#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xhm h LEU 18 N 0.00 0.00 -0.07 0.00 3.38 -2.00 -3.13 115.31 113.48 2xhm h LEU 18 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2xhm h LEU 18 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2xhm h LEU 18 CO 0.00 0.48 0.04 0.58 0.09 0.00 0.00 178.44 179.63 2xhm h VAL 19 N 0.00 1.10 -0.34 1.22 2.07 -2.00 -0.22 116.25 118.08 2xhm h VAL 19 Ca -0.02 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 2xhm h VAL 19 Cb 1.38 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2xhm h VAL 19 CO 0.06 0.09 -0.15 0.11 0.02 0.00 0.00 177.57 177.70 2xhm h LYS 20 N 0.00 0.61 -0.35 1.57 6.56 -2.01 -2.89 116.57 120.06 2xhm h LYS 20 Ca 0.03 -0.20 -0.17 0.00 -1.06 0.00 0.00 60.65 59.25 2xhm h LYS 20 Cb 0.11 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 31.71 2xhm h LYS 20 CO -0.00 0.73 -0.43 1.49 -2.06 0.00 0.00 179.45 179.17 2xhm h GLU 21 N 0.55 0.89 -0.45 3.15 4.81 -1.46 -2.35 114.58 119.72 2xhm h GLU 21 Ca 0.09 -0.50 -0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2xhm h GLU 21 Cb 0.57 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2xhm h GLU 21 CO 0.04 1.14 0.09 1.49 -0.73 0.00 0.00 179.01 181.04 2xhm h GLU 22 N 0.72 0.69 -0.30 1.92 4.81 -0.96 0.37 114.58 121.82 2xhm h GLU 22 Ca 0.05 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2xhm h GLU 22 Cb 1.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2xhm h GLU 22 CO 0.10 0.64 0.06 0.82 -0.73 0.00 0.00 179.01 179.90 2xhm h ILE 23 N 0.67 1.23 -0.75 2.32 2.04 -1.45 -2.20 117.51 119.37 2xhm h ILE 23 Ca 0.15 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 2xhm h ILE 23 Cb 0.28 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2xhm h ILE 23 CO 0.00 0.26 0.28 -0.61 0.00 0.00 0.00 178.15 178.07 2xhm h GLN 24 N 0.33 1.13 -0.70 2.37 4.15 -0.90 -3.03 115.11 118.46 2xhm h GLN 24 Ca 0.09 -0.21 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 2xhm h GLN 24 Cb 0.32 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2xhm h GLN 24 CO 0.00 0.93 0.24 0.00 -1.93 0.00 0.00 178.83 178.07 2xhm h ALA 25 N 1.21 0.91 -0.59 3.38 0.00 -0.18 -0.68 119.26 123.31 2xhm h ALA 25 Ca 0.25 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2xhm h ALA 25 Cb 0.24 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2xhm h ALA 25 CO -0.02 0.56 0.31 -0.22 0.00 0.00 0.00 179.25 179.88 2xhm h LYS 26 N 1.01 0.56 -0.49 0.00 3.64 -1.29 0.75 116.57 120.75 2xhm h LYS 26 Ca 0.23 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.46 2xhm h LYS 26 Cb 0.26 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2xhm h LYS 26 CO -0.01 0.37 -0.13 0.93 -2.27 0.00 0.00 179.45 178.34 2xhm h GLU 27 N 0.58 0.93 -0.65 1.90 5.08 -1.39 -1.77 114.58 119.26 2xhm h GLU 27 Ca 0.26 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2xhm h GLU 27 Cb 0.17 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2xhm h GLU 27 CO -0.18 1.00 0.42 -0.92 -1.00 0.00 0.00 179.01 178.33 2xhm h TYR 28 N 0.83 0.80 -0.31 4.33 3.20 -0.51 -2.69 116.97 122.62 2xhm h TYR 28 Ca 0.13 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 2xhm h TYR 28 Cb 0.67 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2xhm h TYR 28 CO 0.04 0.48 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.91 2xhm h LEU 29 N 0.85 0.60 -0.45 2.82 3.38 -0.68 -1.68 115.31 120.15 2xhm h LEU 29 Ca 0.25 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.93 2xhm h LEU 29 Cb -0.05 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 2xhm h LEU 29 CO -0.07 0.81 0.14 -0.33 0.09 0.00 0.00 178.44 179.08 2xhm h GLU 30 N 0.37 0.29 -0.18 1.13 5.08 -1.23 0.39 114.58 120.43 2xhm h GLU 30 Ca 0.08 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2xhm h GLU 30 Cb 0.54 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2xhm h GLU 30 CO 0.03 0.19 -0.03 -0.97 -1.00 0.00 0.00 179.01 177.23 2xhm h ASN 31 N 0.30 0.34 -0.59 1.42 -1.24 -1.46 -3.05 115.58 111.29 2xhm h ASN 31 Ca 0.21 -0.35 -0.04 0.00 0.71 0.00 0.00 56.30 56.83 2xhm h ASN 31 Cb 0.23 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 2xhm h ASN 31 CO -0.23 0.61 0.20 0.25 -1.29 0.00 0.00 177.43 176.96 2xhm h LEU 32 N 0.07 0.85 -0.20 0.34 5.85 -1.04 -0.99 115.31 120.19 2xhm h LEU 32 Ca 0.05 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.62 2xhm h LEU 32 Cb 0.45 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2xhm h LEU 32 CO 0.01 0.82 -0.09 0.78 -0.34 0.00 0.00 178.44 179.62 2xhm h ASN 33 N 0.83 -0.31 -0.66 1.25 4.21 -0.98 0.12 115.58 120.04 2xhm h ASN 33 Ca 0.19 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.77 2xhm h ASN 33 Cb 0.27 0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.61 2xhm h ASN 33 CO -0.01 -0.12 0.36 0.11 -1.29 0.00 0.00 177.43 176.48 2xhm h LYS 34 N -0.07 0.94 -0.64 0.81 1.57 -1.39 -0.86 116.57 116.93 2xhm h LYS 34 Ca 0.11 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2xhm h LYS 34 Cb 0.23 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2xhm h LYS 34 CO -0.24 0.70 0.08 1.49 -0.57 0.00 0.00 179.45 180.90 2xhm h GLU 35 N 0.95 1.07 -0.58 3.15 4.81 -0.64 -2.48 114.58 120.86 2xhm h GLU 35 Ca 0.24 -0.30 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 2xhm h GLU 35 Cb 0.04 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2xhm h GLU 35 CO -0.04 1.00 -0.05 -0.07 -0.73 0.00 0.00 179.01 179.13 2xhm h LEU 36 N 0.98 1.05 -0.40 1.64 3.38 -0.02 -1.39 115.31 120.56 2xhm h LEU 36 Ca 0.19 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2xhm h LEU 36 Cb 0.47 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2xhm h LEU 36 CO 0.02 1.12 0.20 0.00 0.09 0.00 0.00 178.44 179.87 2xhm h ALA 37 N 0.97 0.49 -0.44 1.53 0.00 -1.12 0.01 119.26 120.70 2xhm h ALA 37 Ca 0.16 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2xhm h ALA 37 Cb 0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2xhm h ALA 37 CO 0.04 -0.16 -0.02 -0.22 0.00 0.00 0.00 179.25 178.89 2xhm h LYS 38 N 0.41 0.79 -0.30 0.00 1.63 -1.28 -0.37 116.57 117.46 2xhm h LYS 38 Ca 0.17 -0.26 -0.12 0.00 -0.85 0.00 0.00 60.65 59.59 2xhm h LYS 38 Cb 0.07 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2xhm h LYS 38 CO -0.11 0.87 -0.30 0.00 -3.45 0.00 0.00 179.45 176.45 2xhm h ARG 39 N 0.63 0.62 -0.24 1.90 3.08 -1.14 -3.08 114.38 116.14 2xhm h ARG 39 Ca 0.12 -0.27 -0.16 0.00 0.07 0.00 0.00 59.98 59.74 2xhm h ARG 39 Cb 0.52 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2xhm h ARG 39 CO 0.03 0.85 -0.50 1.15 -1.07 0.00 0.00 179.97 180.43 2xhm h THR 40 N 0.53 1.30 -0.66 2.04 2.02 -0.81 -2.76 112.91 114.58 2xhm h THR 40 Ca 0.06 -1.71 0.14 0.00 0.77 0.00 0.00 66.41 65.67 2xhm h THR 40 Cb 0.79 1.65 -0.12 0.00 -1.74 0.00 0.00 68.15 68.73 2xhm h THR 40 CO 0.06 0.54 -0.05 -1.13 0.37 0.00 0.00 175.52 175.32 2xhm h ASN 41 N 0.52 -0.40 -0.48 4.18 -1.24 -0.99 0.28 115.58 117.46 2xhm h ASN 41 Ca 0.02 0.18 -0.03 0.00 0.71 0.00 0.00 56.30 57.18 2xhm h ASN 41 Cb 1.05 0.33 -0.02 0.00 0.73 0.00 0.00 38.32 40.41 2xhm h ASN 41 CO 0.10 -0.16 0.17 0.58 -1.29 0.00 0.00 177.43 176.83 2xhm h VAL 42 N 0.07 1.22 -0.31 2.57 2.07 -1.44 -0.58 116.25 119.84 2xhm h VAL 42 Ca 0.34 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2xhm h VAL 42 Cb 0.55 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2xhm h VAL 42 CO -0.60 0.26 0.15 -0.08 0.02 0.00 0.00 177.57 177.31 2xhm h GLU 43 N 0.63 0.45 -0.94 1.57 4.81 -1.12 -2.71 114.58 117.28 2xhm h GLU 43 Ca 0.16 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2xhm h GLU 43 Cb 0.23 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 2xhm h GLU 43 CO -0.01 0.42 0.56 1.15 -0.73 0.00 0.00 179.01 180.40 2xhm h THR 44 N 0.37 1.26 -0.55 0.32 2.02 -0.23 -0.83 112.91 115.27 2xhm h THR 44 Ca 0.11 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.73 2xhm h THR 44 Cb 0.12 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 2xhm h THR 44 CO -0.01 0.27 0.36 -0.33 0.37 0.00 0.00 175.52 176.18 2xhm h GLU 45 N 1.30 0.70 -0.22 6.66 4.39 -0.98 0.13 114.58 126.56 2xhm h GLU 45 Ca 0.34 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.90 2xhm h GLU 45 Cb -0.05 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 2xhm h GLU 45 CO -0.06 0.47 -0.28 0.00 -1.16 0.00 0.00 179.01 177.98 2xhm h ALA 46 N 1.21 1.12 -0.12 3.43 0.00 -1.14 -1.62 119.26 122.14 2xhm h ALA 46 Ca 0.20 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2xhm h ALA 46 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2xhm h ALA 46 CO -0.05 0.55 -0.52 0.00 0.00 0.00 0.00 179.25 179.23 2xhm h ALA 47 N 1.34 0.89 -0.21 0.00 0.00 -0.73 -2.61 119.26 117.94 2xhm h ALA 47 Ca 0.05 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2xhm h ALA 47 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2xhm h ALA 47 CO 0.05 0.67 -0.05 2.35 0.00 0.00 0.00 179.25 182.28 2xhm h TRP 48 N 0.26 0.45 -0.89 0.00 2.91 -0.47 -1.69 115.95 116.53 2xhm h TRP 48 Ca 0.01 -0.10 -0.00 0.00 1.13 0.00 0.00 58.89 59.93 2xhm h TRP 48 Cb 1.00 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 29.50 2xhm h TRP 48 CO 0.03 0.64 0.54 0.00 -1.03 0.00 0.00 178.44 178.61 2xhm h ALA 49 N 0.75 1.28 -0.15 2.65 0.00 -1.26 -0.69 119.26 121.82 2xhm h ALA 49 Ca 0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2xhm h ALA 49 Cb 0.49 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2xhm h ALA 49 CO 0.02 0.62 -0.22 -0.92 0.00 0.00 0.00 179.25 178.75 2xhm h TYR 50 N 1.22 0.51 -0.21 0.00 3.20 -1.45 -2.40 116.97 117.84 2xhm h TYR 50 Ca 0.32 -0.17 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2xhm h TYR 50 Cb -0.06 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2xhm h TYR 50 CO 0.00 0.84 -0.15 0.78 -1.64 0.00 0.00 178.16 178.00 2xhm h GLY 51 N 0.04 0.37 1.79 1.82 0.00 -1.06 -2.23 103.07 103.80 2xhm h GLY 51 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2xhm h GLY 51 CO 0.05 0.23 -0.16 1.76 0.00 0.00 0.00 176.54 178.42 2xhm h SER 52 N 0.32 0.00 -0.80 0.19 0.02 -1.17 -1.22 113.55 110.89 2xhm h SER 52 Ca 0.06 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 2xhm h SER 52 Cb 0.45 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.83 2xhm h SER 52 CO 0.03 0.02 -0.39 0.21 -1.14 0.00 0.00 176.83 175.56 2xhm s ASN 53 N -4.75 -1.17 -0.32 3.07 2.47 -0.91 -4.75 114.94 108.57 2xhm s ASN 53 Ca 0.09 -1.19 -0.29 0.00 0.42 0.00 0.00 52.86 51.89 2xhm s ASN 53 Cb 0.11 1.53 -0.01 0.00 -1.45 0.00 0.00 41.25 41.43 2xhm s ASN 53 CO 0.64 -0.06 1.59 -0.63 -3.72 0.00 0.00 177.10 174.91 2xhm s ILE 54 N 1.15 3.73 0.08 -5.21 1.01 0.13 -4.40 121.20 117.68 2xhm s ILE 54 Ca 0.25 0.77 -0.03 0.00 0.00 0.00 0.00 60.65 61.63 2xhm s ILE 54 Cb 0.02 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2xhm s ILE 54 CO -0.07 -0.50 0.05 0.42 0.00 0.00 0.00 174.94 174.84 2xhm s THR 55 N 5.77 0.18 0.33 2.92 -4.23 -1.26 -4.58 115.64 114.77 2xhm s THR 55 Ca 0.70 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 2xhm s THR 55 Cb -0.20 -1.56 0.26 0.00 1.34 0.00 0.00 72.50 72.34 2xhm s THR 55 CO 0.31 -0.81 1.99 0.44 -0.54 0.00 0.00 174.62 176.02 2xhm h ASP 56 N 2.98 0.79 -0.22 3.99 5.19 -1.99 -0.56 116.42 126.60 2xhm h ASP 56 Ca -0.34 -0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.01 2xhm h ASP 56 Cb 1.17 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 2xhm h ASP 56 CO 0.62 0.59 0.03 -0.08 -3.12 0.00 0.00 179.24 177.27 2xhm h GLU 57 N 0.93 0.38 -0.08 3.56 4.81 -1.97 -2.03 114.58 120.17 2xhm h GLU 57 Ca 0.25 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 2xhm h GLU 57 Cb -0.08 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2xhm h GLU 57 CO -0.05 0.53 -0.50 -0.91 -0.73 0.00 0.00 179.01 177.35 2xhm h ASN 58 N 0.17 0.21 0.50 1.04 2.35 -1.83 -1.81 115.58 116.23 2xhm h ASN 58 Ca 0.07 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2xhm h ASN 58 Cb 0.34 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2xhm h ASN 58 CO 0.01 0.68 -0.24 -0.08 -1.65 0.00 0.00 177.43 176.14 2xhm h GLU 59 N 0.16 -0.65 -0.74 0.81 4.81 -1.07 -0.76 114.58 117.13 2xhm h GLU 59 Ca 0.01 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.39 2xhm h GLU 59 Cb 0.93 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.38 2xhm h GLU 59 CO 0.07 -0.41 0.36 -0.22 -0.73 0.00 0.00 179.01 178.09 2xhm h LYS 60 N -0.74 0.56 0.06 1.92 3.64 -1.30 -1.27 116.57 119.44 2xhm h LYS 60 Ca -0.07 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2xhm h LYS 60 Cb 0.55 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2xhm h LYS 60 CO 0.11 0.37 -0.03 0.87 -2.27 0.00 0.00 179.45 178.51 2xhm h LYS 61 N 0.58 -0.07 -0.32 1.90 1.57 -1.26 -2.07 116.57 116.89 2xhm h LYS 61 Ca 0.38 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.22 2xhm h LYS 61 Cb 0.46 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 2xhm h LYS 61 CO -0.31 0.11 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.43 2xhm h LYS 62 N -0.25 0.05 -0.01 3.15 3.64 -0.68 -2.52 116.57 119.94 2xhm h LYS 62 Ca -0.01 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 2xhm h LYS 62 Cb 0.22 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2xhm h LYS 62 CO 0.01 0.03 -0.54 -0.91 -2.27 0.00 0.00 179.45 175.78 2xhm h ASN 63 N 0.05 0.03 0.00 4.20 2.35 -1.24 -2.66 115.58 118.32 2xhm h ASN 63 Ca 0.15 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.68 2xhm h ASN 63 Cb 0.22 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2xhm h ASN 63 CO -0.29 0.56 -0.74 -0.33 -1.65 0.00 0.00 177.43 174.99 2xhm h GLU 64 N 0.02 0.65 -0.70 0.81 5.08 -1.13 -1.23 114.58 118.08 2xhm h GLU 64 Ca -0.00 -0.51 -0.07 0.00 -1.00 0.00 0.00 59.36 57.77 2xhm h GLU 64 Cb 0.96 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 2xhm h GLU 64 CO 0.07 1.13 0.15 0.82 -1.00 0.00 0.00 179.01 180.19 2xhm h ILE 65 N 0.45 1.26 -0.32 3.13 1.08 -1.43 -1.98 117.51 119.69 2xhm h ILE 65 Ca -0.04 -1.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.42 2xhm h ILE 65 Cb 1.34 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 2xhm h ILE 65 CO 0.14 0.38 0.13 0.28 -0.69 0.00 0.00 178.15 178.40 2xhm h SER 66 N 1.06 0.44 -0.94 1.72 0.02 -1.37 -0.75 113.55 113.74 2xhm h SER 66 Ca 0.22 -0.16 0.08 0.00 -0.84 0.00 0.00 61.79 61.08 2xhm h SER 66 Cb 0.40 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 2xhm h SER 66 CO 0.01 0.48 0.61 0.00 -1.14 0.00 0.00 176.83 176.78 2xhm h ALA 67 N 0.98 1.50 -0.18 3.77 0.00 -1.13 0.76 119.26 124.97 2xhm h ALA 67 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2xhm h ALA 67 Cb 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2xhm h ALA 67 CO -0.01 0.34 0.01 1.49 0.00 0.00 0.00 179.25 181.07 2xhm h GLU 68 N 1.04 0.32 -0.43 0.00 4.81 -0.96 -2.26 114.58 117.09 2xhm h GLU 68 Ca 0.42 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.47 2xhm h GLU 68 Cb 0.25 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2xhm h GLU 68 CO -0.17 0.52 -0.07 1.25 -0.73 0.00 0.00 179.01 179.81 2xhm h LEU 69 N 0.07 0.73 -0.50 1.64 5.85 -0.77 -2.59 115.31 119.76 2xhm h LEU 69 Ca 0.05 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2xhm h LEU 69 Cb 0.37 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2xhm h LEU 69 CO 0.01 0.85 0.26 0.00 -0.34 0.00 0.00 178.44 179.22 2xhm h ALA 70 N 1.23 0.63 -0.78 1.25 0.00 -0.80 -0.75 119.26 120.04 2xhm h ALA 70 Ca 0.13 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2xhm h ALA 70 Cb 0.53 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2xhm h ALA 70 CO 0.03 -0.07 0.48 -0.22 0.00 0.00 0.00 179.25 179.47 2xhm h LYS 71 N 0.52 0.89 -0.57 0.00 3.64 -1.14 -1.63 116.57 118.28 2xhm h LYS 71 Ca 0.21 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 2xhm h LYS 71 Cb 0.10 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2xhm h LYS 71 CO -0.14 0.59 -0.03 0.35 -2.27 0.00 0.00 179.45 177.96 2xhm h PHE 72 N 0.92 1.09 -0.84 1.91 3.57 -1.08 -2.92 116.94 119.59 2xhm h PHE 72 Ca 0.33 -0.19 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2xhm h PHE 72 Cb 0.08 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 2xhm h PHE 72 CO -0.04 0.98 0.54 0.52 -2.23 0.00 0.00 178.31 178.09 2xhm h MET 73 N 0.91 1.04 -0.62 1.11 2.86 -0.54 -1.32 114.93 118.37 2xhm h MET 73 Ca 0.16 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.80 2xhm h MET 73 Cb 0.57 -0.23 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 2xhm h MET 73 CO 0.03 0.69 0.32 0.87 1.06 0.00 0.00 176.91 179.88 2xhm h LYS 74 N 1.07 0.57 -0.55 1.72 1.57 -1.15 0.09 116.57 119.89 2xhm h LYS 74 Ca 0.33 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 2xhm h LYS 74 Cb -0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2xhm h LYS 74 CO -0.10 0.37 0.07 1.49 -0.57 0.00 0.00 179.45 180.71 2xhm h GLU 75 N 0.58 0.90 0.23 3.15 4.81 -1.26 -2.03 114.58 120.95 2xhm h GLU 75 Ca 0.29 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2xhm h GLU 75 Cb 0.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2xhm h GLU 75 CO -0.21 0.85 -0.11 0.28 -0.73 0.00 0.00 179.01 179.09 2xhm h VAL 76 N 0.85 0.84 -0.98 0.32 2.07 -0.47 0.52 116.25 119.39 2xhm h VAL 76 Ca 0.17 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.39 2xhm h VAL 76 Cb 0.40 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 2xhm h VAL 76 CO 0.01 0.09 0.63 0.00 0.02 0.00 0.00 177.57 178.32 2xhm h ALA 77 N 0.22 1.47 -0.51 1.67 0.00 -0.98 -0.88 119.26 120.25 2xhm h ALA 77 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2xhm h ALA 77 Cb 0.37 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2xhm h ALA 77 CO 0.05 0.36 0.20 1.03 0.00 0.00 0.00 179.25 180.88 2xhm h SER 78 N 1.09 0.71 0.52 0.00 0.87 -1.21 -3.03 113.55 112.50 2xhm h SER 78 Ca 0.44 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 2xhm h SER 78 Cb 0.27 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2xhm h SER 78 CO -0.19 0.69 -0.13 0.44 -0.53 0.00 0.00 176.83 177.11 2xhm h ASP 79 N 0.68 0.00 0.23 6.23 3.45 0.43 -2.82 116.42 124.62 2xhm h ASP 79 Ca 0.17 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.58 2xhm h ASP 79 Cb 0.21 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 2xhm h ASP 79 CO -0.01 0.13 -0.22 0.71 -1.57 0.00 0.00 179.24 178.27 2xhm h THR 80 N 0.00 1.15 0.00 0.35 1.35 -1.15 -2.60 112.91 112.01 2xhm h THR 80 Ca -0.00 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2xhm h THR 80 Cb 0.42 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2xhm h THR 80 CO 0.02 0.22 0.00 0.71 -0.25 0.00 0.00 175.52 176.22 2xhm h THR 81 N 0.00 0.00 0.00 6.82 1.35 -1.61 -1.43 112.91 118.04 2xhm h THR 81 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 2xhm h THR 81 Cb 0.40 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2xhm h THR 81 CO 0.03 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.41 2xhm h LYS 82 N 0.00 0.00 -5.61 4.72 1.57 -1.63 -3.44 116.57 112.18 2xhm h LYS 82 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2xhm h LYS 82 Cb 0.30 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.49 2xhm h LYS 82 CO 0.00 0.00 -0.55 -0.06 -0.57 0.00 0.00 179.45 178.27 2xhm s PHE 83 N -3.24 3.36 -0.35 -1.35 0.08 -0.54 -5.00 117.98 110.93 2xhm s PHE 83 Ca 0.07 0.28 -0.07 0.00 0.12 0.00 0.00 56.93 57.34 2xhm s PHE 83 Cb 0.08 -1.95 -0.23 0.00 -0.57 0.00 0.00 43.02 40.35 2xhm s PHE 83 CO 0.61 0.46 3.48 1.04 -0.10 0.00 0.00 175.22 180.71 2xhm n GLN 84 N 2.57 2.37 -0.02 0.44 1.13 -1.26 -4.72 117.38 117.90 2xhm n GLN 84 Ca -0.18 -1.27 0.00 0.00 -1.94 0.00 0.00 57.00 53.61 2xhm n GLN 84 Cb 0.54 -2.17 0.30 0.00 0.11 0.00 0.00 30.24 29.01 2xhm n GLN 84 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 2xhm h TRP 85 N 3.43 0.58 0.00 1.08 5.08 -1.95 -0.56 115.95 123.61 2xhm h TRP 85 Ca 0.34 -0.05 0.00 0.00 1.08 0.00 0.00 58.89 60.26 2xhm h TRP 85 Cb 1.25 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 2xhm h TRP 85 CO 1.81 0.53 0.00 0.00 -1.28 0.00 0.00 178.44 179.50 2xhm h ARG 86 N 0.55 0.00 -0.00 0.12 3.08 -1.95 -1.93 114.38 114.25 2xhm h ARG 86 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2xhm h ARG 86 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2xhm h ARG 86 CO 0.00 0.00 -0.28 0.43 -1.07 0.00 0.00 179.97 179.05 2xhm n SER 87 N -2.92 0.74 -4.78 7.04 7.64 -0.22 -4.98 113.62 116.14 2xhm n SER 87 Ca -0.02 -0.61 -0.33 0.00 1.01 0.00 0.00 58.87 58.93 2xhm n SER 87 Cb 0.11 0.09 0.05 0.00 -1.01 0.00 0.00 64.21 63.45 2xhm n SER 87 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2xhm s TYR 88 N -2.64 2.68 0.07 1.43 2.02 -0.73 -4.98 117.35 115.21 2xhm s TYR 88 Ca 0.21 1.54 -0.08 0.00 -0.37 0.00 0.00 57.07 58.38 2xhm s TYR 88 Cb 0.19 -3.12 -0.27 0.00 -0.40 0.00 0.00 41.96 38.36 2xhm s TYR 88 CO 0.56 -1.61 1.14 1.96 -1.57 0.00 0.00 175.55 176.02 2xhm h GLN 89 N -0.12 0.38 -6.39 -0.62 1.08 -1.94 -3.45 115.11 104.05 2xhm h GLN 89 Ca -0.46 -0.59 -0.57 0.00 -1.45 0.00 0.00 58.65 55.58 2xhm h GLN 89 Cb 1.24 0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 28.82 2xhm h GLN 89 CO 0.54 1.26 0.88 0.45 -0.95 0.00 0.00 178.83 181.01 2xhm s SER 90 N -7.25 6.83 0.39 1.46 0.15 -1.26 -4.90 113.70 109.12 2xhm s SER 90 Ca -0.06 0.97 0.06 0.00 0.70 0.00 0.00 55.95 57.62 2xhm s SER 90 Cb 0.07 -2.54 0.80 0.00 -1.71 0.00 0.00 66.02 62.63 2xhm s SER 90 CO 0.90 -0.98 2.02 -0.33 1.20 0.00 0.00 173.24 176.05 2xhm h GLU 91 N 8.50 0.63 -0.29 5.44 4.39 -1.99 -1.90 114.58 129.35 2xhm h GLU 91 Ca -0.22 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 2xhm h GLU 91 Cb 1.07 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2xhm h GLU 91 CO 1.05 0.42 0.04 0.22 -1.16 0.00 0.00 179.01 179.58 2xhm h ASP 92 N 0.65 0.46 -0.32 1.42 3.58 -1.94 -0.68 116.42 119.59 2xhm h ASP 92 Ca 0.21 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2xhm h ASP 92 Cb 0.05 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2xhm h ASP 92 CO -0.05 0.62 0.08 -0.07 -2.88 0.00 0.00 179.24 176.93 2xhm h LEU 93 N 0.30 0.49 -0.93 2.28 3.38 -1.90 -2.23 115.31 116.70 2xhm h LEU 93 Ca 0.09 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2xhm h LEU 93 Cb 0.35 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 2xhm h LEU 93 CO 0.01 0.59 0.61 0.11 0.09 0.00 0.00 178.44 179.85 2xhm h LYS 94 N 0.36 1.15 -0.59 1.13 1.57 -1.28 -1.04 116.57 117.88 2xhm h LYS 94 Ca 0.10 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2xhm h LYS 94 Cb 0.29 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2xhm h LYS 94 CO 0.00 0.76 0.23 -0.09 -0.57 0.00 0.00 179.45 179.78 2xhm h ARG 95 N 1.19 0.88 -0.29 3.15 2.43 -0.96 -0.39 114.38 120.39 2xhm h ARG 95 Ca 0.37 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 2xhm h ARG 95 Cb -0.02 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2xhm h ARG 95 CO -0.11 0.76 0.09 1.96 -1.51 0.00 0.00 179.97 181.16 2xhm h GLN 96 N 0.81 0.45 -0.69 0.20 4.20 -1.03 -2.21 115.11 116.84 2xhm h GLN 96 Ca 0.19 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2xhm h GLN 96 Cb 0.22 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2xhm h GLN 96 CO -0.01 0.50 0.39 0.74 -0.67 0.00 0.00 178.83 179.78 2xhm h PHE 97 N 0.30 0.93 -0.50 2.96 0.04 -1.05 -2.27 116.94 117.36 2xhm h PHE 97 Ca 0.09 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.87 2xhm h PHE 97 Cb 0.25 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 2xhm h PHE 97 CO 0.01 0.65 0.31 -0.22 -0.60 0.00 0.00 178.31 178.45 2xhm h LYS 98 N 0.94 0.60 -0.72 1.51 3.64 -0.97 -2.24 116.57 119.33 2xhm h LYS 98 Ca 0.24 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 2xhm h LYS 98 Cb 0.01 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2xhm h LYS 98 CO -0.04 0.39 0.48 0.00 -2.27 0.00 0.00 179.45 178.01 2xhm h ALA 99 N 1.21 1.63 0.00 5.00 0.00 -1.12 -2.06 119.26 123.92 2xhm h ALA 99 Ca 0.20 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2xhm h ALA 99 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2xhm h ALA 99 CO -0.08 0.28 -0.34 -0.07 0.00 0.00 0.00 179.25 179.04 2xhm h LEU 100 N 0.82 0.00 -0.99 0.00 3.38 -0.85 -3.01 115.31 114.67 2xhm h LEU 100 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2xhm h LEU 100 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2xhm h LEU 100 CO -0.09 0.34 0.00 0.71 0.09 0.00 0.00 178.44 179.49 2xhm h THR 101 N 0.00 0.00 -3.18 0.22 1.35 -0.87 -3.39 112.91 107.05 2xhm h THR 101 Ca -0.00 -0.66 -0.61 0.00 -0.55 0.00 0.00 66.41 64.59 2xhm h THR 101 Cb 0.79 1.65 -0.12 0.00 -1.73 0.00 0.00 68.15 68.75 2xhm h THR 101 CO 0.04 0.00 0.60 -0.54 -0.25 0.00 0.00 175.52 175.37 2xhm s LYS 102 N -3.52 3.34 0.03 4.72 1.02 -1.14 -4.90 119.74 119.29 2xhm s LYS 102 Ca 0.03 -0.24 0.14 0.00 0.02 0.00 0.00 55.97 55.92 2xhm s LYS 102 Cb 0.08 -4.06 -0.17 0.00 -0.52 0.00 0.00 37.83 33.16 2xhm s LYS 102 CO 0.58 -1.51 0.82 -0.07 -0.92 0.00 0.00 175.35 174.25 2xhm h LEU 103 N 11.07 0.00 0.00 3.17 3.38 -1.87 -3.50 115.31 127.55 2xhm h LEU 103 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2xhm h LEU 103 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2xhm h LEU 103 CO 1.10 0.80 0.00 0.61 0.09 0.00 0.00 178.44 181.04 2xhm n GLY 104 N 1.45 3.15 0.28 0.83 0.00 -1.26 -2.53 105.19 107.12 2xhm n GLY 104 Ca -0.12 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.74 2xhm n GLY 104 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2xhm h TYR 105 N 0.00 0.00 0.00 1.61 0.05 -1.96 -2.07 116.97 114.60 2xhm h TYR 105 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2xhm h TYR 105 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2xhm h TYR 105 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 2xhm n ALA 106 N -2.55 1.18 0.23 3.88 0.00 -1.05 -1.19 120.51 121.02 2xhm n ALA 106 Ca -0.01 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.55 2xhm n ALA 106 Cb 0.17 -1.03 0.30 0.00 0.00 0.00 0.00 19.45 18.90 2xhm n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xhm h ALA 107 N 2.07 0.98 -2.92 0.00 0.00 -1.54 -3.42 119.26 114.43 2xhm h ALA 107 Ca 0.00 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.33 2xhm h ALA 107 Cb 0.02 -0.01 0.12 0.00 0.00 0.00 0.00 17.79 17.93 2xhm h ALA 107 CO 0.00 0.05 0.53 -0.51 0.00 0.00 0.00 179.25 179.32 2xhm s LEU 108 N -6.24 3.76 0.81 0.00 1.43 -0.33 -4.99 118.68 113.11 2xhm s LEU 108 Ca 0.05 2.54 -0.14 0.00 -1.03 0.00 0.00 54.13 55.55 2xhm s LEU 108 Cb 0.06 -4.45 0.04 0.00 0.03 0.00 0.00 46.19 41.87 2xhm s LEU 108 CO 0.64 -1.56 0.85 -2.65 0.23 0.00 0.00 176.35 173.86 2xhm n PRO 109 N -1.31 0.15 -0.17 1.29 -0.02 -1.26 -4.61 135.00 129.06 2xhm n PRO 109 Ca 0.12 0.11 -0.02 0.00 -2.02 0.00 0.00 63.50 61.69 2xhm n PRO 109 Cb 0.48 -2.14 0.05 0.00 -0.02 0.00 0.00 33.50 31.86 2xhm n PRO 109 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2xhm h GLU 110 N -0.84 0.02 -0.52 -0.52 4.81 -1.96 -0.36 114.58 115.21 2xhm h GLU 110 Ca -0.46 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.68 2xhm h GLU 110 Cb 1.31 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 2xhm h GLU 110 CO 0.43 0.01 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.24 2xhm h ASP 111 N 0.02 0.90 -0.41 1.04 3.32 -2.00 -2.14 116.42 117.14 2xhm h ASP 111 Ca 0.26 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2xhm h ASP 111 Cb 0.40 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2xhm h ASP 111 CO -0.53 0.98 -0.29 0.44 -1.72 0.00 0.00 179.24 178.11 2xhm h ASP 112 N 0.84 0.99 -0.63 6.45 3.32 -1.66 -1.47 116.42 124.26 2xhm h ASP 112 Ca 0.15 -0.41 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 2xhm h ASP 112 Cb 0.55 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 2xhm h ASP 112 CO 0.03 1.20 0.16 0.22 -1.72 0.00 0.00 179.24 179.13 2xhm h TYR 113 N 0.80 1.06 -0.58 4.55 3.20 -1.02 -0.84 116.97 124.14 2xhm h TYR 113 Ca 0.09 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 2xhm h TYR 113 Cb 0.88 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2xhm h TYR 113 CO 0.06 0.88 0.09 0.00 -1.64 0.00 0.00 178.16 177.55 2xhm h ALA 114 N 1.05 0.77 -0.56 1.82 0.00 -1.28 -1.38 119.26 119.69 2xhm h ALA 114 Ca 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2xhm h ALA 114 Cb 0.35 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2xhm h ALA 114 CO 0.00 0.53 0.29 1.49 0.00 0.00 0.00 179.25 181.56 2xhm h GLU 115 N 0.86 0.80 -0.32 0.00 4.81 -1.16 -1.67 114.58 117.90 2xhm h GLU 115 Ca 0.18 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2xhm h GLU 115 Cb 0.42 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2xhm h GLU 115 CO 0.01 0.63 0.20 1.25 -0.73 0.00 0.00 179.01 180.38 2xhm h LEU 116 N 0.76 0.38 -0.93 1.64 5.85 -0.87 -0.98 115.31 121.16 2xhm h LEU 116 Ca 0.20 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2xhm h LEU 116 Cb 0.08 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 2xhm h LEU 116 CO -0.03 0.31 0.60 -0.07 -0.34 0.00 0.00 178.44 178.91 2xhm h LEU 117 N 0.42 0.98 -0.85 2.25 3.38 -1.13 0.05 115.31 120.41 2xhm h LEU 117 Ca 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2xhm h LEU 117 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2xhm h LEU 117 CO -0.02 0.65 -0.06 0.44 0.09 0.00 0.00 178.44 179.54 2xhm h ASP 118 N 1.13 0.78 -0.07 -0.43 3.45 -0.87 -1.68 116.42 118.72 2xhm h ASP 118 Ca 0.39 -0.21 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 2xhm h ASP 118 Cb 0.08 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 38.64 2xhm h ASP 118 CO -0.15 0.88 -0.03 0.74 -1.57 0.00 0.00 179.24 179.11 2xhm h THR 119 N 0.73 1.32 -0.54 0.35 2.02 -0.61 -2.03 112.91 114.16 2xhm h THR 119 Ca 0.13 -1.04 0.08 0.00 0.77 0.00 0.00 66.41 66.36 2xhm h THR 119 Cb 0.53 1.87 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 2xhm h THR 119 CO 0.03 0.29 0.19 -0.07 0.37 0.00 0.00 175.52 176.32 2xhm h LEU 120 N -0.23 0.18 -0.86 2.58 3.38 -0.91 -1.26 115.31 118.20 2xhm h LEU 120 Ca 0.02 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2xhm h LEU 120 Cb 0.47 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2xhm h LEU 120 CO 0.01 0.12 -0.53 0.77 0.09 0.00 0.00 178.44 178.91 2xhm h SER 121 N 0.36 0.13 -0.97 -0.43 4.64 -1.33 -1.19 113.55 114.76 2xhm h SER 121 Ca 0.27 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.53 2xhm h SER 121 Cb 0.31 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.31 2xhm h SER 121 CO -0.28 0.63 0.64 0.00 -0.87 0.00 0.00 176.83 176.96 2xhm h ALA 122 N 1.37 1.32 0.02 5.18 0.00 -0.62 -0.27 119.26 126.26 2xhm h ALA 122 Ca -0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2xhm h ALA 122 Cb 0.96 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2xhm h ALA 122 CO 0.07 0.63 -0.58 0.52 0.00 0.00 0.00 179.25 179.89 2xhm h MET 123 N 1.30 0.35 -0.66 0.00 2.07 -0.97 -2.55 114.93 114.48 2xhm h MET 123 Ca 0.36 -0.41 -0.06 0.00 -2.07 0.00 0.00 59.70 57.52 2xhm h MET 123 Cb -0.13 0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.69 2xhm h MET 123 CO -0.08 1.10 0.16 1.49 1.07 0.00 0.00 176.91 180.65 2xhm h GLU 124 N -0.21 1.06 -0.38 1.72 4.81 -1.18 -2.27 114.58 118.12 2xhm h GLU 124 Ca -0.08 -0.25 -0.16 0.00 -0.13 0.00 0.00 59.36 58.74 2xhm h GLU 124 Cb 1.32 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2xhm h GLU 124 CO 0.11 0.94 -0.38 0.66 -0.73 0.00 0.00 179.01 179.62 2xhm h SER 125 N 0.98 1.00 -0.18 1.04 4.64 -1.15 -1.74 113.55 118.15 2xhm h SER 125 Ca 0.21 -0.46 0.05 0.00 -0.47 0.00 0.00 61.79 61.11 2xhm h SER 125 Cb 0.36 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.12 2xhm h SER 125 CO 0.00 1.26 -0.16 -1.13 -0.87 0.00 0.00 176.83 175.93 2xhm h ASN 126 N 0.75 -0.49 -0.45 4.97 -0.73 -1.38 -0.80 115.58 117.45 2xhm h ASN 126 Ca 0.06 0.10 0.04 0.00 1.87 0.00 0.00 56.30 58.37 2xhm h ASN 126 Cb 0.97 0.24 -0.04 0.00 0.27 0.00 0.00 38.32 39.76 2xhm h ASN 126 CO 0.09 -0.20 0.20 0.15 -0.37 0.00 0.00 177.43 177.31 2xhm h PHE 127 N -0.17 0.37 0.00 0.67 3.57 -1.28 -2.63 116.94 117.47 2xhm h PHE 127 Ca 0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2xhm h PHE 127 Cb 0.34 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2xhm h PHE 127 CO -0.29 0.17 -0.34 0.00 -2.23 0.00 0.00 178.31 175.62 2xhm h ALA 128 N 1.26 1.25 -0.13 2.41 0.00 -0.99 -3.07 119.26 120.00 2xhm h ALA 128 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2xhm h ALA 128 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2xhm h ALA 128 CO -0.16 0.42 0.00 1.63 0.00 0.00 0.00 179.25 181.14 2xhm n LYS 129 N -3.86 1.99 -1.69 0.00 5.02 -0.34 -4.74 118.16 114.55 2xhm n LYS 129 Ca -0.01 -1.47 -0.42 0.00 -2.02 0.00 0.00 58.31 54.38 2xhm n LYS 129 Cb 0.41 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2xhm n LYS 129 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2xhm n VAL 130 N 0.73 0.36 -4.34 -0.18 0.31 -1.06 -4.99 118.33 109.15 2xhm n VAL 130 Ca 0.17 -0.06 -0.19 0.00 -0.01 0.00 0.00 64.34 64.25 2xhm n VAL 130 Cb 0.45 -2.11 -0.15 0.00 -0.91 0.00 0.00 33.84 31.12 2xhm n VAL 130 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2xhm s LYS 131 N 2.69 0.74 0.32 5.55 -0.14 -1.26 -4.27 119.74 123.36 2xhm s LYS 131 Ca 0.82 -0.30 0.09 0.00 -1.36 0.00 0.00 55.97 55.22 2xhm s LYS 131 Cb -0.49 -0.71 -0.06 0.00 -1.68 0.00 0.00 37.83 34.89 2xhm s LYS 131 CO 0.37 0.16 -0.09 0.14 -0.76 0.00 0.00 175.35 175.18 2xhm s VAL 132 N -0.10 2.04 0.18 3.17 -7.23 -0.00 -4.90 120.40 113.57 2xhm s VAL 132 Ca 0.02 -2.19 -0.20 0.00 -1.81 0.00 0.00 61.98 57.80 2xhm s VAL 132 Cb -0.05 -2.57 -0.08 0.00 0.56 0.00 0.00 36.38 34.25 2xhm s VAL 132 CO -0.00 -0.24 0.69 0.00 -0.31 0.00 0.00 175.10 175.23 2xhm n ASP 134 N 1.04 2.74 -0.20 0.00 2.03 0.84 -4.89 116.55 118.11 2xhm n ASP 134 Ca -0.05 1.14 0.07 0.00 0.52 0.00 0.00 54.79 56.48 2xhm n ASP 134 Cb 0.51 -1.43 0.35 0.00 -0.72 0.00 0.00 41.12 39.83 2xhm n ASP 134 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2xhm h TYR 135 N 4.15 0.79 0.00 -0.67 3.20 -1.95 -2.74 116.97 119.74 2xhm h TYR 135 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2xhm h TYR 135 Cb 1.28 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2xhm h TYR 135 CO 0.56 0.40 -1.01 1.63 -1.64 0.00 0.00 178.16 178.11 2xhm n LYS 136 N -4.49 0.14 -3.42 1.82 5.02 -1.26 -4.78 118.16 111.19 2xhm n LYS 136 Ca 0.12 -0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.15 2xhm n LYS 136 Cb 0.26 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 2xhm n LYS 136 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2xhm s ASP 137 N -3.39 2.24 0.00 4.39 -1.08 -1.03 -4.98 116.67 112.81 2xhm s ASP 137 Ca 0.06 -1.96 0.03 0.00 -0.52 0.00 0.00 52.55 50.16 2xhm s ASP 137 Cb 0.16 -0.01 0.13 0.00 -1.46 0.00 0.00 42.92 41.73 2xhm s ASP 137 CO 0.82 -0.29 0.93 -1.54 0.52 0.00 0.00 175.17 175.62 2xhm n SER 138 N 4.11 0.00 0.06 -0.34 3.41 -1.24 -1.23 113.62 118.39 2xhm n SER 138 Ca 0.12 0.30 -0.14 0.00 -0.26 0.00 0.00 58.87 58.89 2xhm n SER 138 Cb 0.40 -0.33 -0.14 0.00 -0.26 0.00 0.00 64.21 63.88 2xhm n SER 138 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2xhm h THR 139 N 0.00 1.24 -2.74 6.66 2.02 -1.94 -3.44 112.91 114.72 2xhm h THR 139 Ca 0.00 -2.90 -0.66 0.00 0.77 0.00 0.00 66.41 63.61 2xhm h THR 139 Cb 0.03 2.76 -0.17 0.00 -1.74 0.00 0.00 68.15 69.03 2xhm h THR 139 CO 0.00 0.82 0.40 -0.75 0.37 0.00 0.00 175.52 176.36 2xhm s LYS 140 N -2.63 3.13 -0.35 6.66 2.20 -0.36 -4.91 119.74 123.48 2xhm s LYS 140 Ca -0.07 -1.12 0.06 0.00 -0.36 0.00 0.00 55.97 54.48 2xhm s LYS 140 Cb 0.07 -4.31 0.45 0.00 -1.51 0.00 0.00 37.83 32.54 2xhm s LYS 140 CO 0.85 -1.70 1.23 0.00 -0.36 0.00 0.00 175.35 175.37 2xhm n ASP 142 N -0.67 1.76 -4.63 0.00 5.75 -1.22 -4.38 116.55 113.14 2xhm n ASP 142 Ca 0.44 -3.53 -0.42 0.00 -0.01 0.00 0.00 54.79 51.27 2xhm n ASP 142 Cb 0.88 -0.48 -0.04 0.00 -1.03 0.00 0.00 41.12 40.45 2xhm n ASP 142 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2xhm s LEU 143 N -2.83 4.06 0.31 -2.12 1.02 -1.05 -4.89 118.68 113.17 2xhm s LEU 143 Ca 0.35 0.93 0.03 0.00 0.02 0.00 0.00 54.13 55.46 2xhm s LEU 143 Cb 0.34 -3.25 -0.03 0.00 0.02 0.00 0.00 46.19 43.27 2xhm s LEU 143 CO -0.05 -0.64 0.47 0.00 0.02 0.00 0.00 176.35 176.15 2xhm s ALA 144 N 3.08 3.81 0.16 4.21 0.00 -1.26 -0.82 121.76 130.94 2xhm s ALA 144 Ca 0.37 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 2xhm s ALA 144 Cb -0.14 -1.94 0.08 0.00 0.00 0.00 0.00 23.12 21.11 2xhm s ALA 144 CO 0.11 0.07 1.65 1.25 0.00 0.00 0.00 175.76 178.83 2xhm h LEU 145 N 0.91 -0.59 -8.17 0.00 5.85 -1.95 -0.27 115.31 111.10 2xhm h LEU 145 Ca -0.50 0.14 -0.68 0.00 0.84 0.00 0.00 57.88 57.67 2xhm h LEU 145 Cb 1.23 0.32 -0.30 0.00 0.37 0.00 0.00 40.66 42.27 2xhm h LEU 145 CO 0.61 -0.21 -0.68 -0.62 -0.34 0.00 0.00 178.44 177.20 2xhm s ASP 146 N -5.13 4.85 -0.01 1.25 -1.08 -1.26 -1.18 116.67 114.10 2xhm s ASP 146 Ca -0.14 -1.02 0.18 0.00 -0.52 0.00 0.00 52.55 51.05 2xhm s ASP 146 Cb 0.14 -1.76 -0.21 0.00 -1.46 0.00 0.00 42.92 39.62 2xhm s ASP 146 CO 0.70 -0.22 0.66 -0.81 0.52 0.00 0.00 175.17 176.01 2xhm n PRO 147 N 4.72 1.03 0.23 4.34 -0.04 -1.26 -4.99 135.00 139.03 2xhm n PRO 147 Ca -0.14 -0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.12 2xhm n PRO 147 Cb 0.46 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 2xhm n PRO 147 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2xhm h GLU 148 N 0.00 -0.63 -0.43 0.54 3.07 -1.49 -0.17 114.58 115.47 2xhm h GLU 148 Ca 0.00 0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.82 2xhm h GLU 148 Cb 0.52 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 2xhm h GLU 148 CO 0.00 -0.42 -0.05 0.82 -1.40 0.00 0.00 179.01 177.96 2xhm h ILE 149 N -0.65 1.27 -0.03 3.13 2.04 -0.94 -2.83 117.51 119.49 2xhm h ILE 149 Ca -0.03 -1.12 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 2xhm h ILE 149 Cb 0.56 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2xhm h ILE 149 CO 0.01 0.38 -0.23 -0.33 0.00 0.00 0.00 178.15 177.98 2xhm h GLU 150 N 0.62 0.05 -0.42 2.37 5.08 -1.05 -1.07 114.58 120.16 2xhm h GLU 150 Ca 0.12 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2xhm h GLU 150 Cb 0.56 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2xhm h GLU 150 CO 0.03 0.28 0.22 1.49 -1.00 0.00 0.00 179.01 180.03 2xhm h GLU 151 N 0.05 0.43 0.20 2.33 4.57 -0.78 -1.44 114.58 119.95 2xhm h GLU 151 Ca 0.01 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2xhm h GLU 151 Cb 0.44 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2xhm h GLU 151 CO 0.03 0.28 -0.10 0.28 -1.18 0.00 0.00 179.01 178.33 2xhm h VAL 152 N 0.44 0.87 -0.97 0.32 2.07 -1.25 -2.47 116.25 115.27 2xhm h VAL 152 Ca 0.18 -0.80 0.19 0.00 0.82 0.00 0.00 66.70 67.08 2xhm h VAL 152 Cb 0.07 1.32 -0.11 0.00 -1.52 0.00 0.00 31.29 31.05 2xhm h VAL 152 CO -0.11 0.17 0.56 0.40 0.02 0.00 0.00 177.57 178.61 2xhm h ILE 153 N -0.70 0.67 0.00 4.57 1.08 -1.20 0.30 117.51 122.23 2xhm h ILE 153 Ca -0.03 -0.24 -0.11 0.00 -0.39 0.00 0.00 64.86 64.10 2xhm h ILE 153 Cb 0.49 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 2xhm h ILE 153 CO 0.05 0.13 -0.51 0.77 -0.69 0.00 0.00 178.15 177.89 2xhm h SER 154 N 0.69 0.00 0.00 1.72 4.64 -1.28 -3.38 113.55 115.95 2xhm h SER 154 Ca 0.56 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.77 2xhm h SER 154 Cb 0.90 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 2xhm h SER 154 CO -0.40 0.51 -1.41 0.29 -0.87 0.00 0.00 176.83 174.95 2xhm n LYS 155 N -3.27 1.50 -2.08 4.77 5.02 -0.54 -4.78 118.16 118.78 2xhm n LYS 155 Ca 0.02 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 2xhm n LYS 155 Cb 0.72 -1.15 -0.02 0.00 -0.02 0.00 0.00 35.03 34.56 2xhm n LYS 155 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2xhm s SER 156 N -4.26 6.73 -0.19 4.39 0.15 0.95 -4.92 113.70 116.54 2xhm s SER 156 Ca -0.07 2.69 0.15 0.00 0.70 0.00 0.00 55.95 59.42 2xhm s SER 156 Cb 0.02 -2.64 0.42 0.00 -1.71 0.00 0.00 66.02 62.11 2xhm s SER 156 CO 0.20 -0.59 1.30 0.54 1.20 0.00 0.00 173.24 175.90 2xhm n ARG 157 N 1.22 1.89 -3.17 5.44 5.12 -1.26 -4.92 116.66 120.97 2xhm n ARG 157 Ca 0.02 -2.92 -0.44 0.00 -1.93 0.00 0.00 57.85 52.58 2xhm n ARG 157 Cb 0.41 -1.68 -0.06 0.00 -1.16 0.00 0.00 32.46 29.97 2xhm n ARG 157 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2xhm s ASP 158 N -2.62 6.20 0.49 0.55 -1.08 -1.26 -4.96 116.67 113.99 2xhm s ASP 158 Ca 0.39 -1.14 0.14 0.00 -0.52 0.00 0.00 52.55 51.42 2xhm s ASP 158 Cb 0.34 -2.28 1.17 0.00 -1.46 0.00 0.00 42.92 40.69 2xhm s ASP 158 CO 0.02 -0.93 2.13 1.12 0.52 0.00 0.00 175.17 178.02 2xhm h HIS 159 N 9.02 0.12 0.07 -5.34 2.07 -1.98 -0.82 115.15 118.30 2xhm h HIS 159 Ca -0.28 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 56.99 2xhm h HIS 159 Cb 1.09 -0.04 0.01 0.00 2.57 0.00 0.00 27.41 31.04 2xhm h HIS 159 CO 0.76 0.08 -1.10 0.93 -3.07 0.00 0.00 177.93 175.54 2xhm h GLU 160 N 0.13 0.36 -0.08 5.12 5.08 -1.99 -1.61 114.58 121.60 2xhm h GLU 160 Ca 0.04 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2xhm h GLU 160 Cb -0.01 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2xhm h GLU 160 CO -0.01 1.17 0.05 1.49 -1.00 0.00 0.00 179.01 180.71 2xhm h GLU 161 N 0.16 0.10 -0.57 2.33 4.81 -1.82 -1.13 114.58 118.46 2xhm h GLU 161 Ca -0.11 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.19 2xhm h GLU 161 Cb 1.78 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 31.07 2xhm h GLU 161 CO 0.19 0.10 0.22 -0.07 -0.73 0.00 0.00 179.01 178.72 2xhm h LEU 162 N 0.07 0.24 -0.93 1.64 3.38 -1.16 -2.19 115.31 116.36 2xhm h LEU 162 Ca 