#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 3.20 0.57 -1.55 5.65 -1.26 -4.98 115.29 116.92 1aw1 s HIS 3 Ca 0.00 1.20 -0.19 0.00 0.25 0.00 0.00 55.06 56.31 1aw1 s HIS 3 Cb 0.00 -3.44 -0.04 0.00 -1.18 0.00 0.00 32.58 27.92 1aw1 s HIS 3 CO 0.00 -1.40 1.19 -1.25 -0.65 0.00 0.00 174.74 172.63 1aw1 s PRO 4 N 2.06 3.13 -0.10 2.88 0.04 -1.26 -4.88 135.00 136.87 1aw1 s PRO 4 Ca 0.57 1.78 0.01 0.00 0.04 0.00 0.00 61.00 63.40 1aw1 s PRO 4 Cb -0.26 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1aw1 s PRO 4 CO 0.23 -1.07 -0.12 0.08 0.04 0.00 0.00 177.00 176.16 1aw1 s VAL 5 N -1.63 1.26 -0.22 -0.36 1.01 -0.58 -1.34 120.40 118.55 1aw1 s VAL 5 Ca 0.75 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1aw1 s VAL 5 Cb -0.29 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1aw1 s VAL 5 CO 0.32 0.40 -0.11 -0.69 0.00 0.00 0.00 175.10 175.01 1aw1 s VAL 6 N 1.13 2.61 -0.07 2.92 1.01 0.41 -2.15 120.40 126.25 1aw1 s VAL 6 Ca -0.05 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.03 1aw1 s VAL 6 Cb -0.14 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1aw1 s VAL 6 CO -0.03 0.34 -0.20 -0.32 0.00 0.00 0.00 175.10 174.90 1aw1 s MET 7 N 1.32 2.75 -0.31 2.72 1.75 -0.15 -1.01 119.30 126.37 1aw1 s MET 7 Ca 0.02 -0.82 -0.11 0.00 -1.25 0.00 0.00 55.69 53.53 1aw1 s MET 7 Cb -0.15 -2.31 -0.03 0.00 2.84 0.00 0.00 34.83 35.18 1aw1 s MET 7 CO -0.07 0.38 0.20 0.20 -0.65 0.00 0.00 175.02 175.08 1aw1 s GLY 8 N -0.14 1.93 -0.50 2.11 0.00 -0.42 0.29 107.32 110.59 1aw1 s GLY 8 Ca -0.03 -1.28 -0.17 0.00 0.00 0.00 0.00 44.72 43.24 1aw1 s GLY 8 CO 0.04 0.71 0.52 0.21 0.00 0.00 0.00 173.10 174.58 1aw1 s ASN 9 N 1.71 6.18 0.33 1.64 2.47 0.20 -1.16 114.94 126.31 1aw1 s ASN 9 Ca 0.06 -1.18 0.26 0.00 0.42 0.00 0.00 52.86 52.42 1aw1 s ASN 9 Cb -0.17 -2.24 1.03 0.00 -1.45 0.00 0.00 41.25 38.43 1aw1 s ASN 9 CO 0.10 -0.80 1.78 -0.50 -3.72 0.00 0.00 177.10 173.96 1aw1 h TRP 10 N 8.89 0.00 0.00 0.43 4.06 -1.76 -3.40 115.95 124.18 1aw1 h TRP 10 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1aw1 h TRP 10 Cb 1.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 1aw1 h TRP 10 CO 0.70 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 177.21 1aw1 n LYS 11 N -2.47 0.00 -2.21 0.49 5.02 -1.26 -3.06 118.16 114.67 1aw1 n LYS 11 Ca 0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1aw1 n LYS 11 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 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 7.44 -3.87 -0.35 7.94 -1.26 -4.31 117.00 122.59 1aw1 n LEU 12 Ca 0.00 -4.85 -0.12 0.00 -1.11 0.00 0.00 56.01 49.93 1aw1 n LEU 12 Cb 0.00 -1.38 -0.13 0.00 0.53 0.00 0.00 43.42 42.43 1aw1 n LEU 12 CO 0.00 1.80 -0.32 0.20 -1.11 0.00 0.00 177.39 177.96 1aw1 s ASN 13 N 0.30 -0.02 0.00 1.96 0.01 -1.17 -5.14 114.94 110.88 1aw1 s ASN 13 Ca 0.47 0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.64 1aw1 s ASN 13 Cb 0.15 0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.89 1aw1 s ASN 13 CO -0.05 -0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 1aw1 n GLY 14 N 2.92 4.25 3.43 0.66 0.00 -1.26 -4.52 105.19 110.66 1aw1 n GLY 14 Ca -0.13 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.53 0.27 1.61 1.04 -1.26 -4.99 113.70 109.84 1aw1 s SER 15 Ca 0.00 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.62 1aw1 s SER 15 Cb 0.00 0.55 0.62 0.00 0.10 0.00 0.00 66.02 67.29 1aw1 s SER 15 CO 0.00 -0.81 1.72 0.11 0.98 0.00 0.00 173.24 175.24 1aw1 h LYS 16 N 2.46 0.47 -0.07 4.02 1.57 -2.01 0.27 116.57 123.29 1aw1 h LYS 16 Ca -0.32 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.20 1aw1 h LYS 16 Cb 1.24 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.46 1aw1 h LYS 16 CO 0.40 0.31 -0.89 0.93 -0.57 0.00 0.00 179.45 179.63 1aw1 h GLU 17 N 0.49 0.68 -0.66 3.15 3.07 -2.00 -3.14 114.58 116.16 1aw1 h GLU 17 Ca 0.50 -0.64 -0.06 0.00 -0.50 0.00 0.00 59.36 58.66 1aw1 h GLU 17 Cb 0.85 0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.89 1aw1 h GLU 17 CO -0.45 1.24 0.16 1.98 -1.40 0.00 0.00 179.01 180.54 1aw1 h MET 18 N 0.43 1.06 0.16 2.33 4.05 -1.62 -2.12 114.93 119.21 1aw1 h MET 18 Ca -0.08 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.08 1aw1 h MET 18 Cb 1.53 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 32.19 1aw1 h MET 18 CO 0.17 0.95 -0.09 0.28 0.23 0.00 0.00 176.91 178.45 1aw1 h VAL 19 N 0.98 0.82 -0.35 -5.77 2.07 -0.99 -1.28 116.25 111.73 1aw1 h VAL 19 Ca 0.21 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.62 1aw1 h VAL 19 Cb 0.36 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1aw1 h VAL 19 CO 0.00 0.00 -0.24 -0.37 0.02 0.00 0.00 177.57 176.98 1aw1 h VAL 20 N -0.24 1.27 -0.29 2.57 -1.51 -1.50 -1.51 116.25 115.05 1aw1 h VAL 20 Ca -0.02 -1.34 -0.05 0.00 -1.23 0.00 0.00 66.70 64.07 1aw1 h VAL 20 Cb 0.19 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 1aw1 h VAL 20 CO 0.03 0.44 0.00 0.44 -1.23 0.00 0.00 177.57 177.25 1aw1 h ASP 21 N 0.60 0.50 -0.35 4.19 3.32 -1.24 0.26 116.42 123.70 1aw1 h ASP 21 Ca 0.08 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1aw1 h ASP 21 Cb 0.73 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1aw1 h ASP 21 CO 0.06 0.69 0.15 0.25 -1.72 0.00 0.00 179.24 178.67 1aw1 h LEU 22 N 0.30 0.48 -0.56 1.55 5.85 -1.16 -0.73 115.31 121.03 1aw1 h LEU 22 Ca 0.08 -0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 1aw1 h LEU 22 Cb 0.43 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1aw1 h LEU 22 CO 0.01 0.49 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.12 1aw1 h LEU 23 N 0.43 0.73 -0.28 2.25 3.38 -1.25 -0.40 115.31 120.18 1aw1 h LEU 23 Ca 0.12 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1aw1 h LEU 23 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1aw1 h LEU 23 CO -0.01 1.06 0.04 0.78 0.09 0.00 0.00 178.44 180.39 1aw1 h ASN 24 N 0.56 0.45 -0.53 -0.43 -0.26 -0.85 -2.57 115.58 111.95 1aw1 h ASN 24 Ca 0.04 -0.27 -0.11 0.00 -0.56 0.00 0.00 56.30 55.40 1aw1 h ASN 24 Cb 0.96 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 38.08 1aw1 h ASN 24 CO 0.09 0.61 -0.12 1.23 -1.06 0.00 0.00 177.43 178.18 1aw1 h GLY 25 N 0.27 1.09 0.88 2.83 0.00 -1.03 -2.62 103.07 104.50 1aw1 h GLY 25 Ca 0.08 -0.89 0.03 0.00 0.00 0.00 0.00 47.33 46.55 1aw1 h GLY 25 CO 0.01 0.82 0.43 -2.00 0.00 0.00 0.00 176.54 175.79 1aw1 h LEU 26 N 0.88 0.71 -1.23 3.11 5.85 -1.07 -0.96 115.31 122.60 1aw1 h LEU 26 Ca 0.14 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1aw1 h LEU 26 Cb 0.68 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1aw1 h LEU 26 CO 0.05 0.49 -0.25 -1.13 -0.34 0.00 0.00 178.44 177.26 1aw1 h ASN 27 N 0.84 0.21 -0.29 1.25 -1.24 -1.33 -2.24 115.58 112.78 1aw1 h ASN 27 Ca 0.27 -0.06 -0.11 0.00 0.71 0.00 0.00 56.30 57.12 1aw1 h ASN 27 Cb 0.01 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 1aw1 h ASN 27 CO -0.10 0.47 -0.24 0.00 -1.29 0.00 0.00 177.43 176.27 1aw1 h ALA 28 N 1.55 0.42 0.00 1.57 0.00 -0.91 -3.18 119.26 118.70 1aw1 h ALA 28 Ca 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1aw1 h ALA 28 Cb 0.56 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1aw1 h ALA 28 CO 0.04 0.39 -0.09 0.93 0.00 0.00 0.00 179.25 180.52 1aw1 h GLU 29 N 0.41 0.00 -0.60 0.00 4.39 -0.64 -2.98 114.58 115.16 1aw1 h GLU 29 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1aw1 h GLU 29 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1aw1 h GLU 29 CO 0.06 0.09 0.00 1.28 -1.16 0.00 0.00 179.01 179.28 1aw1 n LEU 30 N -3.98 5.26 -1.06 1.33 4.77 -0.96 -4.82 117.00 117.54 1aw1 n LEU 30 Ca -0.02 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.23 1aw1 n LEU 30 Cb 0.17 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1aw1 n LEU 30 CO 0.31 0.71 0.00 1.21 -1.33 0.00 0.00 177.39 178.30 1aw1 n GLU 31 N 0.79 0.00 0.00 3.23 2.13 -1.13 -1.12 120.64 124.54 1aw1 n GLU 31 Ca 0.27 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1aw1 n GLU 31 Cb 1.06 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 31.51 1aw1 n GLU 31 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1aw1 n GLY 32 N 0.85 0.00 3.64 8.31 0.00 -1.26 -5.11 105.19 111.61 1aw1 n GLY 32 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.37 0.00 1.61 1.01 -0.28 -4.90 120.40 122.22 1aw1 s VAL 33 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1aw1 s VAL 33 Cb 0.00 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1aw1 s VAL 33 CO 0.00 -0.48 0.13 0.35 0.00 0.00 0.00 175.10 175.10 1aw1 n THR 34 N 5.99 0.00 0.58 3.92 -2.24 -1.26 -4.81 114.28 116.46 1aw1 n THR 34 Ca 0.13 -0.26 