03 0.23 119.26 123.00 1aw1 h ALA 194 Ca 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1aw1 h ALA 194 Cb 0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1aw1 h ALA 194 CO -0.12 0.49 0.37 1.25 0.00 0.00 0.00 179.25 181.24 1aw1 h HIS 195 N 1.18 1.08 -0.21 0.00 -0.00 -0.30 -2.16 115.15 114.73 1aw1 h HIS 195 Ca 0.36 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.62 1aw1 h HIS 195 Cb -0.03 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.04 1aw1 h HIS 195 CO -0.01 0.78 -0.10 0.82 -0.00 0.00 0.00 177.93 179.42 1aw1 h ILE 196 N 1.06 1.30 0.00 6.26 2.04 -0.07 -3.05 117.51 125.05 1aw1 h ILE 196 Ca 0.26 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1aw1 h ILE 196 Cb 0.10 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1aw1 h ILE 196 CO -0.03 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.47 1aw1 n ALA 197 N -2.40 1.15 1.04 1.87 0.00 0.69 -0.57 120.51 122.28 1aw1 n ALA 197 Ca -0.05 0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1aw1 n ALA 197 Cb 0.33 -1.26 0.57 0.00 0.00 0.00 0.00 19.45 19.08 1aw1 n ALA 197 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1aw1 n GLU 198 N -2.08 0.26 0.00 0.00 0.00 -0.84 -3.39 120.64 114.58 1aw1 n GLU 198 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1aw1 n GLU 198 Cb 0.06 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.00 1aw1 n GLU 198 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1aw1 n LYS 199 N -1.33 2.33 -3.27 5.31 5.02 0.26 -5.03 118.16 121.45 1aw1 n LYS 199 Ca 0.10 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.42 1aw1 n LYS 199 Cb 0.20 -0.91 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 1aw1 n LYS 199 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1aw1 s SER 200 N -2.22 -0.68 0.39 4.39 0.15 -0.83 -5.00 113.70 109.89 1aw1 s SER 200 Ca 0.00 0.63 0.21 0.00 0.70 0.00 0.00 55.95 57.49 1aw1 s SER 200 Cb 0.00 1.65 0.25 0.00 -1.71 0.00 0.00 66.02 66.21 1aw1 s SER 200 CO 0.00 -0.13 1.53 -0.33 1.20 0.00 0.00 173.24 175.51 1aw1 h GLU 201 N 7.79 0.00 -0.28 5.44 5.08 -1.83 -1.24 114.58 129.54 1aw1 h GLU 201 Ca -0.16 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 1aw1 h GLU 201 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1aw1 h GLU 201 CO 0.04 0.12 -0.30 0.00 -1.00 0.00 0.00 179.01 177.88 1aw1 h ALA 202 N 1.88 0.42 -0.01 3.43 0.00 -1.95 0.13 119.26 123.15 1aw1 h ALA 202 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1aw1 h ALA 202 Cb 1.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1aw1 h ALA 202 CO 0.02 0.44 -0.01 0.28 0.00 0.00 0.00 179.25 179.97 1aw1 h VAL 203 N 0.44 1.42 -0.85 0.00 2.07 -1.94 -3.10 116.25 114.28 1aw1 h VAL 203 Ca 0.04 -1.25 0.11 0.00 0.82 0.00 0.00 66.70 66.42 1aw1 h VAL 203 Cb 0.87 2.25 -0.08 0.00 -1.52 0.00 0.00 31.29 32.81 1aw1 h VAL 203 CO 0.07 0.33 0.49 0.00 0.02 0.00 0.00 177.57 178.48 1aw1 h ALA 204 N 0.48 1.25 0.00 1.67 0.00 -1.18 -0.39 119.26 121.08 1aw1 h ALA 204 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1aw1 h ALA 204 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1aw1 h ALA 204 CO 0.00 0.07 0.00 1.57 0.00 0.00 0.00 179.25 180.90 1aw1 h LYS 205 N 0.78 0.00 0.00 0.00 2.10 -1.03 -3.30 116.57 115.12 1aw1 h LYS 205 Ca 0.43 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.84 1aw1 h LYS 205 Cb 0.45 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.74 1aw1 h LYS 205 CO -0.28 0.00 -1.56 -0.91 -2.00 0.00 0.00 179.45 174.70 1aw1 h ASN 206 N 0.00 