0.03 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2xhm h LEU 162 Cb 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2xhm h LEU 162 CO -0.01 0.16 0.07 0.00 0.09 0.00 0.00 178.44 178.76 2xhm h ALA 163 N 1.38 1.12 0.22 1.53 0.00 -1.15 -1.58 119.26 120.77 2xhm h ALA 163 Ca 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2xhm h ALA 163 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2xhm h ALA 163 CO -0.27 0.57 -0.15 -0.92 0.00 0.00 0.00 179.25 178.48 2xhm h TYR 164 N 0.81 -0.40 -0.30 0.00 3.20 -0.63 -1.67 116.97 117.98 2xhm h TYR 164 Ca 0.17 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 2xhm h TYR 164 Cb 0.38 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2xhm h TYR 164 CO 0.02 -0.24 -0.11 1.88 -1.64 0.00 0.00 178.16 178.07 2xhm h TYR 165 N -0.37 0.54 0.17 -3.82 0.05 -1.29 -1.35 116.97 110.90 2xhm h TYR 165 Ca -0.01 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2xhm h TYR 165 Cb 0.32 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.92 2xhm h TYR 165 CO -0.10 0.61 -0.08 2.35 -1.05 0.00 0.00 178.16 179.88 2xhm h TRP 166 N 0.47 -0.21 -0.32 4.88 7.01 -1.15 -1.40 115.95 125.22 2xhm h TRP 166 Ca 0.09 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 2xhm h TRP 166 Cb 0.48 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.60 2xhm h TRP 166 CO 0.02 -0.10 0.17 -0.09 -2.79 0.00 0.00 178.44 175.65 2xhm h ARG 167 N -0.27 0.46 -0.35 2.65 2.43 -1.05 -1.42 114.38 116.84 2xhm h ARG 167 Ca -0.02 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2xhm h ARG 167 Cb 0.21 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2xhm h ARG 167 CO 0.04 0.40 0.21 0.93 -1.51 0.00 0.00 179.97 180.03 2xhm h GLU 168 N 0.40 0.47 -0.02 0.20 4.39 -1.21 -1.05 114.58 117.76 2xhm h GLU 168 Ca 0.11 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2xhm h GLU 168 Cb 0.08 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2xhm h GLU 168 CO -0.02 0.36 0.00 0.35 -1.16 0.00 0.00 179.01 178.55 2xhm h PHE 169 N 0.45 0.05 -0.55 4.33 3.57 -1.12 -2.56 116.94 121.11 2xhm h PHE 169 Ca 0.12 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 2xhm h PHE 169 Cb 0.01 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2xhm h PHE 169 CO -0.04 0.32 0.12 1.88 -2.23 0.00 0.00 178.31 178.35 2xhm h TYR 170 N -0.24 0.89 -0.84 0.41 -1.99 -1.22 0.33 116.97 114.30 2xhm h TYR 170 Ca 0.01 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.66 2xhm h TYR 170 Cb 0.30 -0.26 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 2xhm h TYR 170 CO 0.02 0.75 0.56 -0.44 -0.00 0.00 0.00 178.16 179.05 2xhm h ASP 171 N 0.82 0.95 0.26 3.88 3.32 -1.17 -0.09 116.42 124.40 2xhm h ASP 171 Ca 0.18 -0.02 -0.34 0.00 0.02 0.00 0.00 57.03 56.86 2xhm h ASP 171 Cb 0.32 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2xhm h ASP 171 CO 0.00 0.68 -1.76 0.11 -1.72 0.00 0.00 179.24 176.56 2xhm h LYS 172 N 1.12 0.30 0.00 3.56 1.57 -0.99 -3.05 116.57 119.09 2xhm h LYS 172 Ca 0.31 -0.52 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 2xhm h LYS 172 Cb -0.11 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2xhm h LYS 172 CO -0.08 1.19 -1.15 0.00 -0.57 0.00 0.00 179.45 178.85 2xhm h ALA 173 N 0.26 0.62 -1.50 3.86 0.00 -0.44 -3.38 119.26 118.67 2xhm h ALA 173 Ca -0.34 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2xhm h ALA 173 Cb 2.06 0.15 0.00 0.00 0.00 0.00 0.00 17.79 20.00 2xhm h ALA 173 CO 0.15 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.37 2xhm n GLY 174 N 1.30 -0.38 0.38 0.00 0.00 -0.08 -3.53 105.19 102.88 2xhm n GLY 174 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2xhm n GLY 174 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2xhm h THR 175 N 0.00 0.78 -0.01 2.61 2.02 -0.62 -2.40 112.91 115.29 2xhm h THR 175 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2xhm h THR 175 Cb 0.00 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2xhm h THR 175 CO 0.00 0.11 0.03 0.00 0.37 0.00 0.00 175.52 176.03 2xhm h ALA 176 N 1.61 1.31 -0.23 6.16 0.00 -1.72 -2.72 119.26 123.67 2xhm h ALA 176 Ca 0.46 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 2xhm h ALA 176 Cb 0.85 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2xhm h ALA 176 CO -0.21 -0.03 -0.04 1.33 0.00 0.00 0.00 179.25 180.29 2xhm n VAL 177 N -3.47 2.30 0.02 0.00 0.24 -0.90 -4.77 118.33 111.74 2xhm n VAL 177 Ca -0.03 -2.27 -0.10 0.00 -2.04 0.00 0.00 64.34 59.91 2xhm n VAL 177 Cb 0.11 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.17 2xhm n VAL 177 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2xhm h ARG 178 N 1.20 -0.23 -0.76 7.34 2.43 -1.61 0.06 114.38 122.82 2xhm h ARG 178 Ca 0.07 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2xhm h ARG 178 Cb 1.42 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.99 2xhm h ARG 178 CO 0.23 -0.16 0.32 0.66 -1.51 0.00 0.00 179.97 179.51 2xhm h SER 179 N -0.24 1.01 -0.58 -3.80 4.64 -1.86 -0.36 113.55 112.35 2xhm h SER 179 Ca 0.09 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 2xhm h SER 179 Cb 0.36 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2xhm h SER 179 CO -0.23 0.89 0.19 1.56 -0.87 0.00 0.00 176.83 178.36 2xhm h GLN 180 N 1.09 0.90 -0.79 4.77 7.50 -1.86 -2.23 115.11 124.49 2xhm h GLN 180 Ca 0.26 -0.19 -0.03 0.00 0.50 0.00 0.00 58.65 59.18 2xhm h GLN 180 Cb 0.17 -0.13 -0.04 0.00 0.05 0.00 0.00 27.48 27.54 2xhm h GLN 180 CO -0.03 0.80 0.37 0.35 -1.50 0.00 0.00 178.83 178.83 2xhm h PHE 181 N 0.82 1.14 -0.46 2.96 3.57 -0.39 -0.28 116.94 124.29 2xhm h PHE 181 Ca 0.19 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.65 2xhm h PHE 181 Cb 0.28 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2xhm h PHE 181 CO 0.02 0.83 0.26 0.93 -2.23 0.00 0.00 178.31 178.12 2xhm h GLU 182 N 1.11 0.50 -0.34 1.11 5.08 -0.88 -0.98 114.58 120.18 2xhm h GLU 182 Ca 0.27 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 2xhm h GLU 182 Cb 0.13 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2xhm h GLU 182 CO -0.03 0.33 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.02 2xhm h ARG 183 N 0.52 0.65 -0.39 2.33 9.65 -1.11 -2.40 114.38 123.63 2xhm h ARG 183 Ca 0.19 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 2xhm h ARG 183 Cb 0.04 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 2xhm h ARG 183 CO -0.10 0.81 0.21 -0.92 2.80 0.00 0.00 179.97 182.77 2xhm h TYR 184 N 0.58 0.54 -0.53 2.20 3.20 -0.67 -1.51 116.97 120.78 2xhm h TYR 184 Ca 0.09 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.99 2xhm h TYR 184 Cb 0.67 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 2xhm h TYR 184 CO 0.03 0.43 0.28 0.28 -1.64 0.00 0.00 178.16 177.53 2xhm h VAL 185 N 0.50 0.96 -0.30 1.81 2.07 -1.06 0.20 116.25 120.43 2xhm h VAL 185 Ca 0.14 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2xhm h VAL 185 Cb 0.07 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2xhm h VAL 185 CO -0.02 0.10 0.15 -0.33 0.02 0.00 0.00 177.57 177.48 2xhm h GLU 186 N 0.53 0.30 0.01 1.57 5.08 -1.20 -1.46 114.58 119.42 2xhm h GLU 186 Ca 0.23 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.37 2xhm h GLU 186 Cb 0.14 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2xhm h GLU 186 CO -0.16 0.20 -0.91 -0.07 -1.00 0.00 0.00 179.01 177.07 2xhm h LEU 187 N 0.31 0.31 -0.60 1.33 3.38 -1.04 -1.44 115.31 117.56 2xhm h LEU 187 Ca 0.13 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2xhm h LEU 187 Cb 0.05 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2xhm h LEU 187 CO -0.09 1.07 0.38 -1.13 0.09 0.00 0.00 178.44 178.75 2xhm h ASN 188 N 0.13 0.63 -0.29 -0.43 -0.73 -0.52 -0.57 115.58 113.79 2xhm h ASN 188 Ca -0.05 -0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.07 2xhm h ASN 188 Cb 1.54 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.98 2xhm h ASN 188 CO 0.14 0.44 0.02 0.74 -0.37 0.00 0.00 177.43 178.41 2xhm h THR 189 N 0.75 1.25 -0.73 -3.57 2.02 -1.14 -1.54 112.91 109.95 2xhm h THR 189 Ca 0.24 -0.87 0.04 0.00 0.77 0.00 0.00 66.41 66.59 2xhm h THR 189 Cb -0.01 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 2xhm h THR 189 CO -0.09 0.28 0.45 0.50 0.37 0.00 0.00 175.52 177.03 2xhm h LYS 190 N 0.30 0.83 -0.16 6.66 3.64 -1.11 -1.29 116.57 125.44 2xhm h LYS 190 Ca 0.08 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2xhm h LYS 190 Cb 0.39 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2xhm h LYS 190 CO 0.01 0.55 0.08 0.00 -2.27 0.00 0.00 179.45 177.82 2xhm h ALA 191 N 1.33 0.20 -0.62 5.00 0.00 -0.96 -1.93 119.26 122.28 2xhm h ALA 191 Ca 0.30 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2xhm h ALA 191 Cb 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2xhm h ALA 191 CO -0.13 -0.25 0.35 0.00 0.00 0.00 0.00 179.25 179.21 2xhm h ALA 192 N 0.97 0.82 -0.22 0.00 0.00 -0.97 -2.38 119.26 117.48 2xhm h ALA 192 Ca 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2xhm h ALA 192 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2xhm h ALA 192 CO -0.01 0.04 -0.30 0.87 0.00 0.00 0.00 179.25 179.85 2xhm h LYS 193 N 0.67 0.44 0.00 0.00 1.57 -1.15 -0.20 116.57 117.90 2xhm h LYS 193 Ca 0.27 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2xhm h LYS 193 Cb 0.13 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2xhm h LYS 193 CO -0.15 0.70 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.28 2xhm h LEU 194 N 0.39 0.00 -1.66 2.94 3.38 -0.87 0.35 115.31 119.83 2xhm h LEU 194 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2xhm h LEU 194 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2xhm h LEU 194 CO 0.06 0.08 0.00 0.59 0.09 0.00 0.00 178.44 179.26 2xhm n ASN 195 N -3.45 2.48 -1.75 -0.43 3.02 -0.79 -4.95 115.26 109.38 2xhm n ASN 195 Ca -0.02 -1.86 -0.17 0.00 -0.03 0.00 0.00 54.58 52.50 2xhm n ASN 195 Cb 0.23 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 2xhm n ASN 195 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2xhm n ASN 196 N 0.85 -5.05 -4.88 6.41 3.02 0.11 -5.03 115.26 110.69 2xhm n ASN 196 Ca 0.17 0.13 -0.30 0.00 -0.03 0.00 0.00 54.58 54.55 2xhm n ASN 196 Cb 0.45 -4.12 -0.04 0.00 -0.61 0.00 0.00 39.78 35.46 2xhm n ASN 196 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2xhm s PHE 197 N -2.79 3.45 0.27 3.10 0.08 -0.15 -4.98 117.98 116.96 2xhm s PHE 197 Ca 0.00 0.96 -0.02 0.00 0.12 0.00 0.00 56.93 57.98 2xhm s PHE 197 Cb 0.00 -2.35 0.36 0.00 -0.57 0.00 0.00 43.02 40.46 2xhm s PHE 197 CO 0.00 0.04 1.82 1.15 -0.10 0.00 0.00 175.22 178.13 2xhm h THR 198 N 1.40 1.23 -2.77 0.64 2.02 -1.95 -3.20 112.91 110.28 2xhm h THR 198 Ca -0.47 -0.80 0.07 0.00 0.77 0.00 0.00 66.41 65.98 2xhm h THR 198 Cb 1.18 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 2xhm h THR 198 CO 0.65 0.31 0.41 -0.94 0.37 0.00 0.00 175.52 176.31 2xhm s SER 199 N -6.54 -0.03 0.55 4.18 1.04 -1.26 -4.74 113.70 106.90 2xhm s SER 199 Ca -0.10 -0.86 0.28 0.00 0.48 0.00 0.00 55.95 55.75 2xhm s SER 199 Cb 0.16 0.68 1.62 0.00 0.10 0.00 0.00 66.02 68.58 2xhm s SER 199 CO 0.81 -1.33 2.16 1.23 0.98 0.00 0.00 173.24 177.09 2xhm h GLY 200 N 2.00 0.00 0.96 7.32 0.00 -1.80 -2.40 103.07 109.15 2xhm h GLY 200 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2xhm h GLY 200 CO 0.36 0.00 0.01 0.00 0.00 0.00 0.00 176.54 176.91 2xhm h ALA 201 N 1.94 0.04 -0.30 3.60 0.00 -1.90 -0.95 119.26 121.70 2xhm h ALA 201 Ca -0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2xhm h ALA 201 Cb 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2xhm h ALA 201 CO 0.01 -0.47 -0.23 0.93 0.00 0.00 0.00 179.25 179.49 2xhm h GLU 202 N 0.03 0.57 -0.34 0.00 3.07 -1.85 -0.88 114.58 115.17 2xhm h GLU 202 Ca 0.02 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 2xhm h GLU 202 Cb 0.01 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2xhm h GLU 202 CO -0.02 0.75 0.19 0.00 -1.40 0.00 0.00 179.01 178.54 2xhm h ALA 203 N 1.25 0.43 -0.24 3.43 0.00 -1.27 -1.27 119.26 121.60 2xhm h ALA 203 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2xhm h ALA 203 Cb 0.67 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2xhm h ALA 203 CO 0.05 -0.05 0.10 -1.49 0.00 0.00 0.00 179.25 177.86 2xhm h TRP 204 N 0.43 0.35 0.00 0.00 6.55 -0.96 -3.04 115.95 119.28 2xhm h TRP 204 Ca 0.12 -0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.92 2xhm h TRP 204 Cb 0.04 -0.11 -0.00 0.00 -0.86 0.00 0.00 29.16 28.23 2xhm h TRP 204 CO -0.03 0.37 -0.07 -0.07 -1.05 0.00 0.00 178.44 177.59 2xhm h LEU 205 N 0.23 0.00 -2.01 -4.49 3.38 -0.98 -2.31 115.31 109.13 2xhm h LEU 205 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2xhm h LEU 205 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2xhm h LEU 205 CO -0.01 0.07 0.03 -0.78 0.09 0.00 0.00 178.44 177.84 2xhm h ASP 206 N 0.00 0.00 0.01 -0.43 3.58 -1.11 -1.90 116.42 116.57 2xhm h ASP 206 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2xhm h ASP 206 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2xhm h ASP 206 CO 0.01 0.00 0.00 -0.33 -2.88 0.00 0.00 179.24 176.04 2xhm h GLU 207 N 0.00 0.00 -0.02 0.28 4.39 -1.55 -2.26 114.58 115.42 2xhm h GLU 207 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2xhm h GLU 207 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2xhm h GLU 207 CO -0.00 0.00 -0.28 0.66 -1.16 0.00 0.00 179.01 178.23 2xhm n TYR 208 N -2.75 0.00 -4.07 4.33 4.01 -0.71 -4.60 117.16 113.37 2xhm n TYR 208 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.45 2xhm n TYR 208 Cb 0.06 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.02 2xhm n TYR 208 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2xhm n GLU 209 N 0.16 -2.56 -3.18 -0.72 1.02 -0.85 -4.92 120.64 109.59 2xhm n GLU 209 Ca 0.12 0.31 0.04 0.00 -0.02 0.00 0.00 57.16 57.60 2xhm n GLU 209 Cb 0.46 -4.24 -0.01 0.00 -0.02 0.00 0.00 31.44 27.63 2xhm n GLU 209 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2xhm s ASP 210 N -4.37 -1.27 0.00 1.62 3.68 -1.26 -5.01 116.67 110.05 2xhm s ASP 210 Ca 0.00 0.85 0.18 0.00 2.13 0.00 0.00 52.55 55.72 2xhm s ASP 210 Cb -0.00 2.09 0.91 0.00 -1.45 0.00 0.00 42.92 44.47 2xhm s ASP 210 CO 0.92 -0.24 1.53 -0.90 0.13 0.00 0.00 175.17 176.62 2xhm n ASP 211 N 5.43 0.00 -0.81 -0.34 5.68 -1.26 -2.06 116.55 123.19 2xhm n ASP 211 Ca -0.02 -0.01 0.08 0.00 -0.50 0.00 0.00 54.79 54.34 2xhm n ASP 211 Cb 0.51 -0.27 0.23 0.00 -1.14 0.00 0.00 41.12 40.45 2xhm n ASP 211 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2xhm n THR 212 N -1.27 1.92 -0.23 2.12 -2.24 -1.26 -4.80 114.28 108.52 2xhm n THR 212 Ca 0.09 -1.63 -0.06 0.00 -2.27 0.00 0.00 64.05 60.18 2xhm n THR 212 Cb 0.14 -0.04 0.04 0.00 -2.10 0.00 0.00 70.33 68.37 2xhm n THR 212 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2xhm h PHE 213 N 1.85 0.86 -0.23 4.78 3.57 -1.83 -1.12 116.94 124.83 2xhm h PHE 213 Ca 0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2xhm h PHE 213 Cb 1.24 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2xhm h PHE 213 CO 0.42 0.60 0.14 0.93 -2.23 0.00 0.00 178.31 178.16 2xhm h GLU 214 N 0.88 0.31 -0.78 1.11 5.08 -1.87 -2.06 114.58 117.25 2xhm h GLU 214 Ca 0.23 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2xhm h GLU 214 Cb 0.00 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2xhm h GLU 214 CO -0.04 0.25 0.50 0.37 -1.00 0.00 0.00 179.01 179.09 2xhm h GLN 215 N 0.28 0.97 -0.68 2.33 5.75 -1.82 -0.35 115.11 121.59 2xhm h GLN 215 Ca 0.08 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.57 2xhm h GLN 215 Cb 0.02 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 28.30 2xhm h GLN 215 CO -0.02 0.64 0.40 1.96 -2.65 0.00 0.00 178.83 179.16 2xhm h GLN 216 N 1.00 0.73 -0.49 1.69 4.20 -0.93 -0.30 115.11 121.00 2xhm h GLN 216 Ca 0.30 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.84 2xhm h GLN 216 Cb -0.04 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 2xhm h GLN 216 CO -0.09 0.48 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.30 2xhm h LEU 217 N 0.75 0.98 -0.46 1.46 3.38 -0.90 -1.58 115.31 118.94 2xhm h LEU 217 Ca 0.29 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2xhm h LEU 217 Cb 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2xhm h LEU 217 CO -0.15 1.13 0.22 -0.33 0.09 0.00 0.00 178.44 179.40 2xhm h GLU 218 N 0.84 0.43 -0.30 1.13 4.39 -0.47 0.14 114.58 120.74 2xhm h GLU 218 Ca 0.12 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2xhm h GLU 218 Cb 0.74 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2xhm h GLU 218 CO 0.06 0.28 0.16 -0.44 -1.16 0.00 0.00 179.01 177.91 2xhm h ASP 219 N 0.44 0.38 -0.30 1.42 3.32 -0.91 -0.35 116.42 120.43 2xhm h ASP 219 Ca 0.20 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 2xhm h ASP 219 Cb 0.12 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2xhm h ASP 219 CO -0.15 0.37 0.05 0.40 -1.72 0.00 0.00 179.24 178.19 2xhm h ILE 220 N 0.36 1.23 -0.61 0.35 2.04 -1.07 -2.72 117.51 117.09 2xhm h ILE 220 Ca 0.10 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.20 2xhm h ILE 220 Cb 0.08 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 2xhm h ILE 220 CO -0.02 0.26 0.35 0.15 0.00 0.00 0.00 178.15 178.90 2xhm h PHE 221 N 0.31 0.66 -0.54 1.37 3.57 -0.61 -2.26 116.94 119.44 2xhm h PHE 221 Ca 0.09 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.68 2xhm h PHE 221 Cb 0.34 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 2xhm h PHE 221 CO 0.02 0.35 0.36 0.00 -2.23 0.00 0.00 178.31 176.81 2xhm h ALA 222 N 1.29 1.90 -0.18 2.41 0.00 -0.90 0.16 119.26 123.94 2xhm h ALA 222 Ca 0.26 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 2xhm h ALA 222 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2xhm h ALA 222 CO -0.14 -0.00 -0.55 -0.44 0.00 0.00 0.00 179.25 178.13 2xhm h ASP 223 N 0.46 0.61 0.90 0.00 3.32 -1.10 -3.29 116.42 117.32 2xhm h ASP 223 Ca 0.24 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2xhm h ASP 223 Cb 0.33 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2xhm h ASP 223 CO -0.06 1.03 -1.11 -0.38 -1.72 0.00 0.00 179.24 177.00 2xhm n ILE 224 N -3.96 0.62 -0.29 0.35 2.08 -0.81 -4.37 119.36 112.98 2xhm n ILE 224 Ca -0.03 -0.56 0.08 0.00 0.56 0.00 0.00 62.75 62.80 2xhm n ILE 224 Cb 0.60 -0.34 0.23 0.00 -0.75 0.00 0.00 39.64 39.38 2xhm n ILE 224 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2xhm h ARG 225 N 0.00 0.56 -0.97 0.38 2.43 -0.78 -1.64 114.38 114.35 2xhm h ARG 225 Ca -0.01 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2xhm h ARG 225 Cb 1.05 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.41 2xhm h ARG 225 CO 0.00 0.37 0.64 -1.35 -1.51 0.00 0.00 179.97 178.12 2xhm h PRO 226 N 0.57 1.20 -0.75 0.20 0.11 -1.76 -1.18 132.00 130.40 2xhm h PRO 226 Ca 0.47 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.47 2xhm h PRO 226 Cb 0.71 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 2xhm h PRO 226 CO -0.39 0.80 0.33 1.25 -0.21 0.00 0.00 178.00 179.78 2xhm h LEU 227 N 1.24 1.00 -0.67 2.35 5.85 -1.59 -2.55 115.31 120.95 2xhm h LEU 227 Ca 0.38 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2xhm h LEU 227 Cb -0.01 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 2xhm h LEU 227 CO -0.11 0.88 0.42 0.22 -0.34 0.00 0.00 178.44 179.51 2xhm h TYR 228 N 1.06 0.79 -0.97 1.25 3.20 -0.91 -2.09 116.97 119.30 2xhm h TYR 228 Ca 0.25 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.20 2xhm h TYR 228 Cb 0.16 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.11 2xhm h TYR 228 CO 0.01 0.46 0.63 1.96 -1.64 0.00 0.00 178.16 179.58 2xhm h GLN 229 N 0.83 1.13 -0.53 1.82 1.08 -1.00 0.13 115.11 118.58 2xhm h GLN 229 Ca 0.27 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.31 2xhm h GLN 229 Cb -0.00 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.15 2xhm h GLN 229 CO -0.10 0.75 -0.00 1.96 -0.95 0.00 0.00 178.83 180.49 2xhm h GLN 230 N 1.16 0.93 -0.15 1.46 1.08 -1.05 0.30 115.11 118.85 2xhm h GLN 230 Ca 0.41 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2xhm h GLN 230 Cb 0.12 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2xhm h GLN 230 CO -0.16 0.95 -0.04 0.82 -0.95 0.00 0.00 178.83 179.45 2xhm h ILE 231 N 0.80 1.29 -0.15 2.54 2.04 -0.94 -1.60 117.51 121.50 2xhm h ILE 231 Ca 0.15 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 65.05 2xhm h ILE 231 Cb 0.53 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 2xhm h ILE 231 CO 0.03 0.29 -0.18 -0.74 0.00 0.00 0.00 178.15 177.55 2xhm h HIS 232 N -0.02 -0.48 -0.51 1.37 2.76 -0.70 -0.22 115.15 117.36 2xhm h HIS 232 Ca 0.04 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.29 2xhm h HIS 232 Cb 0.47 0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.62 2xhm h HIS 232 CO 