0.03 0.00 -2.27 0.00 0.00 64.05 61.68 1aw1 n THR 34 Cb 0.47 1.24 0.15 0.00 -2.10 0.00 0.00 70.33 70.08 1aw1 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aw1 n GLY 35 N 0.26 1.40 3.12 3.38 0.00 -1.26 -4.87 105.19 107.21 1aw1 n GLY 35 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.66 0.13 -0.25 1.61 1.01 -1.26 -4.33 120.40 115.65 1aw1 s VAL 36 Ca 0.20 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 1aw1 s VAL 36 Cb 0.14 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1aw1 s VAL 36 CO 0.09 -0.59 0.13 -1.81 0.00 0.00 0.00 175.10 172.92 1aw1 s ASP 37 N -2.09 5.68 -0.22 3.32 1.01 -0.45 -5.00 116.67 118.93 1aw1 s ASP 37 Ca -0.05 -0.05 -0.05 0.00 0.71 0.00 0.00 52.55 53.10 1aw1 s ASP 37 Cb -0.01 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.87 1aw1 s ASP 37 CO -0.04 -0.00 -0.00 -0.69 0.21 0.00 0.00 175.17 174.64 1aw1 s VAL 38 N 1.45 3.78 0.21 -1.27 1.01 -1.26 -0.45 120.40 123.88 1aw1 s VAL 38 Ca 0.06 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1aw1 s VAL 38 Cb -0.15 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1aw1 s VAL 38 CO 0.06 0.41 -0.19 0.00 0.00 0.00 0.00 175.10 175.38 1aw1 s ALA 39 N 1.34 2.35 0.00 5.51 0.00 -0.18 -0.79 121.76 129.99 1aw1 s ALA 39 Ca 0.04 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.35 1aw1 s ALA 39 Cb -0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1aw1 s ALA 39 CO 0.00 0.26 -0.06 0.54 0.00 0.00 0.00 175.76 176.50 1aw1 s VAL 40 N -2.28 0.47 -0.39 0.00 0.11 0.41 -1.30 120.40 117.41 1aw1 s VAL 40 Ca 0.22 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 1aw1 s VAL 40 Cb -0.05 -0.42 0.11 0.00 -1.53 0.00 0.00 36.38 34.50 1aw1 s VAL 40 CO 0.10 0.05 0.15 0.00 -3.33 0.00 0.00 175.10 172.07 1aw1 s ALA 41 N -0.32 2.46 0.61 1.54 0.00 -0.31 -0.08 121.76 125.66 1aw1 s ALA 41 Ca 0.00 -2.49 -0.02 0.00 0.00 0.00 0.00 51.96 49.46 1aw1 s ALA 41 Cb -0.03 -1.90 0.05 0.00 0.00 0.00 0.00 23.12 21.23 1aw1 s ALA 41 CO -0.00 -1.85 0.87 -1.25 0.00 0.00 0.00 175.76 173.53 1aw1 s PRO 42 N 0.70 2.40 0.57 0.00 0.04 -1.26 -2.52 135.00 134.92 1aw1 s PRO 42 Ca 0.14 -0.60 -0.21 0.00 0.04 0.00 0.00 61.00 60.37 1aw1 s PRO 42 Cb -0.21 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1aw1 s PRO 42 CO -0.08 -0.92 1.33 -2.14 0.04 0.00 0.00 177.00 175.22 1aw1 s PRO 43 N -4.95 3.02 0.30 0.56 0.02 -1.26 -4.35 135.00 128.34 1aw1 s PRO 43 Ca 0.59 2.16 0.04 0.00 0.02 0.00 0.00 61.00 63.81 1aw1 s PRO 43 Cb -0.10 -2.15 0.78 0.00 0.02 0.00 0.00 34.50 33.04 1aw1 s PRO 43 CO 0.41 -1.26 1.62 0.00 -0.33 0.00 0.00 177.00 177.44 1aw1 h ALA 44 N 1.25 1.33 -0.60 -1.55 0.00 -1.96 0.37 119.26 118.10 1aw1 h ALA 44 Ca -0.51 0.26 0.17 0.00 0.00 0.00 0.00 54.91 54.83 1aw1 h ALA 44 Cb 1.31 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1aw1 h ALA 44 CO 0.56 -0.54 0.51 -0.07 0.00 0.00 0.00 179.25 179.71 1aw1 h LEU 45 N 0.14 0.00 -2.99 0.00 4.07 -2.03 -2.77 115.31 111.73 1aw1 h LEU 45 Ca 0.59 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.55 1aw1 h LEU 45 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1aw1 h LEU 45 CO -0.73 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.12 1aw1 n PHE 46 N -4.01 0.76 -0.06 1.13 3.72 0.11 -4.55 117.46 114.55 1aw1 n PHE 46 Ca 0.12 -0.59 -0.02 0.00 -0.05 0.00 0.00 57.45 56.90 1aw1 n PHE 46 Cb 0.74 -0.12 0.23 0.00 -0.94 0.00 0.00 39.48 39.39 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 2.48 1.22 0.14 -4.37 2.07 -1.49 -1.05 116.25 115.25 1aw1 h VAL 47 Ca 0.00 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1aw1 h VAL 47 Cb 1.01 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1aw1 h VAL 47 CO 0.08 0.31 -0.06 -0.78 0.02 0.00 0.00 177.57 177.13 1aw1 h ASP 48 N 0.63 -0.15 -0.47 0.57 1.82 -1.80 -1.79 116.42 115.23 1aw1 h ASP 48 Ca 0.13 -0.26 0.01 0.00 -0.39 0.00 0.00 57.03 56.52 1aw1 h ASP 48 Cb 0.37 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 1aw1 h ASP 48 CO 0.01 0.19 0.31 0.25 -1.61 0.00 0.00 179.24 178.39 1aw1 h LEU 49 N -0.51 0.53 -0.42 2.28 6.46 -1.83 -1.23 115.31 120.58 1aw1 h LEU 49 Ca -0.02 -0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.63 1aw1 h LEU 49 Cb 0.41 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1aw1 h LEU 49 CO 0.03 0.38 -0.14 0.00 -0.62 0.00 0.00 178.44 178.10 1aw1 h ALA 50 N 1.71 0.58 -0.24 1.25 0.00 -1.09 -2.06 119.26 119.42 1aw1 h ALA 50 Ca 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1aw1 h ALA 50 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1aw1 h ALA 50 CO -0.04 0.49 0.07 1.49 0.00 0.00 0.00 179.25 181.26 1aw1 h GLU 51 N 0.65 0.38 -0.53 0.00 4.81 -0.81 -1.62 114.58 117.47 1aw1 h GLU 51 Ca 0.10 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1aw1 h GLU 51 Cb 0.68 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 1aw1 h GLU 51 CO 0.05 0.47 0.20 0.00 -0.73 0.00 0.00 179.01 179.00 1aw1 h ARG 52 N 0.21 0.38 0.10 1.92 3.08 -1.16 0.21 114.38 119.12 1aw1 h ARG 52 Ca 0.08 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1aw1 h ARG 52 Cb 0.26 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1aw1 h ARG 52 CO -0.00 0.25 -0.05 1.15 -1.07 0.00 0.00 179.97 180.25 1aw1 h THR 53 N 0.39 1.06 -0.39 2.04 2.02 -1.30 -1.45 112.91 115.28 1aw1 h THR 53 Ca 0.26 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 1aw1 h THR 53 Cb 0.27 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1aw1 h THR 53 CO -0.25 0.15 0.10 -0.07 0.37 0.00 0.00 175.52 175.82 1aw1 h LEU 54 N -0.40 0.52 0.23 2.58 3.38 -1.10 -2.06 115.31 118.44 1aw1 h LEU 54 Ca -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1aw1 h LEU 54 Cb 0.34 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1aw1 h LEU 54 CO 0.02 0.52 -0.11 0.74 0.09 0.00 0.00 178.44 179.70 1aw1 h THR 55 N 0.56 0.83 -0.97 0.22 2.02 -0.91 0.19 112.91 114.84 1aw1 h THR 55 Ca 0.13 -0.76 0.22 0.00 0.77 0.00 0.00 66.41 66.77 1aw1 h THR 55 Cb 0.20 1.24 -0.09 0.00 -1.74 0.00 0.00 68.15 67.76 1aw1 h THR 55 CO -0.01 0.16 0.62 -0.08 0.37 0.00 0.00 175.52 176.58 1aw1 h GLU 56 N -0.72 0.51 0.00 6.66 4.81 -0.98 0.56 114.58 125.42 1aw1 h GLU 56 Ca -0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1aw1 h GLU 56 Cb 0.49 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1aw1 h GLU 56 CO 0.05 0.34 -0.44 0.00 -0.73 0.00 0.00 179.01 178.23 1aw1 n ALA 57 N -2.44 3.10 -2.33 2.92 0.00 -0.80 -4.93 120.51 116.02 1aw1 n ALA 57 Ca 0.22 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 1aw1 n ALA 57 Cb 0.71 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.44 -0.13 3.76 0.00 0.00 0.19 -4.96 105.19 105.48 1aw1 n GLY 58 Ca 0.05 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.50 5.16 0.00 1.61 0.15 -0.09 -4.93 113.70 113.10 1aw1 s SER 59 Ca 0.04 2.20 0.23 0.00 0.70 0.00 0.00 55.95 59.12 1aw1 s SER 59 Cb -0.02 -2.58 0.16 0.00 -1.71 0.00 0.00 66.02 61.87 1aw1 s SER 59 CO 0.04 -1.60 1.19 0.00 1.20 0.00 0.00 173.24 174.08 1aw1 n ALA 60 N -1.95 3.43 -1.71 5.45 0.00 -1.26 -4.88 120.51 119.58 1aw1 n ALA 60 Ca 0.12 -0.60 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 1aw1 n ALA 60 Cb 0.51 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.09 0.60 -2.96 0.00 5.41 -1.26 -4.85 119.36 116.21 1aw1 n ILE 61 Ca 0.10 -0.15 -0.38 0.00 1.00 0.00 0.00 62.75 63.32 1aw1 n ILE 61 Cb 0.45 -1.83 -0.06 0.00 -0.71 0.00 0.00 39.64 37.49 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 0.43 4.38 -0.14 1.39 1.01 0.03 -4.97 121.20 123.32 1aw1 s ILE 62 Ca 0.70 1.61 -0.06 0.00 0.00 0.00 0.00 60.65 62.90 1aw1 s ILE 62 Cb -0.55 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 1aw1 s ILE 62 CO 0.43 0.32 0.08 -0.22 0.00 0.00 0.00 174.94 175.55 1aw1 s LEU 63 N -1.66 3.97 0.00 2.97 2.96 -1.26 -0.45 118.68 125.21 1aw1 s LEU 63 Ca 0.42 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.56 1aw1 s LEU 63 Cb -0.20 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.51 1aw1 s LEU 63 CO 0.24 0.29 0.00 0.61 -1.32 0.00 0.00 176.35 176.17 1aw1 n GLY 64 N 2.77 4.07 3.25 7.98 0.00 0.88 -0.04 105.19 124.10 1aw1 n GLY 64 Ca -0.18 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.00 0.55 -1.81 4.61 0.00 -0.54 -3.99 121.76 118.58 1aw1 s ALA 65 Ca 0.00 -1.28 0.26 0.00 0.00 0.00 0.00 51.96 50.94 1aw1 s ALA 65 Cb 0.00 0.97 0.63 0.00 0.00 0.00 0.00 23.12 24.72 1aw1 s ALA 65 CO 0.00 -0.58 1.49 1.04 0.00 0.00 0.00 175.76 177.70 1aw1 n GLN 66 N -0.19 0.91 -3.59 0.00 6.02 -1.26 -1.15 117.38 118.12 1aw1 n GLN 66 Ca -0.04 -0.59 0.02 0.00 -0.01 0.00 0.00 57.00 56.37 1aw1 n GLN 66 Cb 0.64 -1.49 -0.01 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 -2.49 -0.03 0.12 1.08 2.47 -1.13 -4.51 114.94 110.45 1aw1 s ASN 67 Ca 0.24 -0.04 -0.10 0.00 0.42 0.00 0.00 52.86 53.38 1aw1 s ASN 67 Cb 0.19 0.06 0.00 0.00 -1.45 0.00 0.00 41.25 40.05 1aw1 s ASN 67 CO 0.53 -0.11 0.25 0.28 -3.72 0.00 0.00 177.10 174.32 1aw1 s THR 68 N -2.17 0.11 0.25 -5.21 -1.32 -1.26 -4.89 115.64 101.15 1aw1 s THR 68 Ca 0.14 -1.16 0.02 0.00 -1.21 0.00 0.00 61.69 59.48 1aw1 s THR 68 Cb 0.05 -1.47 0.02 0.00 -1.51 0.00 0.00 72.50 69.58 1aw1 s THR 68 CO -0.05 -0.49 0.16 0.47 -2.21 0.00 0.00 174.62 172.49 1aw1 n ASP 69 N -0.13 1.94 -1.65 8.08 8.00 -0.71 -4.92 116.55 127.16 1aw1 n ASP 69 Ca -0.13 -1.89 0.08 0.00 0.71 0.00 0.00 54.79 53.56 1aw1 n ASP 69 Cb 0.63 0.01 0.36 0.00 -0.02 0.00 0.00 41.12 42.10 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 4.91 -4.03 0.64 4.77 -1.26 -4.75 117.00 117.28 1aw1 n LEU 70 Ca -0.02 -2.49 -0.12 0.00 -0.03 0.00 0.00 56.01 53.36 1aw1 n LEU 70 Cb 0.29 -0.61 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 1aw1 n LEU 70 CO 0.17 0.72 -0.39 0.20 -1.33 0.00 0.00 177.39 176.76 1aw1 s ASN 71 N -0.82 0.63 -0.07 -1.43 0.01 -1.26 -5.04 114.94 106.96 1aw1 s ASN 71 Ca 0.50 -0.53 0.09 0.00 -0.71 0.00 0.00 52.86 52.21 1aw1 s ASN 71 Cb 0.34 0.06 -0.24 0.00 0.41 0.00 0.00 41.25 41.83 1aw1 s ASN 71 CO 0.21 -0.24 0.57 0.59 -1.51 0.00 0.00 177.10 176.71 1aw1 n ASN 72 N 1.51 1.08 -3.78 -1.22 5.03 -1.26 -4.26 115.26 112.35 1aw1 n ASN 72 Ca -0.23 0.35 -0.07 0.00 0.87 0.00 0.00 54.58 55.50 1aw1 n ASN 72 Cb 0.55 -0.16 -0.02 0.00 -1.02 0.00 0.00 39.78 39.12 1aw1 n ASN 72 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1aw1 s SER 73 N -6.24 -0.29 0.00 6.41 1.04 -1.26 -4.70 113.70 108.66 1aw1 s SER 73 Ca -0.09 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1aw1 s SER 73 Cb 0.08 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1aw1 s SER 73 CO 0.81 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1aw1 n GLY 74 N -0.45 0.39 3.37 7.32 0.00 -1.26 -4.90 105.19 109.66 1aw1 n GLY 74 Ca -0.06 -2.25 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 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 4.09 -3.39 4.61 0.00 -1.26 -4.77 120.51 118.80 1aw1 n ALA 75 Ca 0.00 -4.10 -0.27 0.00 0.00 0.00 0.00 53.44 49.08 1aw1 n ALA 75 Cb 0.00 -3.27 -0.10 0.00 0.00 0.00 0.00 19.45 16.08 1aw1 n ALA 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1aw1 s PHE 76 N 2.42 0.92 0.18 0.00 0.08 -1.26 -5.11 117.98 115.21 1aw1 s PHE 76 Ca 0.46 -2.12 -0.33 0.00 0.12 0.00 0.00 56.93 55.06 1aw1 s PHE 76 Cb 0.02 -0.87 -0.14 0.00 -0.57 0.00 0.00 43.02 41.47 1aw1 s PHE 76 CO 0.02 -0.84 1.54 2.41 -0.10 0.00 0.00 175.22 178.24 1aw1 n THR 77 N 3.11 0.24 -0.98 0.64 -1.04 -1.26 -2.55 114.28 112.43 1aw1 n THR 77 Ca 0.26 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1aw1 n THR 77 Cb 0.46 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 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 3.09 0.74 3.89 3.41 0.00 -1.26 -5.03 105.19 110.02 1aw1 n GLY 78 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.53 6.39 -0.21 1.61 1.11 -1.06 -5.07 116.67 116.92 1aw1 s ASP 79 Ca 0.00 1.01 -0.14 0.00 0.18 0.00 0.00 52.55 53.61 1aw1 s ASP 79 Cb 0.00 -2.28 -0.04 0.00 1.07 0.00 0.00 42.92 41.67 1aw1 s ASP 79 CO 0.00 -0.48 0.31 -0.04 1.18 0.00 0.00 175.17 176.14 1aw1 s MET 80 N -4.26 4.16 -0.18 8.23 -1.94 -1.26 -5.00 119.30 119.04 1aw1 s MET 80 Ca 0.49 0.04 -0.03 0.00 -1.71 0.00 0.00 55.69 54.47 1aw1 s MET 80 Cb -0.10 -3.52 -0.02 0.00 2.01 0.00 0.00 34.83 33.20 1aw1 s MET 80 CO 0.38 0.04 -0.06 0.45 -0.01 0.00 0.00 175.02 175.82 1aw1 s SER 81 N 0.95 4.39 0.39 3.03 0.15 -1.26 -1.73 113.70 119.61 1aw1 s SER 81 Ca 0.15 -0.30 0.11 0.00 0.70 0.00 0.00 55.95 56.60 1aw1 s SER 81 Cb -0.14 -1.73 0.89 0.00 -1.71 0.00 0.00 66.02 63.34 1aw1 s SER 81 CO 0.06 0.07 1.92 -0.65 1.20 0.00 0.00 173.24 175.84 1aw1 h PRO 82 N 7.44 0.57 -0.19 5.44 0.11 -1.86 -1.06 132.00 142.46 1aw1 h PRO 82 Ca -0.35 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.61 1aw1 h PRO 82 Cb 1.18 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1aw1 h PRO 82 CO 0.60 0.38 -0.37 0.00 -0.21 0.00 0.00 178.00 178.40 1aw1 h ALA 83 N 1.62 1.00 -0.14 -0.75 0.00 -1.88 -1.20 119.26 117.92 1aw1 h ALA 83 Ca 0.38 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1aw1 h ALA 83 Cb 0.64 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1aw1 h ALA 83 CO -0.14 0.61 -0.68 0.52 0.00 0.00 0.00 179.25 179.56 1aw1 h MET 84 N 0.36 0.58 -0.43 0.00 2.86 -1.53 -3.00 114.93 113.76 1aw1 h MET 84 Ca 0.04 -0.43 -0.02 0.00 -2.06 0.00 0.00 59.70 57.23 1aw1 h MET 84 Cb 0.82 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1aw1 h MET 84 CO 0.07 1.05 0.21 -0.07 1.06 0.00 0.00 176.91 179.23 1aw1 h LEU 85 N 0.41 0.56 -2.55 1.22 3.38 -1.03 -2.60 115.31 114.71 1aw1 h LEU 85 Ca -0.02 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1aw1 h LEU 85 Cb 1.26 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1aw1 h LEU 85 CO 0.13 0.53 0.09 0.11 0.09 0.00 0.00 178.44 179.39 1aw1 h LYS 86 N 0.55 0.00 0.00 1.13 1.57 -1.11 -0.62 116.57 118.09 1aw1 h LYS 86 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1aw1 h LYS 86 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1aw1 h LYS 86 CO -0.02 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.79 1aw1 h GLU 87 N 0.00 0.00 -0.30 3.15 5.08 -1.33 -2.95 114.58 118.23 1aw1 h GLU 87 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1aw1 h GLU 87 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1aw1 h GLU 87 CO -0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 1aw1 n PHE 88 N -2.85 0.38 -0.99 4.33 3.72 -0.25 -4.96 117.46 116.84 1aw1 n PHE 88 Ca 0.02 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1aw1 n PHE 88 Cb 0.36 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 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 1.41 0.65 3.73 1.37 0.00 -1.11 -4.80 105.19 106.44 1aw1 n GLY 89 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.64 3.62 0.00 4.61 0.00 -1.13 -4.62 121.76 121.60 1aw1 s ALA 90 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1aw1 s ALA 90 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1aw1 s ALA 90 CO 0.00 -0.65 0.00 0.25 0.00 0.00 0.00 175.76 175.36 1aw1 n THR 91 N 3.38 0.00 -3.36 0.00 -2.24 0.94 -4.35 114.28 108.65 1aw1 n THR 91 Ca 0.10 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 1aw1 n THR 91 Cb 0.41 -0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.69 3.21 -0.23 4.78 3.76 -1.21 -0.33 115.29 123.57 1aw1 s HIS 92 Ca 0.00 0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.98 1aw1 s HIS 92 Cb 0.00 -2.72 0.02 0.00 1.11 0.00 0.00 32.58 30.99 1aw1 s HIS 92 CO 0.00 -0.44 -0.09 0.42 -0.85 0.00 0.00 174.74 173.78 1aw1 s ILE 93 N 2.12 2.71 0.15 0.60 -1.09 -0.27 -1.46 121.20 123.97 1aw1 s ILE 93 Ca 0.14 -0.98 -0.30 0.00 -2.23 0.00 0.00 60.65 57.27 1aw1 s ILE 93 Cb -0.16 -2.33 -0.08 0.00 -1.58 0.00 0.00 42.46 38.31 1aw1 s ILE 93 CO 0.12 0.28 1.27 -0.63 -1.23 0.00 0.00 174.94 174.75 1aw1 s ILE 94 N 1.32 3.49 0.00 2.92 1.01 -0.30 -1.70 121.20 127.94 1aw1 s ILE 94 Ca 0.01 1.17 -0.02 0.00 0.00 0.00 0.00 60.65 61.81 1aw1 s ILE 94 Cb -0.16 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1aw1 s ILE 94 CO -0.06 0.15 0.03 0.27 0.00 0.00 0.00 174.94 175.32 1aw1 s ILE 95 N 0.43 0.06 0.00 2.92 -4.36 -0.87 -2.83 121.20 116.55 1aw1 s ILE 95 Ca 0.57 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 60.45 1aw1 s ILE 95 Cb -0.34 -0.22 0.00 0.00 1.25 0.00 0.00 42.46 43.15 1aw1 s ILE 95 CO 0.34 -0.28 0.00 0.61 0.24 0.00 0.00 174.94 175.85 1aw1 n GLY 96 N 2.15 0.50 3.60 6.27 0.00 -1.26 -1.89 105.19 114.56 1aw1 n GLY 96 Ca -0.19 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.97 0.75 0.03 1.61 -0.00 -1.26 -4.59 115.22 108.78 1aw1 n HIS 97 Ca 0.00 0.46 0.04 0.00 0.46 0.00 0.00 57.72 58.68 1aw1 n HIS 97 Cb 0.00 -2.14 0.44 0.00 -0.12 0.00 0.00 29.99 28.16 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 0.74 0.42 -0.71 0.26 4.64 -1.94 -0.74 113.55 116.21 1aw1 h SER 98 Ca -0.47 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1aw1 h SER 98 Cb 1.36 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 1aw1 h SER 98 CO 0.52 0.32 0.33 -0.33 -0.87 0.00 0.00 176.83 176.80 1aw1 h GLU 99 N 0.49 1.04 0.06 4.77 5.08 -1.98 0.22 114.58 124.26 1aw1 h GLU 99 Ca 0.13 -0.15 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 1aw1 h GLU 99 Cb -0.01 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.07 1aw1 h GLU 99 CO -0.02 0.82 -0.95 0.00 -1.00 0.00 0.00 179.01 177.85 1aw1 h ARG 100 N 1.03 0.54 -0.13 2.33 3.08 -1.71 0.35 114.38 119.88 1aw1 h ARG 100 Ca 0.25 -0.66 0.03 0.00 0.07 0.00 0.00 59.98 59.66 1aw1 h ARG 100 Cb 0.13 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1aw1 h ARG 100 CO -0.03 1.27 0.09 0.00 -1.07 0.00 0.00 179.97 180.23 1aw1 h ARG 101 N 0.10 0.05 0.00 0.04 3.08 -0.87 -0.22 114.38 116.56 1aw1 h ARG 101 Ca -0.14 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 1aw1 h ARG 101 Cb 1.65 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.68 1aw1 h ARG 101 CO 0.18 0.04 -0.95 -1.91 -1.07 0.00 0.00 179.97 176.26 1aw1 n GLU 102 N -4.51 0.50 0.19 0.04 2.13 0.75 -3.32 120.64 116.43 1aw1 n GLU 102 Ca -0.00 0.46 0.04 0.00 0.66 0.00 0.00 57.16 58.32 1aw1 n GLU 102 Cb 0.17 -1.64 0.38 0.00 0.27 0.00 0.00 31.44 30.62 1aw1 n GLU 102 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1aw1 h TYR 103 N -1.00 0.00 -0.16 4.31 0.05 -0.34 -3.24 116.97 116.60 1aw1 h TYR 103 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1aw1 h TYR 103 Cb 0.