#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w58 h PRO 24 N 0.00 0.09 0.24 -1.46 0.11 -2.05 0.77 132.00 129.70 1w58 h PRO 24 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1w58 h PRO 24 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1w58 h PRO 24 CO 0.00 0.06 -0.12 0.93 -0.21 0.00 0.00 178.00 178.66 1w58 h GLU 25 N 0.09 -0.31 -0.56 1.05 5.08 -2.06 -1.97 114.58 115.90 1w58 h GLU 25 Ca 0.56 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.98 1w58 h GLU 25 Cb 1.14 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1w58 h GLU 25 CO -0.78 -0.05 0.31 -0.44 -1.00 0.00 0.00 179.01 177.04 1w58 h ASP 26 N -0.55 0.47 -0.36 1.42 3.45 -1.79 -0.55 116.42 118.51 1w58 h ASP 26 Ca -0.03 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.43 1w58 h ASP 26 Cb 0.41 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 1w58 h ASP 26 CO 0.05 0.32 0.17 0.11 -1.57 0.00 0.00 179.24 178.32 1w58 h LYS 27 N 0.60 0.56 -0.38 3.56 1.57 -0.87 -0.64 116.57 120.97 1w58 h LYS 27 Ca 0.24 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1w58 h LYS 27 Cb 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1w58 h LYS 27 CO -0.15 0.46 -0.13 1.49 -0.57 0.00 0.00 179.45 180.55 1w58 h GLU 28 N 0.56 0.76 -0.59 3.15 4.81 -0.62 -1.87 114.58 120.79 1w58 h GLU 28 Ca 0.14 -0.31 -0.07 0.00 -0.13 0.00 0.00 59.36 58.99 1w58 h GLU 28 Cb 0.10 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1w58 h GLU 28 CO -0.02 0.92 0.10 -0.07 -0.73 0.00 0.00 179.01 179.21 1w58 h LEU 29 N 0.56 0.93 -0.16 1.64 4.07 -0.25 -2.41 115.31 119.69 1w58 h LEU 29 Ca 0.09 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 1w58 h LEU 29 Cb 0.66 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1w58 h LEU 29 CO 0.05 0.95 0.06 -0.07 -1.08 0.00 0.00 178.44 178.35 1w58 h LEU 30 N 0.87 0.22 -1.02 1.67 -0.00 -1.08 -2.92 115.31 113.05 1w58 h LEU 30 Ca 0.18 -0.17 0.09 0.00 -0.00 0.00 0.00 57.88 57.98 1w58 h LEU 30 Cb 0.42 -0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 40.94 1w58 h LEU 30 CO 0.01 0.33 0.64 -0.33 -0.00 0.00 0.00 178.44 179.09 1w58 h GLU 31 N 0.09 1.04 -0.91 1.13 4.39 -1.27 -0.93 114.58 118.13 1w58 h GLU 31 Ca 0.05 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1w58 h GLU 31 Cb 0.19 -0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1w58 h GLU 31 CO -0.00 0.69 0.59 -0.92 -1.16 0.00 0.00 179.01 178.21 1w58 h TYR 32 N 1.08 1.11 0.00 4.33 3.20 -1.25 -0.61 116.97 124.83 1w58 h TYR 32 Ca 0.47 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.34 1w58 h TYR 32 Cb 0.34 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 1w58 h TYR 32 CO -0.00 0.63 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.98 1w58 h LEU 33 N 1.14 0.00 -0.36 2.82 3.38 -1.03 -1.94 115.31 119.32 1w58 h LEU 33 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1w58 h LEU 33 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1w58 h LEU 33 CO -0.12 0.10 -0.04 0.00 0.09 0.00 0.00 178.44 178.48 1w58 n GLN 34 N -3.75 1.08 -1.72 1.13 1.13 -0.25 -4.90 117.38 110.10 1w58 n GLN 34 Ca -0.02 -0.36 -0.43 0.00 -1.94 0.00 0.00 57.00 54.25 1w58 n GLN 34 Cb 0.21 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.05 1w58 n GLN 34 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1w58 n GLN 35 N -0.64 2.51 -0.07 -1.09 7.27 -0.73 -4.91 117.38 119.72 1w58 n GLN 35 Ca 0.19 0.89 -0.08 0.00 0.07 0.00 0.00 57.00 58.07 1w58 n GLN 35 Cb 0.24 -2.64 -0.08 0.00 2.41 0.00 0.00 30.24 30.18 1w58 n GLN 35 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1w58 n THR 36 N 2.02 0.82 -4.25 1.69 5.66 -1.26 -5.04 114.28 113.92 1w58 n THR 36 Ca 0.09 -0.39 -0.30 0.00 -3.05 0.00 0.00 64.05 60.41 1w58 n THR 36 Cb 0.35 -0.89 -0.10 0.00 -1.55 0.00 0.00 70.33 68.14 1w58 n THR 36 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1w58 s LYS 37 N -2.29 2.12 0.27 1.09 0.00 -1.26 -5.10 119.74 114.58 1w58 s LYS 37 Ca -0.14 -1.02 -0.29 0.00 0.00 0.00 0.00 55.97 54.51 1w58 s LYS 37 Cb 0.04 -2.30 -0.09 0.00 0.00 0.00 0.00 37.83 35.48 1w58 s LYS 37 CO 0.39 0.51 1.20 0.00 0.00 0.00 0.00 175.35 177.46 1w58 s ALA 38 N -1.20 3.45 -0.27 0.59 0.00 -1.26 -4.98 121.76 118.09 1w58 s ALA 38 Ca 0.21 1.04 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 1w58 s ALA 38 Cb -0.11 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1w58 s ALA 38 CO 0.13 -0.39 0.64 0.15 0.00 0.00 0.00 175.76 176.30 1w58 s LYS 39 N -1.14 4.06 -0.06 0.00 1.02 -1.26 -4.98 119.74 117.37 1w58 s LYS 39 Ca 0.49 0.50 0.03 0.00 0.02 0.00 0.00 55.97 57.01 1w58 s LYS 39 Cb -0.35 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.26 1w58 s LYS 39 CO 0.43 -0.47 -0.12 0.42 -0.92 0.00 0.00 175.35 174.69 1w58 s ILE 40 N 2.56 3.22 -0.04 2.17 1.09 -1.26 -0.85 121.20 128.09 1w58 s ILE 40 Ca 0.26 -0.66 0.04 0.00 -1.10 0.00 0.00 60.65 59.19 1w58 s ILE 40 Cb -0.15 -2.28 -0.00 0.00 -1.06 0.00 0.00 42.46 38.97 1w58 s ILE 40 CO 0.09 0.59 -0.15 -0.89 -0.10 0.00 0.00 174.94 174.48 1w58 s THR 41 N -0.71 1.28 -0.17 2.92 2.01 -0.61 -1.43 115.64 118.93 1w58 s THR 41 Ca 0.11 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 1w58 s THR 41 Cb -0.11 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 1w58 s THR 41 CO 0.01 0.38 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.56 1w58 s VAL 42 N 0.12 3.52 -0.20 3.82 1.01 0.01 -0.92 120.40 127.76 1w58 s VAL 42 Ca -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1w58 s VAL 42 Cb -0.11 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1w58 s VAL 42 CO 0.02 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.75 1w58 s VAL 43 N 0.72 2.31 -0.17 2.92 1.01 -0.04 -0.14 120.40 127.02 1w58 s VAL 43 Ca -0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 1w58 s VAL 43 Cb -0.15 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1w58 s VAL 43 CO 0.02 0.44 -0.01 -0.83 0.00 0.00 0.00 175.10 174.72 1w58 s GLY 44 N 1.30 1.75 -0.11 4.51 0.00 -0.40 -0.64 107.32 113.73 1w58 s GLY 44 Ca 0.03 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.92 1w58 s GLY 44 CO -0.10 0.03 -0.16 0.00 0.00 0.00 0.00 173.10 172.87 1w58 n GLY 46 N 3.32 -2.47 0.45 0.00 0.00 -0.84 -3.42 105.19 102.23 1w58 n GLY 46 Ca -0.18 -1.65 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 1w58 n GLY 46 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1w58 h GLY 47 N 0.00 -1.21 0.60 -0.02 0.00 -1.95 -0.30 103.07 100.19 1w58 h GLY 47 Ca 0.00 0.51 0.07 0.00 0.00 0.00 0.00 47.33 47.91 1w58 h GLY 47 CO 0.00 -0.40 0.35 0.00 0.00 0.00 0.00 176.54 176.49 1w58 h ALA 48 N -1.22 0.90 -0.68 3.60 0.00 -1.91 -1.02 119.26 118.94 1w58 h ALA 48 Ca -0.08 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1w58 h ALA 48 Cb 0.83 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1w58 h ALA 48 CO 0.06 -0.00 0.23 0.78 0.00 0.00 0.00 179.25 180.32 1w58 h GLY 49 N 0.63 1.10 1.11 0.00 0.00 -1.56 -0.95 103.07 103.41 1w58 h GLY 49 Ca 0.31 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1w58 h GLY 49 CO -0.21 0.58 -0.17 3.43 0.00 0.00 0.00 176.54 180.16 1w58 h ASN 50 N 1.00 1.04 -0.73 0.19 2.35 -0.58 -1.41 115.58 117.43 1w58 h ASN 50 Ca 0.23 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1w58 h ASN 50 Cb 0.25 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 1w58 h ASN 50 CO -0.01 1.18 0.37 -1.13 -1.65 0.00 0.00 177.43 176.19 1w58 h ASN 51 N 0.89 0.94 -0.58 5.81 -1.24 -0.77 0.64 115.58 121.28 1w58 h ASN 51 Ca 0.12 -0.12 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 1w58 h ASN 51 Cb 0.75 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.54 1w58 h ASN 51 CO 0.06 0.80 0.26 0.74 -1.29 0.00 0.00 177.43 178.00 1w58 h THR 52 N 1.02 1.21 -0.37 -3.57 2.02 -0.98 -2.82 112.91 109.43 1w58 h THR 52 Ca 0.25 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1w58 h THR 52 Cb 0.09 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1w58 h THR 52 CO -0.04 0.25 0.22 0.40 0.37 0.00 0.00 175.52 176.73 1w58 h ILE 53 N 0.79 1.12 -0.83 3.11 1.08 -0.66 -2.19 117.51 119.93 1w58 h ILE 53 Ca 0.20 -0.27 0.13 0.00 -0.39 0.00 0.00 64.86 64.53 1w58 h ILE 53 Cb 0.15 0.64 -0.09 0.00 -3.07 0.00 0.00 36.82 34.45 1w58 h ILE 53 CO -0.02 0.12 0.42 0.74 -0.69 0.00 0.00 178.15 178.72 1w58 h THR 54 N 0.48 0.76 -0.04 -0.27 2.02 -0.71 -1.17 112.91 113.99 1w58 h THR 54 Ca 0.13 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1w58 h THR 54 Cb -0.00 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1w58 h THR 54 CO -0.03 0.11 -0.00 0.03 0.37 0.00 0.00 175.52 176.01 1w58 h ARG 55 N 0.63 0.07 -0.71 6.66 2.47 -1.25 -2.51 114.38 119.74 1w58 h ARG 55 Ca 0.44 -0.02 0.08 0.00 -1.26 0.00 0.00 59.98 59.22 1w58 h ARG 55 Cb 0.59 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.84 1w58 h ARG 55 CO -0.34 0.38 0.37 -0.07 0.56 0.00 0.00 179.97 180.87 1w58 h LEU 56 N -0.25 0.51 -0.39 3.04 3.38 -0.94 0.20 115.31 120.85 1w58 h LEU 56 Ca 0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1w58 h LEU 56 Cb 0.35 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1w58 h LEU 56 CO 0.00 0.30 0.21 0.50 0.09 0.00 0.00 178.44 179.54 1w58 h LYS 57 N 0.64 0.55 0.11 1.13 1.63 -1.19 0.31 116.57 119.76 1w58 h LYS 57 Ca 0.34 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 1w58 h LYS 57 Cb 0.32 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1w58 h LYS 57 CO -0.25 0.45 -0.05 0.52 -3.45 0.00 0.00 179.45 176.67 1w58 h MET 58 N 0.50 -0.15 0.00 1.90 2.86 -0.93 -3.14 114.93 115.97 1w58 h MET 58 Ca 0.14 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1w58 h MET 58 Cb 0.07 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1w58 h MET 58 CO -0.02 0.32 0.00 0.93 1.06 0.00 0.00 176.91 179.20 1w58 h GLU 59 N -0.70 0.00 0.00 1.72 5.08 -0.68 -3.49 114.58 116.51 1w58 h GLU 59 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1w58 h GLU 59 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1w58 h GLU 59 CO 0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1w58 n GLY 60 N -0.05 -1.34 2.74 -3.84 0.00 0.11 -5.01 105.19 97.80 1w58 n GLY 60 Ca 0.01 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.48 1w58 n GLY 60 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1w58 s ILE 61 N -2.76 -0.30 -0.00 -0.61 2.07 -1.23 -4.85 121.20 113.52 1w58 s ILE 61 Ca 0.00 -1.08 -0.00 0.00 -1.41 0.00 0.00 60.65 58.16 1w58 s ILE 61 Cb 0.00 -0.69 -0.00 0.00 0.13 0.00 0.00 42.46 41.90 1w58 s ILE 61 CO 0.00 -0.62 0.00 1.21 -1.91 0.00 0.00 174.94 173.63 1w58 n GLU 62 N 4.16 0.00 -3.79 3.50 2.13 -1.26 -3.04 120.64 122.34 1w58 n GLU 62 Ca 0.12 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.69 1w58 n GLU 62 Cb 0.45 -0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 1w58 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1w58 n GLY 63 N 0.01 -1.30 3.56 8.31 0.00 -1.26 -4.82 105.19 109.69 1w58 n GLY 63 Ca 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 46.02 46.60 1w58 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w58 s ALA 64 N -3.01 -2.30 0.42 4.61 0.00 -1.17 -4.30 121.76 116.01 1w58 s ALA 64 Ca 0.02 2.23 -0.11 0.00 0.00 0.00 0.00 51.96 54.09 1w58 s ALA 64 Cb -0.01 -1.80 -0.07 0.00 0.00 0.00 0.00 23.12 21.25 1w58 s ALA 64 CO 0.90 -0.70 0.80 -1.59 0.00 0.00 0.00 175.76 175.17 1w58 s LYS 65 N 2.15 3.80 -0.16 0.00 -2.85 -0.51 -4.88 119.74 117.29 1w58 s LYS 65 Ca -0.06 0.54 -0.02 0.00 -1.00 0.00 0.00 55.97 55.43 1w58 s LYS 65 Cb -0.07 -2.35 -0.02 0.00 -2.06 0.00 0.00 37.83 33.33 1w58 s LYS 65 CO -0.18 -0.07 -0.07 0.95 0.10 0.00 0.00 175.35 176.08 1w58 s THR 66 N -2.41 3.49 -0.13 3.79 -4.23 -1.26 -0.81 115.64 114.07 1w58 s THR 66 Ca 0.52 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.57 1w58 s THR 66 Cb -0.10 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.23 1w58 s THR 66 CO 0.31 0.49 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.97 1w58 s VAL 67 N 