0.05 -0.26 0.24 0.78 -1.30 0.00 0.00 177.93 177.44 2xhm h GLY 233 N -0.22 0.71 1.03 5.26 0.00 -0.86 -1.16 103.07 107.83 2xhm h GLY 233 Ca 0.10 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 2xhm h GLY 233 CO -0.28 0.08 -0.15 -1.82 0.00 0.00 0.00 176.54 174.37 2xhm h TYR 234 N 0.46 0.99 -0.44 5.60 5.03 -1.04 -1.83 116.97 125.74 2xhm h TYR 234 Ca 0.23 -0.23 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 2xhm h TYR 234 Cb 0.18 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.20 2xhm h TYR 234 CO -0.12 0.99 0.24 0.28 -1.32 0.00 0.00 178.16 178.23 2xhm h VAL 235 N 0.70 1.16 -0.55 1.81 2.07 -0.79 -1.14 116.25 119.51 2xhm h VAL 235 Ca 0.11 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.22 2xhm h VAL 235 Cb 0.70 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2xhm h VAL 235 CO 0.05 0.17 0.36 -0.09 0.02 0.00 0.00 177.57 178.08 2xhm h ARG 236 N 0.57 0.71 -0.31 1.57 2.43 -1.15 0.76 114.38 118.96 2xhm h ARG 236 Ca 0.15 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 2xhm h ARG 236 Cb 0.06 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.39 2xhm h ARG 236 CO -0.02 0.47 -0.04 0.35 -1.51 0.00 0.00 179.97 179.22 2xhm h PHE 237 N 0.73 -0.08 -0.12 2.20 3.57 -1.12 -1.50 116.94 120.62 2xhm h PHE 237 Ca 0.20 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 2xhm h PHE 237 Cb -0.07 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2xhm h PHE 237 CO -0.04 -0.09 -0.47 0.00 -2.23 0.00 0.00 178.31 175.48 2xhm h ARG 238 N 0.05 0.30 -0.19 1.11 2.47 -0.75 -2.86 114.38 114.51 2xhm h ARG 238 Ca 0.15 -0.16 -0.10 0.00 -1.26 0.00 0.00 59.98 58.60 2xhm h ARG 238 Cb 0.22 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 2xhm h ARG 238 CO -0.28 0.71 -0.33 -0.07 0.56 0.00 0.00 179.97 180.56 2xhm h LEU 239 N 0.24 0.40 -0.95 3.04 3.38 -0.63 -2.68 115.31 118.11 2xhm h LEU 239 Ca 0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2xhm h LEU 239 Cb 0.93 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2xhm h LEU 239 CO 0.08 0.71 0.27 0.03 0.09 0.00 0.00 178.44 179.62 2xhm h ARG 240 N 0.33 1.03 -0.21 1.13 3.08 -1.06 0.13 114.38 118.81 2xhm h ARG 240 Ca 0.04 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 2xhm h ARG 240 Cb 0.75 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2xhm h ARG 240 CO 0.06 0.84 -0.21 0.87 -1.07 0.00 0.00 179.97 180.46 2xhm h LYS 241 N 1.00 0.38 0.00 0.04 1.57 -1.34 0.23 116.57 118.46 2xhm h LYS 241 Ca 0.23 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2xhm h LYS 241 Cb 0.21 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2xhm h LYS 241 CO -0.02 0.58 -0.10 1.25 -0.57 0.00 0.00 179.45 180.59 2xhm h HIS 242 N 0.35 0.00 0.00 -1.35 2.76 -1.13 -3.40 115.15 112.38 2xhm h HIS 242 Ca 0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2xhm h HIS 242 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2xhm h HIS 242 CO 0.01 1.01 -1.58 0.66 -1.30 0.00 0.00 177.93 176.74 2xhm n TYR 243 N -4.60 0.30 0.00 5.26 4.01 0.43 -5.10 117.16 117.46 2xhm n TYR 243 Ca -0.12 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2xhm n TYR 243 Cb 0.48 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 2xhm n TYR 243 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2xhm n GLY 244 N 1.26 -1.00 0.07 2.72 0.00 0.80 -4.49 105.19 104.55 2xhm n GLY 244 Ca -0.02 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.50 2xhm n GLY 244 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2xhm n ASP 245 N -1.54 0.48 0.18 1.61 9.92 -1.26 -2.36 116.55 123.59 2xhm n ASP 245 Ca 0.00 0.57 0.02 0.00 -0.53 0.00 0.00 54.79 54.86 2xhm n ASP 245 Cb 0.00 -0.69 0.34 0.00 -0.64 0.00 0.00 41.12 40.13 2xhm n ASP 245 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2xhm h ALA 246 N 2.56 1.29 0.06 2.24 0.00 -1.96 -3.33 119.26 120.13 2xhm h ALA 246 Ca 0.00 -0.37 -0.37 0.00 0.00 0.00 0.00 54.91 54.17 2xhm h ALA 246 Cb 0.52 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2xhm h ALA 246 CO 0.00 0.50 -2.19 0.28 0.00 0.00 0.00 179.25 177.84 2xhm n VAL 247 N -3.99 1.63 -4.05 0.00 0.31 -1.03 -4.91 118.33 106.29 2xhm n VAL 247 Ca -0.02 -0.57 -0.29 0.00 -0.01 0.00 0.00 64.34 63.45 2xhm n VAL 247 Cb 0.44 -1.63 -0.17 0.00 -0.91 0.00 0.00 33.84 31.58 2xhm n VAL 247 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2xhm s VAL 248 N -2.53 1.50 0.43 2.52 1.01 -1.00 -4.81 120.40 117.52 2xhm s VAL 248 Ca -0.29 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 2xhm s VAL 248 Cb 0.08 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2xhm s VAL 248 CO 0.67 0.45 0.77 -0.94 0.00 0.00 0.00 175.10 176.05 2xhm s SER 249 N 1.46 6.43 0.21 3.32 1.04 -1.26 -4.18 113.70 120.72 2xhm s SER 249 Ca 0.04 1.06 -0.02 0.00 0.48 0.00 0.00 55.95 57.51 2xhm s SER 249 Cb -0.13 -2.30 0.19 0.00 0.10 0.00 0.00 66.02 63.88 2xhm s SER 249 CO -0.09 -0.46 1.57 -0.08 0.98 0.00 0.00 173.24 175.16 2xhm h GLU 250 N 0.92 0.58 -0.00 4.02 4.81 -1.94 -3.35 114.58 119.62 2xhm h GLU 250 Ca -0.47 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.46 2xhm h GLU 250 Cb 1.19 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2xhm h GLU 250 CO 0.63 0.90 -0.53 0.25 -0.73 0.00 0.00 179.01 179.53 2xhm n THR 251 N -4.02 0.00 -2.87 0.32 -2.24 -1.26 -4.85 114.28 99.35 2xhm n THR 251 Ca -0.02 -0.24 -0.19 0.00 -2.27 0.00 0.00 64.05 61.34 2xhm n THR 251 Cb 0.53 1.01 0.02 0.00 -2.10 0.00 0.00 70.33 69.79 2xhm n THR 251 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2xhm s GLY 252 N -2.06 1.89 0.55 3.38 0.00 -1.26 -1.20 107.32 108.63 2xhm s GLY 252 Ca 0.05 -1.58 -0.22 0.00 0.00 0.00 0.00 44.72 42.98 2xhm s GLY 252 CO 0.47 -1.34 1.33 -1.05 0.00 0.00 0.00 173.10 172.51 2xhm n PRO 253 N -2.06 1.63 -2.25 2.90 -0.02 -1.26 -4.79 135.00 129.15 2xhm n PRO 253 Ca 0.09 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 2xhm n PRO 253 Cb 0.59 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 2xhm n PRO 253 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2xhm s ILE 254 N -1.30 3.63 -0.01 4.25 1.01 -0.45 -4.75 121.20 123.58 2xhm s ILE 254 Ca 0.72 1.13 -0.30 0.00 0.00 0.00 0.00 60.65 62.20 2xhm s ILE 254 Cb -0.42 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 2xhm s ILE 254 CO 0.49 0.06 1.96 -2.84 0.00 0.00 0.00 174.94 174.61 2xhm s PRO 255 N 1.50 4.02 0.49 2.79 0.02 -1.26 -1.81 135.00 140.75 2xhm s PRO 255 Ca 0.63 2.49 0.26 0.00 0.02 0.00 0.00 61.00 64.40 2xhm s PRO 255 Cb -0.33 -4.17 1.24 0.00 0.02 0.00 0.00 34.50 31.26 2xhm s PRO 255 CO 0.29 -1.09 1.97 0.00 -0.33 0.00 0.00 177.00 177.84 2xhm h MET 256 N 11.03 0.00 0.00 5.54 -0.00 -1.37 -2.83 114.93 127.31 2xhm h MET 256 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.23 2xhm h MET 256 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.83 2xhm h MET 256 CO 0.95 0.16 0.00 -2.39 -0.00 0.00 0.00 176.91 175.63 2xhm n HIS 257 N -3.51 0.27 1.34 -0.10 1.44 -1.26 -2.20 115.22 111.20 2xhm n HIS 257 Ca -0.01 0.11 0.13 0.00 -2.01 0.00 0.00 57.72 55.94 2xhm n HIS 257 Cb 0.32 -0.68 0.43 0.00 0.12 0.00 0.00 29.99 30.18 2xhm n HIS 257 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2xhm n LEU 258 N -1.75 1.81 -1.15 2.39 4.77 -1.07 -4.34 117.00 117.66 2xhm n LEU 258 Ca 0.03 -0.64 0.12 0.00 -0.03 0.00 0.00 56.01 55.49 2xhm n LEU 258 Cb 0.17 -0.03 0.25 0.00 -2.33 0.00 0.00 43.42 41.49 2xhm n LEU 258 CO 0.14 0.32 0.72 0.18 -1.33 0.00 0.00 177.39 177.43 2xhm n LEU 259 N 0.41 3.40 -0.03 2.23 4.77 -0.93 -4.95 117.00 121.90 2xhm n LEU 259 Ca 0.18 -1.52 -0.00 0.00 -0.03 0.00 0.00 56.01 54.64 2xhm n LEU 259 Cb 0.39 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2xhm n LEU 259 CO 0.16 0.76 -0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2xhm n GLY 260 N 1.51 0.47 3.21 -0.72 0.00 -1.26 -4.42 105.19 103.98 2xhm n GLY 260 Ca 0.20 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2xhm n GLY 260 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2xhm s ASN 261 N -2.28 -0.37 0.55 1.61 3.84 -1.26 -4.12 114.94 112.91 2xhm s ASN 261 Ca 0.00 0.70 0.24 0.00 0.21 0.00 0.00 52.86 54.00 2xhm s ASN 261 Cb 0.00 0.66 1.49 0.00 -0.55 0.00 0.00 41.25 42.85 2xhm s ASN 261 CO 0.00 -0.14 2.11 -0.03 -2.79 0.00 0.00 177.10 176.25 2xhm h MET 262 N 6.09 0.00 -0.07 0.43 1.85 -1.93 -1.84 114.93 119.47 2xhm h MET 262 Ca -0.30 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 2xhm h MET 262 Cb 1.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.21 2xhm h MET 262 CO 0.31 0.00 0.00 0.91 -0.40 0.00 0.00 176.91 177.73 2xhm n TRP 263 N -4.19 0.08 -2.71 1.39 8.01 -1.26 -4.98 117.44 113.78 2xhm n TRP 263 Ca 0.01 -0.20 -0.17 0.00 -1.31 0.00 0.00 57.50 55.83 2xhm n TRP 263 Cb 0.29 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.57 2xhm n TRP 263 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2xhm n ALA 264 N 0.14 -0.84 0.09 6.99 0.00 -0.69 -4.88 120.51 121.32 2xhm n ALA 264 Ca 0.04 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 2xhm n ALA 264 Cb 0.21 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 17.34 2xhm n ALA 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2xhm h GLN 265 N -0.42 0.00 -3.54 0.00 3.07 -1.93 -3.45 115.11 108.84 2xhm h GLN 265 Ca -0.39 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.15 2xhm h GLN 265 Cb 1.28 0.00 -0.26 0.00 0.08 0.00 0.00 27.48 28.58 2xhm h GLN 265 CO 0.46 0.78 -0.60 -0.65 0.09 0.00 0.00 178.83 178.91 2xhm s GLN 266 N -2.81 0.18 -0.04 0.06 -0.21 -1.26 -3.28 119.66 112.30 2xhm s GLN 266 Ca 0.02 0.01 0.12 0.00 0.02 0.00 0.00 55.36 55.53 2xhm s GLN 266 Cb 0.09 0.08 0.35 0.00 1.00 0.00 0.00 33.01 34.52 2xhm s GLN 266 CO 0.79 -0.03 1.28 0.91 -2.12 0.00 0.00 175.29 176.13 2xhm n TRP 267 N 2.72 0.55 0.30 0.91 8.01 0.03 -4.46 117.44 125.51 2xhm n TRP 267 Ca -0.15 -0.58 0.17 0.00 -1.31 0.00 0.00 57.50 55.64 2xhm n TRP 267 Cb 0.58 -0.09 0.97 0.00 -2.01 0.00 0.00 31.31 30.77 2xhm n TRP 267 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2xhm h SER 268 N 1.93 0.00 0.54 -0.99 4.64 -1.83 -2.23 113.55 115.61 2xhm h SER 268 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2xhm h SER 268 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2xhm h SER 268 CO 0.05 0.02 0.00 -0.33 -0.87 0.00 0.00 176.83 175.70 2xhm h GLU 269 N 0.00 0.00 -0.53 4.77 4.39 -1.83 -2.07 114.58 119.30 2xhm h GLU 269 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2xhm h GLU 269 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2xhm h GLU 269 CO 0.00 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.29 2xhm n ILE 270 N -3.00 1.55 -0.12 3.13 -5.35 -0.84 -4.61 119.36 110.12 2xhm n ILE 270 Ca -0.01 -1.21 0.16 0.00 -0.27 0.00 0.00 62.75 61.42 2xhm n ILE 270 Cb 0.19 0.23 0.55 0.00 -1.74 0.00 0.00 39.64 38.87 2xhm n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2xhm h ALA 271 N 3.28 2.20 0.00 -1.28 0.00 -1.49 -1.38 119.26 120.59 2xhm h ALA 271 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2xhm h ALA 271 Cb 1.19 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2xhm h ALA 271 CO 0.13 -0.38 -0.05 0.38 0.00 0.00 0.00 179.25 179.34 2xhm h ASP 272 N 0.32 0.00 -0.00 0.00 2.03 -1.83 -1.08 116.42 115.86 2xhm h ASP 272 Ca 0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.64 2xhm h ASP 272 Cb 0.86 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.36 2xhm h ASP 272 CO -0.09 0.05 -0.64 2.30 -1.03 0.00 0.00 179.24 179.83 2xhm n ILE 273 N -3.29 0.00 -0.10 4.15 -5.35 -0.54 -4.61 119.36 109.62 2xhm n ILE 273 Ca -0.01 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2xhm n ILE 273 Cb 0.21 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 2xhm n ILE 273 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2xhm n VAL 274 N -1.09 0.50 -2.18 7.28 0.24 -1.05 -4.80 118.33 117.23 2xhm n VAL 274 Ca 0.04 -0.70 -0.41 0.00 -2.04 0.00 0.00 64.34 61.23 2xhm n VAL 274 Cb 0.26 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.40 2xhm n VAL 274 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2xhm s SER 275 N -0.50 6.85 0.27 -1.34 1.04 -0.43 -4.93 113.70 114.66 2xhm s SER 275 Ca 0.00 2.53 -0.01 0.00 0.48 0.00 0.00 55.95 58.95 2xhm s SER 275 Cb 0.00 -2.63 0.59 0.00 0.10 0.00 0.00 66.02 64.08 2xhm s SER 275 CO 0.00 -0.52 1.69 -0.65 0.98 0.00 0.00 173.24 174.74 2xhm h PRO 276 N 4.48 0.32 -2.97 4.02 0.11 -1.91 -3.32 132.00 132.74 2xhm h PRO 276 Ca -0.47 -0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 2xhm h PRO 276 Cb 1.22 -0.07 -0.40 0.00 0.11 0.00 0.00 31.00 31.85 2xhm h PRO 276 CO 0.72 0.21 -0.72 -0.06 -0.21 0.00 0.00 178.00 177.95 2xhm s PHE 277 N -5.97 2.43 0.51 0.65 0.08 -1.26 -4.98 117.98 109.43 2xhm s PHE 277 Ca -0.12 -2.76 0.34 0.00 0.12 0.00 0.00 56.93 54.51 2xhm s PHE 277 Cb 0.23 -2.08 1.86 0.00 -0.57 0.00 0.00 43.02 42.46 2xhm s PHE 277 CO 0.77 -0.72 2.21 -1.35 -0.10 0.00 0.00 175.22 176.03 2xhm h PRO 278 N 6.16 0.00 0.00 0.24 0.11 -1.97 -1.23 132.00 135.32 2xhm h PRO 278 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2xhm h PRO 278 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2xhm h PRO 278 CO 0.56 0.04 -0.30 0.39 -0.21 0.00 0.00 178.00 178.48 2xhm n GLU 279 N -3.46 0.09 -3.73 1.05 1.02 -1.26 -4.86 120.64 109.49 2xhm n GLU 279 Ca -0.02 0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 56.96 2xhm n GLU 279 Cb 0.15 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 29.98 2xhm n GLU 279 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2xhm s LYS 280 N -3.04 3.15 0.33 3.49 -0.14 -0.47 -5.07 119.74 118.00 2xhm s LYS 280 Ca 0.11 -0.97 -0.29 0.00 -1.36 0.00 0.00 55.97 53.46 2xhm s LYS 280 Cb 0.17 -2.77 -0.11 0.00 -1.68 0.00 0.00 37.83 33.44 2xhm s LYS 280 CO 0.64 0.21 1.42 -1.25 -0.76 0.00 0.00 175.35 175.61 2xhm s PRO 281 N -4.06 4.23 -0.14 -1.68 0.04 -1.26 -4.95 135.00 127.18 2xhm s PRO 281 Ca 0.40 2.40 0.01 0.00 0.04 0.00 0.00 61.00 63.85 2xhm s PRO 281 Cb -0.09 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.44 2xhm s PRO 281 CO 0.29 -0.39 -0.17 -1.17 0.04 0.00 0.00 177.00 175.60 2xhm s LEU 282 N -1.57 1.86 -0.17 -3.56 2.96 -1.26 -4.80 118.68 112.14 2xhm s LEU 282 Ca 0.53 -0.52 -0.29 0.00 -0.22 0.00 0.00 54.13 53.63 2xhm s LEU 282 Cb -0.43 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2xhm s LEU 282 CO 0.55 0.00 1.64 -0.69 -1.32 0.00 0.00 176.35 176.53 2xhm s VAL 283 N 1.17 3.66 -0.34 1.68 1.01 -1.26 -4.94 120.40 121.37 2xhm s VAL 283 Ca -0.01 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.75 2xhm s VAL 283 Cb -0.14 -3.61 0.15 0.00 0.00 0.00 0.00 36.38 32.78 2xhm s VAL 283 CO -0.07 -0.21 0.38 -0.62 0.00 0.00 0.00 175.10 174.58 2xhm s ASP 284 N 4.02 1.02 0.00 3.32 3.68 -1.26 -5.04 116.67 122.41 2xhm s ASP 284 Ca 0.72 -1.17 0.25 0.00 2.13 0.00 0.00 52.55 54.48 2xhm s ASP 284 Cb -0.28 0.71 0.84 0.00 -1.45 0.00 0.00 42.92 42.74 2xhm s ASP 284 CO 0.29 -0.30 1.61 1.33 0.13 0.00 0.00 175.17 178.23 2xhm n VAL 285 N 4.67 0.11 -0.19 1.11 0.24 -1.26 -4.32 118.33 118.68 2xhm n VAL 285 Ca 0.06 -0.33 -0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2xhm n VAL 285 Cb 0.47 0.54 0.10 0.00 -1.47 0.00 0.00 33.84 33.48 2xhm n VAL 285 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2xhm h SER 286 N 2.58 0.07 -0.62 -1.34 0.02 -1.90 -0.21 113.55 112.15 2xhm h SER 286 Ca 0.00 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2xhm h SER 286 Cb 0.56 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 2xhm h SER 286 CO 0.00 0.05 0.31 0.00 -1.14 0.00 0.00 176.83 176.05 2xhm h ALA 287 N 1.44 0.79 -0.29 3.77 0.00 -1.91 -2.14 119.26 120.92 2xhm h ALA 287 Ca 0.30 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2xhm h ALA 287 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2xhm h ALA 287 CO -0.36 0.34 -0.21 0.93 0.00 0.00 0.00 179.25 179.95 2xhm h GLU 288 N 0.84 0.54 -0.28 0.00 4.39 -1.68 -0.90 114.58 117.50 2xhm h GLU 288 Ca 0.21 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2xhm h GLU 288 Cb 0.09 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2xhm h GLU 288 CO -0.03 0.72 0.17 0.52 -1.16 0.00 0.00 179.01 179.23 2xhm h MET 289 N 0.48 0.38 -0.67 2.33 2.86 -0.76 0.09 114.93 119.65 2xhm h MET 289 Ca 0.08 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 2xhm h MET 289 Cb 0.63 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 2xhm h MET 289 CO 0.05 0.29 0.14 0.93 1.06 0.00 0.00 176.91 179.38 2xhm h GLU 290 N 0.36 1.07 -0.63 1.72 5.08 -1.18 -1.32 114.58 119.67 2xhm h GLU 290 Ca 0.10 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2xhm h GLU 290 Cb 0.01 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2xhm h GLU 290 CO -0.02 0.96 0.11 -0.22 -1.00 0.00 0.00 179.01 178.84 2xhm h LYS 291 N 1.01 1.02 -0.00 2.33 3.64 -0.88 -2.34 116.57 121.35 2xhm h LYS 291 Ca 0.21 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2xhm h LYS 291 Cb 0.38 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2xhm h LYS 291 CO 0.01 0.93 0.00 1.04 -2.27 0.00 0.00 179.45 179.16 2xhm n GLN 292 N -4.23 1.01 -2.09 1.90 6.02 -0.00 -4.91 117.38 115.09 2xhm n GLN 292 Ca 0.04 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 56.94 2xhm n GLN 292 Cb 0.27 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 30.15 2xhm n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2xhm n GLY 293 N 0.89 0.11 3.64 1.08 0.00 -0.88 -5.00 105.19 105.03 2xhm n GLY 293 Ca 0.18 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 2xhm n GLY 293 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2xhm n TYR 294 N -3.93 1.36 -4.36 1.61 0.53 -0.52 -5.04 117.16 106.82 2xhm n TYR 294 Ca -0.09 0.51 -0.18 0.00 -1.02 0.00 0.00 57.90 57.11 2xhm n TYR 294 Cb 0.55 -2.25 -0.10 0.00 -1.03 0.00 0.00 39.34 36.51 2xhm n TYR 294 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2xhm s THR 295 N -1.32 1.39 0.22 -0.72 -4.23 -1.26 -4.88 115.64 104.84 2xhm s THR 295 Ca 0.66 -2.10 -0.09 0.00 -1.18 0.00 0.00 61.69 58.98 2xhm s THR 295 Cb -0.50 -2.26 0.17 0.00 1.34 0.00 0.00 72.50 71.24 2xhm s THR 295 CO 0.54 -0.42 1.73 -0.65 -0.54 0.00 0.00 174.62 175.28 2xhm h PRO 296 N 2.46 0.36 -0.40 3.99 0.11 -1.90 -1.49 132.00 135.13 2xhm h PRO 296 Ca -0.39 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.77 2xhm h PRO 296 Cb 1.22 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 2xhm h PRO 296 CO 0.65 0.24 0.02 1.25 -0.21 0.00 0.00 178.00 179.95 2xhm h LEU 297 N 0.37 -0.11 -0.66 2.35 5.85 -1.97 -1.28 115.31 119.86 2xhm h LEU 297 Ca 0.33 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.17 2xhm h LEU 297 Cb 0.46 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2xhm h LEU 297 CO -0.36 -0.02 0.40 0.50 -0.34 0.00 0.00 178.44 178.62 2xhm h LYS 298 N 0.14 0.76 -0.40 1.25 1.63 -1.85 -0.64 116.57 117.44 2xhm h LYS 298 Ca 0.20 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.97 2xhm h LYS 298 Cb 0.27 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2xhm h LYS 298 CO -0.31 0.50 0.24 0.52 -3.45 0.00 0.00 179.45 176.95 2xhm h MET 299 N 0.78 0.47 -0.65 1.90 2.86 -0.55 0.27 114.93 120.01 2xhm h MET 299 Ca 0.27 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.79 2xhm h MET 299 Cb 0.05 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2xhm h MET 299 CO -0.12 0.31 0.07 0.74 1.06 0.00 0.00 176.91 178.98 2xhm h PHE 300 N 0.49 1.18 -0.61 -0.22 0.04 -1.00 -1.51 116.94 115.31 2xhm h PHE 300 Ca 0.16 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 2xhm h PHE 300 Cb 0.00 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.80 2xhm h PHE 300 CO -0.07 1.00 0.28 1.96 -0.60 0.00 0.00 178.31 180.89 2xhm h GLN 301 N 1.01 0.86 -0.40 1.51 4.20 -0.83 -0.43 115.11 121.03 2xhm h GLN 301 Ca 0.19 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 2xhm h GLN 301 Cb 0.49 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2xhm h GLN 301 CO 0.02 0.68 -0.27 0.52 -0.67 0.00 0.00 178.83 179.11 2xhm h MET 302 N 0.86 0.84 -0.11 1.46 2.86 -0.65 -0.83 114.93 119.37 2xhm h MET 302 Ca 0.21 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2xhm h MET 302 Cb 0.11 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2xhm h MET 302 CO -0.03 1.01 0.06 0.78 1.06 0.00 0.00 176.91 179.79 2xhm h GLY 303 N 0.92 0.16 0.27 8.32 0.00 -0.83 -1.47 103.07 110.44 2xhm h GLY 303 Ca 0.09 -0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.43 2xhm h GLY 303 CO 0.07 0.07 0.05 -1.80 0.00 0.00 0.00 176.54 174.92 2xhm h ASP 304 N 0.08 -0.11 -0.74 0.19 3.58 -0.99 -1.29 116.42 117.13 2xhm h ASP 304 Ca 0.04 0.10 0.10 0.00 0.42 0.00 0.00 57.03 57.69 2xhm h ASP 304 Cb 0.08 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.22 2xhm h ASP 304 CO -0.01 -0.03 0.38 -0.78 -2.88 0.00 0.00 179.24 175.93 2xhm h ASP 305 N 0.17 