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.62 1aw1 h TYR 103 CO -0.17 0.37 0.00 0.72 -1.05 0.00 0.00 178.16 178.03 1aw1 n HIS 104 N -3.81 0.21 -3.92 4.88 8.25 -0.12 -5.01 115.22 115.70 1aw1 n HIS 104 Ca -0.01 -0.33 -0.29 0.00 -0.26 0.00 0.00 57.72 56.82 1aw1 n HIS 104 Cb 0.44 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.53 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 0.26 -2.20 -2.66 -1.41 0.00 -1.03 -4.91 120.51 108.56 1aw1 n ALA 105 Ca 0.07 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 1aw1 n ALA 105 Cb 0.31 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 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 -6.55 4.24 0.72 0.00 2.02 -1.18 -5.00 118.70 112.95 1aw1 s GLU 106 Ca 0.17 1.10 -0.07 0.00 0.02 0.00 0.00 54.97 56.18 1aw1 s GLU 106 Cb -0.07 -3.62 0.07 0.00 0.10 0.00 0.00 34.13 30.61 1aw1 s GLU 106 CO 0.90 -0.50 1.04 -1.54 0.02 0.00 0.00 175.26 175.18 1aw1 s SER 107 N 1.25 4.70 0.30 -0.19 1.04 -1.26 -4.57 113.70 114.97 1aw1 s SER 107 Ca 0.39 0.44 0.02 0.00 0.48 0.00 0.00 55.95 57.28 1aw1 s SER 107 Cb -0.16 -1.05 0.48 0.00 0.10 0.00 0.00 66.02 65.40 1aw1 s SER 107 CO 0.09 -1.68 1.82 0.44 0.98 0.00 0.00 173.24 174.88 1aw1 h ASP 108 N -0.68 0.60 -0.58 7.02 3.32 -1.96 -0.50 116.42 123.64 1aw1 h ASP 108 Ca -0.44 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.37 1aw1 h ASP 108 Cb 1.31 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1aw1 h ASP 108 CO 0.59 0.68 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.42 1aw1 h GLU 109 N 0.60 1.05 -0.12 3.56 3.07 -1.93 0.17 114.58 120.98 1aw1 h GLU 109 Ca 0.12 -0.35 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 1aw1 h GLU 109 Cb 0.39 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1aw1 h GLU 109 CO 0.02 1.05 -0.04 0.35 -1.40 0.00 0.00 179.01 178.98 1aw1 h PHE 110 N 0.94 0.27 -0.64 4.33 3.57 -1.84 -1.62 116.94 121.95 1aw1 h PHE 110 Ca 0.16 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1aw1 h PHE 110 Cb 0.60 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1aw1 h PHE 110 CO 0.04 0.56 0.42 0.28 -2.23 0.00 0.00 178.31 177.38 1aw1 h VAL 111 N -0.10 1.15 -0.17 1.41 2.07 -0.94 -1.21 116.25 118.45 1aw1 h VAL 111 Ca 0.03 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1aw1 h VAL 111 Cb 0.48 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1aw1 h VAL 111 CO 0.01 0.15 -0.11 0.00 0.02 0.00 0.00 177.57 177.65 1aw1 h ALA 112 N 1.24 1.49 -0.63 1.67 0.00 -0.59 -1.37 119.26 121.08 1aw1 h ALA 112 Ca 0.24 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1aw1 h ALA 112 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1aw1 h ALA 112 CO -0.06 0.36 0.06 0.87 0.00 0.00 0.00 179.25 180.48 1aw1 h LYS 113 N 0.26 1.05 -0.11 0.00 1.57 -0.24 -1.91 116.57 117.19 1aw1 h LYS 113 Ca 0.05 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1aw1 h LYS 113 Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1aw1 h LYS 113 CO 0.02 0.99 -0.15 0.87 -0.57 0.00 0.00 179.45 180.61 1aw1 h LYS 114 N 0.98 0.17 -0.43 3.15 1.57 -0.38 -2.19 116.57 119.44 1aw1 h LYS 114 Ca 0.19 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1aw1 h LYS 114 Cb 0.48 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1aw1 h LYS 114 CO 0.02 0.33 0.07 0.35 -0.57 0.00 0.00 179.45 179.66 1aw1 h PHE 115 N 0.16 0.76 -0.44 -1.35 3.04 -0.54 -1.74 116.94 116.82 1aw1 h PHE 115 Ca 0.03 -0.10 -0.12 0.00 3.98 0.00 0.00 57.97 61.76 1aw1 h PHE 115 Cb 0.38 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 1aw1 h PHE 115 CO 0.00 0.73 -0.18 0.00 -2.02 0.00 0.00 178.31 176.84 1aw1 h ALA 116 N 0.94 0.62 -0.51 2.41 0.00 -1.18 -1.78 119.26 119.76 1aw1 h ALA 116 Ca 0.13 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1aw1 h ALA 116 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1aw1 h ALA 116 CO 0.01 0.57 -0.03 0.35 0.00 0.00 0.00 179.25 180.15 1aw1 h PHE 117 N 0.74 0.96 0.07 0.00 3.57 -1.32 0.16 116.94 121.12 1aw1 h PHE 117 Ca 0.10 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1aw1 h PHE 117 Cb 0.74 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1aw1 h PHE 117 CO 0.05 0.89 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.92 1aw1 h LEU 118 N 0.82 -0.08 -0.32 0.59 3.38 -1.20 -0.94 115.31 117.56 1aw1 h LEU 118 Ca 0.15 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1aw1 h LEU 118 Cb 0.53 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1aw1 h LEU 118 CO 0.03 0.09 0.03 0.11 0.09 0.00 0.00 178.44 178.79 1aw1 h LYS 119 N -0.26 0.13 -0.79 1.13 1.79 -1.05 0.11 116.57 117.63 1aw1 h LYS 119 Ca -0.01 -0.01 0.18 0.00 -2.18 0.00 0.00 60.65 58.63 1aw1 h LYS 119 Cb 0.22 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.79 1aw1 h LYS 119 CO 0.02 0.08 0.54 0.93 -1.08 0.00 0.00 179.45 179.94 1aw1 h GLU 120 N 0.13 0.30 -0.10 3.15 5.08 -0.28 0.66 114.58 123.53 1aw1 h GLU 120 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1aw1 h GLU 120 Cb 0.19 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1aw1 h GLU 120 CO -0.23 0.20 0.00 0.09 -1.00 0.00 0.00 179.01 178.07 1aw1 n ASN 121 N -4.45 1.47 0.00 1.42 4.13 0.31 -4.93 115.26 113.21 1aw1 n ASN 121 Ca 0.16 -1.59 0.00 0.00 1.68 0.00 0.00 54.58 54.83 1aw1 n ASN 121 Cb 0.65 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 1aw1 n ASN 121 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aw1 n GLY 122 N 1.13 0.45 3.99 7.41 0.00 0.22 -5.04 105.19 113.35 1aw1 n GLY 122 Ca 0.17 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 3.84 -0.41 0.99 1.43 -0.89 -5.02 118.68 118.62 1aw1 s LEU 123 Ca 0.00 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1aw1 s LEU 123 Cb 0.00 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.45 1aw1 s LEU 123 CO 0.00 -0.56 0.26 -0.89 0.23 0.00 0.00 176.35 175.40 1aw1 s THR 124 N -2.29 4.58 0.34 5.49 2.01 0.55 -4.20 115.64 122.12 1aw1 s THR 124 Ca 0.47 -1.10 -0.27 0.00 0.31 0.00 0.00 61.69 61.11 1aw1 s THR 124 Cb -0.10 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 1aw1 s THR 124 CO 0.33 -0.41 1.05 -2.16 -0.69 0.00 0.00 174.62 172.74 1aw1 s PRO 125 N 1.52 4.43 -0.49 4.92 0.04 -1.26 -1.11 135.00 143.05 1aw1 s PRO 125 Ca 0.03 1.60 -0.00 0.00 0.04 0.00 0.00 61.00 62.66 1aw1 s PRO 125 Cb -0.22 -2.86 0.13 0.00 0.04 0.00 0.00 34.50 31.60 1aw1 s PRO 125 CO 0.05 0.08 0.27 0.08 0.04 0.00 0.00 177.00 177.52 1aw1 s VAL 126 N -1.44 3.12 -0.23 -0.36 1.01 -0.69 -1.54 120.40 120.28 1aw1 s VAL 126 Ca 0.51 -2.68 -0.29 0.00 0.00 0.00 0.00 61.98 59.52 1aw1 s VAL 126 Cb -0.26 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1aw1 s VAL 126 CO 0.32 -0.76 1.13 -0.22 0.00 0.00 0.00 175.10 175.57 1aw1 s LEU 127 N 0.39 4.09 -0.05 3.92 0.20 0.62 -2.05 118.68 125.78 1aw1 s LEU 127 Ca 0.13 1.42 -0.14 0.00 0.69 0.00 0.00 54.13 56.23 1aw1 s LEU 127 Cb -0.22 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 41.95 1aw1 s LEU 127 CO -0.04 -0.75 0.37 0.00 -0.29 0.00 0.00 176.35 175.64 1aw1 s ILE 129 N -0.60 0.18 0.00 0.00 -4.36 -0.82 -4.72 121.20 110.88 1aw1 s ILE 129 Ca 0.22 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 1aw1 s ILE 129 Cb -0.15 -1.16 0.00 0.00 1.25 0.00 0.00 42.46 42.40 1aw1 s ILE 129 CO 0.10 -0.80 0.00 0.61 0.24 0.00 0.00 174.94 175.10 1aw1 n GLY 130 N 0.48 2.28 3.96 6.27 0.00 -1.26 -0.66 105.19 116.27 1aw1 n GLY 130 Ca -0.17 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 3.44 0.63 1.61 1.03 -1.26 -4.76 118.70 117.38 1aw1 s GLU 131 Ca 0.00 -0.71 -0.02 0.00 0.03 0.00 0.00 54.97 54.27 1aw1 s GLU 131 Cb 0.00 -2.91 0.06 0.00 -0.80 0.00 0.00 34.13 30.47 1aw1 s GLU 131 CO 0.00 0.46 0.89 -1.54 -1.33 0.00 0.00 175.26 173.73 1aw1 s SER 132 N -3.75 4.98 0.24 0.83 1.04 -1.26 -1.73 113.70 114.05 1aw1 s SER 132 Ca 0.34 0.10 -0.06 0.00 0.48 0.00 0.00 55.95 56.81 1aw1 s SER 132 Cb -0.10 -0.84 0.42 0.00 0.10 0.00 0.00 66.02 65.61 1aw1 s SER 132 CO 0.29 -1.40 1.70 -0.78 0.98 0.00 0.00 173.24 174.03 1aw1 h ASP 133 N -0.24 0.06 -0.21 7.02 3.58 -1.97 0.13 116.42 124.79 1aw1 h ASP 133 Ca -0.42 0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.09 1aw1 h ASP 133 Cb 1.30 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.51 1aw1 h ASP 133 CO 0.53 0.00 -0.13 0.00 -2.88 0.00 0.00 179.24 176.76 1aw1 h ALA 134 N 1.56 0.29 -0.95 -0.78 0.00 -1.98 -1.05 119.26 116.36 1aw1 h ALA 134 Ca 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1aw1 h ALA 134 Cb 0.63 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1aw1 h ALA 134 CO -0.46 0.16 0.60 1.96 0.00 0.00 0.00 179.25 181.51 1aw1 h GLN 135 N 0.14 1.26 0.77 0.00 4.20 -1.82 0.38 115.11 120.04 1aw1 h GLN 135 Ca 0.04 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1aw1 h GLN 135 Cb 0.64 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1aw1 h GLN 135 CO 0.04 0.86 -0.45 -0.97 -0.67 0.00 0.00 178.83 177.63 1aw1 h ASN 136 N 1.29 -1.12 -0.95 1.46 -0.00 -0.72 0.47 115.58 116.02 1aw1 h ASN 136 Ca 0.34 0.06 0.06 0.00 -0.00 0.00 0.00 56.30 56.76 1aw1 h ASN 136 Cb -0.11 0.32 -0.06 0.00 -0.00 0.00 0.00 38.32 38.47 1aw1 h ASN 136 CO -0.07 -0.71 0.61 -0.33 -0.00 0.00 0.00 177.43 176.94 1aw1 h GLU 137 N -1.14 1.07 0.00 6.67 5.08 -0.73 0.20 114.58 125.74 1aw1 h GLU 137 Ca -0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1aw1 h GLU 137 Cb 0.91 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1aw1 h GLU 137 CO 0.12 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.84 1aw1 n ALA 138 N -2.38 2.40 -2.57 3.43 0.00 0.13 -4.88 120.51 116.65 1aw1 n ALA 138 Ca 0.14 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1aw1 n ALA 138 Cb 0.18 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.30 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 0.51 -0.11 1.15 0.00 0.00 0.71 -4.95 105.19 102.50 1aw1 n GLY 139 Ca 0.16 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.62 3.07 -0.37 1.61 -0.58 0.16 -4.78 120.64 117.14 1aw1 n GLU 140 Ca -0.10 -2.55 -0.05 0.00 -0.42 0.00 0.00 57.16 54.04 1aw1 n GLU 140 Cb 0.59 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.87 1aw1 n GLU 140 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1aw1 h THR 141 N 3.30 0.02 0.00 2.62 2.02 -1.85 0.96 112.91 119.97 1aw1 h THR 141 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1aw1 h THR 141 Cb 1.07 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1aw1 h THR 141 CO 0.08 0.00 -0.35 0.24 0.37 0.00 0.00 175.52 175.86 1aw1 h MET 142 N -0.03 0.00 -0.02 6.66 2.86 -1.96 -1.47 114.93 120.97 1aw1 h MET 142 Ca 0.27 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1aw1 h MET 142 Cb 0.54 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1aw1 h MET 142 CO -0.93 0.35 0.01 0.00 1.06 0.00 0.00 176.91 177.39 1aw1 h ALA 143 N 1.65 0.02 -0.04 6.32 0.00 -1.22 0.20 119.26 126.20 1aw1 h ALA 143 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1aw1 h ALA 143 Cb 0.82 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1aw1 h ALA 143 CO 0.05 -0.38 0.02 0.28 0.00 0.00 0.00 179.25 179.21 1aw1 h VAL 144 N -0.15 1.11 0.53 0.00 2.07 -1.05 -1.49 116.25 117.26 1aw1 h VAL 144 Ca 0.01 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1aw1 h VAL 144 Cb 0.19 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1aw1 h VAL 144 CO -0.00 0.09 -0.29 0.00 0.02 0.00 0.00 177.57 177.39 1aw1 h ALA 146 N -0.32 1.75 -0.13 0.00 0.00 -0.59 -1.11 119.26 118.86 1aw1 h ALA 146 Ca -0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1aw1 h ALA 146 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1aw1 h ALA 146 CO 0.09 -0.03 0.04 -0.09 0.00 0.00 0.00 179.25 179.27 1aw1 h ARG 147 N 0.76 0.21 -0.28 0.00 2.43 -0.54 0.55 114.38 117.51 1aw1 h ARG 147 Ca 0.49 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.54 1aw1 h ARG 147 Cb 0.73 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1aw1 h ARG 147 CO -0.25 0.34 -0.13 1.96 -1.51 0.00 0.00 179.97 180.38 1aw1 h GLN 148 N 0.03 0.48 -0.12 0.20 4.20 0.19 -2.72 115.11 117.37 1aw1 h GLN 148 Ca 0.04 -0.14 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 1aw1 h GLN 148 Cb 0.22 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1aw1 h GLN 148 CO -0.00 0.61 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.36 1aw1 h LEU 149 N 0.45 0.51 -2.31 1.46 3.38 -1.14 -3.16 115.31 114.50 1aw1 h LEU 149 Ca 0.08 -0.59 0.04 0.00 0.09 0.00 0.00 57.88 57.50 1aw1 h LEU 149 Cb 0.49 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1aw1 h LEU 149 CO 0.03 1.01 0.18 0.44 0.09 0.00 0.00 178.44 180.19 1aw1 h ASP 150 N 0.04 0.00 -0.26 -0.43 3.32 -0.77 -0.01 116.42 118.30 1aw1 h ASP 150 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1aw1 h ASP 150 Cb 0.95 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1aw1 h ASP 150 CO 0.07 0.00 0.12 0.00 -1.72 0.00 0.00 179.24 177.71 1aw1 h ALA 151 N 1.76 1.64 0.04 3.45 0.00 -1.44 0.37 119.26 125.07 1aw1 h ALA 151 Ca 0.06 -0.09 -0.37 0.00 0.00 0.00 0.00 54.91 54.51 1aw1 h ALA 151 Cb 0.43 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1aw1 h ALA 151 CO -0.00 0.29 -2.24 1.33 0.00 0.00 0.00 179.25 178.62 1aw1 n VAL 152 N -4.41 1.59 -0.05 0.00 0.24 -0.11 -3.99 118.33 111.60 1aw1 n VAL 152 Ca 0.01 -0.65 -0.10 0.00 -2.04 0.00 0.00 64.34 61.56 1aw1 n VAL 152 Cb 0.13 -1.38 -0.03 0.00 -1.47 0.00 0.00 33.84 31.09 1aw1 n VAL 152 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1aw1 h ILE 153 N 0.02 1.07 0.00 1.34 2.04 -1.24 0.45 117.51 121.19 1aw1 h ILE 153 Ca -0.50 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1aw1 h ILE 153 Cb 2.00 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1aw1 h ILE 153 CO -0.00 0.06 -0.13 0.78 0.00 0.00 0.00 178.15 178.86 1aw1 h ASN 154 N 0.28 0.00 0.00 1.72 2.35 -1.14 0.21 115.58 119.00 1aw1 h ASN 154 Ca 0.08 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1aw1 h ASN 154 Cb -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1aw1 h ASN 154 CO -0.02 0.13 -1.95 0.35 -1.65 0.00 0.00 177.43 174.30 1aw1 n THR 155 N -3.27 0.22 0.00 2.81 -2.24 -1.09 -4.72 114.28 105.98 1aw1 n THR 155 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1aw1 n THR 155 Cb 0.39 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1aw1 n THR 155 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aw1 n GLN 156 N -2.26 1.53 0.00 -0.78 6.02 0.16 -5.09 117.38 116.96 1aw1 n GLN 156 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1aw1 n GLN 156 Cb 0.61 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 30.91 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 2.46 2.39 0.43 1.08 0.00 0.74 -4.60 105.19 107.69 1aw1 n GLY 157 Ca 0.00 -1.61 0.23 0.00 0.00 0.00 0.00 46.02 44.64 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 0.61 0.00 1.61 -1.51 -1.90 0.32 116.25 115.39 1aw1 h VAL 158 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1aw1 h VAL 158 Cb 0.00 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 29.53 1aw1 h VAL 158 CO 0.00 0.04 0.00 -1.84 -1.23 0.00 0.00 177.57 174.54 1aw1 n GLU 159 N -4.41 0.05 0.24 5.19 0.00 -1.26 -1.76 120.64 118.69 1aw1 n GLU 159 Ca 0.19 0.39 0.10 0.00 0.00 0.00 0.00 57.16 57.84 1aw1 n GLU 159 Cb 0.82 -1.62 0.61 0.00 0.00 0.00 0.00 31.44 31.25 1aw1 n GLU 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1aw1 h ALA 160 N 2.27 1.27 0.00 -1.84 0.00 -1.18 -2.37 119.26 117.41 1aw1 h ALA 160 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1aw1 h ALA 160 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1aw1 h ALA 160 CO 0.00 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1aw1 n LEU 161 N -3.70 0.23 -4.67 0.00 4.77 -0.72 -4.70 117.00 108.21 1aw1 n LEU 161 Ca -0.01 0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 56.08 1aw1 n LEU 161 Cb 0.30 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1aw1 n LEU 161 CO 0.32 -0.17 1.35 -0.70 -1.33 0.00 0.00 177.39 176.87 1aw1 s GLU 162 N -3.06 4.19 0.00 3.23 2.12 -0.90 -1.59 118.70 122.70 1aw1 s GLU 162 Ca 0.10 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.67 1aw1 s GLU 162 Cb 0.14 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1aw1 s GLU 162 CO 0.45 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.78 1aw1 n GLY 163 