0.59 2.05 -0.09 2.29 1.01 0.80 -1.43 120.40 125.62 1w58 s VAL 67 Ca -0.05 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1w58 s VAL 67 Cb -0.15 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1w58 s VAL 67 CO 0.03 0.55 -0.10 0.00 0.00 0.00 0.00 175.10 175.57 1w58 s ALA 68 N 0.72 2.79 -0.01 5.51 0.00 0.77 -1.28 121.76 130.25 1w58 s ALA 68 Ca -0.10 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1w58 s ALA 68 Cb -0.16 -1.19 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 1w58 s ALA 68 CO 0.00 0.43 -0.06 0.96 0.00 0.00 0.00 175.76 177.09 1w58 s ILE 69 N -0.29 0.50 0.13 0.00 -4.36 -0.49 -1.26 121.20 115.44 1w58 s ILE 69 Ca 0.03 -0.25 -0.17 0.00 -0.26 0.00 0.00 60.65 60.01 1w58 s ILE 69 Cb -0.13 -0.44 0.04 0.00 1.25 0.00 0.00 42.46 43.18 1w58 s ILE 69 CO 0.03 0.15 0.42 0.21 0.24 0.00 0.00 174.94 175.99 1w58 s ASN 70 N 0.01 -0.26 0.02 4.36 3.04 -0.96 -2.00 114.94 119.15 1w58 s ASN 70 Ca 0.00 -0.30 0.21 0.00 0.04 0.00 0.00 52.86 52.81 1w58 s ASN 70 Cb -0.04 0.48 -0.21 0.00 -1.54 0.00 0.00 41.25 39.94 1w58 s ASN 70 CO -0.00 -0.86 0.61 1.07 -3.04 0.00 0.00 177.10 174.88 1w58 n THR 71 N -0.24 0.55 -3.22 -5.21 5.66 -1.26 -0.81 114.28 109.75 1w58 n THR 71 Ca -0.16 -0.60 -0.43 0.00 -3.05 0.00 0.00 64.05 59.81 1w58 n THR 71 Cb 0.64 -0.27 -0.08 0.00 -1.55 0.00 0.00 70.33 69.07 1w58 n THR 71 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1w58 s ASP 72 N -5.07 6.25 0.18 1.09 -1.08 -1.26 -2.58 116.67 114.20 1w58 s ASP 72 Ca -0.06 -0.53 -0.13 0.00 -0.52 0.00 0.00 52.55 51.31 1w58 s ASP 72 Cb 0.11 -2.27 0.11 0.00 -1.46 0.00 0.00 42.92 39.41 1w58 s ASP 72 CO 0.85 -0.68 1.83 0.00 0.52 0.00 0.00 175.17 177.69 1w58 h ALA 73 N 8.81 0.72 -0.57 3.66 0.00 -1.10 -2.43 119.26 128.35 1w58 h ALA 73 Ca -0.26 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1w58 h ALA 73 Cb 1.10 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1w58 h ALA 73 CO 0.84 0.08 0.34 1.96 0.00 0.00 0.00 179.25 182.48 1w58 h GLN 74 N 0.70 0.66 -0.58 0.00 1.08 -1.95 0.14 115.11 115.15 1w58 h GLN 74 Ca 0.22 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.33 1w58 h GLN 74 Cb -0.01 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 1w58 h GLN 74 CO -0.08 0.44 0.16 1.96 -0.95 0.00 0.00 178.83 180.35 1w58 h GLN 75 N 0.68 0.89 -0.35 1.46 4.20 -1.91 -2.31 115.11 117.77 1w58 h GLN 75 Ca 0.23 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 1w58 h GLN 75 Cb 0.02 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1w58 h GLN 75 CO -0.10 0.79 -0.31 1.25 -0.67 0.00 0.00 178.83 179.79 1w58 h LEU 76 N 0.86 0.80 -0.35 1.46 5.85 -0.85 -3.03 115.31 120.05 1w58 h LEU 76 Ca 0.19 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1w58 h LEU 76 Cb 0.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1w58 h LEU 76 CO -0.00 1.05 0.20 0.40 -0.34 0.00 0.00 178.44 179.75 1w58 h ILE 77 N 0.65 1.14 -0.00 4.05 1.08 -0.30 -2.67 117.51 121.46 1w58 h ILE 77 Ca 0.07 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1w58 h ILE 77 Cb 0.85 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1w58 h ILE 77 CO 0.07 0.14 0.00 -2.11 -0.69 0.00 0.00 178.15 175.56 1w58 n ARG 78 N -4.78 1.00 -3.55 2.37 1.85 -0.91 -4.83 116.66 107.82 1w58 n ARG 78 Ca -0.01 -0.01 -0.31 0.00 -1.00 0.00 0.00 57.85 56.53 1w58 n ARG 78 Cb 0.07 -1.11 -0.05 0.00 -1.05 0.00 0.00 32.46 30.32 1w58 n ARG 78 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1w58 s THR 79 N -2.00 5.07 -0.18 8.89 2.01 -1.01 -5.07 115.64 123.35 1w58 s THR 79 Ca 0.11 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 1w58 s THR 79 Cb 0.05 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1w58 s THR 79 CO 0.08 -0.06 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.29 1w58 s LYS 80 N -2.86 3.21 0.09 4.92 3.01 -1.26 -5.03 119.74 121.82 1w58 s LYS 80 Ca 0.43 -0.73 -0.26 0.00 -1.01 0.00 0.00 55.97 54.41 1w58 s LYS 80 Cb -0.12 -2.74 0.08 0.00 -1.01 0.00 0.00 37.83 34.05 1w58 s LYS 80 CO 0.24 -0.12 0.75 0.00 0.51 0.00 0.00 175.35 176.73 1w58 s ALA 81 N 1.17 -1.68 0.31 5.17 0.00 -1.26 -3.55 121.76 121.91 1w58 s ALA 81 Ca 0.01 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.69 1w58 s ALA 81 Cb -0.14 0.67 0.51 0.00 0.00 0.00 0.00 23.12 24.16 1w58 s ALA 81 CO -0.05 -0.76 1.78 -0.44 0.00 0.00 0.00 175.76 176.29 1w58 h ASP 82 N 2.00 0.41 -3.50 0.00 3.32 -1.75 -3.44 116.42 113.46 1w58 h ASP 82 Ca -0.28 -0.12 -0.24 0.00 0.02 0.00 0.00 57.03 56.41 1w58 h ASP 82 Cb 1.27 -0.11 -0.31 0.00 0.22 0.00 0.00 39.33 40.40 1w58 h ASP 82 CO 0.34 0.63 -0.61 -0.75 -1.72 0.00 0.00 179.24 177.12 1w58 s LYS 83 N -4.56 0.08 -0.04 3.56 2.47 -0.51 -5.02 119.74 115.72 1w58 s LYS 83 Ca -0.06 0.31 0.06 0.00 -1.56 0.00 0.00 55.97 54.71 1w58 s LYS 83 Cb 0.14 -0.15 -0.02 0.00 -1.46 0.00 0.00 37.83 36.34 1w58 s LYS 83 CO 0.77 -0.14 -0.20 0.15 0.16 0.00 0.00 175.35 176.10 1w58 s LYS 84 N 0.96 2.34 -0.07 4.03 1.02 -1.26 -0.16 119.74 126.59 1w58 s LYS 84 Ca -0.07 -0.80 -0.00 0.00 0.02 0.00 0.00 55.97 55.11 1w58 s LYS 84 Cb -0.10 -2.23 0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1w58 s LYS 84 CO -0.04 0.59 -0.03 0.42 -0.92 0.00 0.00 175.35 175.37 1w58 s ILE 85 N -0.66 0.56 -0.37 2.17 1.01 -0.39 -4.97 121.20 118.56 1w58 s ILE 85 Ca 0.10 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.51 1w58 s ILE 85 Cb -0.10 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.73 1w58 s ILE 85 CO -0.00 0.27 0.64 -0.22 0.00 0.00 0.00 174.94 175.63 1w58 s LEU 86 N 1.56 4.29 0.22 2.97 2.96 -1.26 -2.26 118.68 127.16 1w58 s LEU 86 Ca -0.01 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1w58 s LEU 86 Cb -0.13 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 1w58 s LEU 86 CO -0.04 -0.63 0.37 0.27 -1.32 0.00 0.00 176.35 175.01 1w58 s ILE 87 N 2.74 5.24 -1.10 6.68 -4.36 0.01 -4.45 121.20 125.96 1w58 s ILE 87 Ca 0.24 -0.71 -0.01 0.00 -0.26 0.00 0.00 60.65 59.91 1w58 s ILE 87 Cb -0.14 -3.81 0.00 0.00 1.25 0.00 0.00 42.46 39.76 1w58 s ILE 87 CO 0.16 -0.27 0.16 0.61 0.24 0.00 0.00 174.94 175.84 1w58 n GLY 88 N -1.09 -0.15 0.40 6.27 0.00 -1.08 -4.36 105.19 105.17 1w58 n GLY 88 Ca -0.07 -0.27 0.19 0.00 0.00 0.00 0.00 46.02 45.88 1w58 n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w58 h LYS 89 N -0.37 0.22 0.09 1.61 1.57 -1.78 -0.78 116.57 117.12 1w58 h LYS 89 Ca -0.33 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.12 1w58 h LYS 89 Cb 1.24 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1w58 h LYS 89 CO 0.38 0.14 -1.65 0.87 -0.57 0.00 0.00 179.45 178.62 1w58 h LYS 90 N 0.22 0.18 0.00 3.15 1.57 -1.98 -3.40 116.57 116.32 1w58 h LYS 90 Ca 0.35 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1w58 h LYS 90 Cb 1.07 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1w58 h LYS 90 CO -0.07 0.98 -0.00 1.25 -0.57 0.00 0.00 179.45 181.03 1w58 h LEU 91 N 0.05 -0.00-10.44 2.94 5.85 -1.78 -3.45 115.31 108.48 1w58 h LEU 91 Ca -0.28 0.00 -0.45 0.00 0.84 0.00 0.00 57.88 57.99 1w58 h LEU 91 Cb 2.01 0.00 0.04 0.00 0.37 0.00 0.00 40.66 43.08 1w58 h LEU 91 CO 0.12 0.00 -0.05 0.42 -0.34 0.00 0.00 178.44 178.60 1w58 s THR 92 N -1.69 3.23 -0.47 1.05 -4.23 -0.36 -5.01 115.64 108.15 1w58 s THR 92 Ca -0.00 -0.57 0.08 0.00 -1.18 0.00 0.00 61.69 60.02 1w58 s THR 92 Cb 0.00 -3.21 0.38 0.00 1.34 0.00 0.00 72.50 71.02 1w58 s THR 92 CO 0.00 -0.15 0.97 0.54 -0.54 0.00 0.00 174.62 175.45 1w58 n ARG 93 N -2.25 2.70 -1.02 3.99 1.74 -1.26 -4.16 116.66 116.40 1w58 n ARG 93 Ca 0.05 -4.31 -0.01 0.00 -0.77 0.00 0.00 57.85 52.81 1w58 n ARG 93 Cb 0.59 -2.03 -0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1w58 n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1w58 n GLY 94 N -0.23 0.45 1.76 -0.13 0.00 -1.24 -4.92 105.19 100.89 1w58 n GLY 94 Ca 0.30 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 1w58 n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1w58 n LEU 95 N -0.07 5.47 -0.18 0.99 4.77 -1.21 -0.48 117.00 126.29 1w58 n LEU 95 Ca -0.01 -4.09 0.02 0.00 -0.03 0.00 0.00 56.01 51.91 1w58 n LEU 95 Cb 0.10 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.50 1w58 n LEU 95 CO 0.01 1.47 -0.04 0.61 -1.33 0.00 0.00 177.39 178.11 1w58 n GLY 96 N -0.99 -1.60 0.13 -0.72 0.00 -1.07 -4.73 105.19 96.20 1w58 n GLY 96 Ca 0.46 -1.48 0.01 0.00 0.00 0.00 0.00 46.02 45.02 1w58 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w58 n ALA 97 N -1.70 2.30 -4.05 4.61 0.00 -1.26 -4.73 120.51 115.68 1w58 n ALA 97 Ca -0.00 -0.74 -0.32 0.00 0.00 0.00 0.00 53.44 52.37 1w58 n ALA 97 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1w58 n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w58 n GLY 98 N -0.03 -0.46 2.44 0.00 0.00 -1.26 -2.06 105.19 103.83 1w58 n GLY 98 Ca 0.02 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1w58 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w58 n GLY 99 N -1.58 0.71 3.36 -0.02 0.00 -1.26 -4.90 105.19 101.51 1w58 n GLY 99 Ca 0.03 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1w58 n GLY 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1w58 s ASN 100 N -2.41 5.75 0.30 1.61 3.84 -0.87 -3.93 114.94 119.22 1w58 s ASN 100 Ca 0.00 -1.07 0.04 0.00 0.21 0.00 0.00 52.86 52.04 1w58 s ASN 100 Cb 0.00 -2.03 0.65 0.00 -0.55 0.00 0.00 41.25 39.32 1w58 s ASN 100 CO 0.00 -0.42 1.82 -0.65 -2.79 0.00 0.00 177.10 175.07 1w58 h PRO 101 N 8.45 0.86 -0.12 0.43 0.11 -1.75 -1.72 132.00 138.26 1w58 h PRO 101 Ca -0.25 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 1w58 h PRO 101 Cb 1.10 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1w58 h PRO 101 CO 0.69 0.57 -0.13 0.87 -0.21 0.00 0.00 178.00 179.78 1w58 h LYS 102 N 0.88 0.18 -0.06 1.05 1.57 -1.94 -1.06 116.57 117.19 1w58 h LYS 102 Ca 0.52 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 59.14 1w58 h LYS 102 Cb 0.65 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.94 1w58 h LYS 102 CO -0.29 0.32 -0.41 0.82 -0.57 0.00 0.00 179.45 179.32 1w58 h ILE 103 N 0.17 1.41 -0.97 1.86 1.08 -1.63 -2.49 117.51 116.94 1w58 h ILE 103 Ca 0.04 -1.82 0.07 0.00 -0.39 0.00 0.00 64.86 62.76 1w58 h ILE 103 Cb 0.34 2.35 -0.07 0.00 -3.07 0.00 0.00 36.82 36.38 1w58 h ILE 103 CO 0.02 0.53 0.62 1.23 -0.69 0.00 0.00 178.15 179.86 1w58 h GLY 104 N -0.09 1.49 0.82 5.37 0.00 -1.07 -0.87 103.07 108.73 1w58 h GLY 104 Ca -0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1w58 h GLY 104 CO 0.08 0.31 -0.09 -2.09 0.00 0.00 0.00 176.54 174.75 1w58 h GLU 105 N 1.12 -0.24 -0.55 4.80 4.81 -1.22 -2.04 114.58 121.25 1w58 h GLU 105 Ca 0.43 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.64 1w58 h GLU 105 Cb 0.20 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1w58 h GLU 105 CO -0.18 -0.02 0.23 1.49 -0.73 0.00 0.00 179.01 179.79 1w58 h GLU 106 N -0.43 0.80 -0.67 1.92 4.22 -1.22 -0.09 114.58 119.10 1w58 h GLU 106 Ca -0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 59.36 59.26 1w58 h GLU 106 Cb 0.33 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1w58 h GLU 106 CO 0.04 0.65 0.29 0.00 -2.18 0.00 0.00 179.01 177.82 1w58 h ALA 107 N 1.46 0.87 -0.32 2.92 0.00 -1.12 0.85 119.26 123.93 1w58 h ALA 107 Ca 0.19 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1w58 h ALA 107 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1w58 h ALA 107 CO -0.02 0.46 -0.23 0.00 0.00 0.00 0.00 179.25 179.47 1w58 h ALA 108 N 1.13 0.46 -0.87 0.00 0.00 -0.67 -2.45 119.26 116.85 1w58 h ALA 108 Ca 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1w58 h ALA 108 Cb 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1w58 h ALA 108 CO -0.02 0.43 0.49 0.87 0.00 0.00 0.00 179.25 181.01 1w58 h LYS 109 N 0.48 1.21 -0.26 0.00 1.57 -0.89 -1.57 116.57 117.11 1w58 h LYS 109 Ca 0.06 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1w58 h LYS 109 Cb 0.78 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1w58 