0.51 -0.26 2.28 3.58 -0.97 -0.79 116.42 120.93 2xhm h ASP 305 Ca 0.25 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2xhm h ASP 305 Cb 0.35 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2xhm h ASP 305 CO -0.37 0.28 0.17 0.15 -2.88 0.00 0.00 179.24 176.60 2xhm h PHE 306 N 0.64 0.34 0.16 0.28 3.57 -0.16 0.51 116.94 122.28 2xhm h PHE 306 Ca 0.37 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 2xhm h PHE 306 Cb 0.38 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2xhm h PHE 306 CO -0.10 0.24 -0.08 0.74 -2.23 0.00 0.00 178.31 176.88 2xhm h PHE 307 N 0.35 -0.21 -0.12 0.41 0.04 -0.93 -2.95 116.94 113.53 2xhm h PHE 307 Ca 0.10 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 2xhm h PHE 307 Cb -0.01 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2xhm h PHE 307 CO -0.05 0.01 0.00 1.79 -0.60 0.00 0.00 178.31 179.46 2xhm h THR 308 N -0.39 1.08 0.00 -1.55 1.35 -1.11 -1.23 112.91 111.06 2xhm h THR 308 Ca -0.02 -0.30 -0.03 0.00 -0.55 0.00 0.00 66.41 65.51 2xhm h THR 308 Cb 0.31 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2xhm h THR 308 CO 0.04 0.10 -0.12 0.77 -0.25 0.00 0.00 175.52 176.05 2xhm h SER 309 N 0.16 0.00 -0.40 5.36 4.64 -0.73 -0.50 113.55 122.08 2xhm h SER 309 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2xhm h SER 309 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2xhm h SER 309 CO 0.00 0.12 0.00 0.23 -0.87 0.00 0.00 176.83 176.32 2xhm n MET 310 N -4.05 1.96 -2.39 4.77 2.00 -0.53 -3.64 117.12 115.23 2xhm n MET 310 Ca -0.02 -1.45 -0.12 0.00 0.00 0.00 0.00 57.70 56.11 2xhm n MET 310 Cb 0.21 -1.32 0.00 0.00 0.00 0.00 0.00 33.22 32.11 2xhm n MET 310 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2xhm n ASN 311 N 0.67 -3.82 -5.00 7.83 5.15 -0.20 -3.78 115.26 116.12 2xhm n ASN 311 Ca 0.13 -0.07 -0.22 0.00 -0.60 0.00 0.00 54.58 53.83 2xhm n ASN 311 Cb 0.35 -2.92 0.05 0.00 -0.53 0.00 0.00 39.78 36.72 2xhm n ASN 311 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2xhm s LEU 312 N -3.50 2.89 0.02 1.20 1.43 -0.80 -4.92 118.68 115.01 2xhm s LEU 312 Ca 0.06 -1.04 -0.30 0.00 -1.03 0.00 0.00 54.13 51.83 2xhm s LEU 312 Cb -0.03 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2xhm s LEU 312 CO 0.08 -1.34 1.02 -0.89 0.23 0.00 0.00 176.35 175.45 2xhm s THR 313 N -2.74 4.69 0.45 5.49 2.01 -1.26 -4.02 115.64 120.26 2xhm s THR 313 Ca 0.53 1.95 -0.25 0.00 0.31 0.00 0.00 61.69 64.23 2xhm s THR 313 Cb -0.04 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.14 2xhm s THR 313 CO 0.33 0.16 1.37 -0.75 -0.69 0.00 0.00 174.62 175.04 2xhm s LYS 314 N 0.96 3.72 0.15 4.92 2.20 -1.26 -4.67 119.74 125.76 2xhm s LYS 314 Ca 0.53 2.28 -0.31 0.00 -0.36 0.00 0.00 55.97 58.11 2xhm s LYS 314 Cb -0.23 -2.63 -0.10 0.00 -1.51 0.00 0.00 37.83 33.36 2xhm s LYS 314 CO 0.28 -0.74 1.62 -0.51 -0.36 0.00 0.00 175.35 175.65 2xhm s LEU 315 N -2.73 4.37 0.83 5.43 1.43 -1.26 -4.99 118.68 121.76 2xhm s LEU 315 Ca 0.61 2.64 -0.12 0.00 -1.03 0.00 0.00 54.13 56.24 2xhm s LEU 315 Cb -0.41 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.31 2xhm s LEU 315 CO 0.52 -0.87 1.10 -2.16 0.23 0.00 0.00 176.35 175.17 2xhm s PRO 316 N 1.51 1.84 0.34 1.29 0.04 -1.26 -4.95 135.00 133.82 2xhm s PRO 316 Ca 0.72 0.67 0.03 0.00 0.04 0.00 0.00 61.00 62.45 2xhm s PRO 316 Cb -0.44 -1.89 0.60 0.00 0.04 0.00 0.00 34.50 32.81 2xhm s PRO 316 CO 0.32 -1.80 1.94 0.37 0.04 0.00 0.00 177.00 177.87 2xhm h GLN 317 N -1.22 0.72 -0.90 4.56 5.75 -1.94 -1.92 115.11 120.16 2xhm h GLN 317 Ca -0.48 -0.09 0.11 0.00 -0.15 0.00 0.00 58.65 58.05 2xhm h GLN 317 Cb 1.27 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 29.62 2xhm h GLN 317 CO 0.58 0.57 0.58 -0.44 -2.65 0.00 0.00 178.83 177.47 2xhm h ASP 318 N 0.72 0.76 0.17 -0.69 5.19 -1.92 -0.48 116.42 120.17 2xhm h ASP 318 Ca 0.18 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 2xhm h ASP 318 Cb 0.10 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2xhm h ASP 318 CO -0.02 0.42 -0.17 0.15 -3.12 0.00 0.00 179.24 176.50 2xhm h PHE 319 N 0.83 -0.44 -0.39 4.55 3.57 -1.40 -0.76 116.94 122.90 2xhm h PHE 319 Ca 0.43 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.84 2xhm h PHE 319 Cb 0.52 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2xhm h PHE 319 CO -0.00 -0.26 -0.14 -1.49 -2.23 0.00 0.00 178.31 174.20 2xhm h TRP 320 N -0.37 0.76 -0.17 0.41 4.06 -1.45 -1.20 115.95 117.99 2xhm h TRP 320 Ca 0.00 -0.14 -0.15 0.00 2.06 0.00 0.00 58.89 60.66 2xhm h TRP 320 Cb 0.35 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 2xhm h TRP 320 CO -0.14 0.79 -0.53 -0.44 -3.56 0.00 0.00 178.44 174.56 2xhm h ASP 321 N 0.63 0.55 0.00 -3.49 3.32 -0.97 -3.37 116.42 113.08 2xhm h ASP 321 Ca 0.11 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2xhm h ASP 321 Cb 0.59 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2xhm h ASP 321 CO 0.04 0.98 -1.00 0.29 -1.72 0.00 0.00 179.24 177.83 2xhm n LYS 322 N -3.96 1.87 -1.79 3.56 5.02 -0.31 -5.02 118.16 117.54 2xhm n LYS 322 Ca -0.03 -0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 55.88 2xhm n LYS 322 Cb 0.59 -1.09 0.05 0.00 -0.02 0.00 0.00 35.03 34.56 2xhm n LYS 322 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2xhm s SER 323 N -2.53 5.00 -0.30 4.39 0.01 -0.46 -4.92 113.70 114.89 2xhm s SER 323 Ca -0.01 2.15 -0.03 0.00 1.31 0.00 0.00 55.95 59.37 2xhm s SER 323 Cb 0.06 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.76 2xhm s SER 323 CO 0.37 -1.71 0.01 -0.63 0.41 0.00 0.00 173.24 171.69 2xhm s ILE 324 N -2.10 3.20 -0.61 1.44 1.01 -0.37 -4.97 121.20 118.79 2xhm s ILE 324 Ca 0.71 -1.21 0.07 0.00 0.00 0.00 0.00 60.65 60.21 2xhm s ILE 324 Cb -0.24 -2.78 0.17 0.00 0.01 0.00 0.00 42.46 39.62 2xhm s ILE 324 CO 0.39 -0.05 1.09 2.30 0.00 0.00 0.00 174.94 178.68 2xhm n ILE 325 N 4.69 0.85 -3.89 2.92 -5.35 -1.25 -0.58 119.36 116.74 2xhm n ILE 325 Ca -0.14 -0.92 -0.11 0.00 -0.27 0.00 0.00 62.75 61.31 2xhm n ILE 325 Cb 0.45 0.60 -0.11 0.00 -1.74 0.00 0.00 39.64 38.83 2xhm n ILE 325 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2xhm s GLU 326 N -0.93 0.33 0.07 6.28 2.02 -1.09 -3.35 118.70 122.03 2xhm s GLU 326 Ca 0.13 -0.29 -0.31 0.00 0.02 0.00 0.00 54.97 54.53 2xhm s GLU 326 Cb 0.07 0.14 -0.09 0.00 0.10 0.00 0.00 34.13 34.35 2xhm s GLU 326 CO 0.10 -0.07 1.79 0.21 0.02 0.00 0.00 175.26 177.31 2xhm s LYS 327 N -0.98 4.16 0.42 1.61 2.20 -1.26 -4.80 119.74 121.10 2xhm s LYS 327 Ca -0.11 2.48 -0.26 0.00 -0.36 0.00 0.00 55.97 57.73 2xhm s LYS 327 Cb -0.06 -3.77 -0.10 0.00 -1.51 0.00 0.00 37.83 32.40 2xhm s LYS 327 CO 0.00 -0.84 1.31 -0.35 -0.36 0.00 0.00 175.35 175.11 2xhm n PRO 328 N 6.23 2.01 -0.11 4.03 -0.04 -1.26 -4.94 135.00 140.92 2xhm n PRO 328 Ca 0.18 0.72 0.12 0.00 -0.04 0.00 0.00 63.50 64.47 2xhm n PRO 328 Cb 0.40 -2.43 0.23 0.00 -0.04 0.00 0.00 33.50 31.66 2xhm n PRO 328 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2xhm n THR 329 N -0.17 0.29 -1.38 0.52 -2.24 -1.26 -4.89 114.28 105.14 2xhm n THR 329 Ca 0.06 -0.58 -0.17 0.00 -2.27 0.00 0.00 64.05 61.09 2xhm n THR 329 Cb 0.40 1.00 0.12 0.00 -2.10 0.00 0.00 70.33 69.75 2xhm n THR 329 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2xhm n ASP 330 N 1.19 -0.29 -0.07 3.42 5.68 -1.26 -4.96 116.55 120.25 2xhm n ASP 330 Ca 0.17 -1.19 0.09 0.00 -0.50 0.00 0.00 54.79 53.36 2xhm n ASP 330 Cb 0.55 -0.58 0.52 0.00 -1.14 0.00 0.00 41.12 40.46 2xhm n ASP 330 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2xhm n GLY 331 N -0.32 -0.83 3.77 6.12 0.00 -1.26 -4.96 105.19 107.70 2xhm n GLY 331 Ca 0.09 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2xhm n GLY 331 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2xhm s ARG 332 N -1.97 3.21 0.14 1.61 1.70 -1.26 -5.03 118.95 117.34 2xhm s ARG 332 Ca 0.28 1.58 -0.20 0.00 -0.47 0.00 0.00 55.73 56.92 2xhm s ARG 332 Cb 0.13 -1.99 -0.07 0.00 -0.57 0.00 0.00 34.95 32.45 2xhm s ARG 332 CO 0.22 -0.96 0.65 -0.51 -1.08 0.00 0.00 175.30 173.62 2xhm s ASP 333 N -1.93 7.11 0.23 -2.89 -0.00 -1.26 -5.02 116.67 112.91 2xhm s ASP 333 Ca 0.72 1.36 -0.16 0.00 -0.00 0.00 0.00 52.55 54.47 2xhm s ASP 333 Cb -0.24 -2.40 0.01 0.00 -0.00 0.00 0.00 42.92 40.30 2xhm s ASP 333 CO 0.30 0.18 0.53 -1.48 -0.00 0.00 0.00 175.17 174.71 2xhm s LEU 334 N -1.42 0.15 -0.32 1.23 2.34 -1.26 -0.70 118.68 118.70 2xhm s LEU 334 Ca 0.35 -0.72 -0.22 0.00 0.06 0.00 0.00 54.13 53.59 2xhm s LEU 334 Cb -0.19 2.06 0.00 0.00 -0.56 0.00 0.00 46.19 47.50 2xhm s LEU 334 CO 0.21 -1.15 0.74 -0.69 -1.06 0.00 0.00 176.35 174.40 2xhm s VAL 335 N -3.95 4.82 -0.96 1.48 1.01 -0.46 -4.81 120.40 117.53 2xhm s VAL 335 Ca 0.16 0.99 0.23 0.00 0.00 0.00 0.00 61.98 63.36 2xhm s VAL 335 Cb -0.02 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 2xhm s VAL 335 CO 0.05 -0.27 1.16 0.00 0.00 0.00 0.00 175.10 176.03 2xhm s HIS 337 N -3.02 1.72 0.21 0.00 5.65 -1.26 -4.11 115.29 114.48 2xhm s HIS 337 Ca 0.09 -0.20 -0.32 0.00 0.25 0.00 0.00 55.06 54.88 2xhm s HIS 337 Cb 0.17 -4.18 -0.14 0.00 -1.18 0.00 0.00 32.58 27.25 2xhm s HIS 337 CO 0.78 -5.07 1.41 0.00 -0.65 0.00 0.00 174.74 171.21 2xhm n ALA 338 N 6.72 0.87 -2.92 1.58 0.00 -1.26 -4.91 120.51 120.59 2xhm n ALA 338 Ca 0.19 0.43 -0.11 0.00 0.00 0.00 0.00 53.44 53.95 2xhm n ALA 338 Cb 0.40 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 17.51 2xhm n ALA 338 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2xhm s SER 339 N 0.38 0.01 -0.01 0.00 1.04 -0.43 -5.03 113.70 109.67 2xhm s SER 339 Ca 0.71 -0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.91 2xhm s SER 339 Cb -0.69 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.69 2xhm s SER 339 CO 0.48 -0.53 -0.25 0.00 0.98 0.00 0.00 173.24 173.91 2xhm s ALA 340 N -2.36 2.08 -0.07 5.32 0.00 -1.26 -1.28 121.76 124.19 2xhm s ALA 340 Ca -0.07 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.82 2xhm s ALA 340 Cb -0.02 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.60 2xhm s ALA 340 CO -0.03 0.51 -0.11 -1.58 0.00 0.00 0.00 175.76 174.55 2xhm s TRP 341 N -0.62 1.41 -0.24 0.00 0.52 0.13 -5.00 118.94 115.14 2xhm s TRP 341 Ca 0.10 -0.53 -0.06 0.00 0.02 0.00 0.00 56.10 55.63 2xhm s TRP 341 Cb -0.10 -1.05 -0.02 0.00 -1.15 0.00 0.00 33.47 31.15 2xhm s TRP 341 CO -0.00 -0.29 0.02 0.34 0.02 0.00 0.00 176.95 177.03 2xhm s ASP 342 N 0.78 4.76 0.00 2.95 3.68 -1.26 -1.44 116.67 126.14 2xhm s ASP 342 Ca -0.13 -0.30 0.24 0.00 2.13 0.00 0.00 52.55 54.49 2xhm s ASP 342 Cb -0.15 -1.84 0.61 0.00 -1.45 0.00 0.00 42.92 40.09 2xhm s ASP 342 CO 0.02 -0.03 1.49 0.49 0.13 0.00 0.00 175.17 177.28 2xhm n PHE 343 N 4.87 0.20 -1.59 -5.34 3.72 -0.82 -4.96 117.46 113.54 2xhm n PHE 343 Ca -0.17 -0.10 -0.14 0.00 -0.05 0.00 0.00 57.45 56.99 2xhm n PHE 343 Cb 0.51 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.00 2xhm n PHE 343 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2xhm n TYR 344 N 0.80 -0.14 0.00 1.38 4.02 -1.26 -4.23 117.16 117.73 2xhm n TYR 344 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 2xhm n TYR 344 Cb 0.46 -2.62 0.00 0.00 -0.02 0.00 0.00 39.34 37.16 2xhm n TYR 344 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2xhm n LEU 345 N -1.70 0.00 -4.17 7.72 4.77 -1.26 -4.70 117.00 117.67 2xhm n LEU 345 Ca -0.15 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.50 2xhm n LEU 345 Cb 0.50 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.43 2xhm n LEU 345 CO 0.21 0.00 -0.52 -0.89 -1.33 0.00 0.00 177.39 174.86 2xhm s THR 346 N 4.13 2.19 0.00 -5.08 2.01 -1.26 -4.81 115.64 112.82 2xhm s THR 346 Ca 0.00 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2xhm s THR 346 Cb 0.00 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.61 2xhm s THR 346 CO 0.00 0.54 0.00 0.47 -0.69 0.00 0.00 174.62 174.94 2xhm n ASP 347 N 4.32 -3.51 -4.43 3.53 10.43 -1.26 -4.93 116.55 120.70 2xhm n ASP 347 Ca -0.20 0.00 -0.44 0.00 2.57 0.00 0.00 54.79 56.72 2xhm n ASP 347 Cb 0.51 -2.31 -0.03 0.00 1.84 0.00 0.00 41.12 41.14 2xhm n ASP 347 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2xhm s ASP 348 N -2.10 6.61 0.02 -2.24 -1.08 -1.26 -4.45 116.67 112.17 2xhm s ASP 348 Ca 0.00 -2.05 0.03 0.00 -0.52 0.00 0.00 52.55 50.01 2xhm s ASP 348 Cb 0.00 -2.37 -0.01 0.00 -1.46 0.00 0.00 42.92 39.07 2xhm s ASP 348 CO 0.00 -1.02 -0.10 0.68 0.52 0.00 0.00 175.17 175.24 2xhm s VAL 349 N 2.43 0.81 0.04 1.11 -7.23 -1.26 -1.94 120.40 114.36 2xhm s VAL 349 Ca 0.29 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.72 2xhm s VAL 349 Cb -0.07 -0.73 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 2xhm s VAL 349 CO -0.08 0.04 0.07 -0.13 -0.31 0.00 0.00 175.10 174.69 2xhm s ARG 350 N -0.75 0.59 -0.01 4.82 0.52 -0.52 -3.57 118.95 120.02 2xhm s ARG 350 Ca 0.01 -0.84 0.07 0.00 -0.52 0.00 0.00 55.73 54.45 2xhm s ARG 350 Cb -0.06 0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 2xhm s ARG 350 CO 0.00 -0.14 -0.23 0.42 0.02 0.00 0.00 175.30 175.37 2xhm s ILE 351 N -2.83 1.81 -0.26 1.52 1.01 -1.26 0.17 121.20 121.37 2xhm s ILE 351 Ca -0.03 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 2xhm s ILE 351 Cb 0.00 -1.51 0.04 0.00 0.01 0.00 0.00 42.46 41.00 2xhm s ILE 351 CO -0.06 0.49 -0.07 -0.75 0.00 0.00 0.00 174.94 174.56 2xhm s LYS 352 N -0.59 2.65 -0.05 2.79 2.20 -0.41 -1.24 119.74 125.10 2xhm s LYS 352 Ca 0.09 -1.10 -0.02 0.00 -0.36 0.00 0.00 55.97 54.58 2xhm s LYS 352 Cb -0.09 -2.98 0.03 0.00 -1.51 0.00 0.00 37.83 33.28 2xhm s LYS 352 CO -0.01 -0.46 0.11 -1.14 -0.36 0.00 0.00 175.35 173.49 2xhm s GLN 353 N 1.27 0.07 -1.39 4.03 0.74 0.25 -1.32 119.66 123.31 2xhm s GLN 353 Ca -0.02 0.28 -0.10 0.00 0.05 0.00 0.00 55.36 55.57 2xhm s GLN 353 Cb -0.18 -0.14 0.08 0.00 1.10 0.00 0.00 33.01 33.87 2xhm s GLN 353 CO -0.04 -0.13 2.23 0.00 -0.55 0.00 0.00 175.29 176.79 2xhm s THR 355 N 1.18 2.31 0.23 0.00 2.01 -1.21 -4.71 115.64 115.46 2xhm s THR 355 Ca 0.49 0.28 0.12 0.00 0.31 0.00 0.00 61.69 62.88 2xhm s THR 355 Cb 0.14 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 2xhm s THR 355 CO -0.05 0.05 -0.22 -0.13 -0.69 0.00 0.00 174.62 173.58 2xhm s ARG 356 N -0.88 1.59 -1.20 4.92 0.52 -1.26 -4.74 118.95 117.90 2xhm s ARG 356 Ca 0.59 -1.64 -0.16 0.00 -0.52 0.00 0.00 55.73 54.00 2xhm s ARG 356 Cb -0.45 -1.79 0.14 0.00 0.52 0.00 0.00 34.95 33.36 2xhm s ARG 356 CO 0.50 0.36 1.48 0.08 0.02 0.00 0.00 175.30 177.74 2xhm s VAL 357 N -2.09 4.72 0.12 3.52 1.01 -1.26 -4.70 120.40 121.71 2xhm s VAL 357 Ca 0.25 -2.27 -0.01 0.00 0.00 0.00 0.00 61.98 59.96 2xhm s VAL 357 Cb -0.06 -4.98 -0.04 0.00 0.00 0.00 0.00 36.38 31.29 2xhm s VAL 357 CO 0.12 -1.73 0.03 0.42 0.00 0.00 0.00 175.10 173.94 2xhm s THR 358 N 2.52 0.19 0.11 3.92 -4.23 -1.26 -4.75 115.64 112.14 2xhm s THR 358 Ca 0.45 -1.90 -0.20 0.00 -1.18 0.00 0.00 61.69 58.86 2xhm s THR 358 Cb -0.01 -1.94 -0.08 0.00 1.34 0.00 0.00 72.50 71.81 2xhm s THR 358 CO 0.01 -0.58 1.74 -0.61 -0.54 0.00 0.00 174.62 174.64 2xhm h GLN 359 N 2.91 0.25 -0.96 3.99 4.15 -1.90 -1.70 115.11 121.85 2xhm h GLN 359 Ca -0.35 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.05 2xhm h GLN 359 Cb 1.19 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.78 2xhm h GLN 359 CO 0.61 0.20 0.61 0.22 -1.93 0.00 0.00 178.83 178.53 2xhm h ASP 360 N 0.22 1.12 0.20 -0.69 3.58 -1.97 -1.87 116.42 117.01 2xhm h ASP 360 Ca 0.07 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 2xhm h ASP 360 Cb 0.01 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 2xhm h ASP 360 CO -0.01 0.84 -0.28 1.56 -2.88 0.00 0.00 179.24 178.46 2xhm h GLN 361 N 1.31 0.14 -0.53 0.28 1.08 -1.80 -1.03 115.11 114.56 2xhm h GLN 361 Ca 0.35 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.44 2xhm h GLN 361 Cb -0.11 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 2xhm h GLN 361 CO -0.07 0.42 0.09 1.25 -0.95 0.00 0.00 178.83 179.56 2xhm h LEU 362 N 0.13 0.80 -0.37 1.46 5.85 -0.50 0.14 115.31 122.81 2xhm h LEU 362 Ca 0.02 -0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 2xhm h LEU 362 Cb 0.57 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2xhm h LEU 362 CO 0.04 0.81 -0.26 -0.26 -0.34 0.00 0.00 178.44 178.43 2xhm h PHE 363 N 0.80 0.98 -0.61 1.25 0.04 -1.01 -2.91 116.94 115.49 2xhm h PHE 363 Ca 0.17 -0.27 0.01 0.00 2.80 0.00 0.00 57.97 60.68 2xhm h PHE 363 Cb 0.36 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 2xhm h PHE 363 CO 0.02 1.05 0.40 1.15 -0.60 0.00 0.00 178.31 180.32 2xhm h THR 364 N 0.64 1.14 -0.58 -1.55 2.02 -0.86 0.62 112.91 114.33 2xhm h THR 364 Ca 0.07 -0.28 0.08 0.00 0.77 0.00 0.00 66.41 67.06 2xhm h THR 364 Cb 0.83 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 2xhm h THR 364 CO 0.07 0.15 0.25 0.58 0.37 0.00 0.00 175.52 176.93 2xhm h VAL 365 N 0.81 0.83 -0.23 3.16 2.07 -0.97 -0.28 116.25 121.64 2xhm h VAL 365 Ca 0.23 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 2xhm h VAL 365 Cb -0.07 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2xhm h VAL 365 CO -0.06 0.08 -0.26 0.45 0.02 0.00 0.00 177.57 177.80 2xhm h HIS 366 N 0.45 0.49 0.05 1.57 -0.00 -1.21 -1.06 115.15 115.44 2xhm h HIS 366 Ca 0.28 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.55 2xhm h HIS 366 Cb 0.30 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 2xhm h HIS 366 CO -0.14 0.66 -0.02 1.25 -0.00 0.00 0.00 177.93 179.68 2xhm h HIS 367 N 0.39 -0.06 -0.67 2.45 6.17 0.04 -1.71 115.15 121.75 2xhm h HIS 367 Ca 0.06 -0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.07 2xhm h HIS 367 Cb 0.67 0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.59 2xhm h HIS 367 CO 0.02 0.03 0.16 0.93 0.71 0.00 0.00 177.93 179.77 2xhm h GLU 368 N -0.13 1.06 0.00 5.26 4.39 -0.92 -2.36 114.58 121.88 2xhm h GLU 368 Ca -0.01 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.42 2xhm h GLU 368 Cb 0.11 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2xhm h GLU 368 CO 0.01 0.94 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.59 2xhm h LEU 369 N 1.01 0.00 -0.70 1.33 3.38 -1.12 -2.08 115.31 117.12 2xhm h LEU 369 Ca 0.21 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 2xhm h LEU 369 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2xhm h LEU 369 CO 0.00 0.14 0.07 1.23 0.09 0.00 0.00 178.44 179.97 2xhm h GLY 370 N 1.57 1.15 0.87 0.83 0.00 -0.76 0.22 103.07 106.96 2xhm h GLY 370 Ca -0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 2xhm h GLY 370 CO 0.02 0.73 0.02 0.45 0.00 0.00 0.00 176.54 177.76 2xhm h HIS 371 N 0.99 0.08 -0.54 5.60 3.86 -1.29 -2.48 115.15 121.37 2xhm h HIS 371 Ca 0.19 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.46 2xhm h HIS 371 Cb 0.48 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.87 2xhm h HIS 371 CO 0.03 0.19 0.22 0.82 0.86 0.00 0.00 177.93 180.05 2xhm h ILE 372 N -0.06 0.86 -0.62 2.45 1.08 -1.27 -1.54 117.51 118.41 2xhm h ILE 372 Ca 0.02 -0.15 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 2xhm h ILE 372 Cb 0.14 0.39 -0.04 0.00 -3.07 0.00 0.00 36.82 34.24 2xhm h ILE 372 CO -0.00 0.08 0.38 -0.61 -0.69 0.00 0.00 178.15 177.30 2xhm h GLN 373 N 0.43 0.71 -0.63 2.37 5.75 -0.90 -1.84 115.11 121.01 2xhm h GLN 373 Ca 0.26 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.74 2xhm h GLN 373 Cb 0.25 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 2xhm h GLN 373 CO -0.23 0.47 0.39 -0.92 -2.65 0.00 0.00 178.83 175.89 2xhm h TYR 374 N 0.73 0.74 -0.37 3.99 -0.00 -0.91 -0.35 116.97 120.80 2xhm h TYR 374 Ca 0.26 0.02 0.06 0.00 -0.00 0.00 0.00 58.73 59.07 2xhm h TYR 374 Cb 0.05 -0.24 -0.05 0.00 -0.00 0.00 0.00 36.73 36.48 2xhm h TYR 374 CO -0.06 0.42 0.04 0.74 -0.00 0.00 0.00 178.16 179.31 2xhm h PHE 375 N 0.78 0.06 -0.28 -3.82 0.04 -0.67 -2.30 116.94 110.74 2xhm h PHE 375 Ca 0.25 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.94 2xhm h PHE 375 Cb 0.01 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 2xhm h PHE 375 CO -0.05 -0.02 -0.28 -0.07 -0.60 0.00 0.00 178.31 177.29 2xhm h LEU 376 N 0.15 0.58 -0.95 1.54 3.38 -0.89 -2.09 115.31 117.04 2xhm h LEU 376 Ca 0.18 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2xhm h LEU 376 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2xhm h LEU 376 CO -0.26 0.83 -0.28 1.56 0.09 0.00 0.00 178.44 180.38 2xhm h GLN 377 N 0.49 0.43 -0.34 1.13 1.08 -0.72 -3.28 115.11 113.90 2xhm h GLN 377 Ca 0.07 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2xhm h GLN 377 Cb 0.73 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2xhm h GLN 377 CO 0.06 0.67 0.00 2.48 -0.95 0.00 0.00 178.83 181.09 2xhm n TYR 378 N -4.11 0.48 0.29 2.96 0.18 -0.90 -4.18 117.16 111.88 2xhm n TYR 378 Ca -0.01 -0.52 0.10 0.00 1.88 0.00 0.00 57.90 59.36 2xhm n TYR 