N 4.08 0.57 3.67 -1.50 0.00 -1.26 -5.05 105.19 105.70 1aw1 n GLY 163 Ca 0.17 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.22 -0.00 4.61 0.00 -0.62 -4.60 121.76 122.36 1aw1 s ALA 164 Ca 0.00 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 50.44 1aw1 s ALA 164 Cb 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1aw1 s ALA 164 CO 0.00 0.28 -0.24 0.42 0.00 0.00 0.00 175.76 176.22 1aw1 s ILE 165 N -2.25 2.28 -0.10 0.00 1.01 -0.59 -4.13 121.20 117.42 1aw1 s ILE 165 Ca 0.31 -1.12 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1aw1 s ILE 165 Cb -0.07 -1.84 -0.00 0.00 0.01 0.00 0.00 42.46 40.56 1aw1 s ILE 165 CO 0.20 0.51 -0.22 -0.63 0.00 0.00 0.00 174.94 174.81 1aw1 s ILE 166 N -0.70 2.26 -0.26 2.92 1.01 -0.79 -0.28 121.20 125.36 1aw1 s ILE 166 Ca 0.11 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 1aw1 s ILE 166 Cb -0.10 -1.88 0.04 0.00 0.01 0.00 0.00 42.46 40.53 1aw1 s ILE 166 CO 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 174.94 175.43 1aw1 s ALA 167 N 0.32 2.66 -0.23 9.38 0.00 0.33 0.11 121.76 134.33 1aw1 s ALA 167 Ca -0.17 -1.59 -0.25 0.00 0.00 0.00 0.00 51.96 49.94 1aw1 s ALA 167 Cb -0.17 -1.68 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 1aw1 s ALA 167 CO 0.08 -0.99 0.86 -0.47 0.00 0.00 0.00 175.76 175.25 1aw1 s TYR 168 N 1.24 3.33 -0.22 0.00 5.04 0.13 -1.94 117.35 124.93 1aw1 s TYR 168 Ca -0.03 1.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.81 1aw1 s TYR 168 Cb -0.18 -3.08 0.06 0.00 0.35 0.00 0.00 41.96 39.11 1aw1 s TYR 168 CO -0.05 -0.39 -0.04 -1.21 -1.34 0.00 0.00 175.55 172.52 1aw1 s GLU 169 N 2.80 1.49 -0.40 4.97 2.02 0.17 -0.01 118.70 129.74 1aw1 s GLU 169 Ca 0.37 -0.88 -0.28 0.00 0.02 0.00 0.00 54.97 54.20 1aw1 s GLU 169 Cb -0.15 -2.49 -0.01 0.00 0.10 0.00 0.00 34.13 31.58 1aw1 s GLU 169 CO 0.08 -0.59 1.72 -2.14 0.02 0.00 0.00 175.26 174.34 1aw1 s PRO 170 N 1.47 3.26 0.30 0.39 0.02 -1.26 -4.05 135.00 135.13 1aw1 s PRO 170 Ca -0.05 1.16 -0.02 0.00 0.02 0.00 0.00 61.00 62.10 1aw1 s PRO 170 Cb -0.18 -4.19 0.63 0.00 0.02 0.00 0.00 34.50 30.78 1aw1 s PRO 170 CO -0.07 -1.95 1.56 -0.89 -0.33 0.00 0.00 177.00 175.33 1aw1 n ILE 171 N 7.29 -0.42 0.25 2.83 5.41 -0.70 0.12 119.36 134.13 1aw1 n ILE 171 Ca 0.21 2.24 0.03 0.00 1.00 0.00 0.00 62.75 66.22 1aw1 n ILE 171 Cb 0.48 -3.19 0.13 0.00 -0.71 0.00 0.00 39.64 36.35 1aw1 n ILE 171 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 176.55 173.88 1aw1 n TRP 172 N -5.56 0.00 0.45 1.39 4.27 -1.26 -1.73 117.44 114.99 1aw1 n TRP 172 Ca 0.20 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.92 1aw1 n TRP 172 Cb 0.65 -0.27 -0.09 0.00 -1.36 0.00 0.00 31.31 30.24 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 -1.27 3.52 -2.49 -1.67 0.00 0.32 -4.60 120.51 114.31 1aw1 n ALA 173 Ca 0.02 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 1aw1 n ALA 173 Cb 0.04 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 -3.27 4.30 0.00 0.00 1.01 -0.71 -2.93 121.20 119.59 1aw1 s ILE 174 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.28 1aw1 s ILE 174 Cb 0.14 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1aw1 s ILE 174 CO 0.86 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.46 1aw1 n GLY 175 N 3.26 0.34 0.15 6.18 0.00 -1.26 -4.74 105.19 109.11 1aw1 n GLY 175 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1aw1 n GLY 175 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1aw1 h THR 176 N 0.00 0.00 0.00 2.61 1.35 -1.81 -3.47 112.91 111.59 1aw1 h THR 176 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1aw1 h THR 176 Cb 0.00 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1aw1 h THR 176 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1aw1 n GLY 177 N 0.61 2.96 3.47 5.82 0.00 -1.26 -4.96 105.19 111.82 1aw1 n GLY 177 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.19 3.24 0.20 1.61 2.36 -1.26 -4.92 119.74 120.78 1aw1 s LYS 178 Ca 0.00 -0.98 -0.14 0.00 -2.55 0.00 0.00 55.97 52.30 1aw1 s LYS 178 Cb 0.00 -4.43 -0.07 0.00 -1.05 0.00 0.00 37.83 32.27 1aw1 s LYS 178 CO 0.00 -1.86 0.60 0.00 1.55 0.00 0.00 175.35 175.64 1aw1 s ALA 179 N 3.99 3.52 0.96 3.13 0.00 -1.26 -4.08 121.76 128.02 1aw1 s ALA 179 Ca 0.27 -0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 1aw1 s ALA 179 Cb -0.13 -2.57 0.17 0.00 0.00 0.00 0.00 23.12 20.59 1aw1 s ALA 179 CO 0.05 0.44 1.09 0.00 0.00 0.00 0.00 175.76 177.34 1aw1 s ALA 180 N -1.64 1.05 0.44 0.00 0.00 -1.26 -4.98 121.76 115.37 1aw1 s ALA 180 Ca 0.43 0.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 1aw1 s ALA 180 Cb -0.14 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 1aw1 s ALA 180 CO 0.20 -2.83 0.86 0.95 0.00 0.00 0.00 175.76 174.93 1aw1 s THR 181 N -2.72 4.67 0.55 0.00 -4.23 -1.26 -4.90 115.64 107.76 1aw1 s THR 181 Ca 0.66 0.90 0.23 0.00 -1.18 0.00 0.00 61.69 62.30 1aw1 s THR 181 Cb -0.21 -3.72 0.32 0.00 1.34 0.00 0.00 72.50 70.23 1aw1 s THR 181 CO 0.59 -0.56 2.17 0.00 -0.54 0.00 0.00 174.62 176.28 1aw1 h ALA 182 N 1.20 1.86 -0.10 3.99 0.00 -1.94 -0.85 119.26 123.43 1aw1 h ALA 182 Ca -0.47 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 1aw1 h ALA 182 Cb 1.19 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1aw1 h ALA 182 CO 0.63 -0.10 -0.72 0.93 0.00 0.00 0.00 179.25 179.99 1aw1 h GLU 183 N 0.00 0.66 -0.30 0.00 3.07 -1.92 -0.21 114.58 115.88 1aw1 h GLU 183 Ca 0.03 -0.58 -0.15 0.00 -0.50 0.00 0.00 59.36 58.16 1aw1 h GLU 183 Cb 0.16 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1aw1 h GLU 183 CO -0.00 1.19 -0.43 -0.44 -1.40 0.00 0.00 179.01 177.93 1aw1 h ASP 184 N 0.32 0.80 -0.22 1.42 3.32 -1.85 -1.60 116.42 118.61 1aw1 h ASP 184 Ca -0.06 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 1aw1 h ASP 184 Cb 1.37 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1aw1 h ASP 184 CO 0.15 1.12 0.12 0.00 -1.72 0.00 0.00 179.24 178.91 1aw1 h ALA 185 N 0.91 0.28 -0.60 3.45 0.00 -1.15 -1.63 119.26 120.52 1aw1 h ALA 185 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1aw1 h ALA 185 Cb 0.99 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1aw1 h ALA 185 CO 0.09 -0.20 0.38 0.37 0.00 0.00 0.00 179.25 179.89 1aw1 h GLN 186 N 0.25 0.79 -0.66 0.00 5.75 -0.92 -0.37 115.11 119.95 1aw1 h GLN 186 Ca 0.08 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.44 1aw1 h GLN 186 Cb 0.06 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 1aw1 h GLN 186 CO -0.01 0.54 0.09 -0.09 -2.65 0.00 0.00 178.83 176.71 1aw1 h ARG 187 N 0.81 1.11 -0.05 1.69 2.43 -0.84 -1.71 114.38 117.82 1aw1 h ARG 187 Ca 0.22 -0.30 -0.23 0.00 -0.81 0.00 0.00 59.98 58.85 1aw1 h ARG 187 Cb -0.06 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1aw1 h ARG 187 CO -0.04 1.02 -0.88 0.82 -1.51 0.00 0.00 179.97 179.37 1aw1 h ILE 188 N 1.03 1.34 -0.73 1.20 2.04 -0.51 -3.11 117.51 118.77 1aw1 h ILE 188 Ca 0.20 -2.22 -0.06 0.00 1.00 0.00 0.00 64.86 63.78 1aw1 h ILE 188 Cb 0.46 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1aw1 h ILE 188 CO 0.02 0.68 0.23 0.45 0.00 0.00 0.00 178.15 179.52 1aw1 h HIS 189 N 0.36 1.16 -0.34 1.37 3.86 -0.94 0.33 115.15 120.94 1aw1 h HIS 189 Ca -0.08 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 58.96 1aw1 h HIS 189 Cb 1.51 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 29.63 1aw1 h HIS 189 CO 0.07 0.92 -0.03 0.00 0.86 0.00 0.00 177.93 179.75 1aw1 h ALA 190 N 1.16 1.31 0.06 2.45 0.00 -1.36 0.10 119.26 122.99 1aw1 h ALA 190 Ca 0.24 -0.22 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 1aw1 h ALA 190 Cb 0.30 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1aw1 h ALA 190 CO -0.01 0.47 -1.11 1.96 0.00 0.00 0.00 179.25 180.56 1aw1 h GLN 191 N 0.52 0.49 -0.69 0.00 4.20 -1.38 0.64 115.11 118.89 1aw1 h GLN 191 Ca 0.11 -0.61 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 1aw1 h GLN 191 Cb 0.38 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 1aw1 h GLN 191 CO 0.02 1.24 0.36 0.82 -0.67 0.00 0.00 178.83 180.60 1aw1 h ILE 192 N 0.24 1.22 -0.53 2.54 2.04 -0.66 -0.96 117.51 121.40 1aw1 h ILE 192 Ca -0.13 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 1aw1 h ILE 192 Cb 1.77 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1aw1 h ILE 192 CO 0.20 0.25 -0.01 -0.09 0.00 0.00 0.00 178.15 178.50 1aw1 h ARG 193 N 0.96 0.94 -0.52 2.37 2.43 -0.69 -2.65 114.38 117.21 1aw1 h ARG 193 Ca 0.24 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1aw1 h ARG 193 Cb 0.07 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1aw1 h ARG 193 CO -0.04 0.96 0.25 0.00 -1.51 0.00 0.00 179.97 179.64 1aw1 h ALA 194 N 0.94 1.47 -0.57 2.80 0.00 -0.54 -0.72 119.26 122.63 1aw1 h ALA 194 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1aw1 h ALA 194 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1aw1 h ALA 194 CO 0.03 0.43 0.25 1.25 0.00 0.00 0.00 179.25 181.20 1aw1 h HIS 195 N 0.73 0.85 -0.30 0.00 -0.00 -0.84 -0.95 115.15 114.65 1aw1 h HIS 195 Ca 0.18 -0.05 -0.18 0.00 -0.00 0.00 0.00 60.37 60.32 1aw1 h HIS 195 Cb 0.07 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.22 1aw1 h HIS 195 CO 0.01 0.67 -0.52 0.82 -0.00 0.00 0.00 177.93 178.91 1aw1 h ILE 196 N 0.78 1.27 0.00 6.26 2.04 -1.24 -3.01 117.51 123.62 1aw1 h ILE 196 Ca 0.19 -1.