h LYS 109 CO 0.06 0.88 0.16 1.49 -0.57 0.00 0.00 179.45 181.47 1w58 h GLU 110 N 1.22 0.35 -0.41 3.15 4.81 -0.59 -2.63 114.58 120.48 1w58 h GLU 110 Ca 0.31 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 1w58 h GLU 110 Cb 0.01 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 1w58 h GLU 110 CO -0.05 0.24 0.05 0.43 -0.73 0.00 0.00 179.01 178.95 1w58 n SER 111 N -4.48 3.82 -0.34 1.04 7.64 -0.79 -4.74 113.62 115.77 1w58 n SER 111 Ca 0.01 -3.25 0.12 0.00 1.01 0.00 0.00 58.87 56.76 1w58 n SER 111 Cb 0.08 -0.62 0.31 0.00 -1.01 0.00 0.00 64.21 62.97 1w58 n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1w58 h ALA 112 N 1.86 1.60 -0.23 -0.43 0.00 -0.92 -1.77 119.26 119.37 1w58 h ALA 112 Ca 0.12 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1w58 h ALA 112 Cb 1.73 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1w58 h ALA 112 CO 0.40 -0.08 0.10 1.49 0.00 0.00 0.00 179.25 181.16 1w58 h GLU 113 N 0.72 0.22 -0.32 0.00 4.57 -1.85 -0.22 114.58 117.69 1w58 h GLU 113 Ca 0.56 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.63 1w58 h GLU 113 Cb 0.88 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 1w58 h GLU 113 CO -0.39 0.14 -0.22 0.93 -1.18 0.00 0.00 179.01 178.29 1w58 h GLU 114 N 0.22 0.62 -0.13 1.92 5.08 -1.74 -2.20 114.58 118.35 1w58 h GLU 114 Ca 0.10 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1w58 h GLU 114 Cb 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1w58 h GLU 114 CO -0.08 0.80 0.04 0.82 -1.00 0.00 0.00 179.01 179.58 1w58 h ILE 115 N 0.55 1.19 -0.28 3.13 2.04 -0.99 -2.85 117.51 120.29 1w58 h ILE 115 Ca 0.08 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.39 1w58 h ILE 115 Cb 0.68 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1w58 h ILE 115 CO 0.05 0.18 0.03 0.50 0.00 0.00 0.00 178.15 178.91 1w58 h LYS 116 N 0.02 0.12 0.00 2.37 3.64 -0.92 -1.75 116.57 120.06 1w58 h LYS 116 Ca 0.04 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1w58 h LYS 116 Cb 0.24 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1w58 h LYS 116 CO -0.00 0.08 -0.04 0.00 -2.27 0.00 0.00 179.45 177.22 1w58 h ALA 117 N 1.22 1.28 0.00 5.00 0.00 -1.38 0.14 119.26 125.51 1w58 h ALA 117 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1w58 h ALA 117 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1w58 h ALA 117 CO -0.20 0.05 -0.25 0.00 0.00 0.00 0.00 179.25 178.85 1w58 h ALA 118 N 1.96 0.85 -0.00 0.00 0.00 -1.07 -3.32 119.26 117.68 1w58 h ALA 118 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1w58 h ALA 118 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1w58 h ALA 118 CO 0.01 0.25 0.00 0.44 0.00 0.00 0.00 179.25 179.94 1w58 n ILE 119 N -3.12 0.49 -0.29 0.00 -5.35 -0.82 -4.85 119.36 105.41 1w58 n ILE 119 Ca 0.03 -0.75 0.11 0.00 -0.27 0.00 0.00 62.75 61.87 1w58 n ILE 119 Cb 0.61 0.76 0.25 0.00 -1.74 0.00 0.00 39.64 39.52 1w58 n ILE 119 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1w58 h GLN 120 N 0.02 0.17 -0.65 6.28 5.75 -0.86 -2.17 115.11 123.65 1w58 h GLN 120 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1w58 h GLN 120 Cb 0.25 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1w58 h GLN 120 CO 0.00 0.11 0.00 -0.25 -2.65 0.00 0.00 178.83 176.04 1w58 n ASP 121 N -5.26 4.03 -4.77 -0.69 10.43 -1.26 -4.96 116.55 114.06 1w58 n ASP 121 Ca 0.19 -2.49 -0.39 0.00 2.57 0.00 0.00 54.79 54.67 1w58 n ASP 121 Cb 0.63 -0.56 -0.06 0.00 1.84 0.00 0.00 41.12 42.97 1w58 n ASP 121 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1w58 s SER 122 N -0.68 7.13 0.11 -2.24 0.01 -0.82 -4.89 113.70 112.32 1w58 s SER 122 Ca 0.39 1.34 0.08 0.00 1.31 0.00 0.00 55.95 59.08 1w58 s SER 122 Cb 0.27 -2.42 -0.19 0.00 0.21 0.00 0.00 66.02 63.89 1w58 s SER 122 CO 0.15 0.11 1.21 0.44 0.41 0.00 0.00 173.24 175.56 1w58 h ASP 123 N 5.31 0.00 -3.99 2.44 5.19 -1.34 -3.40 116.42 120.64 1w58 h ASP 123 Ca -0.46 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 55.78 1w58 h ASP 123 Cb 1.20 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.46 1w58 h ASP 123 CO 0.69 0.96 -0.50 -0.32 -3.12 0.00 0.00 179.24 176.95 1w58 s MET 124 N -2.72 0.26 -0.07 3.56 0.00 -0.82 -1.61 119.30 117.91 1w58 s MET 124 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 55.69 55.87 1w58 s MET 124 Cb 0.10 0.12 0.02 0.00 0.00 0.00 0.00 34.83 35.06 1w58 s MET 124 CO 0.81 -0.04 -0.10 0.08 0.00 0.00 0.00 175.02 175.77 1w58 s VAL 125 N -0.14 1.01 -0.19 10.11 1.01 0.64 -1.58 120.40 131.27 1w58 s VAL 125 Ca -0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 1w58 s VAL 125 Cb -0.02 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1w58 s VAL 125 CO 0.01 0.33 0.01 -0.36 0.00 0.00 0.00 175.10 175.09 1w58 s PHE 126 N 0.88 3.09 -0.25 5.22 0.08 -0.10 -0.81 117.98 126.09 1w58 s PHE 126 Ca -0.11 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 1w58 s PHE 126 Cb -0.15 -2.05 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1w58 s PHE 126 CO 0.01 -0.08 -0.02 0.42 -0.10 0.00 0.00 175.22 175.46 1w58 s ILE 127 N 0.68 3.34 0.02 0.64 -1.09 0.13 -0.86 121.20 124.06 1w58 s ILE 127 Ca 0.00 -0.77 0.06 0.00 -2.23 0.00 0.00 60.65 57.71 1w58 s ILE 127 Cb -0.14 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 38.07 1w58 s ILE 127 CO 0.02 0.23 -0.17 0.28 -1.23 0.00 0.00 174.94 174.08 1w58 s THR 128 N 1.42 1.31 0.04 2.92 -1.32 0.18 -1.29 115.64 118.91 1w58 s THR 128 Ca 0.03 -0.94 -0.29 0.00 -1.21 0.00 0.00 61.69 59.28 1w58 s THR 128 Cb -0.16 -1.14 0.10 0.00 -1.51 0.00 0.00 72.50 69.79 1w58 s THR 128 CO -0.02 0.18 1.17 0.00 -2.21 0.00 0.00 174.62 173.74 1w58 s GLY 130 N -2.94 1.90 0.42 0.00 0.00 -1.26 -2.91 107.32 102.53 1w58 s GLY 130 Ca 0.13 -0.98 -0.18 0.00 0.00 0.00 0.00 44.72 43.70 1w58 s GLY 130 CO -0.02 0.43 0.89 1.08 0.00 0.00 0.00 173.10 175.49 1w58 s LEU 131 N 1.26 3.89 0.00 0.66 1.43 -0.49 -4.48 118.68 120.95 1w58 s LEU 131 Ca 0.06 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 1w58 s LEU 131 Cb -0.14 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.69 1w58 s LEU 131 CO 0.05 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1w58 n GLY 132 N -0.84 2.98 0.00 -3.19 0.00 -1.26 -3.94 105.19 98.94 1w58 n GLY 132 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1w58 n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w58 n GLY 133 N 0.00 1.25 0.13 -0.02 0.00 -1.26 -4.70 105.19 100.58 1w58 n GLY 133 Ca 0.00 -1.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 1w58 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w58 n GLY 134 N 5.00 -0.49 0.07 -0.02 0.00 -1.25 -4.19 105.19 104.30 1w58 n GLY 134 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1w58 n GLY 134 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1w58 h THR 135 N 0.01 1.64 -0.06 2.61 2.02 -1.90 -2.89 112.91 114.34 1w58 h THR 135 Ca -0.55 -1.96 -0.01 0.00 0.77 0.00 0.00 66.41 64.65 1w58 h THR 135 Cb 1.97 2.96 -0.00 0.00 -1.74 0.00 0.00 68.15 71.34 1w58 h THR 135 CO -0.05 0.52 -0.01 1.23 0.37 0.00 0.00 175.52 177.58 1w58 h GLY 136 N -0.77 0.11 1.17 2.16 0.00 -1.84 -0.11 103.07 103.79 1w58 h GLY 136 Ca -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.24 1w58 h GLY 136 CO 0.01 0.08 0.55 -0.84 0.00 0.00 0.00 176.54 176.34 1w58 h THR 137 N -0.23 1.22 0.18 4.70 2.02 -1.73 -1.37 112.91 117.69 1w58 h THR 137 Ca 0.01 -0.41 -0.31 0.00 0.77 0.00 0.00 66.41 66.48 1w58 h THR 137 Cb 0.39 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1w58 h THR 137 CO 0.01 0.21 -1.47 1.23 0.37 0.00 0.00 175.52 175.87 1w58 h GLY 138 N 1.14 0.43 1.81 2.16 0.00 -1.53 -3.40 103.07 103.68 1w58 h GLY 138 Ca 0.31 -1.09 -0.16 0.00 0.00 0.00 0.00 47.33 46.39 1w58 h GLY 138 CO -0.06 0.96 -0.84 1.48 0.00 0.00 0.00 176.54 178.07 1w58 h SER 139 N -0.07 0.00 -0.36 0.19 4.64 -0.98 -3.31 113.55 113.66 1w58 h SER 139 Ca -0.29 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.11 1w58 h SER 139 Cb 1.96 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.98 1w58 h SER 139 CO 0.16 0.69 -0.09 0.00 -0.87 0.00 0.00 176.83 176.73 1w58 h ALA 140 N 1.31 0.24 0.00 5.18 0.00 -1.44 -0.13 119.26 124.43 1w58 h ALA 140 Ca -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1w58 h ALA 140 Cb 1.56 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1w58 h ALA 140 CO 0.08 -0.45 -0.07 -1.35 0.00 0.00 0.00 179.25 177.46 1w58 h PRO 141 N 0.00 0.00 0.04 0.00 0.11 -1.81 -0.57 132.00 129.77 1w58 h PRO 141 Ca 0.17 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.13 1w58 h PRO 141 Cb 0.27 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.39 1w58 h PRO 141 CO -0.37 0.07 -0.61 0.28 -0.21 0.00 0.00 178.00 177.16 1w58 h VAL 142 N 0.00 1.47 -0.84 3.15 2.07 -1.53 -1.96 116.25 118.61 1w58 h VAL 142 Ca -0.00 -2.20 -0.02 0.00 0.82 0.00 0.00 66.70 65.30 1w58 h VAL 142 Cb 0.14 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1w58 h VAL 142 CO 0.01 0.63 0.45 0.58 0.02 0.00 0.00 177.57 179.26 1w58 h VAL 143 N -0.24 1.25 -0.70 2.57 2.07 -0.67 -2.20 116.25 118.33 1w58 h VAL 143 Ca -0.09 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 1w58 h VAL 143 Cb 1.37 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1w58 h VAL 143 CO 0.12 0.28 0.15 0.00 0.02 0.00 0.00 177.57 178.13 1w58 h ALA 144 N 1.24 0.93 -0.56 1.67 0.00 -1.13 -1.73 119.26 119.69 1w58 h ALA 144 Ca 0.29 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1w58 h ALA 144 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1w58 h ALA 144 CO -0.05 0.67 0.05 1.49 0.00 0.00 0.00 179.25 181.42 1w58 h GLU 145 N 1.07 0.93 -0.57 0.00 4.81 -1.06 -1.80 114.58 117.96 1w58 h GLU 145 Ca 0.22 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1w58 h GLU 145 Cb 0.41 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1w58 h GLU 145 CO 0.01 0.89 -0.06 0.82 -0.73 0.00 0.00 179.01 179.94 1w58 h ILE 146 N 0.87 1.27 -0.19 2.32 1.08 -1.18 -2.32 117.51 119.35 1w58 h ILE 146 Ca 0.17 -1.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 1w58 h ILE 146 Cb 0.44 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 1w58 h ILE 146 CO 0.02 0.43 0.13 -1.28 -0.69 0.00 0.00 178.15 176.76 1w58 h SER 147 N 0.93 0.22 -0.49 1.72 0.87 -1.02 -2.40 113.55 113.39 1w58 h SER 147 Ca 0.15 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 1w58 h SER 147 Cb 0.62 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1w58 h SER 147 CO 0.04 0.17 -0.01 0.11 -0.53 0.00 0.00 176.83 176.61 1w58 h LYS 148 N 0.26 0.93 -0.92 2.24 1.57 -1.31 -2.73 116.57 116.60 1w58 h LYS 148 Ca 0.07 -0.28 0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1w58 h LYS 148 Cb -0.02 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.13 1w58 h LYS 148 CO -0.01 0.92 0.60 -0.22 -0.57 0.00 0.00 179.45 180.17 1w58 h LYS 149 N 0.85 1.01 -0.00 3.15 3.64 -1.12 -1.13 116.57 122.97 1w58 h LYS 149 Ca 0.16 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1w58 h LYS 149 Cb 0.51 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1w58 h LYS 149 CO 0.03 0.67 -0.06 0.44 -2.27 0.00 0.00 179.45 178.25 1w58 n ILE 150 N -4.50 0.00 -0.18 2.00 -5.35 -0.93 -4.94 119.36 105.47 1w58 n ILE 150 Ca 0.14 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 1w58 n ILE 150 Cb 0.21 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 1w58 n ILE 150 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1w58 n GLY 151 N 1.23 0.78 3.85 3.28 0.00 -0.43 -5.08 105.19 108.83 1w58 n GLY 151 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1w58 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w58 s ALA 152 N -2.14 3.21 -0.00 4.61 0.00 -1.08 -5.00 121.76 121.36 1w58 s ALA 152 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 1w58 s ALA 152 Cb 0.00 -2.91 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 1w58 s ALA 152 CO 0.00 0.06 1.31 -1.17 0.00 0.00 0.00 175.76 175.96 1w58 s LEU 