378 Cb 0.42 -0.04 0.48 0.00 -0.38 0.00 0.00 39.34 39.81 2xhm n TYR 378 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2xhm n GLN 379 N 0.46 0.14 0.17 -3.48 10.64 -0.79 -1.35 117.38 123.17 2xhm n GLN 379 Ca 0.12 0.49 0.12 0.00 -1.83 0.00 0.00 57.00 55.90 2xhm n GLN 379 Cb 0.44 -1.85 0.14 0.00 -0.86 0.00 0.00 30.24 28.12 2xhm n GLN 379 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.06 176.35 2xhm h HIS 380 N 0.00 0.00 -4.19 2.61 2.07 -1.85 -3.47 115.15 110.32 2xhm h HIS 380 Ca 0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 2xhm h HIS 380 Cb 0.19 0.00 0.13 0.00 2.57 0.00 0.00 27.41 30.31 2xhm h HIS 380 CO 0.00 0.00 0.38 -0.65 -3.07 0.00 0.00 177.93 174.59 2xhm s GLN 381 N -3.24 2.41 0.58 5.12 -1.52 -0.46 -5.00 119.66 117.55 2xhm s GLN 381 Ca 0.05 1.59 -0.20 0.00 -1.95 0.00 0.00 55.36 54.85 2xhm s GLN 381 Cb 0.07 -1.88 -0.04 0.00 -0.22 0.00 0.00 33.01 30.94 2xhm s GLN 381 CO 0.70 -1.59 1.15 -0.35 -0.25 0.00 0.00 175.29 174.95 2xhm n PRO 382 N -2.62 1.20 -0.32 2.91 -0.04 -1.26 -4.75 135.00 130.12 2xhm n PRO 382 Ca 0.12 0.45 0.05 0.00 -0.04 0.00 0.00 63.50 64.08 2xhm n PRO 382 Cb 0.51 -2.35 0.13 0.00 -0.04 0.00 0.00 33.50 31.75 2xhm n PRO 382 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2xhm h PHE 383 N 0.84 -0.45 0.00 0.54 3.57 -1.95 0.10 116.94 119.59 2xhm h PHE 383 Ca -0.49 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2xhm h PHE 383 Cb 1.34 0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.42 2xhm h PHE 383 CO 0.41 -0.39 0.00 -0.39 -2.23 0.00 0.00 178.31 175.71 2xhm h VAL 384 N 0.00 0.00 -0.02 1.41 -1.51 -1.90 -0.97 116.25 113.26 2xhm h VAL 384 Ca 0.44 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 2xhm h VAL 384 Cb 0.69 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2xhm h VAL 384 CO -0.93 0.00 -0.13 -1.22 -1.23 0.00 0.00 177.57 174.06 2xhm n TYR 385 N -2.92 0.00 -2.10 5.19 4.01 0.34 -4.69 117.16 117.00 2xhm n TYR 385 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 2xhm n TYR 385 Cb 0.17 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 2xhm n TYR 385 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2xhm n ARG 386 N 0.49 3.47 -3.79 -0.72 1.74 -0.37 -1.01 116.66 116.48 2xhm n ARG 386 Ca 0.14 -3.21 -0.04 0.00 -0.77 0.00 0.00 57.85 53.97 2xhm n ARG 386 Cb 0.48 -3.00 -0.01 0.00 -1.02 0.00 0.00 32.46 28.90 2xhm n ARG 386 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2xhm s THR 387 N 1.14 0.00 0.69 0.55 -1.32 -1.26 -5.01 115.64 110.43 2xhm s THR 387 Ca 0.44 -0.71 -0.15 0.00 -1.21 0.00 0.00 61.69 60.06 2xhm s THR 387 Cb 0.12 -2.16 0.02 0.00 -1.51 0.00 0.00 72.50 68.97 2xhm s THR 387 CO -0.03 0.00 1.16 -0.83 -2.21 0.00 0.00 174.62 172.71 2xhm s GLY 388 N -3.01 2.27 0.21 6.08 0.00 -1.26 -2.49 107.32 109.11 2xhm s GLY 388 Ca 0.14 0.73 -0.09 0.00 0.00 0.00 0.00 44.72 45.50 2xhm s GLY 388 CO 0.04 1.11 1.78 0.00 0.00 0.00 0.00 173.10 176.03 2xhm h ALA 389 N -0.12 0.86 -2.62 3.20 0.00 -1.92 -3.39 119.26 115.29 2xhm h ALA 389 Ca -0.47 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 2xhm h ALA 389 Cb 1.27 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 2xhm h ALA 389 CO 0.52 -0.05 -0.44 0.54 0.00 0.00 0.00 179.25 179.82 2xhm s ASN 390 N -5.51 0.10 0.54 0.00 2.20 -1.26 -4.18 114.94 106.83 2xhm s ASN 390 Ca -0.13 -1.11 0.23 0.00 -0.94 0.00 0.00 52.86 50.91 2xhm s ASN 390 Cb 0.16 0.42 1.40 0.00 -2.00 0.00 0.00 41.25 41.23 2xhm s ASN 390 CO 0.75 -0.89 2.07 -0.65 -2.94 0.00 0.00 177.10 175.45 2xhm h PRO 391 N 2.58 0.00 -0.74 3.55 0.11 -1.83 -1.39 132.00 134.27 2xhm h PRO 391 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 2xhm h PRO 391 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2xhm h PRO 391 CO 0.49 0.00 0.36 0.78 -0.21 0.00 0.00 178.00 179.43 2xhm h GLY 392 N 0.00 1.13 0.87 -0.55 0.00 -1.91 -3.00 103.07 99.61 2xhm h GLY 392 Ca 0.13 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 46.95 2xhm h GLY 392 CO -0.00 0.52 0.51 0.74 0.00 0.00 0.00 176.54 178.30 2xhm h PHE 393 N 1.05 0.95 -0.65 5.60 0.05 -1.57 -2.05 116.94 120.33 2xhm h PHE 393 Ca 0.26 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 62.01 2xhm h PHE 393 Cb 0.09 -0.31 -0.03 0.00 2.00 0.00 0.00 35.95 37.70 2xhm h PHE 393 CO 0.01 0.54 0.16 1.25 -0.18 0.00 0.00 178.31 180.09 2xhm h HIS 394 N 0.98 1.07 0.00 -0.55 2.76 -1.56 -2.56 115.15 115.29 2xhm h HIS 394 Ca 0.32 -0.12 -0.07 0.00 -2.20 0.00 0.00 60.37 58.30 2xhm h HIS 394 Cb 0.02 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.66 2xhm h HIS 394 CO -0.03 0.88 -0.32 0.93 -1.30 0.00 0.00 177.93 178.08 2xhm h GLU 395 N 0.98 0.00 0.04 5.26 4.39 -1.46 -3.32 114.58 120.47 2xhm h GLU 395 Ca 0.21 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.69 2xhm h GLU 395 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2xhm h GLU 395 CO 0.00 0.32 -1.01 0.00 -1.16 0.00 0.00 179.01 177.17 2xhm h ALA 396 N 1.68 0.36 0.12 3.43 0.00 -0.95 -3.38 119.26 120.52 2xhm h ALA 396 Ca -0.00 -0.81 0.01 0.00 0.00 0.00 0.00 54.91 54.11 2xhm h ALA 396 Cb 0.97 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2xhm h ALA 396 CO 0.04 1.00 -0.51 0.28 0.00 0.00 0.00 179.25 180.06 2xhm h VAL 397 N 0.08 0.00 -0.15 0.00 2.07 -1.63 -1.76 116.25 114.86 2xhm h VAL 397 Ca -0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2xhm h VAL 397 Cb 1.69 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2xhm h VAL 397 CO 0.15 0.00 -0.04 1.23 0.02 0.00 0.00 177.57 178.93 2xhm h GLY 398 N -0.73 0.24 1.84 2.17 0.00 -1.75 -2.81 103.07 102.03 2xhm h GLY 398 Ca -0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 2xhm h GLY 398 CO -0.27 0.12 -0.52 -0.55 0.00 0.00 0.00 176.54 175.31 2xhm h ASP 399 N 0.22 0.19 -0.52 0.19 5.19 -1.57 -0.80 116.42 119.32 2xhm h ASP 399 Ca 0.05 -0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2xhm h ASP 399 Cb 0.22 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 2xhm h ASP 399 CO 0.01 0.68 0.32 0.58 -3.12 0.00 0.00 179.24 177.71 2xhm h VAL 400 N 0.14 1.06 -0.29 -1.35 2.07 -1.07 0.32 116.25 117.14 2xhm h VAL 400 Ca 0.00 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2xhm h VAL 400 Cb 0.97 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2xhm h VAL 400 CO 0.08 0.12 0.05 -0.07 0.02 0.00 0.00 177.57 177.76 2xhm h LEU 401 N 0.63 0.46 -1.40 2.57 -0.00 -1.54 -3.05 115.31 112.98 2xhm h LEU 401 Ca 0.21 -0.26 0.05 0.00 -0.00 0.00 0.00 57.88 57.88 2xhm h LEU 401 Cb 0.01 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 40.51 2xhm h LEU 401 CO -0.09 0.60 0.45 0.28 -0.00 0.00 0.00 178.44 179.68 2xhm h SER 402 N 0.29 0.65 -0.63 -0.43 0.02 -0.84 -0.41 113.55 112.20 2xhm h SER 402 Ca 0.09 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2xhm h SER 402 Cb 0.34 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 2xhm h SER 402 CO 0.01 0.44 0.39 -0.07 -1.14 0.00 0.00 176.83 176.45 2xhm h LEU 403 N 0.75 0.65 -0.18 5.07 3.38 -0.83 -1.24 115.31 122.90 2xhm h LEU 403 Ca 0.28 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.04 2xhm h LEU 403 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2xhm h LEU 403 CO -0.09 0.45 -0.95 0.77 0.09 0.00 0.00 178.44 178.71 2xhm h SER 404 N 0.78 0.35 -0.08 -0.43 4.64 -1.30 -3.13 113.55 114.38 2xhm h SER 404 Ca 0.25 -0.30 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 2xhm h SER 404 Cb 0.01 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 2xhm h SER 404 CO -0.10 1.12 -0.03 0.58 -0.87 0.00 0.00 176.83 177.54 2xhm h VAL 405 N 0.13 1.14 0.00 0.95 2.07 -0.92 -2.50 116.25 117.12 2xhm h VAL 405 Ca -0.07 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2xhm h VAL 405 Cb 1.60 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2xhm h VAL 405 CO 0.15 0.18 0.00 0.77 0.02 0.00 0.00 177.57 178.69 2xhm h SER 406 N 0.27 0.00 -4.01 0.57 4.64 -1.18 -3.37 113.55 110.48 2xhm h SER 406 Ca 0.06 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.86 2xhm h SER 406 Cb 0.23 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.40 2xhm h SER 406 CO 0.01 0.00 0.53 0.42 -0.87 0.00 0.00 176.83 176.92 2xhm s THR 407 N -3.30 2.79 0.34 2.95 -4.23 -0.94 -4.90 115.64 108.35 2xhm s THR 407 Ca 0.06 0.60 0.05 0.00 -1.18 0.00 0.00 61.69 61.23 2xhm s THR 407 Cb 0.10 -3.31 0.30 0.00 1.34 0.00 0.00 72.50 70.92 2xhm s THR 407 CO 0.51 0.00 1.92 -0.65 -0.54 0.00 0.00 174.62 175.86 2xhm h PRO 408 N 1.97 0.79 -0.34 3.99 0.11 -1.89 -1.81 132.00 134.82 2xhm h PRO 408 Ca -0.50 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.63 2xhm h PRO 408 Cb 1.26 -0.18 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 2xhm h PRO 408 CO 0.60 0.52 -0.37 -0.22 -0.21 0.00 0.00 178.00 178.31 2xhm h LYS 409 N 0.81 -0.32 -0.32 1.05 3.64 -1.91 -1.40 116.57 118.12 2xhm h LYS 409 Ca 0.38 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.62 2xhm h LYS 409 Cb 0.40 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2xhm h LYS 409 CO -0.15 -0.21 -0.41 1.25 -2.27 0.00 0.00 179.45 177.66 2xhm h HIS 410 N -0.33 1.02 0.00 1.91 2.76 -1.68 -3.00 115.15 115.84 2xhm h HIS 410 Ca 0.14 -0.33 -0.06 0.00 -2.20 0.00 0.00 60.37 57.91 2xhm h HIS 410 Cb 0.57 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2xhm h HIS 410 CO -0.55 1.14 -0.30 -0.07 -1.30 0.00 0.00 177.93 176.85 2xhm h LEU 411 N 0.62 0.00 -0.31 0.26 3.38 -1.13 -1.93 115.31 116.20 2xhm h LEU 411 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2xhm h LEU 411 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2xhm h LEU 411 CO 0.10 0.30 -0.59 -0.33 0.09 0.00 0.00 178.44 178.01 2xhm h GLU 412 N 0.00 0.82 -0.98 1.13 5.08 -1.29 -0.46 114.58 118.89 2xhm h GLU 412 Ca -0.00 -0.54 0.08 0.00 -1.00 0.00 0.00 59.36 57.90 2xhm h GLU 412 Cb 0.69 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 2xhm h GLU 412 CO 0.04 1.17 0.63 0.87 -1.00 0.00 0.00 179.01 180.71 2xhm h LYS 413 N 0.62 1.04 -0.64 2.33 1.57 -1.21 -2.53 116.57 117.75 2xhm h LYS 413 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2xhm h LYS 413 Cb 1.19 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2xhm h LYS 413 CO 0.13 0.69 0.00 0.44 -0.57 0.00 0.00 179.45 180.13 2xhm n ILE 414 N -4.53 1.36 -1.24 1.86 -5.35 -0.97 -4.93 119.36 105.54 2xhm n ILE 414 Ca 0.16 -0.96 -0.08 0.00 -0.27 0.00 0.00 62.75 61.60 2xhm n ILE 414 Cb 0.25 0.17 -0.04 0.00 -1.74 0.00 0.00 39.64 38.28 2xhm n ILE 414 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2xhm n GLY 415 N 1.17 1.00 0.09 3.28 0.00 -0.95 -4.87 105.19 104.90 2xhm n GLY 415 Ca 0.22 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.86 2xhm n GLY 415 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xhm n LEU 416 N -0.96 0.69 -4.19 0.99 4.77 -0.28 -4.79 117.00 113.23 2xhm n LEU 416 Ca -0.08 0.29 -0.34 0.00 -0.03 0.00 0.00 56.01 55.84 2xhm n LEU 416 Cb 0.33 0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 2xhm n LEU 416 CO 0.13 0.06 -0.41 -0.22 -1.33 0.00 0.00 177.39 175.62 2xhm s LEU 417 N -5.48 3.18 0.04 2.23 2.96 -0.62 -4.79 118.68 116.20 2xhm s LEU 417 Ca -0.03 -0.89 0.07 0.00 -0.22 0.00 0.00 54.13 53.05 2xhm s LEU 417 Cb 0.09 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 2xhm s LEU 417 CO 0.82 -0.13 -0.16 -0.54 -1.32 0.00 0.00 176.35 175.02 2xhm s LYS 418 N 1.31 2.11 -1.50 1.98 1.02 -1.26 -4.33 119.74 119.07 2xhm s LYS 418 Ca -0.00 -0.96 -0.12 0.00 0.02 0.00 0.00 55.97 54.90 2xhm s LYS 418 Cb -0.17 -2.22 0.07 0.00 -0.52 0.00 0.00 37.83 34.99 2xhm s LYS 418 CO -0.05 0.54 0.96 -0.25 -0.92 0.00 0.00 175.35 175.64 2xhm n ASP 419 N 1.48 -4.47 -4.70 2.83 10.43 -1.26 -4.95 116.55 115.90 2xhm n ASP 419 Ca -0.16 -0.78 -0.38 0.00 2.57 0.00 0.00 54.79 56.05 2xhm n ASP 419 Cb 0.52 -3.94 -0.07 0.00 1.84 0.00 0.00 41.12 39.47 2xhm n ASP 419 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2xhm s TYR 420 N -3.34 3.45 -0.27 1.24 5.04 -1.26 -5.06 117.35 117.15 2xhm s TYR 420 Ca 0.59 0.74 -0.04 0.00 -2.44 0.00 0.00 57.07 55.91 2xhm s TYR 420 Cb -0.29 -2.51 0.01 0.00 0.35 0.00 0.00 41.96 39.52 2xhm s TYR 420 CO 0.83 0.11 0.01 0.08 -1.34 0.00 0.00 175.55 175.24 2xhm s VAL 421 N 0.86 3.49 -1.30 3.14 1.01 -1.26 -5.04 120.40 121.31 2xhm s VAL 421 Ca 0.22 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 2xhm s VAL 421 Cb -0.14 -2.76 0.16 0.00 0.00 0.00 0.00 36.38 33.63 2xhm s VAL 421 CO 0.08 0.18 1.92 -1.14 0.00 0.00 0.00 175.10 176.14 2xhm n ARG 422 N 4.79 3.60 -2.27 2.72 0.63 -1.26 -4.73 116.66 120.13 2xhm n ARG 422 Ca -0.16 -3.45 -0.27 0.00 -0.92 0.00 0.00 57.85 53.05 2xhm n ARG 422 Cb 0.48 -2.94 0.17 0.00 0.45 0.00 0.00 32.46 30.62 2xhm n ARG 422 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2xhm s ASP 423 N 0.99 3.48 0.33 6.15 3.84 -1.26 -4.86 116.67 125.34 2xhm s ASP 423 Ca 0.40 -0.17 0.05 0.00 -0.00 0.00 0.00 52.55 52.84 2xhm s ASP 423 Cb 0.10 0.06 0.70 0.00 -1.38 0.00 0.00 42.92 42.41 2xhm s ASP 423 CO -0.00 -2.47 1.89 0.44 -0.00 0.00 0.00 175.17 175.02 2xhm h ASP 424 N -1.21 0.75 -0.06 2.11 3.45 -2.00 -1.58 116.42 117.89 2xhm h ASP 424 Ca -0.39 0.03 -0.15 0.00 0.43 0.00 0.00 57.03 56.94 2xhm h ASP 424 Cb 1.24 -0.13 0.01 0.00 -0.56 0.00 0.00 39.33 39.89 2xhm h ASP 424 CO 0.34 0.43 -0.55 -0.33 -1.57 0.00 0.00 179.24 177.56 2xhm h GLU 425 N 0.82 0.48 -0.60 3.56 5.08 -1.96 -2.60 114.58 119.36 2xhm h GLU 425 Ca 0.42 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2xhm h GLU 425 Cb 0.50 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2xhm h GLU 425 CO -0.19 1.07 0.36 0.00 -1.00 0.00 0.00 179.01 179.26 2xhm h ALA 426 N 0.41 1.50 -0.54 3.43 0.00 -1.79 -1.73 119.26 120.55 2xhm h ALA 426 Ca -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2xhm h ALA 426 Cb 1.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2xhm h ALA 426 CO 0.11 0.44 0.22 -0.09 0.00 0.00 0.00 179.25 179.93 2xhm h ARG 427 N 0.83 0.81 -0.61 0.00 2.43 -1.25 -1.69 114.38 114.91 2xhm h ARG 427 Ca 0.22 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2xhm h ARG 427 Cb -0.03 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 2xhm h ARG 427 CO -0.04 0.70 0.33 0.82 -1.51 0.00 0.00 179.97 180.27 2xhm h ILE 428 N 0.73 1.20 -0.52 1.20 1.08 -1.06 -0.20 117.51 119.94 2xhm h ILE 428 Ca 0.18 -0.51 0.09 0.00 -0.39 0.00 0.00 64.86 64.23 2xhm h ILE 428 Cb 0.19 0.43 -0.07 0.00 -3.07 0.00 0.00 36.82 34.30 2xhm h ILE 428 CO -0.02 0.22 0.13 0.78 -0.69 0.00 0.00 178.15 178.58 2xhm h ASN 429 N 0.82 0.07 -0.28 1.72 -0.26 -1.08 0.70 115.58 117.27 2xhm h ASN 429 Ca 0.21 0.08 -0.11 0.00 -0.56 0.00 0.00 56.30 55.93 2xhm h ASN 429 Cb 0.06 0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2xhm h ASN 429 CO -0.03 0.06 -0.26 -0.61 -1.06 0.00 0.00 177.43 175.53 2xhm h GLN 430 N 0.28 0.66 -0.65 0.81 5.75 -1.00 -0.01 115.11 120.96 2xhm h GLN 430 Ca 0.26 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 2xhm h GLN 430 Cb 0.34 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 2xhm h GLN 430 CO -0.32 0.95 0.41 -0.07 -2.65 0.00 0.00 178.83 177.15 2xhm h LEU 431 N 0.40 0.76 -0.34 -2.39 3.38 -0.91 -0.93 115.31 115.28 2xhm h LEU 431 Ca 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2xhm h LEU 431 Cb 0.82 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2xhm h LEU 431 CO 0.06 0.57 0.13 0.15 0.09 0.00 0.00 178.44 179.45 2xhm h PHE 432 N 0.88 0.53 -0.56 1.13 3.04 -0.71 -0.65 116.94 120.59 2xhm h PHE 432 Ca 0.24 -0.04 0.08 0.00 3.98 0.00 0.00 57.97 62.22 2xhm h PHE 432 Cb -0.07 -0.16 -0.06 0.00 2.56 0.00 0.00 35.95 38.22 2xhm h PHE 432 CO -0.02 0.50 0.21 1.25 -2.02 0.00 0.00 178.31 178.23 2xhm h LEU 433 N 0.40 0.22 -0.32 0.59 5.85 -0.78 -0.17 115.31 121.10 2xhm h LEU 433 Ca 0.11 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2xhm h LEU 433 Cb 0.20 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2xhm h LEU 433 CO -0.01 0.14 0.16 0.74 -0.34 0.00 0.00 178.44 179.14 2xhm h THR 434 N 0.40 1.15 -0.59 1.05 2.02 -0.95 -2.89 112.91 113.09 2xhm h THR 434 Ca 0.28 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 67.07 2xhm h THR 434 Cb 0.31 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2xhm h THR 434 CO -0.27 0.15 0.39 0.00 0.37 0.00 0.00 175.52 176.16 2xhm h ALA 435 N 1.02 1.64 0.00 6.16 0.00 -0.56 0.25 119.26 127.76 2xhm h ALA 435 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2xhm h ALA 435 Cb 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2xhm h ALA 435 CO -0.02 0.31 -0.04 -0.07 0.00 0.00 0.00 179.25 179.43 2xhm h LEU 436 N 0.74 0.00 0.04 0.00 3.38 -0.83 -0.54 115.31 118.11 2xhm h LEU 436 Ca 0.23 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.82 2xhm h LEU 436 Cb 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2xhm h LEU 436 CO -0.06 0.04 -2.27 0.47 0.09 0.00 0.00 178.44 176.71 2xhm n ASP 437 N -3.78 1.75 -0.07 -0.43 10.43 -0.51 -0.79 116.55 123.14 2xhm n ASP 437 Ca -0.03 0.02 -0.22 0.00 2.57 0.00 0.00 54.79 57.14 2xhm n ASP 437 Cb 0.14 -0.38 -0.13 0.00 1.84 0.00 0.00 41.12 42.59 2xhm n ASP 437 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2xhm n LYS 438 N -3.26 0.68 -0.02 -1.24 4.76 0.75 -3.82 118.16 116.01 2xhm n LYS 438 Ca -0.38 0.28 -0.18 0.00 -2.87 0.00 0.00 58.31 55.16 2xhm n LYS 438 Cb 1.03 -1.64 -0.14 0.00 -1.84 0.00 0.00 35.03 32.45 2xhm n LYS 438 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2xhm h ILE 439 N -0.25 1.54 -0.99 -0.18 1.08 -1.32 -3.34 117.51 114.06 2xhm h ILE 439 Ca -0.49 -2.42 0.20 0.00 -0.39 0.00 0.00 64.86 61.76 2xhm h ILE 439 Cb 1.83 3.17 -0.10 0.00 -3.07 0.00 0.00 36.82 38.65 2xhm h ILE 439 CO -0.07 0.64 0.62 0.58 -0.69 0.00 0.00 178.15 179.23 2xhm h VAL 440 N -0.68 0.68 -0.04 1.67 2.07 -1.69 -1.87 116.25 116.40 2xhm h VAL 440 Ca -0.11 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2xhm h VAL 440 Cb 1.36 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2xhm h VAL 440 CO 0.05 0.12 -0.23 0.15 0.02 0.00 0.00 177.57 177.67 2xhm h PHE 441 N 0.64 0.07 0.30 1.57 3.57 -1.65 -3.34 116.94 118.09 2xhm h PHE 441 Ca 0.56 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 62.05 2xhm h PHE 441 Cb 1.04 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 2xhm h PHE 441 CO -0.00 0.30 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.04 2xhm h LEU 442 N 0.06 -0.70 -1.33 0.59 3.38 -1.46 0.50 115.31 116.35 2xhm h LEU 442 Ca 0.01 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2xhm h LEU 442 Cb 0.45 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2xhm h LEU 442 CO 0.03 -0.39 -0.12 1.55 0.09 0.00 0.00 178.44 179.60 2xhm h PRO 443 N -0.58 0.31 0.40 1.13 0.13 -1.75 -2.07 132.00 129.57 2xhm h PRO 443 Ca -0.01 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 2xhm h PRO 443 Cb 0.52 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 2xhm h PRO 443 CO -0.04 0.43 -0.32 0.35 -0.23 0.00 0.00 178.00 178.20 2xhm h PHE 444 N 0.29 -0.85 -0.95 1.56 3.57 -1.50 -2.12 116.94 116.95 2xhm h PHE 444 Ca 0.06 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 2xhm h PHE 444 Cb 0.39 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 2xhm h PHE 444 CO 0.01 -0.47 0.63 0.00 -2.23 0.00 0.00 178.31 176.25 2xhm h ALA 445 N -0.23 1.38 -0.68 2.41 0.00 -0.76 -2.14 119.26 119.24 2xhm h ALA 445 Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2xhm h ALA 445 Cb 0.62 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2xhm h ALA 445 CO -0.01 0.53 0.33 0.35 0.00 0.00 0.00 179.25 180.45 2xhm h PHE 446 N 1.21 0.98 0.00 0.00 3.04 -1.24 -3.02 116.94 117.92 2xhm h PHE 446 Ca 0.38 -0.05 -0.09 0.00 3.98 0.00 0.00 57.97 62.19 2xhm h PHE 446 Cb -0.01 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.18 2xhm h PHE 446 CO -0.00 0.73 -0.43 1.79 -2.02 0.00 0.00 178.31 178.38 2xhm h THR 447 N 0.95 1.26 -0.60 4.41 1.35 -0.73 -0.76 112.91 118.79 2xhm h THR 447 Ca 0.24 -1.49 0.04 0.00 -0.55 0.00 0.00 66.41 64.65 2xhm h THR 447 Cb 0.11 1.81 -0.05 0.00 -1.73 0.00 0.00 68.15 68.30 2xhm h THR 447 CO -0.03 0.42 0.34 0.24 -0.25 0.00 0.00 175.52 176.24 2xhm h MET 448 N 0.00 0.64 0.02 4.72 2.86 -1.33 -0.64 114.93 121.20 2xhm h MET 448 Ca -0.00 -0.04 -0.28 0.00 -2.06 0.00 0.00 59.70 57.31 2xhm h MET 448 Cb 0.78 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 2xhm h MET 448 CO 0.06 0.42 -1.57 -0.44 1.06 0.00 0.00 176.91 176.44 2xhm h ASP 449 N 0.66 0.07 -0.98 1.22 3.45 -1.59 -3.05 116.42 116.20 2xhm h ASP 449 Ca 0.26 -0.13 0.06 0.00 0.43 0.00 0.00 57.03 57.65 2xhm h ASP 449 Cb 0.10 -0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 38.79 2xhm h ASP 449 CO -0.14 1.11 0.64 0.11 -1.57 0.00 0.00 179.24 179.39 2xhm h LYS 450 N 0.01 1.14 0.61 3.56 1.57 -1.03 0.29 116.57 122.72 2xhm h LYS 450 Ca -0.24 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 