0.00 -3.06 7.07 -0.26 -1.03 -3.45 115.58 114.85 1aw1 h ASN 206 Ca 0.00 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.21 1aw1 h ASN 206 Cb 0.80 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 38.11 1aw1 h ASN 206 CO 0.00 0.81 0.81 0.54 -1.06 0.00 0.00 177.43 178.53 1aw1 s VAL 207 N -2.74 2.73 -0.14 2.81 0.11 -0.60 -4.91 120.40 117.64 1aw1 s VAL 207 Ca -0.04 0.55 -0.27 0.00 -2.93 0.00 0.00 61.98 59.29 1aw1 s VAL 207 Cb 0.08 -3.35 -0.01 0.00 -1.53 0.00 0.00 36.38 31.57 1aw1 s VAL 207 CO 0.82 0.06 0.93 -0.69 -3.33 0.00 0.00 175.10 172.89 1aw1 s VAL 208 N 0.69 4.82 -0.22 2.04 1.01 -1.26 -5.02 120.40 122.47 1aw1 s VAL 208 Ca 0.65 1.85 -0.00 0.00 0.00 0.00 0.00 61.98 64.48 1aw1 s VAL 208 Cb -0.42 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 31.75 1aw1 s VAL 208 CO 0.36 0.00 -0.12 -0.63 0.00 0.00 0.00 175.10 174.71 1aw1 s ILE 209 N 2.16 2.52 0.18 2.22 1.01 -1.26 -1.78 121.20 126.25 1aw1 s ILE 209 Ca 0.43 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 60.13 1aw1 s ILE 209 Cb -0.17 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1aw1 s ILE 209 CO 0.14 0.35 0.32 -1.10 0.00 0.00 0.00 174.94 174.65 1aw1 s GLN 210 N 1.31 3.45 -0.08 2.79 -0.21 0.20 -0.66 119.66 126.45 1aw1 s GLN 210 Ca 0.02 -0.62 -0.03 0.00 0.02 0.00 0.00 55.36 54.74 1aw1 s GLN 210 Cb -0.15 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 30.90 1aw1 s GLN 210 CO -0.08 0.48 0.05 -0.47 -2.12 0.00 0.00 175.29 173.15 1aw1 s TYR 211 N -1.84 3.29 -0.16 0.91 5.04 -1.07 0.18 117.35 123.72 1aw1 s TYR 211 Ca 0.35 0.28 -0.14 0.00 -2.44 0.00 0.00 57.07 55.12 1aw1 s TYR 211 Cb -0.10 -1.82 -0.06 0.00 0.35 0.00 0.00 41.96 40.32 1aw1 s TYR 211 CO 0.29 0.55 -0.29 0.41 -1.34 0.00 0.00 175.55 175.17 1aw1 n GLY 212 N 1.95 -0.42 0.00 8.97 0.00 0.17 -1.72 105.19 114.14 1aw1 n GLY 212 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1aw1 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aw1 n GLY 213 N 1.76 0.00 2.90 -0.02 0.00 -1.26 -4.03 105.19 104.53 1aw1 n GLY 213 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1aw1 n GLY 213 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aw1 n SER 214 N 0.00 4.42 -4.72 1.61 7.64 -1.09 -4.23 113.62 117.25 1aw1 n SER 214 Ca 0.00 -3.67 -0.42 0.00 1.01 0.00 0.00 58.87 55.79 1aw1 n SER 214 Cb 0.00 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.60 1aw1 n SER 214 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1aw1 n VAL 215 N -0.16 0.33 -4.17 0.44 0.31 -1.26 -4.85 118.33 108.96 1aw1 n VAL 215 Ca 0.31 -0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 64.45 1aw1 n VAL 215 Cb 0.39 -1.94 -0.10 0.00 -0.91 0.00 0.00 33.84 31.28 1aw1 n VAL 215 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1aw1 s LYS 216 N 0.61 0.92 0.30 5.55 1.02 -1.26 -4.60 119.74 122.28 1aw1 s LYS 216 Ca 0.72 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 55.32 1aw1 s LYS 216 Cb -0.52 -0.03 0.60 0.00 -0.52 0.00 0.00 37.83 37.37 1aw1 s LYS 216 CO 0.38 -0.14 1.85 -1.35 -0.92 0.00 0.00 175.35 175.17 1aw1 h PRO 217 N 2.87 0.92 0.00 -1.68 0.11 -1.94 0.31 132.00 132.58 1aw1 h PRO 217 Ca -0.35 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1aw1 h PRO 217 Cb 1.18 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1aw1 h PRO 217 CO 0.63 0.61 0.00 1.05 -0.21 0.00 0.00 178.00 180.07 1aw1 h GLU 218 N 0.94 0.00 0.00 1.05 9.09 -1.97 -3.22 114.58 120.47 1aw1 h GLU 218 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 1aw1 