153 N -3.53 4.31 -0.36 0.00 0.20 -0.63 -4.49 118.68 114.19 1w58 s LEU 153 Ca 0.56 2.02 -0.04 0.00 0.69 0.00 0.00 54.13 57.36 1w58 s LEU 153 Cb -0.10 -3.56 0.07 0.00 -0.43 0.00 0.00 46.19 42.17 1w58 s LEU 153 CO 0.24 -0.64 0.13 -0.89 -0.29 0.00 0.00 176.35 174.89 1w58 s THR 154 N 2.10 3.48 -0.05 3.68 2.01 -1.26 -0.26 115.64 125.34 1w58 s THR 154 Ca 0.61 -1.51 0.07 0.00 0.31 0.00 0.00 61.69 61.17 1w58 s THR 154 Cb -0.29 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 1w58 s THR 154 CO 0.26 -0.35 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.89 1w58 s VAL 155 N 1.29 2.03 -0.05 3.82 1.01 0.01 -0.64 120.40 127.86 1w58 s VAL 155 Ca 0.01 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1w58 s VAL 155 Cb -0.21 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1w58 s VAL 155 CO -0.00 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.50 1w58 s ALA 156 N -0.27 2.56 -0.27 5.51 0.00 -1.01 0.20 121.76 128.49 1w58 s ALA 156 Ca -0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 1w58 s ALA 156 Cb -0.13 -0.91 0.08 0.00 0.00 0.00 0.00 23.12 22.16 1w58 s ALA 156 CO 0.02 0.52 0.05 0.08 0.00 0.00 0.00 175.76 176.44 1w58 s VAL 157 N -0.58 0.94 0.16 0.00 1.01 -0.41 -0.28 120.40 121.23 1w58 s VAL 157 Ca 0.08 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 60.93 1w58 s VAL 157 Cb -0.11 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1w58 s VAL 157 CO 0.01 -0.45 -0.07 0.68 0.00 0.00 0.00 175.10 175.27 1w58 s VAL 158 N 1.62 1.03 0.16 2.92 -7.23 -0.68 -3.51 120.40 114.71 1w58 s VAL 158 Ca 0.04 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.26 1w58 s VAL 158 Cb -0.18 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1w58 s VAL 158 CO -0.17 -0.67 -0.09 0.42 -0.31 0.00 0.00 175.10 174.28 1w58 s THR 159 N -3.42 3.26 -0.02 5.32 -4.23 -1.15 -0.89 115.64 114.51 1w58 s THR 159 Ca 0.19 -1.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 1w58 s THR 159 Cb 0.04 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1w58 s THR 159 CO 0.01 -0.05 0.19 -0.76 -0.54 0.00 0.00 174.62 173.48 1w58 s LEU 160 N -2.67 4.37 0.86 4.79 1.02 -0.53 -1.39 118.68 125.14 1w58 s LEU 160 Ca 0.24 0.41 -0.11 0.00 0.02 0.00 0.00 54.13 54.69 1w58 s LEU 160 Cb -0.09 -2.55 0.11 0.00 0.02 0.00 0.00 46.19 43.68 1w58 s LEU 160 CO 0.15 0.28 1.10 -2.16 0.02 0.00 0.00 176.35 175.74 1w58 s PRO 161 N -1.77 1.49 0.74 1.29 0.04 -1.25 -2.19 135.00 133.34 1w58 s PRO 161 Ca 0.26 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 1w58 s PRO 161 Cb -0.13 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.64 1w58 s PRO 161 CO 0.16 -2.16 1.11 -0.06 0.04 0.00 0.00 177.00 176.09 1w58 s PHE 162 N -2.84 2.48 0.22 0.56 0.08 -1.26 -4.37 117.98 112.86 1w58 s PHE 162 Ca 0.63 1.58 0.02 0.00 0.12 0.00 0.00 56.93 59.28 1w58 s PHE 162 Cb -0.19 -3.14 0.21 0.00 -0.57 0.00 0.00 43.02 39.33 1w58 s PHE 162 CO 0.57 -1.89 1.55 -0.39 -0.10 0.00 0.00 175.22 174.96 1w58 h VAL 163 N -0.70 1.36 0.00 -0.44 -1.51 -1.95 -2.76 116.25 110.25 1w58 h VAL 163 Ca -0.45 -1.89 0.00 0.00 -1.23 0.00 0.00 66.70 63.13 1w58 h VAL 163 Cb 1.24 1.91 0.00 0.00 -2.13 0.00 0.00 31.29 32.31 1w58 h VAL 163 CO 0.51 0.57 0.21 0.00 -1.23 0.00 0.00 177.57 177.63 1w58 h MET 164 N 0.26 0.00 0.00 5.19 -0.00 -2.03 0.57 114.93 118.92 1w58 h MET 164 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1w58 h MET 164 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 1w58 h MET 164 CO 0.10 0.00 0.00 0.93 -0.00 0.00 0.00 176.91 177.94 1w58 h GLU 165 N 0.00 0.00 0.00 -0.10 5.08 -1.86 -3.49 114.58 114.21 1w58 h GLU 165 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1w58 h GLU 165 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1w58 h GLU 165 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1w58 n GLY 166 N 0.25 1.25 0.14 -3.84 0.00 0.20 -4.60 105.19 98.59 1w58 n GLY 166 Ca 0.02 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 1w58 n GLY 166 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w58 h LYS 167 N 0.00 0.40 -0.67 1.61 1.79 -1.94 -2.79 116.57 114.97 1w58 h LYS 167 Ca 0.00 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1w58 h LYS 167 Cb 0.00 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 1w58 h LYS 167 CO 0.00 0.31 0.30 0.28 -1.08 0.00 0.00 179.45 179.26 1w58 h VAL 168 N 0.37 1.22 -0.24 0.50 2.07 -1.97 0.03 116.25 118.23 1w58 h VAL 168 Ca 0.10 -0.66 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 1w58 h VAL 168 Cb 0.02 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1w58 h VAL 168 CO -0.02 0.27 -0.37 -0.09 0.02 0.00 0.00 177.57 177.39 1w58 h ARG 169 N 0.95 0.53 -0.05 1.57 2.43 -1.79 -2.31 114.38 115.71 1w58 h ARG 169 Ca 0.23 -0.25 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 1w58 h ARG 169 Cb 0.14 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1w58 h ARG 169 CO -0.03 0.82 -0.52 1.98 -1.51 0.00 0.00 179.97 180.71 1w58 h MET 170 N 0.44 0.44 -0.80 0.20 4.05 -1.14 -2.35 114.93 115.77 1w58 h MET 170 Ca 0.04 -0.41 0.07 0.00 -0.28 0.00 0.00 59.70 59.13 1w58 h MET 170 Cb 0.85 0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.68 1w58 h MET 170 CO 0.07 1.06 0.48 -0.22 0.23 0.00 0.00 176.91 178.52 1w58 h LYS 171 N -0.03 0.83 -0.39 0.39 3.64 -0.98 0.11 116.57 120.14 1w58 h LYS 171 Ca -0.05 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 1w58 h LYS 171 Cb 1.20 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1w58 h LYS 171 CO 0.11 0.55 -0.12 -0.91 -2.27 0.00 0.00 179.45 176.80 1w58 h ASN 172 N 0.85 0.68 -0.20 4.20 -0.26 -1.41 -1.90 115.58 117.54 1w58 h ASN 172 Ca 0.36 -0.20 -0.04 0.00 -0.56 0.00 0.00 56.30 55.87 1w58 h ASN 172 Cb 0.23 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1w58 h ASN 172 CO -0.20 0.82 -0.01 0.00 -1.06 0.00 0.00 177.43 176.98 1w58 h ALA 173 N 1.24 0.27 -0.43 -0.83 0.00 -0.73 -1.94 119.26 116.84 1w58 h ALA 173 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1w58 h ALA 173 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1w58 h ALA 173 CO 0.04 0.01 0.22 0.52 0.00 0.00 0.00 179.25 180.03 1w58 h MET 174 N 0.11 0.60 -0.30 0.00 2.86 -0.70 -0.45 114.93 117.05 1w58 h MET 174 Ca 0.05 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1w58 h MET 174 Cb 0.42 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1w58 h MET 174 CO 0.01 0.50 0.05 0.93 1.06 0.00 0.00 176.91 179.45 1w58 h GLU 175 N 0.55 0.44 -0.16 1.72 5.08 -1.34 -1.67 114.58 119.21 1w58 h GLU 175 Ca 0.15 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1w58 h GLU 175 Cb 0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1w58 h GLU 175 CO -0.02 0.43 -0.57 0.78 -1.00 0.00 0.00 179.01 178.63 1w58 h GLY 176 N 0.70 0.55 0.99 -3.84 0.00 -0.75 -2.19 103.07 98.54 1w58 h GLY 176 Ca 0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 1w58 h GLY 176 CO 0.00 0.59 0.19 -2.00 0.00 0.00 0.00 176.54 175.32 1w58 h LEU 177 N 0.38 0.79 0.24 3.11 5.85 -0.39 -0.53 115.31 124.76 1w58 h LEU 177 Ca 0.00 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1w58 h LEU 177 Cb 1.11 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1w58 h LEU 177 CO 0.10 0.77 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.71 1w58 h GLU 178 N 0.76 -0.41 -0.92 1.25 4.57 -1.25 -1.50 114.58 117.07 1w58 h GLU 178 Ca 0.18 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.46 1w58 h GLU 178 Cb 0.25 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.87 1w58 h GLU 178 CO -0.01 -0.27 0.60 -0.09 -1.18 0.00 0.00 179.01 178.06 1w58 h ARG 179 N -0.42 0.99 0.00 1.92 2.43 -1.16 -2.43 114.38 115.71 1w58 h ARG 179 Ca -0.02 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 1w58 h ARG 179 Cb 0.37 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1w58 h ARG 179 CO -0.00 0.66 -0.50 1.25 -1.51 0.00 0.00 179.97 179.86 1w58 h LEU 180 N 1.02 0.00 -1.18 3.80 5.85 -0.76 -3.21 115.31 120.84 1w58 h LEU 180 Ca 0.41 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.12 1w58 h LEU 180 Cb 0.25 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1w58 h LEU 180 CO -0.16 0.50 0.45 0.50 -0.34 0.00 0.00 178.44 179.39 1w58 h LYS 181 N 0.00 1.01 0.00 1.25 3.64 -0.76 -2.82 116.57 118.89 1w58 h LYS 181 Ca -0.01 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1w58 h LYS 181 Cb 1.00 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1w58 h LYS 181 CO 0.07 0.71 0.00 1.04 -2.27 0.00 0.00 179.45 178.99 1w58 n GLN 182 N -4.39 0.16 -0.80 1.90 6.02 -1.21 -3.28 117.38 115.79 1w58 n GLN 182 Ca 0.08 0.35 0.05 0.00 -0.01 0.00 0.00 57.00 57.48 1w58 n GLN 182 Cb 0.07 -1.78 0.12 0.00 1.02 0.00 0.00 30.24 29.67 1w58 n GLN 182 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1w58 n HIS 183 N -2.07 0.00 -4.35 1.08 8.25 -1.07 -5.04 115.22 112.01 1w58 n HIS 183 Ca 0.03 -1.00 -0.19 0.00 -0.26 0.00 0.00 57.72 56.30 1w58 n HIS 183 Cb 0.24 -0.19 -0.14 0.00 1.12 0.00 0.00 29.99 31.03 1w58 n HIS 183 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1w58 s THR 184 N -1.92 0.98 -0.09 1.59 -1.32 -1.19 -4.20 115.64 109.49 1w58 s THR 184 Ca 0.33 -0.86 -0.17 0.00 -1.21 0.00 0.00 61.69 59.78 1w58 s THR 184 Cb 0.33 -0.89 -0.14 0.00 -1.51 0.00 0.00 72.50 70.30 1w58 s THR 184 CO -0.08 0.03 0.59 0.44 -2.21 0.00 0.00 174.62 173.39 1w58 h ASP 185 N 5.15 -0.09 -3.76 8.08 3.45 -1.16 -3.46 116.42 124.64 1w58 h ASP 185 Ca -0.36 -0.43 -0.39 0.00 0.43 0.00 0.00 57.03 56.28 1w58 h ASP 185 Cb 1.18 0.02 -0.31 0.00 -0.56 0.00 0.00 39.33 39.66 1w58 h ASP 185 CO 0.45 0.57 -0.77 0.28 -1.57 0.00 0.00 179.24 178.20 1w58 s THR 186 N -2.54 0.61 -0.33 0.35 -1.32 -1.18 -2.62 115.64 108.61 1w58 s THR 186 Ca -0.11 -0.26 -0.01 0.00 -1.21 0.00 0.00 61.69 60.11 1w58 s THR 186 Cb -0.01 -0.56 0.07 0.00 -1.51 0.00 0.00 72.50 70.50 1w58 s THR 186 CO 0.39 0.20 0.05 -0.22 -2.21 0.00 0.00 174.62 172.84 1w58 s LEU 187 N 0.28 4.33 -0.40 9.08 2.96 0.38 -2.40 118.68 132.91 1w58 s LEU 187 Ca -0.04 -1.60 -0.20 0.00 -0.22 0.00 0.00 54.13 52.07 1w58 s LEU 187 Cb -0.08 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1w58 s LEU 187 CO 0.00 -0.34 0.60 -0.69 -1.32 0.00 0.00 176.35 174.60 1w58 s VAL 188 N 1.16 4.89 -0.19 1.68 1.01 0.61 -0.19 120.40 129.39 1w58 s VAL 188 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 1w58 s VAL 188 Cb -0.20 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1w58 s VAL 188 CO -0.03 -0.44 0.05 0.68 0.00 0.00 0.00 175.10 175.35 1w58 s VAL 189 N 2.67 4.59 -0.31 2.92 -7.23 -0.76 -1.69 120.40 120.59 1w58 s VAL 189 Ca 0.22 -0.10 -0.03 0.00 -1.81 0.00 0.00 61.98 60.25 1w58 s VAL 189 Cb -0.15 -3.07 0.05 0.00 0.56 0.00 0.00 36.38 33.77 1w58 s VAL 189 CO 0.17 0.45 0.02 -0.63 -0.31 0.00 0.00 175.10 174.80 1w58 s ILE 190 N 0.51 3.20 -0.60 -0.62 -1.09 -0.07 -4.53 121.20 118.01 1w58 s ILE 190 Ca 0.02 -1.29 -0.25 0.00 -2.23 0.00 0.00 60.65 56.89 1w58 s ILE 190 Cb -0.13 -2.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.97 1w58 s ILE 190 CO 0.01 -0.11 1.05 -2.84 -1.23 0.00 0.00 174.94 171.82 1w58 s PRO 191 N 1.30 3.32 0.51 2.79 0.02 -1.26 -1.45 135.00 140.24 1w58 s PRO 191 Ca -0.04 -0.22 0.34 0.00 0.02 0.00 0.00 61.00 61.09 1w58 s PRO 191 Cb -0.20 -4.09 1.48 0.00 0.02 0.00 0.00 34.50 31.72 1w58 s PRO 191 CO -0.00 -1.67 1.79 -0.91 -0.33 0.00 0.00 177.00 175.88 1w58 h ASN 192 N 9.50 0.09 -0.01 2.53 -0.26 -1.69 -1.01 115.58 124.72 1w58 h ASN 192 Ca -0.26 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 1w58 h ASN 192 Cb 1.07 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.33 1w58 h ASN 192 CO 1.15 0.01 0.01 -0.08 -1.06 0.00 0.00 177.43 177.46 1w58 h GLU 193 N 0.07 0.00 0.00 0.81 4.57 -1.79 -1.06 114.58 117.18 1w58 h GLU 193 Ca 0.59 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.77 1w58 h GLU 193 Cb 2.