2xhm h LYS 450 Cb 1.97 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 34.03 2xhm h LYS 450 CO 0.10 0.75 -0.30 -0.92 -0.57 0.00 0.00 179.45 178.51 2xhm h TYR 451 N 1.17 -0.77 -0.60 -1.35 3.20 -1.21 -1.88 116.97 115.54 2xhm h TYR 451 Ca 0.41 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.19 2xhm h TYR 451 Cb 0.12 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2xhm h TYR 451 CO -0.00 -0.44 0.08 0.00 -1.64 0.00 0.00 178.16 176.17 2xhm h ARG 452 N -0.96 0.98 -0.58 1.82 3.08 -1.39 -2.03 114.38 115.31 2xhm h ARG 452 Ca -0.08 -0.25 0.08 0.00 0.07 0.00 0.00 59.98 59.79 2xhm h ARG 452 Cb 0.67 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 2xhm h ARG 452 CO 0.14 0.92 0.25 -1.49 -1.07 0.00 0.00 179.97 178.71 2xhm h TRP 453 N 0.92 0.44 -0.21 3.04 6.55 -0.47 0.12 115.95 126.34 2xhm h TRP 453 Ca 0.18 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 60.00 2xhm h TRP 453 Cb 0.42 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.60 2xhm h TRP 453 CO 0.03 0.15 -0.09 0.66 -1.05 0.00 0.00 178.44 178.14 2xhm h SER 454 N 0.45 0.30 -0.03 -3.49 4.64 -0.65 0.62 113.55 115.40 2xhm h SER 454 Ca 0.28 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.44 2xhm h SER 454 Cb 0.29 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2xhm h SER 454 CO -0.25 0.43 -0.38 -0.07 -0.87 0.00 0.00 176.83 175.69 2xhm h LEU 455 N 0.31 0.39 -0.93 5.97 3.38 -0.91 -0.10 115.31 123.43 2xhm h LEU 455 Ca 0.06 -0.72 0.07 0.00 0.09 0.00 0.00 57.88 57.39 2xhm h LEU 455 Cb 0.36 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2xhm h LEU 455 CO 0.02 1.05 0.58 -0.26 0.09 0.00 0.00 178.44 179.92 2xhm h PHE 456 N -0.24 1.07 0.00 1.13 0.05 -0.46 -1.86 116.94 116.64 2xhm h PHE 456 Ca -0.04 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.78 2xhm h PHE 456 Cb 1.08 -0.35 0.00 0.00 2.00 0.00 0.00 35.95 38.68 2xhm h PHE 456 CO 0.15 0.53 0.00 0.54 -0.18 0.00 0.00 178.31 179.35 2xhm n ARG 457 N -4.58 0.52 -2.23 1.51 1.74 0.18 -4.56 116.66 109.23 2xhm n ARG 457 Ca 0.14 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.13 2xhm n ARG 457 Cb 0.20 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2xhm n ARG 457 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xhm n GLY 458 N 1.20 0.00 0.01 -0.13 0.00 -0.70 -4.94 105.19 100.64 2xhm n GLY 458 Ca 0.16 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.82 2xhm n GLY 458 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xhm n GLU 459 N -1.94 0.04 -4.53 1.61 1.02 -0.06 -4.81 120.64 111.97 2xhm n GLU 459 Ca -0.10 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.76 2xhm n GLU 459 Cb 0.58 -1.52 -0.17 0.00 -0.02 0.00 0.00 31.44 30.31 2xhm n GLU 459 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2xhm s VAL 460 N -3.02 1.54 0.41 2.62 1.01 -1.23 -5.03 120.40 116.70 2xhm s VAL 460 Ca 0.10 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.15 2xhm s VAL 460 Cb 0.17 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 35.06 2xhm s VAL 460 CO 0.70 0.45 1.30 -1.81 0.00 0.00 0.00 175.10 175.74 2xhm s ASP 461 N 0.91 6.28 0.48 3.32 1.01 -1.26 -4.90 116.67 122.50 2xhm s ASP 461 Ca -0.08 2.66 0.23 0.00 0.71 0.00 0.00 52.55 56.06 2xhm s ASP 461 Cb -0.15 -2.64 1.26 0.00 1.01 0.00 0.00 42.92 42.40 2xhm s ASP 461 CO -0.01 -0.87 1.90 0.11 0.21 0.00 0.00 175.17 176.52 2xhm h LYS 462 N 2.63 0.20 0.00 8.23 1.57 -2.00 0.35 116.57 127.56 2xhm h LYS 462 Ca -0.50 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2xhm h LYS 462 Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2xhm h LYS 462 CO 0.62 0.14 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 2xhm h ALA 463 N 1.62 1.00 -0.15 3.86 0.00 -2.01 -3.03 119.26 120.55 2xhm h ALA 463 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2xhm h ALA 463 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2xhm h ALA 463 CO -0.08 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.26 2xhm n ASN 464 N -2.97 2.66 -0.28 0.00 5.03 0.12 -4.82 115.26 115.01 2xhm n ASN 464 Ca -0.02 -2.34 -0.06 0.00 0.87 0.00 0.00 54.58 53.03 2xhm n ASN 464 Cb 0.12 -0.23 0.06 0.00 -1.02 0.00 0.00 39.78 38.70 2xhm n ASN 464 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 2xhm h TRP 465 N 0.95 1.21 -0.04 3.10 4.06 -1.49 -1.84 115.95 121.89 2xhm h TRP 465 Ca 0.00 -0.10 -0.10 0.00 2.06 0.00 0.00 58.89 60.75 2xhm h TRP 465 Cb 0.81 -0.36 0.01 0.00 -1.00 0.00 0.00 29.16 28.62 2xhm h TRP 465 CO 0.16 0.93 -0.35 -0.97 -3.56 0.00 0.00 178.44 174.64 2xhm h ASN 466 N 1.14 0.38 0.86 -3.49 -0.00 -1.86 -3.11 115.58 109.50 2xhm h ASN 466 Ca 0.26 -0.70 -0.04 0.00 -0.00 0.00 0.00 56.30 55.82 2xhm h ASN 466 Cb 0.25 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.45 2xhm h ASN 466 CO -0.02 1.02 -0.18 0.00 -0.00 0.00 0.00 177.43 178.25 2xhm h ALA 468 N 1.82 1.49 0.35 0.00 0.00 -1.35 0.15 119.26 121.73 2xhm h ALA 468 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2xhm h ALA 468 Cb 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2xhm h ALA 468 CO 0.02 0.41 -0.17 0.35 0.00 0.00 0.00 179.25 179.86 2xhm h PHE 469 N 0.68 -0.44 -0.09 0.00 3.57 -1.29 -2.95 116.94 116.42 2xhm h PHE 469 Ca 0.17 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 2xhm h PHE 469 Cb 0.08 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2xhm h PHE 469 CO 0.01 -0.12 -0.26 -1.49 -2.23 0.00 0.00 178.31 174.22 2xhm h TRP 470 N -0.80 0.17 -0.49 0.41 4.06 -1.38 -2.05 115.95 115.87 2xhm h TRP 470 Ca -0.05 -0.03 0.04 0.00 2.06 0.00 0.00 58.89 60.92 2xhm h TRP 470 Cb 0.52 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.59 2xhm h TRP 470 CO 0.02 0.41 0.24 0.87 -3.56 0.00 0.00 178.44 176.42 2xhm h LYS 471 N 0.14 0.46 -0.47 0.49 1.57 -0.73 -0.03 116.57 118.00 2xhm h LYS 471 Ca 0.02 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 2xhm h LYS 471 Cb 0.54 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2xhm h LYS 471 CO 0.04 0.30 0.02 -0.07 -0.57 0.00 0.00 179.45 179.17 2xhm h LEU 472 N 0.47 0.80 -0.88 2.94 3.38 -1.25 0.53 115.31 121.30 2xhm h LEU 472 Ca 0.22 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2xhm h LEU 472 Cb 0.14 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2xhm h LEU 472 CO -0.16 0.90 0.56 0.03 0.09 0.00 0.00 178.44 179.86 2xhm h ARG 473 N 0.67 1.17 0.84 1.13 2.47 -1.12 -0.95 114.38 118.59 2xhm h ARG 473 Ca 0.14 -0.09 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 2xhm h ARG 473 Cb 0.48 -0.26 0.01 0.00 -1.65 0.00 0.00 29.97 28.55 2xhm h ARG 473 CO 0.02 0.79 -0.41 0.22 0.56 0.00 0.00 179.97 181.16 2xhm h ASP 474 N 1.20 -0.96 -0.72 7.04 -0.00 -0.86 -1.16 116.42 120.96 2xhm h ASP 474 Ca 0.32 0.03 0.12 0.00 -0.00 0.00 0.00 57.03 57.50 2xhm h ASP 474 Cb -0.10 0.25 -0.08 0.00 -0.00 0.00 0.00 39.33 39.39 2xhm h ASP 474 CO -0.07 -0.61 0.30 -0.08 -0.00 0.00 0.00 179.24 178.79 2xhm h GLU 475 N -1.28 0.47 0.06 0.28 4.81 -0.69 -0.06 114.58 118.16 2xhm h GLU 475 Ca -0.12 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 58.72 2xhm h GLU 475 Cb 0.87 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 2xhm h GLU 475 CO 0.19 0.31 -2.07 0.66 -0.73 0.00 0.00 179.01 177.37 2xhm n TYR 476 N -4.96 0.77 0.16 0.92 4.01 -0.38 -4.61 117.16 113.07 2xhm n TYR 476 Ca 0.12 0.20 0.10 0.00 -0.16 0.00 0.00 57.90 58.16 2xhm n TYR 476 Cb 0.35 -1.10 -0.14 0.00 -0.31 0.00 0.00 39.34 38.14 2xhm n TYR 476 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2xhm n SER 477 N -3.64 0.58 -2.42 7.72 7.64 -0.49 -4.85 113.62 118.17 2xhm n SER 477 Ca -0.38 -0.17 -0.17 0.00 1.01 0.00 0.00 58.87 59.16 2xhm n SER 477 Cb 0.96 1.73 0.03 0.00 -1.01 0.00 0.00 64.21 65.93 2xhm n SER 477 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2xhm n GLY 478 N 1.40 -0.21 3.53 0.23 0.00 -0.04 -4.95 105.19 105.15 2xhm n GLY 478 Ca -0.02 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2xhm n GLY 478 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2xhm s ILE 479 N -3.06 2.13 0.08 -0.61 -5.25 -1.23 -1.34 121.20 111.92 2xhm s ILE 479 Ca 0.27 -2.18 -0.18 0.00 -0.99 0.00 0.00 60.65 57.57 2xhm s ILE 479 Cb -0.12 -2.64 0.04 0.00 2.95 0.00 0.00 42.46 42.69 2xhm s ILE 479 CO 0.34 -0.20 0.42 -1.83 -1.79 0.00 0.00 174.94 171.87 2xhm s GLU 480 N -3.64 1.01 0.75 0.37 -1.05 -0.75 -3.56 118.70 111.84 2xhm s GLU 480 Ca 0.32 -0.51 -0.15 0.00 -0.15 0.00 0.00 54.97 54.48 2xhm s GLU 480 Cb 0.03 0.45 0.03 0.00 -0.44 0.00 0.00 34.13 34.20 2xhm s GLU 480 CO 0.16 -0.37 1.05 -2.30 0.95 0.00 0.00 175.26 174.74 2xhm n PRO 481 N 0.13 0.41 0.23 -4.83 -0.02 -1.26 -1.05 135.00 128.60 2xhm n PRO 481 Ca -0.17 0.20 0.10 0.00 -2.02 0.00 0.00 63.50 61.61 2xhm n PRO 481 Cb 0.62 -2.30 0.48 0.00 -0.02 0.00 0.00 33.50 32.28 2xhm n PRO 481 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2xhm h PRO 482 N -0.47 0.00 -5.30 0.52 0.13 -1.95 -3.43 132.00 121.49 2xhm h PRO 482 Ca -0.47 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.25 2xhm h PRO 482 Cb 1.32 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 2xhm h PRO 482 CO 0.46 0.22 -0.70 0.14 -0.23 0.00 0.00 178.00 177.89 2xhm s VAL 483 N -3.68 1.40 0.03 1.56 -7.23 -1.26 -5.08 120.40 106.14 2xhm s VAL 483 Ca 0.00 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 2xhm s VAL 483 Cb 0.10 -2.14 -0.07 0.00 0.56 0.00 0.00 36.38 34.83 2xhm s VAL 483 CO 0.63 -0.51 1.57 -0.69 -0.31 0.00 0.00 175.10 175.79 2xhm s VAL 484 N -3.18 3.31 0.38 1.32 1.01 -1.26 -4.90 120.40 117.07 2xhm s VAL 484 Ca 0.24 0.70 0.08 0.00 0.00 0.00 0.00 61.98 63.00 2xhm s VAL 484 Cb 0.03 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2xhm s VAL 484 CO 0.07 -0.01 0.31 -0.13 0.00 0.00 0.00 175.10 175.34 2xhm s ARG 485 N 2.70 2.57 0.04 2.72 1.81 0.15 -5.00 118.95 123.94 2xhm s ARG 485 Ca 0.71 -1.46 -0.00 0.00 -1.72 0.00 0.00 55.73 53.25 2xhm s ARG 485 Cb -0.36 -2.37 0.00 0.00 -0.45 0.00 0.00 34.95 31.76 2xhm s ARG 485 CO 0.30 -0.05 0.06 -1.13 -0.68 0.00 0.00 175.30 173.80 2xhm n SER 486 N -1.43 -0.17 0.00 0.23 3.41 -1.26 -0.67 113.62 113.74 2xhm n SER 486 Ca 0.01 -1.23 0.13 0.00 -0.26 0.00 0.00 58.87 57.52 2xhm n SER 486 Cb 0.61 0.31 0.73 0.00 -0.26 0.00 0.00 64.21 65.61 2xhm n SER 486 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2xhm n GLU 487 N -0.07 0.70 0.20 4.33 -0.58 -1.25 -1.89 120.64 122.09 2xhm n GLU 487 Ca 0.00 0.01 0.09 0.00 -0.42 0.00 0.00 57.16 56.84 2xhm n GLU 487 Cb 0.07 -1.50 0.31 0.00 -0.57 0.00 0.00 31.44 29.75 2xhm n GLU 487 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2xhm h LYS 488 N 0.00 0.00 -6.31 3.49 1.57 -1.95 -3.45 116.57 109.92 2xhm h LYS 488 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 2xhm h LYS 488 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2xhm h LYS 488 CO 0.00 0.24 -0.35 -0.51 -0.57 0.00 0.00 179.45 178.27 2xhm s ASP 489 N -6.22 6.11 -0.31 0.86 1.11 -0.79 -5.03 116.67 112.40 2xhm s ASP 489 Ca 0.03 -0.01 -0.01 0.00 0.18 0.00 0.00 52.55 52.73 2xhm s ASP 489 Cb 0.08 -1.54 0.13 0.00 1.07 0.00 0.00 42.92 42.66 2xhm s ASP 489 CO 0.66 -0.31 0.25 0.12 1.18 0.00 0.00 175.17 177.07 2xhm s PHE 490 N -2.14 -0.07 -0.13 4.23 5.36 -1.26 -4.71 117.98 119.25 2xhm s PHE 490 Ca 0.41 -0.65 0.20 0.00 -0.96 0.00 0.00 56.93 55.93 2xhm s PHE 490 Cb -0.09 -0.63 -0.18 0.00 -0.34 0.00 0.00 43.02 41.77 2xhm s PHE 490 CO 0.31 -0.89 0.67 -0.25 -1.46 0.00 0.00 175.22 173.60 2xhm n ASP 491 N 4.98 0.47 -0.20 6.13 8.00 -1.26 -0.79 116.55 133.88 2xhm n ASP 491 Ca 0.00 0.20 0.01 0.00 0.71 0.00 0.00 54.79 55.70 2xhm n ASP 491 Cb 0.44 0.92 0.11 0.00 -0.02 0.00 0.00 41.12 42.57 2xhm n ASP 491 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2xhm h ALA 492 N 1.69 0.72 0.00 2.24 0.00 -1.94 -1.93 119.26 120.05 2xhm h ALA 492 Ca -0.12 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2xhm h ALA 492 Cb 1.34 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2xhm h ALA 492 CO 0.02 -0.29 0.00 -2.30 0.00 0.00 0.00 179.25 176.68 2xhm n PRO 493 N -5.10 0.19 0.12 0.00 -0.02 -1.26 -1.97 135.00 126.95 2xhm n PRO 493 Ca 0.09 0.15 0.11 0.00 -2.02 0.00 0.00 63.50 61.83 2xhm n PRO 493 Cb 0.31 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 32.77 2xhm n PRO 493 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xhm n ALA 494 N -1.24 1.50 -2.71 3.55 0.00 -0.73 -4.02 120.51 116.86 2xhm n ALA 494 Ca 0.06 0.10 -0.38 0.00 0.00 0.00 0.00 53.44 53.21 2xhm n ALA 494 Cb 0.08 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 2xhm n ALA 494 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2xhm s LYS 495 N -3.33 4.33 0.16 0.00 2.47 -0.83 -4.92 119.74 117.62 2xhm s LYS 495 Ca 0.03 0.49 -0.23 0.00 -1.56 0.00 0.00 55.97 54.70 2xhm s LYS 495 Cb 0.08 -3.45 0.06 0.00 -1.46 0.00 0.00 37.83 33.06 2xhm s LYS 495 CO 0.32 0.11 1.60 -0.92 0.16 0.00 0.00 175.35 176.62 2xhm h TYR 496 N 6.82 -0.87 -0.24 4.03 3.20 -1.89 -0.79 116.97 127.24 2xhm h TYR 496 Ca -0.40 0.06 0.07 0.00 3.14 0.00 0.00 58.73 61.60 2xhm h TYR 496 Cb 1.18 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 39.88 2xhm h TYR 496 CO 0.63 -0.38 0.21 0.45 -1.64 0.00 0.00 178.16 177.44 2xhm h HIS 497 N -0.25 0.00 0.06 -3.82 3.86 -1.92 0.15 115.15 113.23 2xhm h HIS 497 Ca 0.17 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.19 2xhm h HIS 497 Cb 0.53 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.02 2xhm h HIS 497 CO -0.53 0.00 -0.78 0.82 0.86 0.00 0.00 177.93 178.30 2xhm h ILE 498 N 0.00 1.43 -0.46 2.45 2.04 -1.42 -0.06 117.51 121.49 2xhm h ILE 498 Ca 0.11 -2.28 -0.07 0.00 1.00 0.00 0.00 64.86 63.62 2xhm h ILE 498 Cb 0.53 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 2xhm h ILE 498 CO -0.00 0.66 0.01 0.28 0.00 0.00 0.00 178.15 179.10 2xhm h SER 499 N -0.11 0.71 -0.15 1.72 0.02 -0.98 -3.19 113.55 111.57 2xhm h SER 499 Ca -0.12 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2xhm h SER 499 Cb 1.52 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.88 2xhm h SER 499 CO 0.15 0.77 0.00 0.00 -1.14 0.00 0.00 176.83 176.61 2xhm n ALA 500 N -2.47 2.52 -3.53 3.77 0.00 0.44 -3.91 120.51 117.32 2xhm n ALA 500 Ca 0.02 -0.57 -0.23 0.00 0.00 0.00 0.00 53.44 52.67 2xhm n ALA 500 Cb 0.28 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.72 2xhm n ALA 500 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2xhm n ASP 501 N 0.48 -4.40 -4.21 0.00 4.64 -0.76 -5.00 116.55 107.30 2xhm n ASP 501 Ca 0.17 -0.84 -0.34 0.00 -1.38 0.00 0.00 54.79 52.40 2xhm n ASP 501 Cb 0.38 -4.26 -0.15 0.00 -1.04 0.00 0.00 41.12 36.05 2xhm n ASP 501 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2xhm s VAL 502 N -3.49 2.62 0.33 5.18 1.01 -0.11 -5.05 120.40 120.88 2xhm s VAL 502 Ca 0.31 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 2xhm s VAL 502 Cb -0.08 -2.14 -0.12 0.00 0.00 0.00 0.00 36.38 34.04 2xhm s VAL 502 CO 0.80 0.49 1.28 1.21 0.00 0.00 0.00 175.10 178.89 2xhm n GLU 503 N 4.61 2.07 -0.01 2.72 0.00 -1.26 -4.66 120.64 124.11 2xhm n GLU 503 Ca -0.20 0.73 0.07 0.00 0.00 0.00 0.00 57.16 57.76 2xhm n GLU 503 Cb 0.51 -2.30 -0.10 0.00 0.00 0.00 0.00 31.44 29.55 2xhm n GLU 503 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2xhm n TYR 504 N 0.44 0.00 0.05 4.31 9.36 -1.26 -4.51 117.16 125.56 2xhm n TYR 504 Ca 0.05 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.45 2xhm n TYR 504 Cb 0.35 -0.27 0.68 0.00 -0.63 0.00 0.00 39.34 39.48 2xhm n TYR 504 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2xhm h LEU 505 N 0.00 0.00 -1.22 2.98 5.85 -1.92 -0.08 115.31 120.91 2xhm h LEU 505 Ca 0.00 0.00 0.30 0.00 0.84 0.00 0.00 57.88 59.02 2xhm h LEU 505 Cb 0.57 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.48 2xhm h LEU 505 CO 0.00 0.00 0.66 0.08 -0.34 0.00 0.00 178.44 178.84 2xhm h ARG 506 N 0.00 0.37 -0.01 1.25 0.11 -1.90 -0.94 114.38 113.26 2xhm h ARG 506 Ca 0.20 -0.02 -0.24 0.00 0.10 0.00 0.00 59.98 60.02 2xhm h ARG 506 Cb 0.81 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 31.82 2xhm h ARG 506 CO -0.00 0.24 -0.97 1.88 0.10 0.00 0.00 179.97 181.22 2xhm h TYR 507 N 0.38 0.82 -0.17 4.08 0.05 -1.32 -0.01 116.97 120.80 2xhm h TYR 507 Ca 0.67 -0.44 -0.00 0.00 0.05 0.00 0.00 58.73 59.00 2xhm h TYR 507 Cb 1.63 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 39.27 2xhm h TYR 507 CO -0.01 1.27 0.10 1.25 -1.05 0.00 0.00 178.16 179.72 2xhm h LEU 508 N 0.32 0.20 -0.19 3.88 5.85 -1.38 -0.89 115.31 123.10 2xhm h LEU 508 Ca -0.10 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2xhm h LEU 508 Cb 1.61 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 2xhm h LEU 508 CO 0.18 0.21 0.01 0.58 -0.34 0.00 0.00 178.44 179.08 2xhm h VAL 509 N 0.18 0.88 -0.39 1.05 2.07 -1.21 -2.62 116.25 116.21 2xhm h VAL 509 Ca 0.06 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.63 2xhm h VAL 509 Cb 0.05 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 2xhm h VAL 509 CO -0.01 0.01 -0.13 -1.28 0.02 0.00 0.00 177.57 176.18 2xhm h SER 510 N 0.07 -0.46 0.43 0.57 0.87 -0.82 -0.33 113.55 113.88 2xhm h SER 510 Ca 0.09 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 2xhm h SER 510 Cb 0.10 0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2xhm h SER 510 CO -0.14 -0.16 -0.13 -0.26 -0.53 0.00 0.00 176.83 175.60 2xhm h PHE 511 N -0.04 0.00 0.08 2.24 0.05 -0.92 0.24 116.94 118.58 2xhm h PHE 511 Ca 0.19 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.98 2xhm h PHE 511 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.29 2xhm h PHE 511 CO -0.38 0.13 -0.04 0.82 -0.18 0.00 0.00 178.31 178.67 2xhm h ILE 512 N 0.00 0.13 0.00 -0.55 2.04 -1.07 -3.40 117.51 114.66 2xhm h ILE 512 Ca -0.00 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.79 2xhm h ILE 512 Cb 0.39 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2xhm h ILE 512 CO 0.02 0.04 -0.28 0.16 0.00 0.00 0.00 178.15 178.09 2xhm h ILE 513 N -1.02 0.78 -0.05 -0.67 3.07 -0.86 -2.73 117.51 116.03 2xhm h ILE 513 Ca -0.01 -1.17 0.01 0.00 1.55 0.00 0.00 64.86 65.24 2xhm h ILE 513 Cb 0.15 1.73 -0.00 0.00 -0.27 0.00 0.00 36.82 38.43 2xhm h ILE 513 CO 0.02 0.28 0.05 0.06 -1.05 0.00 0.00 178.15 177.50 2xhm h GLN 514 N 0.00 0.00 0.03 0.16 3.07 -0.73 -0.20 115.11 117.45 2xhm h GLN 514 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.52 2xhm h GLN 514 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.25 2xhm h GLN 514 CO 0.04 0.00 -1.02 0.74 0.09 0.00 0.00 178.83 178.67 2xhm h PHE 515 N 0.00 0.16 -0.20 0.06 0.04 -1.69 0.10 116.94 115.42 2xhm h PHE 515 Ca 0.02 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 2xhm h PHE 515 Cb 0.12 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2xhm h PHE 515 CO 0.00 1.05 0.09 1.96 -0.60 0.00 0.00 178.31 180.80 2xhm h GLN 516 N 0.03 0.29 -0.16 1.51 4.20 -1.22 -0.81 115.11 118.95 2xhm h GLN 516 Ca -0.04 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 2xhm h GLN 516 Cb 1.75 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.48 2xhm h GLN 516 CO 0.15 0.34 0.09 0.74 -0.67 0.00 0.00 178.83 179.48 2xhm h PHE 517 N 0.18 0.22 -0.01 2.96 0.05 -1.08 -2.50 116.94 116.76 2xhm h PHE 517 Ca 0.07 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.85 2xhm h PHE 517 Cb 0.15 -0.07 -0.00 0.00 2.00 0.00 0.00 35.95 38.03 2xhm h PHE 517 CO -0.02 0.21 0.00 -0.92 -0.18 0.00 0.00 178.31 177.41 2xhm h TYR 518 N 0.17 0.01 -0.14 -0.55 3.20 -0.95 0.85 116.97 119.56 2xhm h TYR 518 Ca 0.06 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.97 2xhm h TYR 518 Cb 0.06 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 2xhm h TYR 518 CO -0.04 0.05 -0.18 -0.22 -1.64 0.00 0.00 178.16 176.13 2xhm h LYS 519 N -0.04 -0.22 -0.65 1.82 3.64 -1.17 0.90 116.57 120.85 2xhm h LYS 519 Ca 0.00 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 2xhm h LYS 519 Cb 0.05 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2xhm h LYS 519 CO -0.00 -0.15 0.14 0.77 -2.27 0.00 0.00 179.45 177.95 2xhm h SER 520 N -0.23 1.01 -0.76 4.20 0.02 -1.31 -0.62 113.55 115.86 2xhm h SER 520 Ca 0.10 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 2xhm h SER 520 Cb 0.38 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2xhm h SER 520 CO -0.27 0.99 0.29 0.00 -1.14 0.00 0.00 176.83 176.70 2xhm h ALA 521 N 1.05 0.99 -0.43 3.77 0.00 -0.57 -1.14 119.26 122.93 2xhm h ALA 521 Ca 0.20 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2xhm h ALA 521 Cb 0.39 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2xhm h ALA 521 CO 0.01 0.63 0.02 0.00 0.00 0.00 0.00 179.25 179.90 2xhm h ILE 523 N 0.59 1.09 -0.40 0.00 2.04 -0.97 0.20 117.51 120.07 2xhm h ILE 523 Ca 0.12 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2xhm h ILE 523 Cb 0.46 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2xhm h