h GLU 218 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 1aw1 h GLU 218 CO -0.24 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.09 1aw1 n ASN 219 N -2.91 0.78 -0.24 3.06 0.23 -0.45 -4.84 115.26 110.90 1aw1 n ASN 219 Ca -0.00 -0.94 -0.05 0.00 -0.53 0.00 0.00 54.58 53.06 1aw1 n ASN 219 Cb 0.23 0.09 0.06 0.00 -2.08 0.00 0.00 39.78 38.07 1aw1 n ASN 219 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1aw1 h ALA 220 N 0.00 0.87 0.00 -2.53 0.00 -1.00 -3.04 119.26 113.56 1aw1 h ALA 220 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1aw1 h ALA 220 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1aw1 h ALA 220 CO 0.00 0.24 -0.25 0.00 0.00 0.00 0.00 179.25 179.25 1aw1 h ALA 221 N 1.26 1.06 -0.64 0.00 0.00 -1.87 -1.07 119.26 118.01 1aw1 h ALA 221 Ca 0.26 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1aw1 h ALA 221 Cb -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1aw1 h ALA 221 CO -0.08 0.31 0.22 0.00 0.00 0.00 0.00 179.25 179.70 1aw1 h ALA 222 N 1.75 0.84 0.18 0.00 0.00 -1.89 -1.70 119.26 118.44 1aw1 h ALA 222 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1aw1 h ALA 222 Cb 0.72 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1aw1 h ALA 222 CO 0.03 0.50 -0.08 1.88 0.00 0.00 0.00 179.25 181.57 1aw1 h TYR 223 N 0.92 -0.22 0.00 0.00 0.05 -1.45 -3.08 116.97 113.18 1aw1 h TYR 223 Ca 0.21 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.98 1aw1 h TYR 223 Cb 0.27 0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1aw1 h TYR 223 CO 0.02 0.11 0.00 1.19 -1.05 0.00 0.00 178.16 178.43 1aw1 n PHE 224 N -5.05 0.00 0.08 4.88 3.72 -0.45 -1.25 117.46 119.40 1aw1 n PHE 224 Ca -0.09 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.17 1aw1 n PHE 224 Cb 0.23 -0.40 -0.14 0.00 -0.94 0.00 0.00 39.48 38.23 1aw1 n PHE 224 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aw1 h ALA 225 N 2.19 0.23 -2.83 4.37 0.00 -1.21 -3.42 119.26 118.59 1aw1 h ALA 225 Ca 0.00 -0.97 -0.53 0.00 0.00 0.00 0.00 54.91 53.41 1aw1 h ALA 225 Cb 0.06 0.05 0.09 0.00 0.00 0.00 0.00 17.79 18.00 1aw1 h ALA 225 CO 0.00 1.10 0.88 -0.65 0.00 0.00 0.00 179.25 180.58 1aw1 s GLN 226 N -2.66 4.11 0.53 0.00 -1.52 -0.38 -4.92 119.66 114.82 1aw1 s GLN 226 Ca -0.04 2.59 0.30 0.00 -1.95 0.00 0.00 55.36 56.26 1aw1 s GLN 226 Cb 0.08 -3.01 1.43 0.00 -0.22 0.00 0.00 33.01 31.29 1aw1 s GLN 226 CO 0.86 -0.63 2.04 -1.00 -0.25 0.00 0.00 175.29 176.31 1aw1 h PRO 227 N 4.54 0.00 -0.29 2.91 0.13 -1.88 -3.20 132.00 134.20 1aw1 h PRO 227 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1aw1 h PRO 227 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1aw1 h PRO 227 CO 0.77 0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.40 1aw1 n ASP 228 N -3.44 3.14 -4.35 1.44 9.92 -1.26 -4.80 116.55 117.20 1aw1 n ASP 228 Ca -0.01 -1.92 -0.45 0.00 -0.53 0.00 0.00 54.79 51.89 1aw1 n ASP 228 Cb 0.27 -0.19 -0.07 0.00 -0.64 0.00 0.00 41.12 40.50 1aw1 n ASP 228 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1aw1 s ILE 229 N -1.39 5.12 -2.08 0.53 1.01 -1.21 -4.65 121.20 118.52 1aw1 s ILE 229 Ca 0.32 -1.27 0.14 0.00 0.00 0.00 0.00 60.65 59.84 1aw1 s ILE 229 Cb 0.19 -4.15 0.37 0.00 0.01 0.00 0.00 42.46 38.87 1aw1 s ILE 229 CO 0.27 -0.69 1.35 0.47 0.00 0.00 0.00 174.94 176.35 1aw1 n ASP 230 N 5.19 1.90 0.00 3.58 8.00 0.17 -4.79 116.55 130.60 1aw1 n ASP 230 Ca -0.13 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.46 1aw1 n ASP 230 Cb 0.42 