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.78 1w58 h GLU 193 CO -0.07 0.00 0.00 0.87 -1.18 0.00 0.00 179.01 178.63 1w58 h LYS 194 N 0.00 0.00 -0.11 1.92 1.79 -1.54 -2.99 116.57 115.64 1w58 h LYS 194 Ca 0.00 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1w58 h LYS 194 Cb 0.02 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1w58 h LYS 194 CO -0.00 0.00 0.19 -0.07 -1.08 0.00 0.00 179.45 178.49 1w58 h LEU 195 N 0.00 0.00 -0.88 2.94 4.07 -1.34 0.22 115.31 120.32 1w58 h LEU 195 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1w58 h LEU 195 Cb 0.52 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1w58 h LEU 195 CO 0.00 0.00 -0.29 -0.26 -1.08 0.00 0.00 178.44 176.81 1w58 h PHE 196 N 0.00 0.00 0.00 1.13 0.05 -1.72 -2.42 116.94 113.99 1w58 h PHE 196 Ca 0.05 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.84 1w58 h PHE 196 Cb 0.43 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.38 1w58 h PHE 196 CO 0.00 0.29 0.00 0.93 -0.18 0.00 0.00 178.31 179.35 1w58 h GLU 197 N 0.00 0.00 0.14 1.51 5.08 -1.16 0.18 114.58 120.33 1w58 h GLU 197 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1w58 h GLU 197 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1w58 h GLU 197 CO 0.04 0.00 -1.70 0.82 -1.00 0.00 0.00 179.01 177.17 1w58 h ILE 198 N 0.00 0.88 -2.56 3.13 2.04 -1.46 -3.42 117.51 116.12 1w58 h ILE 198 Ca 0.00 -2.42 -0.60 0.00 1.00 0.00 0.00 64.86 62.85 1w58 h ILE 198 Cb 0.70 2.66 -0.39 0.00 -0.74 0.00 0.00 36.82 39.05 1w58 h ILE 198 CO 0.00 0.80 -0.87 0.54 0.00 0.00 0.00 178.15 178.62 1w58 s VAL 199 N -2.53 0.86 0.13 1.67 0.11 -0.95 -5.05 120.40 114.64 1w58 s VAL 199 Ca -0.19 -2.85 -0.25 0.00 -2.93 0.00 0.00 61.98 55.75 1w58 s VAL 199 Cb 0.05 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 33.26 1w58 s VAL 199 CO 0.79 -1.15 1.28 -2.65 -3.33 0.00 0.00 175.10 170.04 1w58 n PRO 200 N 2.85 -0.36 -3.53 1.54 -0.02 0.62 -3.57 135.00 132.53 1w58 n PRO 200 Ca 0.25 1.25 -0.42 0.00 -2.02 0.00 0.00 63.50 62.57 1w58 n PRO 200 Cb 0.44 -1.84 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 1w58 n PRO 200 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1w58 s ASN 201 N -5.41 5.97 0.05 2.55 -0.87 -1.26 -4.90 114.94 111.07 1w58 s ASN 201 Ca -0.10 -2.74 0.07 0.00 -1.57 0.00 0.00 52.86 48.53 1w58 s ASN 201 Cb 0.09 -2.03 -0.03 0.00 -0.02 0.00 0.00 41.25 39.27 1w58 s ASN 201 CO 0.52 -0.48 -0.20 -0.32 -2.57 0.00 0.00 177.10 174.04 1w58 s MET 202 N 0.11 1.32 0.27 -0.60 -2.45 -1.23 -5.15 119.30 111.57 1w58 s MET 202 Ca 0.17 -0.97 -0.07 0.00 -1.25 0.00 0.00 55.69 53.57 1w58 s MET 202 Cb -0.16 -1.46 -0.06 0.00 1.25 0.00 0.00 34.83 34.40 1w58 s MET 202 CO -0.06 0.37 0.55 -2.14 1.05 0.00 0.00 175.02 174.79 1w58 s PRO 203 N -1.31 3.69 0.52 4.11 0.02 -1.26 -4.95 135.00 135.81 1w58 s PRO 203 Ca 0.07 0.10 0.26 0.00 0.02 0.00 0.00 61.00 61.45 1w58 s PRO 203 Cb -0.09 -2.64 1.37 0.00 0.02 0.00 0.00 34.50 33.16 1w58 s PRO 203 CO 0.02 0.24 1.95 1.25 -0.33 0.00 0.00 177.00 180.13 1w58 h LEU 204 N 1.96 0.06 -0.05 -5.54 7.12 -2.01 -0.81 115.31 116.04 1w58 h LEU 204 Ca -0.47 0.00 0.01 0.00 0.13 0.00 0.00 57.88 57.56 1w58 h LEU 204 Cb 1.18 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.28 1w58 h LEU 204 CO 0.67 0.03 -0.27 0.50 -0.13 0.00 0.00 178.44 179.24 1w58 h LYS 205 N 0.06 -0.29 0.00 1.25 3.11 -2.03 -1.44 116.57 117.23 1w58 h LYS 205 Ca 0.33 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 1w58 h LYS 205 Cb 1.23 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.53 1w58 h LYS 205 CO -0.02 -0.19 0.00 1.28 -2.81 0.00 0.00 179.45 177.70 1w58 n LEU 206 N -3.96 0.04 0.12 5.20 7.99 -0.78 -3.94 117.00 121.67 1w58 n LEU 206 Ca -0.03 0.51 -0.09 0.00 -0.01 0.00 0.00 56.01 56.38 1w58 n LEU 206 Cb 0.19 -0.50 -0.05 0.00 -0.11 0.00 0.00 43.42 42.95 1w58 n LEU 206 CO 0.05 -0.15 0.51 0.00 -1.51 0.00 0.00 177.39 176.29 1w58 h ALA 207 N 2.71 -0.90 0.00 -1.18 0.00 -0.03 -0.67 119.26 119.17 1w58 h ALA 207 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1w58 h ALA 207 Cb 0.37 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1w58 h ALA 207 CO 0.00 -0.94 0.00 1.19 0.00 0.00 0.00 179.25 179.50 1w58 n PHE 208 N -3.98 0.00 0.05 0.00 3.72 -1.23 -1.42 117.46 114.61 1w58 n PHE 208 Ca -0.06 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.16 1w58 n PHE 208 Cb 0.23 -0.39 -0.14 0.00 -0.94 0.00 0.00 39.48 38.24 1w58 n PHE 208 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1w58 h LYS 209 N 0.00 0.26 -0.08 -1.08 1.79 -1.50 -2.70 116.57 113.25 1w58 h LYS 209 Ca 0.00 -0.44 -0.03 0.00 -2.18 0.00 0.00 60.65 57.99 1w58 h LYS 209 Cb 0.11 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1w58 h LYS 209 CO 0.00 1.12 -0.08 0.28 -1.08 0.00 0.00 179.45 179.69 1w58 h VAL 210 N 0.07 1.36 -0.68 0.50 2.07 0.05 -2.42 116.25 117.21 1w58 h VAL 210 Ca -0.30 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.08 1w58 h VAL 210 Cb 2.04 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 33.75 1w58 h VAL 210 CO 0.15 0.34 0.45 0.00 0.02 0.00 0.00 177.57 178.52 1w58 h ALA 211 N 0.58 1.78 -0.14 1.67 0.00 -1.42 -0.45 119.26 121.27 1w58 h ALA 211 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1w58 h ALA 211 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1w58 h ALA 211 CO 0.02 0.11 0.07 -0.44 0.00 0.00 0.00 179.25 179.01 1w58 h ASP 212 N 0.66 0.19 -0.16 0.00 3.32 -1.29 -1.69 116.42 117.45 1w58 h ASP 212 Ca 0.30 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1w58 h ASP 212 Cb 0.31 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1w58 h ASP 212 CO -0.10 0.27 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.50 1w58 h GLU 213 N 0.10 -0.11 -0.10 3.56 4.57 -0.64 -1.50 114.58 120.46 1w58 h GLU 213 Ca 0.05 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.27 1w58 h GLU 213 Cb 0.13 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1w58 h GLU 213 CO -0.01 -0.07 -0.10 0.28 -1.18 0.00 0.00 179.01 177.93 1w58 h VAL 214 N -0.11 0.72 -0.40 0.32 2.07 -1.10 -1.61 116.25 116.14 1w58 h VAL 214 Ca 0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1w58 h VAL 214 Cb 0.26 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 1w58 h VAL 214 CO -0.23 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.28 1w58 h LEU 215 N -0.12 -0.18 -1.05 2.57 3.38 -0.91 -0.36 115.31 118.65 1w58 h LEU 215 Ca 0.07 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1w58 h LEU 215 Cb 0.22 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1w58 h LEU 215 CO -0.17 -0.05 0.42 0.40 0.09 0.00 0.00 178.44 179.13 1w58 h ILE 216 N 0.10 1.23 -0.30 1.22 5.03 -0.97 -1.02 117.51 122.80 1w58 h ILE 216 Ca 0.20 -0.59 -0.13 0.00 -0.12 0.00 0.00 64.86 64.22 1w58 h ILE 216 Cb 0.28 0.18 -0.01 0.00 -3.03 0.00 0.00 36.82 34.24 1w58 h ILE 216 CO -0.33 0.26 -0.35 0.78 -0.68 0.00 0.00 178.15 177.83 1w58 h ASN 217 N 1.09 0.70 0.34 1.72 2.35 -0.54 0.13 115.58 121.38 1w58 h ASN 217 Ca 0.28 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1w58 h ASN 217 Cb 0.04 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1w58 h ASN 217 CO -0.04 0.99 -0.16 0.00 -1.65 0.00 0.00 177.43 176.56 1w58 h ALA 218 N 1.05 -0.46 -0.27 -0.83 0.00 -0.72 0.83 119.26 118.87 1w58 h ALA 218 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1w58 h ALA 218 Cb 0.86 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1w58 h ALA 218 CO 0.07 -0.56 0.12 0.28 0.00 0.00 0.00 179.25 179.16 1w58 h VAL 219 N -0.85 1.16 -0.07 0.00 2.07 -1.21 -1.26 116.25 116.09 1w58 h VAL 219 Ca -0.05 -0.46 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 1w58 h VAL 219 Cb 0.53 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1w58 h VAL 219 CO 0.08 0.16 -0.53 0.50 0.02 0.00 0.00 177.57 177.80 1w58 h LYS 220 N 0.29 0.19 -0.52 1.57 3.64 -0.83 -1.79 116.57 119.12 1w58 h LYS 220 Ca 0.09 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1w58 h LYS 220 Cb 0.14 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1w58 h LYS 220 CO -0.01 0.68 -0.07 0.78 -2.27 0.00 0.00 179.45 178.56 1w58 h GLY 221 N 1.42 1.05 0.67 5.01 0.00 -0.55 -0.40 103.07 110.27 1w58 h GLY 221 Ca 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 1w58 h GLY 221 CO 0.08 0.76 -0.15 1.41 0.00 0.00 0.00 176.54 178.63 1w58 h LEU 222 N 0.84 0.30 -0.21 3.11 3.38 -1.17 -1.73 115.31 119.84 1w58 h LEU 222 Ca 0.14 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1w58 h LEU 222 Cb 0.62 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1w58 h LEU 222 CO 0.04 0.78 0.14 0.58 0.09 0.00 0.00 178.44 180.07 1w58 h VAL 223 N -0.16 1.05 -0.31 1.22 2.07 -1.28 -2.55 116.25 116.30 1w58 h VAL 223 Ca 0.01 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1w58 h VAL 223 Cb 0.71 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1w58 h VAL 223 CO 0.04 0.05 -0.16 -0.33 0.02 0.00 0.00 177.57 177.19 1w58 h GLU 224 N 0.28 0.55 -1.00 1.57 5.08 -1.12 0.23 114.58 120.18 1w58 h GLU 224 Ca 0.08 -0.18 0.11 0.00 -1.00 0.00 0.00 59.36 58.37 1w58 h GLU 224 Cb -0.03 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.09 1w58 h GLU 224 CO -0.02 0.69 0.63 1.25 -1.00 0.00 0.00 179.01 180.56 1w58 h LEU 225 N 0.50 0.93 0.14 1.33 5.85 -0.96 0.43 115.31 123.54 1w58 h LEU 225 Ca 0.09 0.04 -0.29 0.00 0.84 0.00 0.00 57.88 58.56 1w58 h LEU 225 Cb 0.57 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.46 1w58 h LEU 225 CO 0.04 0.51 -1.32 0.40 -0.34 0.00 0.00 178.44 177.73 1w58 h ILE 226 N 1.01 1.41 0.00 4.05 1.08 -0.94 -3.41 117.51 120.72 1w58 h ILE 226 Ca 0.48 -2.98 0.00 0.00 -0.39 0.00 0.00 64.86 61.98 1w58 h ILE 226 Cb 0.44 2.92 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 1w58 h ILE 226 CO -0.25 0.87 -0.62 1.07 -0.69 0.00 0.00 178.15 178.53 1w58 n THR 227 N -3.53 0.00 -3.39 -0.27 5.66 0.71 -4.91 114.28 108.55 1w58 n THR 227 Ca -0.11 -0.27 -0.37 0.00 -3.05 0.00 0.00 64.05 60.24 1w58 n THR 227 Cb 1.04 0.86 -0.06 0.00 -1.55 0.00 0.00 70.33 70.61 1w58 n THR 227 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1w58 s LYS 228 N -2.00 4.31 0.03 1.09 2.20 0.15 -4.88 119.74 120.64 1w58 s LYS 228 Ca 0.02 0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.67 1w58 s LYS 228 Cb 0.07 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.87 1w58 s LYS 228 CO 0.37 0.19 1.82 -0.51 -0.36 0.00 0.00 175.35 176.86 1w58 s ASP 229 N 0.56 6.52 0.00 1.43 -0.00 -1.26 -4.87 116.67 119.05 1w58 s ASP 229 Ca 0.23 2.55 0.00 0.00 -0.00 0.00 0.00 52.55 55.33 1w58 s ASP 229 Cb -0.14 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.23 1w58 s ASP 229 CO 0.08 -0.99 0.00 0.61 -0.00 0.00 0.00 175.17 174.87 1w58 n GLY 230 N 4.31 6.77 0.22 0.21 0.00 -1.26 -4.80 105.19 110.64 1w58 n GLY 230 Ca 0.18 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.47 1w58 n GLY 230 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1w58 n LEU 231 N 0.00 0.74 -3.68 0.99 4.77 -0.65 -4.77 117.00 114.39 1w58 n LEU 231 Ca 0.00 -0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 55.65 1w58 n LEU 231 Cb 0.00 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 1w58 n LEU 231 CO 0.00 0.13 0.21 -0.51 -1.33 0.00 0.00 177.39 175.89 1w58 s ILE 232 N -2.20 0.01 -0.02 -0.08 -1.16 -1.26 -4.98 121.20 111.51 1w58 s ILE 232 Ca 0.36 -0.08 -0.23 0.00 -0.51 0.00 0.00 60.65 60.19 1w58 s ILE 232 Cb 0.21 -0.75 -0.05 0.00 0.61 0.00 0.00 42.46 42.48 1w58 s ILE 232 CO 0.40 -0.04 0.70 0.21 -2.81 0.00 0.00 174.94 173.40 1w58 s ASN 233 N -0.22 7.06 -0.22 4.50 3.84 -1.26 -4.68 114.94 123.96 1w58 s ASN 233 Ca -0.04 1.27 -0.07 0.00 0.21 0.00 0.00 52.86 54.22 1w58 s ASN 233 Cb -0.03 -2.42 -0.04 0.00 -0.55 0.00 0.00 41.25 38.21 1w58 s ASN 233 CO 0.03 -0.03 0.07 0.54 -2.79 0.00 0.00 177.10 174.91 1w58 s VAL 234 N 0.34 4.56 -0.26 -5.21 0.11 -1.26 -5.05 120.40 113.62 1w58 s VAL 234 Ca 0.37 -0.10 -0.22 0.00 -2.93 0.00 0.00 61.98 59.10 1w58 s VAL 234 Cb -0.19 -3.09 -0.01 0.00 -1.53 0.00 0.00 36.38 31.56 1w58 s VAL 234 CO 