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 1aw1 h ILE 196 Cb 0.17 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1aw1 h ILE 196 CO -0.02 0.56 -0.08 0.00 0.00 0.00 0.00 178.15 178.61 1aw1 h ALA 197 N 0.72 1.23 0.00 1.87 0.00 -0.77 0.22 119.26 122.53 1aw1 h ALA 197 Ca 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1aw1 h ALA 197 Cb 1.13 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1aw1 h ALA 197 CO 0.12 0.10 -0.14 1.49 0.00 0.00 0.00 179.25 180.82 1aw1 h GLU 198 N 0.00 0.00 0.00 0.00 4.57 -1.03 -3.08 114.58 115.03 1aw1 h GLU 198 Ca -0.00 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.80 1aw1 h GLU 198 Cb 0.29 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.81 1aw1 h GLU 198 CO 0.01 0.14 -2.42 1.63 -1.18 0.00 0.00 179.01 177.19 1aw1 n LYS 199 N -3.82 0.68 -3.65 1.92 5.02 0.09 -4.97 118.16 113.43 1aw1 n LYS 199 Ca -0.02 0.05 -0.04 0.00 -2.02 0.00 0.00 58.31 56.28 1aw1 n LYS 199 Cb 0.24 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 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 -5.89 -0.93 0.11 4.39 0.15 0.54 -5.00 113.70 107.08 1aw1 s SER 200 Ca -0.20 1.44 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1aw1 s SER 200 Cb 0.07 1.81 -0.18 0.00 -1.71 0.00 0.00 66.02 66.01 1aw1 s SER 200 CO 0.74 -0.23 1.25 -0.08 1.20 0.00 0.00 173.24 176.12 1aw1 h GLU 201 N 7.67 0.19 -0.00 5.44 4.81 -1.82 -2.08 114.58 128.78 1aw1 h GLU 201 Ca -0.22 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1aw1 h GLU 201 Cb 1.14 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1aw1 h GLU 201 CO 0.13 1.08 0.00 0.00 -0.73 0.00 0.00 179.01 179.50 1aw1 h ALA 202 N 0.80 0.00 0.29 2.92 0.00 -1.96 -0.22 119.26 121.10 1aw1 h ALA 202 Ca -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1aw1 h ALA 202 Cb 1.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1aw1 h ALA 202 CO 0.16 -0.42 -0.14 0.28 0.00 0.00 0.00 179.25 179.13 1aw1 h VAL 203 N -0.15 0.74 -0.85 0.00 2.07 -1.94 -3.03 116.25 113.09 1aw1 h VAL 203 Ca 0.00 -0.25 0.17 0.00 0.82 0.00 0.00 66.70 67.44 1aw1 h VAL 203 Cb 0.15 0.88 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 1aw1 h VAL 203 CO -0.00 0.05 0.41 0.00 0.02 0.00 0.00 177.57 178.06 1aw1 h ALA 204 N 0.14 1.31 0.00 1.67 0.00 -1.29 -0.84 119.26 120.24 1aw1 h ALA 204 Ca -0.04 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1aw1 h ALA 204 Cb 0.39 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1aw1 h ALA 204 CO 0.07 -0.17 -0.17 0.87 0.00 0.00 0.00 179.25 179.84 1aw1 h LYS 205 N 0.54 0.00 -0.00 0.00 1.79 -0.91 -3.21 116.57 114.78 1aw1 h LYS 205 Ca 0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 1aw1 h LYS 205 Cb 0.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1aw1 h LYS 205 CO -0.41 0.17 -0.70 0.09 -1.08 0.00 0.00 179.45 177.52 1aw1 n ASN 206 N -3.69 0.78 -4.72 0.86 4.13 -0.40 -4.78 115.26 107.44 1aw1 n ASN 206 Ca -0.02 -0.89 -0.42 0.00 1.68 0.00 0.00 54.58 54.94 1aw1 n ASN 206 Cb 0.29 0.97 -0.03 0.00 -1.54 0.00 0.00 39.78 39.47 1aw1 n ASN 206 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1aw1 s VAL 207 N -2.42 4.09 -0.31 2.41 0.11 -0.73 -4.95 120.40 118.61 1aw1 s VAL 207 Ca 0.06 1.56 -0.28 0.00 -2.93 0.00 0.00 61.98 60.39 1aw1 s VAL 207 Cb 0.12 -4.00 0.01 0.00 -1.53 0.00 0.00 36.38 30.98 1aw1 s VAL 207 CO 0.62 0.16 1.03 -0.69 -3.33 0.00 0.00 175.10 172.89 1aw1 s VAL 208 N 0.76 4.57 -0.28 2.04 1.01 -1.26 -5.02 120.40 122.22 1aw1 s VAL 208 Ca 0.56 1.71 -0.05 0.00 0.00 0.00 0.00 61.98 64.19 1aw1 s VAL 208 Cb -0.28 -4.37 0.01 0.00 0.00 0.00 0.00 36.38 31.74 1aw1 s VAL 208 CO 0.30 -0.41 0.04 -0.63 0.00 0.00 0.00 175.10 174.41 1aw1 s ILE 209 N 3.50 3.68 0.29 2.22 1.01 -1.26 -1.89 121.20 128.75 1aw1 s ILE 209 Ca 0.44 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1aw1 s ILE 209 Cb -0.13 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 1aw1 s ILE 209 CO 0.14 0.10 0.53 -1.10 0.00 0.00 0.00 174.94 174.61 1aw1 s GLN 210 N 1.45 3.60 -0.13 2.79 -0.21 0.31 -1.49 119.66 125.99 1aw1 s GLN 210 Ca 0.02 -0.08 -0.08 0.00 0.02 0.00 0.00 55.36 55.23 1aw1 s GLN 210 Cb -0.17 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 1aw1 s GLN 210 CO 0.01 0.23 0.16 -0.47 -2.12 0.00 0.00 175.29 173.10 1aw1 s TYR 211 N -2.09 3.57 -0.17 0.91 5.04 -0.70 0.18 117.35 124.09 1aw1 s TYR 211 Ca 0.43 0.54 0.16 0.00 -2.44 0.00 0.00 57.07 55.75 1aw1 s TYR 211 Cb -0.11 -2.02 0.44 0.00 0.35 0.00 0.00 41.96 40.62 1aw1 s TYR 211 CO 0.31 0.64 1.19 0.41 -1.34 0.00 0.00 175.55 176.76 1aw1 n GLY 212 N 2.27 3.88 0.00 8.97 0.00 0.99 -1.85 105.19 119.45 1aw1 n GLY 212 Ca -0.19 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.56 0.60 3.17 -0.02 0.00 -1.26 -4.65 105.19 102.47 1aw1 n GLY 213 Ca 0.18 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 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 5.94 -4.70 1.61 7.64 -1.15 -4.67 113.62 118.29 1aw1 n SER 214 Ca 0.00 -3.22 -0.42 0.00 1.01 0.00 0.00 58.87 56.23 1aw1 n SER 214 Cb 0.00 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 61.85 1aw1 n SER 214 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1aw1 s VAL 215 N -2.03 3.51 0.21 0.44 1.01 -1.26 -4.79 120.40 117.49 1aw1 s VAL 215 Ca 0.31 1.00 0.04 0.00 0.00 0.00 0.00 61.98 63.32 1aw1 s VAL 215 Cb -0.03 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1aw1 s VAL 215 CO 0.01 0.03 -0.02 -0.54 0.00 0.00 0.00 175.10 174.58 1aw1 s LYS 216 N 1.83 1.28 0.53 2.72 1.02 -1.26 -4.61 119.74 121.25 1aw1 s LYS 216 Ca 0.65 -1.63 0.21 0.00 0.02 0.00 0.00 55.97 55.21 1aw1 s LYS 216 Cb -0.34 -0.60 1.40 0.00 -0.52 0.00 0.00 37.83 37.76 1aw1 s LYS 216 CO 0.29 -0.07 2.14 -1.35 -0.92 0.00 0.00 175.35 175.44 1aw1 h PRO 217 N 2.53 0.00 0.00 -1.68 0.11 -1.95 -0.53 132.00 130.49 1aw1 h PRO 217 Ca -0.38 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.65 1aw1 h PRO 217 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1aw1 h PRO 217 CO 0.64 0.05 -0.41 1.05 -0.21 0.00 0.00 178.00 179.12 1aw1 h GLU 218 N 0.00 0.00 -0.09 1.05 9.09 -1.98 -3.27 114.58 119.38 1aw1 h GLU 218 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1aw1 h GLU 218 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 1aw1 h GLU 218 CO 0.01 0.41 0.00 0.27 0.05 0.00 0.00 179.01 179.74 1aw1 n ASN 219 N -3.62 1.96 0.38 3.06 0.23 -0.81 -4.80 115.26 111.65 1aw1 n ASN 219 Ca -0.01 -1.57 -0.18 0.00 -0.53 0.00 0.00 54.58 52.30 1aw1 n ASN 219 Cb 0.51 -0.06 -0.09 0.00 -2.08 0.00 0.00 39.78 38.06 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 1.27 -0.93 -0.85 -2.53 0.00 -1.17 -3.15 119.26 111.90 1aw1 h ALA 220 Ca 0.00 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.90 1aw1 h ALA 220 Cb 0.42 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1aw1 h ALA 220 CO 0.00 -1.01 0.57 0.00 0.00 0.00 0.00 179.25 178.81 1aw1 h ALA 221 N -0.67 2.27 -0.53 0.00 0.00 -1.87 0.12 119.26 118.58 1aw1 h ALA 221 Ca -0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1aw1 h ALA 221 Cb 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1aw1 h ALA 221 CO 0.16 -0.53 0.24 0.00 0.00 0.00 0.00 179.25 179.12 1aw1 h ALA 222 N 1.62 0.69 0.14 0.00 0.00 -1.89 -1.84 119.26 117.97 1aw1 h ALA 222 Ca 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1aw1 h ALA 222 Cb 1.