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1aw1 n ASP 230 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aw1 n GLY 231 N 1.10 -0.77 3.30 0.44 0.00 -1.25 -2.22 105.19 105.79 1aw1 n GLY 231 Ca 0.14 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 1aw1 n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aw1 s ALA 232 N -1.00 -0.99 -0.32 4.61 0.00 -1.12 -2.58 121.76 120.37 1aw1 s ALA 232 Ca 0.00 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 52.68 1aw1 s ALA 232 Cb 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 1aw1 s ALA 232 CO 0.00 -0.24 0.15 -1.17 0.00 0.00 0.00 175.76 174.50 1aw1 s LEU 233 N -0.58 4.16 -0.11 0.00 2.96 -0.70 -1.85 118.68 122.56 1aw1 s LEU 233 Ca -0.07 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1aw1 s LEU 233 Cb -0.04 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1aw1 s LEU 233 CO 0.03 -0.22 0.01 -0.69 -1.32 0.00 0.00 176.35 174.16 1aw1 s VAL 234 N 1.59 4.33 0.00 1.68 1.01 0.54 -4.53 120.40 125.01 1aw1 s VAL 234 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1aw1 s VAL 234 Cb -0.17 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1aw1 s VAL 234 CO 0.06 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1aw1 n GLY 235 N 2.54 0.05 0.23 4.51 0.00 -1.26 -0.17 105.19 111.09 1aw1 n GLY 235 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 1aw1 n GLY 235 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aw1 h GLY 236 N 0.00 0.67 1.52 -0.02 0.00 -1.92 -0.55 103.07 102.76 1aw1 h GLY 236 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1aw1 h GLY 236 CO 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 176.54 176.36 1aw1 n ALA 237 N -2.74 1.64 0.81 3.60 0.00 -1.26 -2.03 120.51 120.53 1aw1 n ALA 237 Ca 0.09 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1aw1 n ALA 237 Cb 0.34 -1.16 0.32 0.00 0.00 0.00 0.00 19.45 18.96 1aw1 n ALA 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aw1 n ALA 238 N -1.26 2.92 1.47 0.00 0.00 -0.21 -2.51 120.51 120.92 1aw1 n ALA 238 Ca 0.05 -0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.36 1aw1 n ALA 238 Cb 0.07 -1.26 0.41 0.00 0.00 0.00 0.00 19.45 18.68 1aw1 n ALA 238 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aw1 n LEU 239 N -1.81 1.11 -3.89 0.00 4.32 -0.86 -4.73 117.00 111.15 1aw1 n LEU 239 Ca 0.05 -0.47 -0.21 0.00 -0.02 0.00 0.00 56.01 55.36 1aw1 n LEU 239 Cb 0.38 -0.07 -0.17 0.00 -1.62 0.00 0.00 43.42 41.94 1aw1 n LEU 239 CO 0.33 0.23 -0.41 -0.62 -1.22 0.00 0.00 177.39 175.71 1aw1 s ASP 240 N -1.54 1.17 0.23 -1.43 2.15 -1.25 -5.03 116.67 110.97 1aw1 s ASP 240 Ca 0.30 -0.15 -0.07 0.00 0.43 0.00 0.00 52.55 53.07 1aw1 s ASP 240 Cb 0.15 -0.50 0.21 0.00 -0.30 0.00 0.00 42.92 42.48 1aw1 s ASP 240 CO 0.24 -0.07 1.80 0.00 -0.17 0.00 0.00 175.17 176.97 1aw1 h ALA 241 N 7.37 1.09 0.66 3.66 0.00 -1.86 -2.18 119.26 128.00 1aw1 h ALA 241 Ca -0.34 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1aw1 h ALA 241 Cb 1.15 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1aw1 h ALA 241 CO 0.44 0.65 -0.32 0.87 0.00 0.00 0.00 179.25 180.89 1aw1 h LYS 242 N 1.13 -0.86 0.20 0.00 1.79 -1.93 -1.41 116.57 115.49 1aw1 h LYS 242 Ca 0.26 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1aw1 h LYS 242 Cb 0.20 0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 1aw1 h LYS 242 CO -0.02 -0.54 -0.38 0.77 -1.08 0.00 0.00 179.45 178.19 1aw1 h SER 243 N -0.99 -1.11 -0.89 0.86 0.02 -1.81 -0.36 113.55 109.27 1aw1 h SER 243 