0.19 0.39 0.70 -0.62 -3.33 0.00 0.00 175.10 172.44 1w58 s ASP 235 N 1.02 6.65 0.44 3.54 3.68 -1.26 -4.96 116.67 125.78 1w58 s ASP 235 Ca 0.04 0.78 0.22 0.00 2.13 0.00 0.00 52.55 55.72 1w58 s ASP 235 Cb -0.14 -2.37 1.19 0.00 -1.45 0.00 0.00 42.92 40.15 1w58 s ASP 235 CO 0.03 -0.44 1.82 0.15 0.13 0.00 0.00 175.17 176.86 1w58 h PHE 236 N 7.87 0.46 0.00 -5.34 3.04 -1.98 0.27 116.94 121.27 1w58 h PHE 236 Ca -0.25 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.67 1w58 h PHE 236 Cb 1.11 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.48 1w58 h PHE 236 CO 0.76 0.08 -0.18 0.00 -2.02 0.00 0.00 178.31 176.95 1w58 h ALA 237 N 1.58 1.44 0.19 2.41 0.00 -1.99 0.08 119.26 122.98 1w58 h ALA 237 Ca 0.52 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.96 1w58 h ALA 237 Cb 1.49 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.27 1w58 h ALA 237 CO -0.18 0.22 -1.41 -0.44 0.00 0.00 0.00 179.25 177.44 1w58 h ASP 238 N 0.00 0.63 -0.50 0.00 3.45 -0.89 -2.59 116.42 116.52 1w58 h ASP 238 Ca -0.00 -0.70 0.04 0.00 0.43 0.00 0.00 57.03 56.80 1w58 h ASP 238 Cb 0.38 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 38.90 1w58 h ASP 238 CO 0.02 1.55 0.26 0.58 -1.57 0.00 0.00 179.24 180.09 1w58 h VAL 239 N 0.11 0.98 -0.48 -1.35 2.07 -0.80 -1.82 116.25 114.96 1w58 h VAL 239 Ca -0.21 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 1w58 h VAL 239 Cb 2.08 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1w58 h VAL 239 CO 0.23 0.09 -0.12 0.50 0.02 0.00 0.00 177.57 178.30 1w58 h LYS 240 N 0.52 0.88 -0.53 1.57 3.64 -1.05 -1.74 116.57 119.87 1w58 h LYS 240 Ca 0.22 -0.31 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 1w58 h LYS 240 Cb 0.11 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1w58 h LYS 240 CO -0.14 0.95 -0.09 0.00 -2.27 0.00 0.00 179.45 177.90 1w58 h ALA 241 N 1.07 0.83 -0.02 5.00 0.00 -1.04 -0.07 119.26 125.03 1w58 h ALA 241 Ca 0.13 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1w58 h ALA 241 Cb 0.64 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1w58 h ALA 241 CO 0.04 0.66 -0.47 0.28 0.00 0.00 0.00 179.25 179.76 1w58 h VAL 242 N 0.87 1.44 0.00 0.00 2.07 -1.24 -3.32 116.25 116.08 1w58 h VAL 242 Ca 0.14 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.66 1w58 h VAL 242 Cb 0.64 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1w58 h VAL 242 CO 0.04 0.57 -0.17 0.24 0.02 0.00 0.00 177.57 178.27 1w58 h MET 243 N -0.17 0.00 -0.79 1.57 2.86 -1.34 -3.18 114.93 113.88 1w58 h MET 243 Ca -0.05 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.77 1w58 h MET 243 Cb 1.18 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.79 1w58 h MET 243 CO 0.09 0.17 0.54 -0.91 1.06 0.00 0.00 176.91 177.86 1w58 h ASN 244 N 0.00 0.28 -1.07 1.22 2.35 -1.10 -2.00 115.58 115.25 1w58 h ASN 244 Ca -0.00 0.02 -0.45 0.00 -0.55 0.00 0.00 56.30 55.32 1w58 h ASN 244 Cb 0.88 -0.03 -0.41 0.00 0.05 0.00 0.00 38.32 38.80 1w58 h ASN 244 CO 0.02 0.13 -0.97 0.59 -1.65 0.00 0.00 177.43 175.55 1w58 n ASN 245 N -4.44 3.06 0.13 5.81 4.13 -1.20 -4.78 115.26 117.97 1w58 n ASN 245 Ca 0.16 -3.10 0.13 0.00 1.68 0.00 0.00 54.58 53.44 1w58 n ASN 245 Cb 0.66 -0.47 0.43 0.00 -1.54 0.00 0.00 39.78 38.86 1w58 n ASN 245 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1w58 h GLY 246 N 2.69 0.00 0.00 7.41 0.00 -1.11 -3.42 103.07 108.65 1w58 h GLY 246 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1w58 h GLY 246 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1w58 n GLY 247 N 0.78 3.21 3.76 4.60 0.00 -1.09 -0.02 105.19 116.44 1w58 n GLY 247 Ca 0.04 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1w58 n GLY 247 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1w58 s LEU 248 N 0.00 4.37 0.14 0.99 0.20 -1.26 -0.47 118.68 122.65 1w58 s LEU 248 Ca 0.00 0.97 0.06 0.00 0.69 0.00 0.00 54.13 55.85 1w58 s LEU 248 Cb 0.00 -2.75 -0.04 0.00 -0.43 0.00 0.00 46.19 42.97 1w58 s LEU 248 CO 0.00 0.11 -0.13 0.00 -0.29 0.00 0.00 176.35 176.04 1w58 s ALA 249 N -0.05 1.54 0.07 5.97 0.00 0.74 -2.01 121.76 128.02 1w58 s ALA 249 Ca 0.27 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1w58 s ALA 249 Cb -0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1w58 s ALA 249 CO 0.13 0.05 -0.06 -1.64 0.00 0.00 0.00 175.76 174.25 1w58 s MET 250 N -3.05 0.68 0.49 0.00 -1.94 -1.07 -1.84 119.30 112.58 1w58 s MET 250 Ca 0.12 -1.16 0.04 0.00 -1.71 0.00 0.00 55.69 52.99 1w58 s MET 250 Cb -0.03 -0.08 -0.02 0.00 2.01 0.00 0.00 34.83 36.71 1w58 s MET 250 CO 0.03 -0.03 0.11 0.96 -0.01 0.00 0.00 175.02 176.07 1w58 s ILE 251 N -3.18 1.56 -0.16 2.53 -0.00 -1.26 -1.75 121.20 118.95 1w58 s ILE 251 Ca 0.05 -1.86 -0.12 0.00 -0.00 0.00 0.00 60.65 58.72 1w58 s ILE 251 Cb 0.02 -2.42 0.05 0.00 -0.00 0.00 0.00 42.46 40.11 1w58 s ILE 251 CO -0.05 0.00 0.40 -0.83 -0.00 0.00 0.00 174.94 174.46 1w58 s GLY 252 N -3.93 -0.30 -0.04 6.27 0.00 -0.51 -1.45 107.32 107.35 1w58 s GLY 252 Ca 0.21 1.26 0.03 0.00 0.00 0.00 0.00 44.72 46.22 1w58 s GLY 252 CO 0.12 1.22 -0.14 -0.42 0.00 0.00 0.00 173.10 173.88 1w58 s ILE 253 N 0.65 1.17 0.08 0.90 1.01 -1.26 -1.60 121.20 122.15 1w58 s ILE 253 Ca -0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 59.95 1w58 s ILE 253 Cb -0.05 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.40 1w58 s ILE 253 CO -0.04 0.35 0.24 -0.83 0.00 0.00 0.00 174.94 174.65 1w58 s GLY 254 N 0.19 0.00 -0.20 6.18 0.00 -0.93 -3.92 107.32 108.64 1w58 s GLY 254 Ca -0.05 -0.43 -0.27 0.00 0.00 0.00 0.00 44.72 43.96 1w58 s GLY 254 CO 0.02 -0.63 0.85 -1.83 0.00 0.00 0.00 173.10 171.51 1w58 s GLU 255 N -3.59 0.75 0.02 2.90 -1.05 -1.26 0.02 118.70 116.49 1w58 s GLU 255 Ca 0.03 0.55 0.08 0.00 -0.15 0.00 0.00 54.97 55.48 1w58 s GLU 255 Cb 0.03 0.36 -0.02 0.00 -0.44 0.00 0.00 34.13 34.06 1w58 s GLU 255 CO -0.10 -0.16 -0.23 0.45 0.95 0.00 0.00 175.26 176.18 1w58 s SER 256 N -0.30 2.68 -0.11 0.83 0.15 -0.94 -4.58 113.70 111.43 1w58 s SER 256 Ca -0.02 -0.49 0.18 0.00 0.70 0.00 0.00 55.95 56.32 1w58 s SER 256 Cb -0.03 -0.26 -0.26 0.00 -1.71 0.00 0.00 66.02 63.77 1w58 s SER 256 CO 0.01 0.23 0.23 -0.67 1.20 0.00 0.00 173.24 174.24 1w58 n ASP 257 N 2.10 0.58 -2.13 5.45 4.64 -1.26 -2.45 116.55 123.49 1w58 n ASP 257 Ca -0.16 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.25 1w58 n ASP 257 Cb 0.53 1.38 0.00 0.00 -1.04 0.00 0.00 41.12 41.99 1w58 n ASP 257 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1w58 n SER 258 N -2.43 0.00 0.00 1.67 7.64 -1.26 -4.80 113.62 114.43 1w58 n SER 258 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1w58 n SER 258 Cb 0.81 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 1w58 n SER 258 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1w58 n GLU 259 N 0.00 1.40 -0.86 1.43 -0.58 -1.26 -4.42 120.64 116.34 1w58 n GLU 259 Ca 0.00 -0.22 -0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1w58 n GLU 259 Cb 0.00 -0.66 0.31 0.00 -0.57 0.00 0.00 31.44 30.51 1w58 n GLU 259 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1w58 n LYS 260 N -0.26 3.60 0.00 3.49 4.76 -1.26 -4.86 118.16 123.64 1w58 n LYS 260 Ca 0.00 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.37 1w58 n LYS 260 Cb 0.05 -2.11 0.00 0.00 -1.84 0.00 0.00 35.03 31.12 1w58 n LYS 260 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1w58 n ARG 261 N -0.18 0.00 -0.32 1.97 1.74 -1.26 -1.81 116.66 116.79 1w58 n ARG 261 Ca 0.34 0.05 -0.07 0.00 -0.77 0.00 0.00 57.85 57.40 1w58 n ARG 261 Cb 1.22 -0.12 -0.05 0.00 -1.02 0.00 0.00 32.46 32.49 1w58 n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w58 n ALA 262 N -0.53 -0.40 -0.28 7.54 0.00 -1.26 0.29 120.51 125.87 1w58 n ALA 262 Ca 0.00 0.69 0.19 0.00 0.00 0.00 0.00 53.44 54.31 1w58 n ALA 262 Cb 0.00 -0.16 0.48 0.00 0.00 0.00 0.00 19.45 19.77 1w58 n ALA 262 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1w58 h LYS 263 N 0.00 0.45 0.18 0.00 1.63 -1.71 -1.97 116.57 115.14 1w58 h LYS 263 Ca 0.16 -0.03 -0.33 0.00 -0.85 0.00 0.00 60.65 59.60 1w58 h LYS 263 Cb 0.35 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1w58 h LYS 263 CO -0.74 0.30 -1.60 0.93 -3.45 0.00 0.00 179.45 174.89 1w58 h GLU 264 N 0.47 0.37 0.06 1.90 5.08 0.06 -3.17 114.58 119.35 1w58 h GLU 264 Ca 0.51 -0.64 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1w58 h GLU 264 Cb 1.19 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1w58 h GLU 264 CO -0.23 1.31 -0.03 0.00 -1.00 0.00 0.00 179.01 179.06 1w58 h ALA 265 N 0.08 -0.08 -0.91 3.43 0.00 -0.73 -0.75 119.26 120.29 1w58 h ALA 265 Ca -0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1w58 h ALA 265 Cb 2.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1w58 h ALA 265 CO 0.16 -0.52 0.58 0.28 0.00 0.00 0.00 179.25 179.75 1w58 h VAL 266 N -0.14 1.24 -0.32 0.00 2.07 -1.54 0.13 116.25 117.70 1w58 h VAL 266 Ca -0.01 -0.47 -0.14 0.00 0.82 0.00 0.00 66.70 66.89 1w58 h VAL 266 Cb 0.11 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1w58 h VAL 266 CO 0.01 0.24 -0.38 0.77 0.02 0.00 0.00 177.57 178.24 1w58 h SER 267 N 1.24 0.79 -0.14 0.57 4.64 -1.48 -0.00 113.55 119.17 1w58 h SER 267 Ca 0.33 -0.35 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1w58 h SER 267 Cb -0.11 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 1w58 h SER 267 CO -0.07 1.08 0.02 -0.03 -0.87 0.00 0.00 176.83 176.97 1w58 h MET 268 N 0.61 0.23 -0.39 4.77 -1.53 -0.66 -1.39 114.93 116.57 1w58 h MET 268 Ca 0.05 -0.06 0.03 0.00 -3.44 0.00 0.00 59.70 56.28 1w58 h MET 268 Cb 0.92 -0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.91 1w58 h MET 268 CO 0.08 0.41 0.21 0.00 0.14 0.00 0.00 176.91 177.75 1w58 h ALA 269 N 0.81 0.49 0.00 0.39 0.00 -0.62 -0.64 119.26 119.68 1w58 h ALA 269 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1w58 h ALA 269 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1w58 h ALA 269 CO 0.00 -0.15 -0.18 -0.07 0.00 0.00 0.00 179.25 178.85 1w58 h LEU 270 N 0.42 0.00 -2.47 0.00 3.38 -0.91 -2.42 115.31 113.31 1w58 h LEU 270 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1w58 h LEU 270 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1w58 h LEU 270 CO -0.10 0.18 0.00 0.59 0.09 0.00 0.00 178.44 179.20 1w58 n ASN 271 N -3.71 3.64 -4.74 -0.43 5.03 -0.53 -4.97 115.26 109.55 1w58 n ASN 271 Ca -0.02 -1.99 -0.42 0.00 0.87 0.00 0.00 54.58 53.02 1w58 n ASN 271 Cb 0.30 -0.36 -0.02 0.00 -1.02 0.00 0.00 39.78 38.68 1w58 n ASN 271 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1w58 n SER 272 N 1.54 3.67 0.31 6.41 2.88 -0.32 -4.86 113.62 123.24 1w58 n SER 272 Ca 0.22 1.15 0.19 0.00 -1.33 0.00 0.00 58.87 59.10 1w58 n SER 272 Cb 0.61 -1.57 0.94 0.00 -0.75 0.00 0.00 64.21 63.44 1w58 n SER 272 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1w58 h PRO 273 N 4.54 0.00 -0.05 -1.46 0.13 -1.90 -1.85 132.00 131.41 1w58 h PRO 273 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1w58 h PRO 273 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1w58 h PRO 273 CO 0.77 0.01 -0.20 -0.07 -0.23 0.00 0.00 178.00 178.29 1w58 h LEU 274 N 0.00 0.08 -5.28 1.56 4.07 -1.87 -3.12 115.31 110.74 1w58 h LEU 274 Ca -0.00 -0.02 -0.66 0.00 0.08 0.00 0.00 57.88 57.28 1w58 h LEU 274 Cb 0.26 -0.02 -0.13 0.00 1.08 0.00 0.00 40.66 41.85 1w58 h LEU 274 CO 0.00 0.28 1.88 -0.11 -1.08 0.00 0.00 178.44 179.41 1w58 n LEU 275 N -4.27 7.60 -3.39 1.67 0.00 -0.53 -4.32 117.00 113.76 1w58 n LEU 275 Ca -0.02 -4.61 -0.35 0.00 0.00 0.00 0.00 56.01 51.04 1w58 n LEU 275 Cb 0.28 -1.34 -0.02 0.00 0.00 0.00 0.00 43.42 42.34 1w58 n LEU 275 CO 0.37 1.97 2.74 -0.67 0.00 0.00 0.00 177.39 181.80 1w58 n ASP 276 N 1.60 5.65 -3.44 1.96 4.64 -1.18 -4.84 116.55 120.94 1w58 n ASP 276 Ca 0.59 -2.56 -0.11 0.00 -1.38 0.00 0.00 54.79 51.33 1w58 n ASP 276 Cb 0.34 -1.36 -0.02 0.00 -1.04 0.00 0.00 41.12 39.04 1w58 n ASP 276 