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1aw1 h ALA 222 CO -0.14 0.27 -0.07 1.88 0.00 0.00 0.00 179.25 181.19 1aw1 h TYR 223 N 0.72 -0.18 0.00 0.00 0.05 -0.79 -3.02 116.97 113.76 1aw1 h TYR 223 Ca 0.18 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 1aw1 h TYR 223 Cb 0.14 0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.94 1aw1 h TYR 223 CO -0.00 0.18 0.00 1.19 -1.05 0.00 0.00 178.16 178.48 1aw1 n PHE 224 N -5.01 0.00 0.16 4.88 3.72 -0.42 -1.62 117.46 119.16 1aw1 n PHE 224 Ca -0.09 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.35 1aw1 n PHE 224 Cb 0.23 -0.45 0.13 0.00 -0.94 0.00 0.00 39.48 38.46 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 2.25 0.77 -2.69 4.37 0.00 -1.19 -3.44 119.26 119.33 1aw1 h ALA 225 Ca 0.00 -0.40 -0.52 0.00 0.00 0.00 0.00 54.91 54.00 1aw1 h ALA 225 Cb 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1aw1 h ALA 225 CO 0.00 0.54 0.54 -0.65 0.00 0.00 0.00 179.25 179.69 1aw1 s GLN 226 N -3.15 4.51 0.45 0.00 -1.52 -0.64 -4.97 119.66 114.34 1aw1 s GLN 226 Ca 0.03 1.87 0.14 0.00 -1.95 0.00 0.00 55.36 55.45 1aw1 s GLN 226 Cb 0.08 -3.23 1.03 0.00 -0.22 0.00 0.00 33.01 30.67 1aw1 s GLN 226 CO 0.72 -0.04 2.02 -1.00 -0.25 0.00 0.00 175.29 176.74 1aw1 h PRO 227 N 4.94 0.05 -0.44 2.91 0.13 -1.88 -2.79 132.00 134.92 1aw1 h PRO 227 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1aw1 h PRO 227 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1aw1 h PRO 227 CO 0.73 0.17 0.00 -0.25 -0.23 0.00 0.00 178.00 178.42 1aw1 n ASP 228 N -4.37 2.96 -4.33 1.44 8.00 -1.26 -4.75 116.55 114.24 1aw1 n ASP 228 Ca -0.02 -1.94 -0.42 0.00 0.71 0.00 0.00 54.79 53.12 1aw1 n ASP 228 Cb 0.21 -0.29 -0.09 0.00 -0.02 0.00 0.00 41.12 40.92 1aw1 n ASP 228 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1aw1 s ILE 229 N -1.42 4.65 -2.45 0.53 1.01 -1.05 -4.72 121.20 117.75 1aw1 s ILE 229 Ca 0.38 -1.17 0.25 0.00 0.00 0.00 0.00 60.65 60.11 1aw1 s ILE 229 Cb 0.21 -3.77 0.50 0.00 0.01 0.00 0.00 42.46 39.40 1aw1 s ILE 229 CO 0.28 -0.48 1.64 0.47 0.00 0.00 0.00 174.94 176.86 1aw1 n ASP 230 N 5.03 1.70 0.00 3.58 8.00 -0.55 -4.77 116.55 129.54 1aw1 n ASP 230 Ca -0.11 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.78 1aw1 n ASP 230 Cb 0.44 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 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 1.18 -0.73 3.16 0.44 0.00 -1.25 -1.53 105.19 106.45 1aw1 n GLY 231 Ca 0.18 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.54 -0.37 4.61 0.00 -0.91 -1.73 121.76 121.82 1aw1 s ALA 232 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.08 1aw1 s ALA 232 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 23.12 23.19 1aw1 s ALA 232 CO 0.00 -0.21 0.16 -1.17 0.00 0.00 0.00 175.76 174.54 1aw1 s LEU 233 N -1.07 4.70 -0.12 0.00 2.96 -0.77 -0.98 118.68 123.40 1aw1 s LEU 233 Ca -0.11 -1.44 -0.08 0.00 -0.22 0.00 0.00 54.13 52.28 1aw1 s LEU 233 Cb -0.06 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1aw1 s LEU 233 CO 0.02 -0.42 0.16 -0.69 -1.32 0.00 0.00 176.35 174.09 1aw1 s VAL 234 N 1.34 5.47 0.00 1.68 1.01 0.14 -4.55 120.40 125.50 1aw1 s VAL 234 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1aw1 s VAL 234 Cb -0.21 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1aw1 s VAL 234 CO 0.01 0.60 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1aw1 n GLY 235 N 2.09 0.17 0.36 4.51 0.00 -1.26 0.62 105.19 111.67 1aw1 n GLY 235 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 1.77 1.87 -0.02 0.00 -1.93 0.38 103.07 105.14 1aw1 h GLY 236 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1aw1 h GLY 236 CO 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.47 1aw1 n ALA 237 N -2.33 1.95 0.23 3.60 0.00 -1.26 -2.94 120.51 119.75 1aw1 n ALA 237 Ca 0.23 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1aw1 n ALA 237 Cb 0.58 -1.32 0.40 0.00 0.00 0.00 0.00 19.45 19.11 1aw1 n ALA 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aw1 h ALA 238 N 2.76 0.97 -0.00 0.00 0.00 -1.16 -2.99 119.26 118.84 1aw1 h ALA 238 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1aw1 h ALA 238 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1aw1 h ALA 238 CO 0.00 0.17 -0.01 1.28 0.00 0.00 0.00 179.25 180.70 1aw1 n LEU 239 N -3.21 0.28 -4.02 0.00 4.32 -1.15 -4.65 117.00 108.56 1aw1 n LEU 239 Ca 0.01 -0.06 -0.31 0.00 -0.02 0.00 0.00 56.01 55.63 1aw1 n LEU 239 Cb 0.45 -0.03 -0.16 0.00 -1.62 0.00 0.00 43.42 42.06 1aw1 n LEU 239 CO 0.33 0.05 -0.48 -0.62 -1.22 0.00 0.00 177.39 175.45 1aw1 s ASP 240 N -2.07 3.25 0.36 -1.43 -1.08 -1.22 -5.01 116.67 109.46 1aw1 s ASP 240 Ca 0.44 -0.79 0.08 0.00 -0.52 0.00 0.00 52.55 51.76 1aw1 s ASP 240 Cb 0.22 -1.28 0.79 0.00 -1.46 0.00 0.00 42.92 41.19 1aw1 s ASP 240 CO 0.38 -0.10 1.91 0.00 0.52 0.00 0.00 175.17 177.87 1aw1 h ALA 241 N 7.98 1.79 -0.06 3.66 0.00 -1.87 -0.38 119.26 130.37 1aw1 h ALA 241 Ca -0.32 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1aw1 h ALA 241 Cb 1.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1aw1 h ALA 241 CO 0.51 0.03 -0.70 0.87 0.00 0.00 0.00 179.25 179.96 1aw1 h LYS 242 N 0.72 0.28 -0.02 0.00 6.56 -1.93 -2.04 116.57 120.13 1aw1 h LYS 242 Ca 0.39 -0.23 -0.03 0.00 -1.06 0.00 0.00 60.65 59.73 1aw1 h LYS 242 Cb 0.53 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1aw1 h LYS 242 CO -0.16 0.87 -0.10 0.77 -2.06 0.00 0.00 179.45 178.78 1aw1 h SER 243 N 0.20 0.12 -0.65 0.86 0.02 -1.58 -2.88 113.55 109.64 1aw1 h SER 243 Ca -0.02 -0.65 -0.08 0.00 -0.84 0.00 0.00 61.79 60.19 1aw1 h SER 243 Cb 1.25 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 1aw1 h SER 243 CO 0.11 0.75 0.08 0.15 -1.14 0.00 0.00 176.83 176.79 1aw1 h PHE 244 N -0.50 1.17 -0.25 3.45 3.57 -0.95 -2.03 116.94 121.39 1aw1 h PHE 244 Ca -0.01 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.26 1aw1 h PHE 244 Cb 0.75 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1aw1 h PHE 244 CO 0.15 0.99 -0.10 0.00 -2.23 0.00 0.00 178.31 177.12 1aw1 h ALA 245 N 1.03 1.36 -0.10 2.41 0.00 -1.48 0.28 119.26 122.77 1aw1 h ALA 245 Ca 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1aw1 h ALA 245 Cb 0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1aw1 h ALA 245 CO 0.02 0.44 -0.01 0.00 0.00 0.00 0.00 179.25 179.69 1aw1 h ALA 246 N 1.51 0.13 -0.15 0.00 0.00 -1.27 -1.70 119.26 117.79 1aw1 h ALA 246 Ca 0.08 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1aw1 h ALA 246 Cb 0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1aw1 h ALA 246 CO 0.02 -0.16 0.03 0.82 0.00 0.00 0.00 179.25 179.96 1aw1 h ILE 247 N -0.12 0.93 -0.54 0.00 2.04 -1.12 -2.17 117.51 116.54 1aw1 h ILE 247 Ca 0.03 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1aw1 h ILE 247 Cb 0.38 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 1aw1 h ILE 247 CO 0.01 0.02 0.22 0.00 0.00 0.00 0.00 178.15 178.40 1aw1 h ALA 248 N 1.11 0.68 -0.63 1.87 0.00 -0.87 -2.82 119.26 118.61 1aw1 h ALA 248 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1aw1 h ALA 248 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1aw1 h ALA 248 CO -0.09 -0.16 0.40 0.87 0.00 0.00 0.00 179.25 180.27 1aw1 h LYS 249 N 0.42 0.84 -0.94 0.00 1.57 -1.06 -1.82 116.57 115.58 1aw1 h LYS 249 Ca 0.26 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.05 1aw1 h LYS 249 Cb 0.25 -0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 1aw1 h LYS 249 CO -0.24 0.57 0.61 0.00 -0.57 0.00 0.00 179.45 179.83 1aw1 h ALA 250 N 1.21 1.50 -0.55 3.86 0.00 -1.21 0.61 119.26 124.68 1aw1 h ALA 250 Ca 0.23 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1aw1 h ALA 250 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1aw1 h ALA 250 CO -0.05 0.34 -0.06 0.00 0.00 0.00 0.00 179.25 179.48 1aw1 h ALA 251 N 1.50 0.75 -0.13 0.00 0.00 -1.18 -0.45 119.26 119.77 1aw1 h ALA 251 Ca 0.42 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1aw1 h ALA 251 Cb 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1aw1 h ALA 251 CO -0.17 0.63 0.01 0.00 0.00 0.00 0.00 179.25 179.72 1aw1 h ALA 252 N 0.94 0.17 -0.42 0.00 0.00 -0.44 -2.06 119.26 117.45 1aw1 h ALA 252 Ca 0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1aw1 h ALA 252 Cb 0.61 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1aw1 h ALA 252 CO 0.04 -0.16 0.07 0.93 0.00 0.00 0.00 179.25 180.13 1aw1 h GLU 253 N -0.03 0.69 -0.47 0.00 4.39 -0.93 -3.11 114.58 115.12 1aw1 h GLU 253 Ca 0.04 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.57 1aw1 h GLU 253 Cb 0.33 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1aw1 h GLU 253 CO 0.00 0.73 0.31 0.00 -1.16 0.00 0.00 179.01 178.89 1aw1 h ALA 254 N 0.94 1.72 -0.58 3.43 0.00 -0.92 -3.03 119.26 120.82 1aw1 h ALA 254 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1aw1 h ALA 254 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1aw1 h ALA 254 CO 0.01 0.25 0.00 1.63 0.00 0.00 0.00 179.25 181.13 1aw1 n LYS 255 N -4.47 3.22 0.00 0.00 4.76 -0.79 -4.91 118.16 115.97 1aw1 n LYS 255 Ca 0.04 -2.65 0.14 0.00 -2.87 0.00 0.00 58.31 52.97 1aw1 n LYS 255 Cb 0.09 -1.67 0.57 0.00 -1.84 0.00 0.00 35.03 32.18 1aw1 n LYS 255 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03