Ca -0.09 0.11 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1aw1 h SER 243 Cb 0.71 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 63.58 1aw1 h SER 243 CO 0.15 -0.44 0.57 0.15 -1.14 0.00 0.00 176.83 176.12 1aw1 h PHE 244 N -0.63 0.92 -0.40 3.45 3.57 -1.09 0.33 116.94 123.10 1aw1 h PHE 244 Ca -0.02 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1aw1 h PHE 244 Cb 0.59 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1aw1 h PHE 244 CO -0.33 0.41 -0.23 0.00 -2.23 0.00 0.00 178.31 175.92 1aw1 h ALA 245 N 1.57 0.84 0.44 2.41 0.00 -1.01 -0.75 119.26 122.75 1aw1 h ALA 245 Ca 0.42 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1aw1 h ALA 245 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1aw1 h ALA 245 CO -0.18 0.64 -0.41 0.00 0.00 0.00 0.00 179.25 179.30 1aw1 h ALA 246 N 1.04 -1.10 -0.88 0.00 0.00 0.74 0.36 119.26 119.41 1aw1 h ALA 246 Ca 0.09 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.04 1aw1 h ALA 246 Cb 0.76 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 19.06 1aw1 h ALA 246 CO 0.06 -1.11 0.41 0.82 0.00 0.00 0.00 179.25 179.43 1aw1 h ILE 247 N -0.84 0.56 -0.63 0.00 2.04 -0.90 0.34 117.51 118.08 1aw1 h ILE 247 Ca -0.06 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.55 1aw1 h ILE 247 Cb 0.72 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1aw1 h ILE 247 CO -0.03 0.09 0.02 0.00 0.00 0.00 0.00 178.15 178.22 1aw1 h ALA 248 N 1.66 0.84 -0.61 1.87 0.00 -0.59 -2.49 119.26 119.94 1aw1 h ALA 248 Ca 0.53 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1aw1 h ALA 248 Cb 0.94 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1aw1 h ALA 248 CO -0.48 0.68 0.01 0.87 0.00 0.00 0.00 179.25 180.33 1aw1 h LYS 249 N 1.00 1.07 -0.52 0.00 1.57 0.35 -2.63 116.57 117.41 1aw1 h LYS 249 Ca 0.18 -0.34 0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1aw1 h LYS 249 Cb 0.55 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 1aw1 h LYS 249 CO 0.03 1.04 0.20 0.00 -0.57 0.00 0.00 179.45 180.15 1aw1 h ALA 250 N 1.01 0.65 -0.81 3.86 0.00 -0.66 -0.85 119.26 122.46 1aw1 h ALA 250 Ca 0.17 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1aw1 h ALA 250 Cb 0.55 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1aw1 h ALA 250 CO 0.03 -0.19 0.41 0.00 0.00 0.00 0.00 179.25 179.50 1aw1 h ALA 251 N 1.34 1.20 -0.05 0.00 0.00 -1.23 -1.65 119.26 118.86 1aw1 h ALA 251 Ca 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1aw1 h ALA 251 Cb 0.26 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1aw1 h ALA 251 CO -0.24 0.62 0.02 0.00 0.00 0.00 0.00 179.25 179.65 1aw1 h ALA 252 N 1.31 0.06 0.21 0.00 0.00 -0.88 -1.68 119.26 118.28 1aw1 h ALA 252 Ca 0.28 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1aw1 h ALA 252 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1aw1 h ALA 252 CO -0.04 -0.34 -0.25 1.49 0.00 0.00 0.00 179.25 180.12 1aw1 h GLU 253 N -0.11 -0.45 -0.74 0.00 4.22 -0.99 -3.18 114.58 113.32 1aw1 h GLU 253 Ca 0.02 0.03 0.13 0.00 0.08 0.00 0.00 59.36 59.62 1aw1 h GLU 253 Cb 0.20 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.46 1aw1 h GLU 253 CO -0.00 -0.30 0.30 0.00 -2.18 0.00 0.00 179.01 176.83 1aw1 h ALA 254 N -1.29 1.03 -0.01 2.92 0.00 -1.34 -3.52 119.26 117.05 1aw1 h ALA 254 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1aw1 h ALA 254 Cb 0.41 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1aw1 h ALA 254 CO -0.05 -0.20 0.00 1.63 0.00 0.00 0.00 179.25 180.63