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1w58 s VAL 277 N 3.20 0.00 -0.45 5.18 0.11 -1.26 -4.70 120.40 122.48 1w58 s VAL 277 Ca 0.54 -0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.30 1w58 s VAL 277 Cb 0.14 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1w58 s VAL 277 CO -0.03 0.00 1.17 -0.62 -3.33 0.00 0.00 175.10 172.29 1w58 s ASP 278 N -2.68 6.62 0.00 3.54 -1.08 -1.26 -4.91 116.67 116.89 1w58 s ASP 278 Ca 0.02 0.57 0.26 0.00 -0.52 0.00 0.00 52.55 52.88 1w58 s ASP 278 Cb -0.01 -2.55 0.78 0.00 -1.46 0.00 0.00 42.92 39.68 1w58 s ASP 278 CO -0.12 -1.25 1.59 2.30 0.52 0.00 0.00 175.17 178.21 1w58 n ILE 279 N 6.79 0.06 0.31 4.11 -5.35 -1.26 -4.37 119.36 119.65 1w58 n ILE 279 Ca 0.13 -0.35 0.19 0.00 -0.27 0.00 0.00 62.75 62.45 1w58 n ILE 279 Cb 0.49 0.73 1.00 0.00 -1.74 0.00 0.00 39.64 40.11 1w58 n ILE 279 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 1w58 h ASP 280 N 2.97 0.00 -0.59 7.28 -0.00 -1.91 -1.76 116.42 122.41 1w58 h ASP 280 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1w58 h ASP 280 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.96 1w58 h ASP 280 CO 0.00 0.02 0.00 0.61 -0.00 0.00 0.00 179.24 179.87 1w58 n GLY 281 N -0.81 2.98 3.80 7.15 0.00 -1.26 -3.42 105.19 113.63 1w58 n GLY 281 Ca -0.02 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 1w58 n GLY 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w58 s ALA 282 N -2.55 3.49 0.46 4.61 0.00 -0.66 -4.80 121.76 122.31 1w58 s ALA 282 Ca 0.54 0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.74 1w58 s ALA 282 Cb 0.40 -2.78 -0.00 0.00 0.00 0.00 0.00 23.12 20.73 1w58 s ALA 282 CO 0.18 0.35 0.41 0.99 0.00 0.00 0.00 175.76 177.69 1w58 s THR 283 N -1.26 2.39 0.11 0.00 2.01 -1.26 -0.76 115.64 116.88 1w58 s THR 283 Ca 0.36 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1w58 s THR 283 Cb -0.20 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1w58 s THR 283 CO 0.22 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1w58 n GLY 284 N -1.64 -0.81 3.63 4.40 0.00 -1.17 -4.23 105.19 105.38 1w58 n GLY 284 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 1w58 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w58 s ALA 285 N -3.94 -2.09 -0.06 4.61 0.00 -0.70 -3.02 121.76 116.56 1w58 s ALA 285 Ca 0.00 1.82 0.06 0.00 0.00 0.00 0.00 51.96 53.84 1w58 s ALA 285 Cb 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 1w58 s ALA 285 CO 0.00 -0.24 -0.24 -0.51 0.00 0.00 0.00 175.76 174.77 1w58 s LEU 286 N -0.93 2.05 -0.07 0.00 1.02 -0.10 -1.05 118.68 119.60 1w58 s LEU 286 Ca 0.07 -0.49 0.02 0.00 0.02 0.00 0.00 54.13 53.74 1w58 s LEU 286 Cb -0.01 -1.32 0.01 0.00 0.02 0.00 0.00 46.19 44.90 1w58 s LEU 286 CO -0.07 0.23 -0.12 -0.63 0.02 0.00 0.00 176.35 175.79 1w58 s ILE 287 N -0.12 1.13 -0.21 -0.59 1.01 0.43 -1.47 121.20 121.39 1w58 s ILE 287 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1w58 s ILE 287 Cb -0.14 -1.05 0.05 0.00 0.01 0.00 0.00 42.46 41.34 1w58 s ILE 287 CO 0.04 0.36 -0.06 -2.28 0.00 0.00 0.00 174.94 172.99 1w58 s HIS 288 N 0.81 2.18 -0.22 3.97 2.46 -0.60 -2.02 115.29 121.88 1w58 s HIS 288 Ca -0.12 -1.51 -0.09 0.00 0.47 0.00 0.00 55.06 53.81 1w58 s HIS 288 Cb -0.15 -1.51 -0.05 0.00 -0.13 0.00 0.00 32.58 30.74 1w58 s HIS 288 CO 0.02 -0.72 0.12 0.54 -2.47 0.00 0.00 174.74 172.23 1w58 s VAL 289 N 1.47 5.11 0.14 0.89 0.11 -1.06 -1.02 120.40 126.05 1w58 s VAL 289 Ca -0.03 0.09 0.10 0.00 -2.93 0.00 0.00 61.98 59.22 1w58 s VAL 289 Cb -0.17 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.28 1w58 s VAL 289 CO -0.07 0.39 -0.25 -0.04 -3.33 0.00 0.00 175.10 171.80 1w58 s MET 290 N 0.84 1.37 0.00 1.54 -1.94 0.17 -1.84 119.30 119.43 1w58 s MET 290 Ca 0.06 -1.35 -0.00 0.00 -1.71 0.00 0.00 55.69 52.69 1w58 s MET 290 Cb -0.13 -1.76 0.00 0.00 2.01 0.00 0.00 34.83 34.95 1w58 s MET 290 CO 0.02 0.41 0.01 0.41 -0.01 0.00 0.00 175.02 175.86 1w58 n GLY 291 N 0.77 0.76 3.55 -0.03 0.00 -0.88 0.13 105.19 109.49 1w58 n GLY 291 Ca -0.17 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 1w58 n GLY 291 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1w58 n PRO 292 N -0.00 -1.01 -0.32 1.61 -0.04 -1.24 0.14 135.00 134.14 1w58 n PRO 292 Ca 0.00 -1.99 0.35 0.00 -0.04 0.00 0.00 63.50 61.82 1w58 n PRO 292 Cb 0.00 -1.15 0.74 0.00 -0.04 0.00 0.00 33.50 33.05 1w58 n PRO 292 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1w58 h GLU 293 N 0.00 0.02 -0.72 0.54 4.57 -1.88 -0.73 114.58 116.38 1w58 h GLU 293 Ca -0.38 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1w58 h GLU 293 Cb 1.09 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1w58 h GLU 293 CO 0.29 0.01 0.00 -0.40 -1.18 0.00 0.00 179.01 177.73 1w58 n ASP 294 N -4.21 1.89 -4.77 1.04 5.75 -1.26 -4.91 116.55 110.08 1w58 n ASP 294 Ca 0.26 -2.17 -0.37 0.00 -0.01 0.00 0.00 54.79 52.49 1w58 n ASP 294 Cb 1.23 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.85 1w58 n ASP 294 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1w58 s LEU 295 N -0.77 4.14 0.05 -2.12 2.96 -0.28 -5.04 118.68 117.62 1w58 s LEU 295 Ca 0.13 2.23 0.04 0.00 -0.22 0.00 0.00 54.13 56.32 1w58 s LEU 295 Cb 0.09 -4.12 -0.02 0.00 0.50 0.00 0.00 46.19 42.64 1w58 s LEU 295 CO 0.05 -0.67 -0.12 0.28 -1.32 0.00 0.00 176.35 174.57 1w58 s THR 296 N -1.52 0.95 0.06 3.68 -1.32 -1.26 -4.99 115.64 111.23 1w58 s THR 296 Ca 0.59 -1.10 0.25 0.00 -1.21 0.00 0.00 61.69 60.21 1w58 s THR 296 Cb -0.27 -0.91 0.25 0.00 -1.51 0.00 0.00 72.50 70.05 1w58 s THR 296 CO 0.34 -0.17 1.74 -0.07 -2.21 0.00 0.00 174.62 174.25 1w58 h LEU 297 N 4.63 0.00 -0.11 9.08 4.07 -1.96 -0.78 115.31 130.25 1w58 h LEU 297 Ca -0.38 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.51 1w58 h LEU 297 Cb 1.19 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 1w58 h LEU 297 CO 0.42 0.00 -0.19 -0.33 -1.08 0.00 0.00 178.44 177.26 1w58 h GLU 298 N 0.00 0.32 -0.43 1.13 4.39 -1.99 -1.79 114.58 116.20 1w58 h GLU 298 Ca 0.00 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.38 1w58 h GLU 298 Cb 0.16 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1w58 h GLU 298 CO 0.00 0.78 -0.21 0.93 -1.16 0.00 0.00 179.01 179.35 1w58 h GLU 299 N -0.11 0.87 -0.31 2.33 5.08 -1.56 -2.16 114.58 118.71 1w58 h GLU 299 Ca 0.01 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1w58 h GLU 299 Cb 0.76 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1w58 h GLU 299 CO 0.04 0.99 0.19 0.00 -1.00 0.00 0.00 179.01 179.24 1w58 h ALA 300 N 1.00 0.39 -0.80 3.43 0.00 -1.49 -1.70 119.26 120.10 1w58 h ALA 300 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1w58 h ALA 300 Cb 0.75 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1w58 h ALA 300 CO 0.06 -0.13 0.46 -0.09 0.00 0.00 0.00 179.25 179.55 1w58 h ARG 301 N 0.40 1.09 -0.54 0.00 9.65 -1.16 0.37 114.38 124.19 1w58 h ARG 301 Ca 0.11 -0.11 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1w58 h ARG 301 Cb -0.02 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.31 1w58 h ARG 301 CO -0.02 0.78 0.17 1.49 2.80 0.00 0.00 179.97 185.19 1w58 h GLU 302 N 1.11 0.85 0.41 0.20 4.81 -1.05 -1.09 114.58 119.82 1w58 h GLU 302 Ca 0.28 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1w58 h GLU 302 Cb -0.01 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1w58 h GLU 302 CO -0.05 0.77 -0.34 0.28 -0.73 0.00 0.00 179.01 178.95 1w58 h VAL 303 N 0.75 0.30 -0.50 0.32 2.07 -0.45 -1.68 116.25 117.07 1w58 h VAL 303 Ca 0.18 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 1w58 h VAL 303 Cb 0.28 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 1w58 h VAL 303 CO -0.01 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.28 1w58 h VAL 304 N -0.75 0.74 -0.27 2.57 2.07 -0.73 -2.03 116.25 117.85 1w58 h VAL 304 Ca -0.04 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1w58 h VAL 304 Cb 0.65 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1w58 h VAL 304 CO -0.02 0.05 -0.21 0.00 0.02 0.00 0.00 177.57 177.41 1w58 h ALA 305 N 1.38 1.14 -0.44 1.67 0.00 -1.09 0.89 119.26 122.82 1w58 h ALA 305 Ca 0.25 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1w58 h ALA 305 Cb 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1w58 h ALA 305 CO -0.31 0.54 -0.08 1.15 0.00 0.00 0.00 179.25 180.54 1w58 h THR 306 N 0.44 1.25 0.10 0.00 2.02 -0.81 -2.47 112.91 113.44 1w58 h THR 306 Ca 0.07 -1.12 -0.17 0.00 0.77 0.00 0.00 66.41 65.96 1w58 h THR 306 Cb 0.62 1.01 0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1w58 h THR 306 CO 0.04 0.38 -0.74 0.58 0.37 0.00 0.00 175.52 176.16 1w58 h VAL 307 N 0.70 1.50 -0.69 3.16 2.07 -0.99 -3.32 116.25 118.68 1w58 h VAL 307 Ca 0.12 -2.42 0.20 0.00 0.82 0.00 0.00 66.70 65.42 1w58 h VAL 307 Cb 0.55 3.07 -0.03 0.00 -1.52 0.00 0.00 31.29 33.36 1w58 h VAL 307 CO 0.03 0.69 0.53 -1.28 0.02 0.00 0.00 177.57 177.56 1w58 h SER 308 N -0.33 0.00 1.56 0.57 0.87 0.94 -1.25 113.55 115.91 1w58 h SER 308 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1w58 h SER 308 Cb 1.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1w58 h SER 308 CO 0.14 0.00 -0.13 0.77 -0.53 0.00 0.00 176.83 177.08 1w58 h SER 309 N 0.00 0.00 0.98 6.23 4.64 -1.54 -3.28 113.55 120.59 1w58 h SER 309 Ca 0.33 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1w58 h SER 309 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1w58 h SER 309 CO -0.00 0.01 -0.78 0.03 -0.87 0.00 0.00 176.83 175.21 1w58 h ARG 310 N 0.00 0.00 0.00 4.77 2.47 -1.38 -3.48 114.38 116.77 1w58 h ARG 310 Ca 0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 1w58 h ARG 310 Cb 0.84 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 29.20 1w58 h ARG 310 CO 0.00 0.00 0.07 1.28 0.56 0.00 0.00 179.97 181.88 1w58 n LEU 311 N -2.44 0.00 -4.77 3.04 4.77 -1.21 -3.61 117.00 112.78 1w58 n LEU 311 Ca 0.02 -0.51 -0.38 0.00 -0.03 0.00 0.00 56.01 55.11 1w58 n LEU 311 Cb 0.50 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1w58 n LEU 311 CO 0.38 -0.70 0.86 -0.62 -1.33 0.00 0.00 177.39 175.99 1w58 s ASP 312 N -2.24 6.13 0.59 -1.43 2.15 0.06 -4.88 116.67 117.05 1w58 s ASP 312 Ca 0.20 2.40 0.36 0.00 0.43 0.00 0.00 52.55 55.94 1w58 s ASP 312 Cb -0.01 -2.61 1.98 0.00 -0.30 0.00 0.00 42.92 41.98 1w58 s ASP 312 CO 0.13 -0.95 2.11 1.55 -0.17 0.00 0.00 175.17 177.84 1w58 h PRO 313 N 2.13 0.00 -0.25 4.34 0.13 -1.89 -1.62 132.00 134.84 1w58 h PRO 313 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1w58 h PRO 313 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1w58 h PRO 313 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 1w58 n ASN 314 N -2.85 3.02 -4.74 1.44 4.13 -1.26 -5.04 115.26 109.96 1w58 n ASN 314 Ca -0.02 -2.36 -0.38 0.00 1.68 0.00 0.00 54.58 53.50 1w58 n ASN 314 Cb 0.14 -0.30 0.05 0.00 -1.54 0.00 0.00 39.78 38.13 1w58 n ASN 314 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1w58 s ALA 315 N -1.64 2.66 -0.18 5.41 0.00 -0.61 -4.86 121.76 122.54 1w58 s ALA 315 Ca 0.26 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.40 1w58 s ALA 315 Cb 0.18 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1w58 s ALA 315 CO 0.11 -1.48 0.22 0.99 0.00 0.00 0.00 175.76 175.61 1w58 s THR 316 N -1.33 5.35 -0.07 0.00 2.01 -1.26 -4.73 115.64 115.61 1w58 s THR 316 Ca 0.76 0.39 0.04 0.00 0.31 0.00 0.00 61.69 63.20 1w58 s THR 316 Cb -0.40 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1w58 s THR 316 CO 0.45 0.41 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.95 1w58 s ILE 317 N 0.45 2.36 -0.11 1.82 1.09 -1.26 -1.72 121.20 123.83 1w58 s ILE 317 Ca 0.13 -0.95 0.02 0.00 -1.10 0.00 0.00 60.65 58.75 1w58 s ILE 317 Cb -0.12 -1.90 -0.01 0.00 -1.06 0.00 0.00 42.46 39.37 1w58 s ILE 317 CO 0.01 0.56 -0.17 -0.63 -0.10 0.00 0.00 174.94 174.62 1w58 s ILE 318 N -0.10 2.69 0.14 2.92 -1.09 -0.21 -4.97 121.20 120.57 1w58 s ILE 318 Ca -0.04 -0.80 -0.08 0.00 -2.23 0.00 0.00 60.65 57.49 1w58 s ILE 318 Cb -0.14 -2.09 -0.01 0.00 -1.58 0.00 0.00 42.46 38.64 1w58 s ILE 318 CO 0.04 0.54 0.24 -1.66 -1.23 0.00 0.00 174.94 172.88 1w58 s TRP 319 N 0.20 0.34 0.34 3.97 1.48 -1.26 -0.43 118.94 123.58 1w58 s TRP 319 Ca -0.10 -0.73 -0.11 0.00 -1.06 0.00 0.00 56.10 54.10 1w58 s TRP 319 Cb -0.16 -0.08 0.03 0.00 -1.16 0.00 0.00 33.47 32.10 1w58 s TRP 319 CO 0.06 -0.65 0.63 0.20 -4.06 0.00 0.00 176.95 173.13 1w58 s GLY 320 N -2.94 0.73 -0.17 3.67 0.00 -0.86 -4.72 107.32 103.04 1w58 s GLY 320 Ca 0.14 -0.99 -0.07 0.00 0.00 0.00 0.00 44.72 43.80 1w58 s GLY 320 CO -0.03 -0.57 0.38 0.00 0.00 0.00 0.00 173.10 172.88 1w58 s ALA 321 N -2.95 -0.98 0.12 3.20 0.00 -1.26 -2.56 121.76 117.33 1w58 s ALA 321 Ca 0.21 1.38 0.07 0.00 0.00 0.00 0.00 51.96 53.62 1w58 s ALA 321 Cb -0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1w58 s ALA 321 CO 0.14 -0.56 -0.16 0.95 0.00 0.00 0.00 175.76 176.13 1w58 s THR 322 N 2.14 1.50 -0.20 0.00 -4.23 -0.77 -1.64 115.64 112.44 1w58 s THR 322 Ca -0.04 -1.69 -0.10 0.00 -1.18 0.00 0.00 61.69 58.69 1w58 s THR 322 Cb -0.11 -1.56 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 1w58 s THR 322 CO -0.12 -0.30 0.12 -0.63 -0.54 0.00 0.00 174.62 173.15 1w58 s ILE 323 N -1.83 5.29 -0.21 2.99 1.09 -1.26 -2.08 121.20 125.19 1w58 s ILE 323 Ca 0.09 0.15 0.01 0.00 -1.10 0.00 0.00 60.65 59.80 1w58 s ILE 323 Cb -0.07 -3.42 0.05 0.00 -1.06 0.00 0.00 42.46 37.96 1w58 s ILE 323 CO 0.04 0.43 -0.10 -0.62 -0.10 0.00 0.00 174.94 174.59 1w58 s ASP 324 N 0.46 3.58 0.19 3.58 2.15 0.12 -4.93 116.67 121.82 1w58 s ASP 324 Ca 0.07 -0.98 -0.19 0.00 0.43 0.00 0.00 52.55 51.88 1w58 s ASP 324 Cb -0.12 -1.28 0.14 0.00 -0.30 0.00 0.00 42.92 41.36 1w58 s ASP 324 CO -0.01 -0.15 1.60 -0.08 -0.17 0.00 0.00 175.17 176.36 1w58 h GLU 325 N 7.94 -0.14 0.00 4.34 4.81 -1.97 -1.17 114.58 128.39 1w58 h GLU 325 Ca -0.26 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1w58 h GLU 325 Cb 1.09 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1w58 h GLU 325 CO 0.47 -0.09 0.06 0.09 -0.73 0.00 0.00 179.01 178.81 1w58 n ASN 326 N -5.43 0.25 0.24 1.04 5.03 -1.26 -2.00 115.26 113.14 1w58 n ASN 326 Ca 0.04 0.58 0.15 0.00 0.87 0.00 0.00 54.58 56.22 1w58 n ASN 326 Cb 0.34 -0.60 0.44 0.00 -1.02 0.00 0.00 39.78 38.94 1w58 n ASN 326 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1w58 h LEU 327 N 0.00 0.00 0.00 3.41 4.07 -1.55 -3.47 115.31 117.78 1w58 h LEU 327 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1w58 h LEU 327 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1w58 h LEU 327 CO 0.00 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 176.74 1w58 n GLU 328 N -3.04 0.00 -2.75 1.13 1.02 -0.85 -2.25 120.64 113.90 1w58 n GLU 328 Ca 0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.12 1w58 n GLU 328 Cb 0.41 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.87 1w58 n GLU 328 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1w58 n ASN 329 N 0.58 1.71 -4.04 1.62 5.15 -1.26 -4.72 115.26 114.30 1w58 n ASN 329 Ca 0.00 -2.31 -0.11 0.00 -0.60 0.00 0.00 54.58 51.55 1w58 n ASN 329 Cb 0.00 -0.49 -0.11 0.00 -0.53 0.00 0.00 39.78 38.65 1w58 n ASN 329 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1w58 s THR 330 N -3.67 0.39 -0.16 -0.44 2.01 -0.95 -4.61 115.64 108.21 1w58 s THR 330 Ca 0.28 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1w58 s THR 330 Cb 0.37 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 1w58 s THR 330 CO -0.02 -0.47 -0.13 0.68 -0.69 0.00 0.00 174.62 174.00 1w58 s VAL 331 N -1.61 2.89 -0.06 3.82 -7.23 -1.02 -3.60 120.40 113.58 1w58 s VAL 331 Ca -0.10 -0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 59.37 1w58 s VAL 331 Cb -0.09 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1w58 s VAL 331 CO -0.01 0.50 0.01 -0.60 -0.31 0.00 0.00 175.10 174.69 1w58 s ARG 332 N 0.84 2.93 -0.11 4.82 3.52 0.34 -2.22 118.95 129.08 1w58 s ARG 332 Ca -0.04 -0.47 0.03 0.00 -0.13 0.00 0.00 55.73 55.12 1w58 s ARG 332 Cb -0.15 -2.76 0.01 0.00 -1.56 0.00 0.00 34.95 30.49 1w58 s ARG 332 CO 0.00 0.68 -0.21 0.08 -0.81 0.00 0.00 175.30 175.04 1w58 s VAL 333 N -0.95 1.86 -0.20 7.11 1.01 0.10 0.43 120.40 129.76 1w58 s VAL 333 Ca 0.15 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1w58 s VAL 333 Cb -0.11 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1w58 s VAL 333 CO 0.05 0.51 -0.07 -0.22 0.00 0.00 0.00 175.10 175.38 1w58 s LEU 334 N 0.64 2.84 -0.14 3.92 2.96 -0.19 -2.19 118.68 126.53 1w58 s LEU 334 Ca -0.12 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1w58 s LEU 334 Cb -0.16 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1w58 s LEU 334 CO 0.03 0.02 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.17 1w58 s LEU 335 N 1.21 2.53 -0.21 -0.68 1.02 -0.63 -1.55 118.68 120.36 1w58 s LEU 335 Ca 0.02 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 53.77 1w58 s LEU 335 Cb -0.14 -1.56 0.05 0.00 0.02 0.00 0.00 46.19 44.55 1w58 s LEU 335 CO -0.02 0.13 -0.10 -0.69 0.02 0.00 0.00 176.35 175.69 1w58 s VAL 336 N 0.54 1.72 -0.26 -1.59 1.01 -0.54 -1.43 120.40 119.85 1w58 s VAL 336 Ca -0.10 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 1w58 s VAL 336 Cb -0.16 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1w58 s VAL 336 CO 0.04 0.11 0.06 -0.63 0.00 0.00 0.00 175.10 174.68 1w58 s ILE 337 N 1.35 4.16 0.64 2.22 1.01 -0.72 -0.92 121.20 128.95 1w58 s ILE 337 Ca -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1w58 s ILE 337 Cb -0.17 -2.99 0.09 0.00 0.01 0.00 0.00 42.46 39.41 1w58 s ILE 337 CO -0.08 0.29 0.89 0.42 0.00 0.00 0.00 174.94 176.46 1w58 s THR 338 N 1.58 2.29 -1.89 2.92 -4.23 -1.17 -2.59 115.64 112.56 1w58 s THR 338 Ca 0.06 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1w58 s THR 338 Cb -0.15 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1w58 s THR 338 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1w58 n GLY 339 N -2.57 0.08 0.94 3.99 0.00 0.97 -4.13 105.19 104.46 1w58 n GLY 339 Ca 0.13 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.25 1w58 n GLY 339 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1w58 n VAL 340 N -3.65 0.51 -0.33 1.61 0.24 -0.85 -4.51 118.33 111.34 1w58 n VAL 340 Ca -0.24 -0.63 0.13 0.00 -2.04 0.00 0.00 64.34 61.56 1w58 n VAL 340 Cb 0.69 0.59 0.35 0.00 -1.47 0.00 0.00 33.84 34.00 1w58 n VAL 340 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 1w58 h GLN 341 N 3.39 0.70 0.00 7.34 -0.00 -1.91 0.18 115.11 124.81 1w58 h GLN 341 Ca 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.59 1w58 h GLN 341 Cb 0.76 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.48 28.08 1w58 h GLN 341 CO 0.00 0.47 -0.07 0.66 -0.00 0.00 0.00 178.83 179.89 1w58 h SER 342 N 0.72 0.00 0.04 0.06 4.64 -1.97 -1.96 113.55 115.09 1w58 h SER 342 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1w58 h SER 342 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1w58 h SER 342 CO -0.32 0.07 -0.04 0.54 -0.87 0.00 0.00 176.83 176.20 1w58 n ARG 343 N -3.44 1.41 -4.37 4.77 3.00 0.63 -4.85 116.66 113.80 1w58 n ARG 343 Ca -0.02 -0.73 -0.28 0.00 -0.01 0.00 0.00 57.85 56.81 1w58 n ARG 343 Cb 0.20 -1.48 -0.12 0.00 0.00 0.00 0.00 32.46 31.06 1w58 n ARG 343 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1w58 s ILE 344 N -2.10 2.55 -0.17 0.55 -1.09 -0.74 -0.13 121.20 120.07 1w58 s ILE 344 Ca 0.37 -1.78 0.01 0.00 -2.23 0.00 0.00 60.65 57.01 1w58 s ILE 344 Cb 0.21 -2.19 0.01 0.00 -1.58 0.00 0.00 42.46 38.91 1w58 s ILE 344 CO 0.37 -0.00 -0.17 -0.70 -1.23 0.00 0.00 174.94 173.21 1w58 s GLU 345 N -2.39 3.11 -0.56 2.79 2.12 0.78 -4.64 118.70 119.91 1w58 s GLU 345 Ca 0.19 -0.79 -0.20 0.00 0.36 0.00 0.00 54.97 54.53 1w58 s GLU 345 Cb -0.09 -2.61 0.07 0.00 0.26 0.00 0.00 34.13 31.76 1w58 s GLU 345 CO 0.09 -0.10 0.73 -0.06 -0.54 0.00 0.00 175.26 175.39 1w58 s PHE 346 N 1.07 2.95 0.41 5.30 0.40 -1.26 -1.80 117.98 125.05 1w58 s PHE 346 Ca -0.01 -0.62 0.08 0.00 -0.60 0.00 0.00 56.93 55.78 1w58 s PHE 346 Cb -0.14 -3.85 -0.03 0.00 0.51 0.00 0.00 43.02 39.51 1w58 s PHE 346 CO -0.06 -1.24 0.34 0.95 0.70 0.00 0.00 175.22 175.92 1w58 s THR 347 N 3.00 2.63 0.44 0.64 -4.23 -0.66 -5.00 115.64 112.46 1w58 s THR 347 Ca 0.17 -1.40 0.31 0.00 -1.18 0.00 0.00 61.69 59.58 1w58 s THR 347 Cb -0.20 -3.00 0.33 0.00 1.34 0.00 0.00 72.50 70.97 1w58 s THR 347 CO 0.11 -0.01 2.13 0.44 -0.54 0.00 0.00 174.62 176.75 1w58 h ASP 348 N 1.10 0.00 -0.62 3.99 3.45 -1.95 -2.73 116.42 119.66 1w58 h ASP 348 Ca -0.42 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.04 1w58 h ASP 348 Cb 1.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.03 1w58 h ASP 348 CO 0.59 0.08 0.00 0.35 -1.57 0.00 0.00 179.24 178.69 1w58 n THR 349 N -3.52 0.85 0.00 0.35 -2.24 -1.26 -3.21 114.28 105.25 1w58 n THR 349 Ca -0.02 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1w58 n THR 349 Cb 0.20 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1w58 n THR 349 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w58 n GLY 350 N 1.56 0.73 3.75 3.38 0.00 -1.03 -5.02 105.19 108.55 1w58 n GLY 350 Ca 0.23 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 1w58 n GLY 350 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w58 s LEU 351 N 0.00 4.35 -0.05 0.99 1.43 -1.26 -1.65 118.68 122.50 1w58 s LEU 351 Ca 0.00 1.03 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 1w58 s LEU 351 Cb 0.00 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 43.40 1w58 s LEU 351 CO 0.00 0.04 -0.06 -0.54 0.23 0.00 0.00 176.35 176.02 1w58 s LYS 352 N 0.20 1.04 0.04 1.70 1.02 -0.74 -4.97 119.74 118.03 1w58 s LYS 352 Ca 0.30 -0.18 -0.36 0.00 0.02 0.00 0.00 55.97 55.75 1w58 s LYS 352 Cb -0.17 -0.97 -0.15 0.00 -0.52 0.00 0.00 37.83 36.03 1w58 s LYS 352 CO 0.15 -0.05 1.59 0.54 -0.92 0.00 0.00 175.35 176.65 1w58 n ARG 353 N 3.97 1.74 -1.84 1.68 1.74 -1.26 -0.15 116.66 122.53 1w58 n ARG 353 Ca -0.25 0.63 -0.37 0.00 -0.77 0.00 0.00 57.85 57.10 1w58 n ARG 353 Cb 0.51 -2.37 0.05 0.00 -1.02 0.00 0.00 32.46 29.63 1w58 n ARG 353 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1w58 s LYS 354 N 1.69 2.81 -0.56 5.56 2.20 0.82 -4.74 119.74 127.52 1w58 s LYS 354 Ca 0.85 2.02 0.02 0.00 -0.36 0.00 0.00 55.97 58.50 1w58 s LYS 354 Cb -0.81 -1.96 0.14 0.00 -1.51 0.00 0.00 37.83 33.70 1w58 s LYS 354 CO 0.46 -1.39 0.32 0.21 -0.36 0.00 0.00 175.35 174.60 1w58 s LYS 355 N -3.26 2.18 0.43 4.03 2.20 -1.26 -4.95 119.74 119.11 1w58 s LYS 355 Ca 0.79 -2.60 -0.24 0.00 -0.36 0.00 0.00 55.97 53.56 1w58 s LYS 355 Cb -0.36 -3.46 -0.10 0.00 -1.51 0.00 0.00 37.83 32.41 1w58 s LYS 355 CO 0.39 -1.13 1.12 1.28 -0.36 0.00 0.00 175.35 176.65 1w58 n LEU 356 N 3.23 3.28 -4.71 5.43 4.32 -1.26 -4.95 117.00 122.34 1w58 n LEU 356 Ca 0.06 1.05 -0.42 0.00 -0.02 0.00 0.00 56.01 56.68 1w58 n LEU 356 Cb 0.34 -1.42 -0.03 0.00 -1.62 0.00 0.00 43.42 40.70 1w58 n LEU 356 CO 0.34 -1.16 0.85 -1.83 -1.22 0.00 0.00 177.39 174.36 1w58 s GLU 357 N -2.15 4.45 0.98 3.23 -1.05 -1.26 -5.04 118.70 117.86 1w58 s GLU 357 Ca 0.63 1.67 -0.11 0.00 -0.15 0.00 0.00 54.97 57.01 1w58 s GLU 357 Cb -0.53 -3.40 0.18 0.00 -0.44 0.00 0.00 34.13 29.93 1w58 s GLU 357 CO 0.56 -0.24 1.09 -0.51 0.95 0.00 0.00 175.26 177.12 1w58 s LEU 359 N 1.22 2.07 0.33 1.83 1.02 -1.26 -4.92 118.68 118.96 1w58 s LEU 359 Ca 0.57 1.75 0.01 0.00 0.02 0.00 0.00 54.13 56.48 1w58 s LEU 359 Cb -0.27 -4.02 0.58 0.00 0.02 0.00 0.00 46.19 42.50 1w58 s LEU 359 CO 0.28 -3.23 1.97 0.00 0.02 0.00 0.00 176.35 175.38 1w58 h THR 360 N -1.96 1.13 0.00 5.49 1.03 -2.07 -3.57 112.91 112.96 1w58 h THR 360 Ca -0.51 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 65.57 1w58 h THR 360 Cb 1.29 0.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 1w58 h THR 360 CO 0.49 0.17 0.00 0.61 -0.01 0.00 0.00 175.52 176.78