ILE 523 CO 0.02 0.09 0.21 0.11 0.00 0.00 0.00 178.15 178.58 2xhm h LYS 524 N 0.40 0.55 -0.00 2.37 1.57 -1.15 -1.92 116.57 118.39 2xhm h LYS 524 Ca 0.11 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2xhm h LYS 524 Cb -0.02 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2xhm h LYS 524 CO -0.02 0.42 -0.03 0.00 -0.57 0.00 0.00 179.45 179.25 2xhm n ALA 525 N -2.47 2.66 -2.08 3.86 0.00 -0.49 -4.73 120.51 117.26 2xhm n ALA 525 Ca 0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.07 2xhm n ALA 525 Cb 0.11 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 2xhm n ALA 525 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xhm n GLY 526 N 1.13 0.16 0.19 0.00 0.00 -0.72 -4.91 105.19 101.04 2xhm n GLY 526 Ca 0.20 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.99 2xhm n GLY 526 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xhm n GLN 527 N -2.40 1.30 -3.74 1.61 1.13 0.67 -4.92 117.38 111.02 2xhm n GLN 527 Ca -0.16 -0.41 -0.16 0.00 -1.94 0.00 0.00 57.00 54.33 2xhm n GLN 527 Cb 0.59 -1.35 -0.16 0.00 0.11 0.00 0.00 30.24 29.43 2xhm n GLN 527 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2xhm s TYR 528 N -2.43 -0.03 -0.10 1.08 5.04 -1.12 -4.53 117.35 115.25 2xhm s TYR 528 Ca 0.11 0.28 -0.03 0.00 -2.44 0.00 0.00 57.07 54.98 2xhm s TYR 528 Cb 0.14 -0.24 0.05 0.00 0.35 0.00 0.00 41.96 42.27 2xhm s TYR 528 CO 0.61 -0.14 0.16 0.34 -1.34 0.00 0.00 175.55 175.18 2xhm s ASP 529 N 1.36 0.97 0.49 4.32 3.68 -1.12 -4.44 116.67 121.93 2xhm s ASP 529 Ca -0.06 0.18 0.33 0.00 2.13 0.00 0.00 52.55 55.13 2xhm s ASP 529 Cb -0.12 0.22 1.67 0.00 -1.45 0.00 0.00 42.92 43.24 2xhm s ASP 529 CO -0.04 -0.26 2.00 1.55 0.13 0.00 0.00 175.17 178.55 2xhm h PRO 530 N 8.37 0.00 -0.14 4.34 0.13 -2.00 -1.95 132.00 140.75 2xhm h PRO 530 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2xhm h PRO 530 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2xhm h PRO 530 CO 0.17 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.69 2xhm n ASP 531 N -2.73 2.86 -4.16 1.44 8.00 -1.26 -4.85 116.55 115.85 2xhm n ASP 531 Ca -0.01 -1.86 -0.35 0.00 0.71 0.00 0.00 54.79 53.28 2xhm n ASP 531 Cb 0.13 -0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.01 2xhm n ASP 531 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2xhm s ASN 532 N -1.54 4.89 0.64 -2.24 3.84 -0.73 -4.98 114.94 114.82 2xhm s ASN 532 Ca 0.27 -1.36 0.38 0.00 0.21 0.00 0.00 52.86 52.36 2xhm s ASN 532 Cb 0.18 -1.71 2.11 0.00 -0.55 0.00 0.00 41.25 41.28 2xhm s ASN 532 CO 0.26 -0.28 2.26 1.62 -2.79 0.00 0.00 177.10 178.17 2xhm h VAL 533 N 6.48 0.18 0.00 -5.21 3.04 -1.89 -1.02 116.25 117.84 2xhm h VAL 533 Ca -0.20 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2xhm h VAL 533 Cb 1.06 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2xhm h VAL 533 CO 0.54 0.00 -0.07 -0.62 -1.01 0.00 0.00 177.57 176.41 2xhm n GLU 534 N -3.32 0.11 -3.28 4.17 -0.58 -1.26 -4.24 120.64 112.24 2xhm n GLU 534 Ca -0.02 0.08 -0.26 0.00 -0.42 0.00 0.00 57.16 56.54 2xhm n GLU 534 Cb 0.14 -1.62 -0.07 0.00 -0.57 0.00 0.00 31.44 29.33 2xhm n GLU 534 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2xhm n LEU 535 N -1.81 3.13 -4.81 -4.62 4.77 -0.39 -5.09 117.00 108.19 2xhm n LEU 535 Ca 0.06 -5.34 -0.34 0.00 -0.03 0.00 0.00 56.01 50.36 2xhm n LEU 535 Cb 0.38 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2xhm n LEU 535 CO 0.29 2.13 0.68 -2.16 -1.33 0.00 0.00 177.39 177.00 2xhm s PRO 536 N -2.44 4.15 0.32 3.23 0.04 -1.26 -2.78 135.00 136.27 2xhm s PRO 536 Ca 0.41 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.71 2xhm s PRO 536 Cb 0.19 -2.26 0.60 0.00 0.04 0.00 0.00 34.50 33.07 2xhm s PRO 536 CO -0.05 -0.11 1.94 1.25 0.04 0.00 0.00 177.00 180.06 2xhm h LEU 537 N 2.01 0.82 0.00 -3.56 5.85 -1.92 -2.39 115.31 116.12 2xhm h LEU 537 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2xhm h LEU 537 Cb 1.20 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2xhm h LEU 537 CO 0.61 0.54 0.00 -0.90 -0.34 0.00 0.00 178.44 178.35 2xhm n ASP 538 N -4.48 0.00 -0.22 1.25 5.75 -1.26 -2.47 116.55 115.12 2xhm n ASP 538 Ca 0.12 -1.07 0.07 0.00 -0.01 0.00 0.00 54.79 53.90 2xhm n ASP 538 Cb 0.19 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.38 2xhm n ASP 538 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2xhm n ASN 539 N -0.88 1.62 -4.72 -1.12 5.15 -0.90 -4.80 115.26 109.60 2xhm n ASN 539 Ca 0.16 -2.77 -0.42 0.00 -0.60 0.00 0.00 54.58 50.95 2xhm n ASN 539 Cb 0.07 -0.36 -0.03 0.00 -0.53 0.00 0.00 39.78 38.93 2xhm n ASN 539 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2xhm s ASP 541 N 0.95 3.47 0.00 0.00 3.68 -1.26 -4.43 116.67 119.07 2xhm s ASP 541 Ca 0.59 -0.78 0.21 0.00 2.13 0.00 0.00 52.55 54.71 2xhm s ASP 541 Cb -0.32 -1.51 0.62 0.00 -1.45 0.00 0.00 42.92 40.26 2xhm s ASP 541 CO 0.30 -0.04 1.49 2.30 0.13 0.00 0.00 175.17 179.35 2xhm n ILE 542 N 4.60 0.30 -1.64 4.11 -5.35 -1.26 -4.95 119.36 115.17 2xhm n ILE 542 Ca -0.19 -0.48 -0.44 0.00 -0.27 0.00 0.00 62.75 61.37 2xhm n ILE 542 Cb 0.49 0.58 -0.01 0.00 -1.74 0.00 0.00 39.64 38.95 2xhm n ILE 542 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2xhm n TYR 543 N 0.71 1.75 -0.86 4.28 9.36 -1.26 -2.02 117.16 129.13 2xhm n TYR 543 Ca 0.17 0.62 0.00 0.00 3.32 0.00 0.00 57.90 62.01 2xhm n TYR 543 Cb 0.42 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 36.79 2xhm n TYR 543 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2xhm n GLY 544 N 1.14 0.48 3.51 2.98 0.00 -1.24 -4.97 105.19 107.09 2xhm n GLY 544 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2xhm n GLY 544 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xhm s SER 545 N -2.38 6.34 0.33 1.61 0.15 -0.85 -4.72 113.70 114.17 2xhm s SER 545 Ca 0.00 -0.36 0.12 0.00 0.70 0.00 0.00 55.95 56.40 2xhm s SER 545 Cb 0.00 -2.37 0.58 0.00 -1.71 0.00 0.00 66.02 62.52 2xhm s SER 545 CO 0.00 -0.97 1.74 0.00 1.20 0.00 0.00 173.24 175.21 2xhm h ALA 546 N 9.05 1.23 -0.50 5.45 0.00 -1.79 -2.55 119.26 130.16 2xhm h ALA 546 Ca -0.26 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 2xhm h ALA 546 Cb 1.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2xhm h ALA 546 CO 0.98 0.58 0.08 0.00 0.00 0.00 0.00 179.25 180.89 2xhm h ALA 547 N 1.53 0.66 -0.48 0.00 0.00 -1.88 -0.57 119.26 118.52 2xhm h ALA 547 Ca -0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2xhm h ALA 547 Cb 0.82 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2xhm h ALA 547 CO 0.06 0.40 -0.14 0.00 0.00 0.00 0.00 179.25 179.57 2xhm h ALA 548 N 0.97 0.86 -0.44 0.00 0.00 -1.81 -3.04 119.26 115.81 2xhm h ALA 548 Ca 0.15 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2xhm h ALA 548 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2xhm h ALA 548 CO 0.01 0.64 0.05 0.78 0.00 0.00 0.00 179.25 180.74 2xhm h GLY 549 N 0.96 0.73 0.98 0.00 0.00 -1.26 -2.64 103.07 101.84 2xhm h GLY 549 Ca 0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2xhm h GLY 549 CO 0.05 0.40 0.28 0.00 0.00 0.00 0.00 176.54 177.27 2xhm h ALA 550 N 1.41 0.69 -0.44 3.60 0.00 -0.99 0.82 119.26 124.35 2xhm h ALA 550 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2xhm h ALA 550 Cb 0.33 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2xhm h ALA 550 CO 0.01 0.23 0.24 0.00 0.00 0.00 0.00 179.25 179.73 2xhm h ALA 551 N 1.12 0.56 -0.21 0.00 0.00 -1.43 0.11 119.26 119.41 2xhm h ALA 551 Ca 0.19 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2xhm h ALA 551 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2xhm h ALA 551 CO -0.03 0.08 0.10 0.74 0.00 0.00 0.00 179.25 180.14 2xhm h PHE 552 N 0.58 0.18 -0.41 0.00 0.04 -1.23 -2.16 116.94 113.94 2xhm h PHE 552 Ca 0.16 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.96 2xhm h PHE 552 Cb 0.05 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2xhm h PHE 552 CO -0.02 0.10 0.23 1.25 -0.60 0.00 0.00 178.31 179.26 2xhm h HIS 553 N 0.21 0.42 -0.79 -0.55 2.76 -0.56 0.25 115.15 116.89 2xhm h HIS 553 Ca 0.09 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.37 2xhm h HIS 553 Cb 0.03 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 28.80 2xhm h HIS 553 CO -0.10 0.24 0.52 -0.91 -1.30 0.00 0.00 177.93 176.37 2xhm h ASN 554 N 0.46 0.64 0.00 3.26 2.35 -0.82 -2.10 115.58 119.37 2xhm h ASN 554 Ca 0.17 0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.81 2xhm h ASN 554 Cb 0.04 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2xhm h ASN 554 CO -0.09 0.38 -0.76 -0.03 -1.65 0.00 0.00 177.43 175.27 2xhm h MET 555 N 0.71 0.00 -0.21 0.81 4.05 -0.79 -3.39 114.93 116.10 2xhm h MET 555 Ca 0.37 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.71 2xhm h MET 555 Cb 0.48 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 2xhm h MET 555 CO -0.14 0.78 -0.20 -0.07 0.23 0.00 0.00 176.91 177.51 2xhm h LEU 556 N -1.00 0.37 -2.29 3.39 3.38 -0.54 -2.70 115.31 115.91 2xhm h LEU 556 Ca -0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2xhm h LEU 556 Cb 1.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2xhm h LEU 556 CO -0.12 0.58 -0.05 0.77 0.09 0.00 0.00 178.44 179.72 2xhm h SER 557 N 0.34 0.00 0.59 -0.43 4.64 -1.54 -1.95 113.55 115.20 2xhm h SER 557 Ca 0.06 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 2xhm h SER 557 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2xhm h SER 557 CO 0.04 0.05 -0.32 0.24 -0.87 0.00 0.00 176.83 175.96 2xhm h MET 558 N 0.00 0.00 0.00 4.77 2.86 -1.67 -3.41 114.93 117.48 2xhm h MET 558 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2xhm h MET 558 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2xhm h MET 558 CO 0.01 0.32 0.00 0.41 1.06 0.00 0.00 176.91 178.71 2xhm n GLY 559 N -0.18 3.20 1.58 8.32 0.00 -0.73 -1.33 105.19 116.05 2xhm n GLY 559 Ca -0.01 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 45.99 2xhm n GLY 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xhm n ALA 560 N 10.04 3.80 0.28 4.61 0.00 -0.18 -3.49 120.51 135.58 2xhm n ALA 560 Ca 0.00 -2.20 0.12 0.00 0.00 0.00 0.00 53.44 51.36 2xhm n ALA 560 Cb 0.00 -1.01 0.79 0.00 0.00 0.00 0.00 19.45 19.23 2xhm n ALA 560 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2xhm h SER 561 N 2.89 0.00 -4.26 0.00 4.64 -1.41 -3.43 113.55 111.97 2xhm h SER 561 Ca 0.07 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.07 2xhm h SER 561 Cb 1.89 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.81 2xhm h SER 561 CO 0.47 0.03 -0.73 -0.54 -0.87 0.00 0.00 176.83 175.19 2xhm s LYS 562 N -4.70 0.91 0.53 4.77 -0.14 -1.26 -5.00 119.74 114.85 2xhm s LYS 562 Ca -0.05 -1.25 -0.21 0.00 -1.36 0.00 0.00 55.97 53.10 2xhm s LYS 562 Cb 0.15 -0.57 -0.07 0.00 -1.68 0.00 0.00 37.83 35.67 2xhm s LYS 562 CO 0.60 0.08 1.08 -2.30 -0.76 0.00 0.00 175.35 174.05 2xhm n PRO 563 N 0.34 1.28 -0.13 -1.68 -0.02 -1.26 -4.77 135.00 128.76 2xhm n PRO 563 Ca -0.14 0.47 0.16 0.00 -2.02 0.00 0.00 63.50 61.97 2xhm n PRO 563 Cb 0.58 -2.24 0.55 0.00 -0.02 0.00 0.00 33.50 32.38 2xhm n PRO 563 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2xhm h TRP 564 N 1.11 0.37 -0.01 6.00 5.08 -1.92 -0.53 115.95 126.06 2xhm h TRP 564 Ca -0.48 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.50 2xhm h TRP 564 Cb 1.34 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 27.38 2xhm h TRP 564 CO 0.41 0.15 0.01 -1.35 -1.28 0.00 0.00 178.44 176.38 2xhm h PRO 565 N 0.32 0.00 -0.19 0.12 0.11 -1.90 -0.68 132.00 129.78 2xhm h PRO 565 Ca 0.34 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.33 2xhm h PRO 565 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2xhm h PRO 565 CO -0.09 0.00 -0.41 -0.44 -0.21 0.00 0.00 178.00 176.85 2xhm h ASP 566 N 0.00 0.47 -0.35 -2.05 3.45 -1.43 -0.90 116.42 115.61 2xhm h ASP 566 Ca 0.00 -0.20 -0.17 0.00 0.43 0.00 0.00 57.03 57.09 2xhm h ASP 566 Cb 0.01 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 38.65 2xhm h ASP 566 CO -0.00 0.83 -0.44 0.00 -1.57 0.00 0.00 179.24 178.05 2xhm h ALA 567 N 1.20 0.53 -0.62 3.45 0.00 -1.26 -2.00 119.26 120.56 2xhm h ALA 567 Ca 0.03 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2xhm h ALA 567 Cb 0.87 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2xhm h ALA 567 CO 0.07 0.68 0.20 1.25 0.00 0.00 0.00 179.25 181.45 2xhm h LEU 568 N 0.73 0.90 -1.27 0.00 5.85 -1.08 -2.84 115.31 117.61 2xhm h LEU 568 Ca 0.04 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2xhm h LEU 568 Cb 1.05 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2xhm h LEU 568 CO 0.11 0.86 0.41 -0.08 -0.34 0.00 0.00 178.44 179.40 2xhm h GLU 569 N 0.88 0.91 -0.33 1.25 4.81 0.37 -1.71 114.58 120.76 2xhm h GLU 569 Ca 0.20 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2xhm h GLU 569 Cb 0.28 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2xhm h GLU 569 CO -0.01 0.63 0.05 0.00 -0.73 0.00 0.00 179.01 178.96 2xhm h ALA 570 N 1.53 1.47 0.07 2.92 0.00 -1.13 0.15 119.26 124.26 2xhm h ALA 570 Ca 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2xhm h ALA 570 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2xhm h ALA 570 CO -0.05 0.39 -0.04 0.35 0.00 0.00 0.00 179.25 179.90 2xhm h PHE 571 N 0.48 -0.09 0.00 0.00 3.57 -1.13 -3.43 116.94 116.34 2xhm h PHE 571 Ca 0.11 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2xhm h PHE 571 Cb 0.24 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2xhm h PHE 571 CO 0.01 0.48 -0.11 0.27 -2.23 0.00 0.00 178.31 176.73 2xhm n ASN 572 N -4.82 0.00 0.00 0.41 0.23 -0.79 -4.83 115.26 105.46 2xhm n ASN 572 Ca -0.08 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.75 2xhm n ASN 572 Cb 0.30 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 2xhm n ASN 572 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2xhm n GLY 573 N 0.00 1.13 3.95 4.83 0.00 0.51 -4.99 105.19 110.62 2xhm n GLY 573 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2xhm n GLY 573 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2xhm s GLU 574 N -0.04 3.46 0.00 1.61 2.02 -1.26 -4.83 118.70 119.66 2xhm s GLU 574 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.42 2xhm s GLU 574 Cb 0.00 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.34 2xhm s GLU 574 CO 0.00 0.43 0.41 0.54 0.02 0.00 0.00 175.26 176.66 2xhm n ARG 575 N -0.94 -0.37 -5.17 1.61 1.74 -1.26 -1.06 116.66 111.21 2xhm n ARG 575 Ca -0.07 -0.45 -0.31 0.00 -0.77 0.00 0.00 57.85 56.25 2xhm n ARG 575 Cb 0.55 -0.85 -0.17 0.00 -1.02 0.00 0.00 32.46 30.97 2xhm n ARG 575 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2xhm s ILE 576 N -0.08 1.99 -0.00 0.55 1.01 -1.26 -4.65 121.20 118.76 2xhm s ILE 576 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 2xhm s ILE 576 Cb 0.00 -1.72 -0.06 0.00 0.01 0.00 0.00 42.46 40.69 2xhm s ILE 576 CO 0.00 0.54 1.51 -0.32 0.00 0.00 0.00 174.94 176.68 2xhm s MET 577 N 0.35 4.24 -0.01 2.79 -2.45 -1.26 -5.00 119.30 117.95 2xhm s MET 577 Ca -0.18 2.09 -0.01 0.00 -1.25 0.00 0.00 55.69 56.34 2xhm s MET 577 Cb -0.18 -3.68 0.00 0.00 1.25 0.00 0.00 34.83 32.23 2xhm s MET 577 CO 0.08 -0.68 0.03 0.45 1.05 0.00 0.00 175.02 175.95 2xhm s SER 578 N 2.33 -0.02 0.00 1.11 0.15 -1.26 -5.02 113.70 110.99 2xhm s SER 578 Ca 0.68 0.03 0.23 0.00 0.70 0.00 0.00 55.95 57.58 2xhm s SER 578 Cb -0.33 0.07 1.09 0.00 -1.71 0.00 0.00 66.02 65.14 2xhm s SER 578 CO 0.28 -0.03 1.74 0.61 1.20 0.00 0.00 173.24 177.03 2xhm n GLY 579 N 2.95 -0.38 0.20 9.45 0.00 -1.26 -4.28 105.19 111.87 2xhm n GLY 579 Ca -0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 2xhm n GLY 579 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2xhm h LYS 580 N 1.17 0.51 -0.30 1.61 3.64 -1.96 -2.56 116.57 118.69 2xhm h LYS 580 Ca 0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2xhm h LYS 580 Cb 0.25 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2xhm h LYS 580 CO 0.00 0.34 -0.01 0.00 -2.27 0.00 0.00 179.45 177.51 2xhm h ALA 581 N 1.24 0.40 -0.61 5.00 0.00 -1.90 -1.12 119.26 122.28 2xhm h ALA 581 Ca 0.21 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2xhm h ALA 581 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2xhm h ALA 581 CO -0.12 0.16 0.15 0.97 0.00 0.00 0.00 179.25 180.40 2xhm h ILE 582 N 0.32 1.24 -0.27 0.00 2.10 -1.82 -1.35 117.51 117.73 2xhm h ILE 582 Ca 0.08 -0.88 -0.11 0.00 1.08 0.00 0.00 64.86 65.03 2xhm h ILE 582 Cb 0.45 0.62 -0.01 0.00 -1.09 0.00 0.00 36.82 36.78 2xhm h ILE 582 CO 0.02 0.33 -0.28 0.00 -1.08 0.00 0.00 178.15 177.14 2xhm h ALA 583 N 1.25 1.01 -0.40 0.18 0.00 -1.29 -2.58 119.26 117.43 2xhm h ALA 583 Ca 0.19 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2xhm h ALA 583 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2xhm h ALA 583 CO -0.00 0.59 0.12 1.49 0.00 0.00 0.00 179.25 181.45 2xhm h GLU 584 N 0.47 0.63 -0.63 0.00 4.81 -0.82 -0.13 114.58 118.91 2xhm h GLU 584 Ca 0.06 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2xhm h GLU 584 Cb 0.73 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 2xhm h GLU 584 CO 0.06 0.63 0.36 -0.92 -0.73 0.00 0.00 179.01 178.40 2xhm h TYR 585 N 0.51 0.66 -0.02 0.92 3.20 -1.06 -3.05 116.97 118.12 2xhm h TYR 585 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2xhm h TYR 585 Cb 0.27 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2xhm h TYR 585 CO 0.01 0.34 -0.11 1.19 -1.64 0.00 0.00 178.16 177.95 2xhm n PHE 586 N -4.78 0.00 -0.21 -3.82 3.72 -0.99 -4.52 117.46 106.86 2xhm n PHE 586 Ca 0.07 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.48 2xhm n PHE 586 Cb 0.14 -0.02 0.11 0.00 -0.94 0.00 0.00 39.48 38.77 2xhm n PHE 586 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2xhm h GLU 587 N 3.08 0.15 0.00 -1.08 4.57 -0.90 0.61 114.58 121.01 2xhm h GLU 587 Ca 0.00 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2xhm h GLU 587 Cb 0.72 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 2xhm h GLU 587 CO 0.00 0.10 -0.15 -1.00 -1.18 0.00 0.00 179.01 176.78 2xhm h PRO 588 N 0.16 0.00 -0.34 0.92 0.13 -1.81 -2.00 132.00 129.06 2xhm h PRO 588 Ca 0.33 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.32 2xhm h PRO 588 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2xhm h PRO 588 CO -0.50 0.15 -0.32 1.25 -0.23 0.00 0.00 178.00 178.35 2xhm h LEU 589 N 0.00 0.87 -0.32 1.56 5.85 -1.28 -2.81 115.31 119.19 2xhm h LEU 589 Ca -0.00 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.29 2xhm h LEU 589 Cb 0.28 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2xhm h LEU 589 CO 0.02 1.16 0.12 -0.09 -0.34 0.00 0.00 178.44 179.31 2xhm h ARG 590 N 0.60 0.26 -0.15 1.25 2.43 -0.33 0.20 114.38 118.64 2xhm h ARG 590 Ca 0.06 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2xhm h ARG 590 Cb 0.91 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 2xhm h ARG 590 CO 0.08 0.17 0.09 0.28 -1.51 0.00 0.00 179.97 179.08 2xhm h VAL 591 N 0.27 1.09 -0.35 0.20 2.07 -1.44 -1.18 116.25 116.91 2xhm h VAL 591 Ca 0.14 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2xhm h VAL 591 Cb 0.10 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2xhm h VAL 591 CO -0.13 0.09 0.09 -0.25 0.02 0.00 0.00 177.57 177.38 2xhm h TRP 592 N 0.15 0.58 -0.34 1.57 7.01 -1.24 -2.94 115.95 120.75 2xhm h TRP 592 Ca 0.05 -0.07 -0.08 0.00 2.11 0.00 0.00 58.89 60.91 2xhm h TRP 592 Cb 0.06 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 2xhm h TRP 592 CO -0.04 0.58 -0.09 1.25 -2.79 0.00 0.00 178.44 177.35 2xhm h LEU 593 N 0.41 0.66 -0.75 0.65 5.85 -0.49 -0.02 115.31 121.61 2xhm h LEU 593 Ca 0.11 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.54 2xhm h LEU 593 Cb 0.29 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 2xhm h LEU 593 CO -0.00 0.88 0.42 -0.33 -0.34 0.00 0.00 178.44 179.07 2xhm h GLU 594 N 0.44 0.72 -0.43 1.25 5.08 -1.27 -0.52 114.58 119.84 2xhm h GLU 594 Ca 0.09 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 2xhm h GLU 594 Cb 0.59 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2xhm h GLU 594 CO 0.03 0.47 -0.29 0.00 -1.00 0.00 0.00 179.01 178.23 2xhm h ALA 595 N 1.41 0.66 -0.51 3.43 0.00 -1.30 -2.67 119.26 120.28 2xhm h ALA 595 Ca 0.35 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2xhm h ALA 595 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2xhm h ALA 595 CO -0.22 0.67 -0.16 1.49 0.00 0.00 0.00 179.25 181.03 2xhm h GLU 596 N 0.80 1.00 -0.57 0.00 4.57 -0.46 0.28 114.58 120.21 2xhm h GLU 596 Ca 0.09 -0.40 -0.07 0.00 -1.18 0.00 0.00 59.36 57.79 2xhm h GLU 596 Cb 0.87 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 2xhm h GLU 596 CO 0.08 1.09 0.07 -0.91 -1.18 0.00 0.00 179.01 178.15 2xhm h ASN 597 N 0.87 0.89 -0.13 1.04 2.35 -1.14 -1.27 115.58 118.20 2xhm h ASN 597 Ca 0.12 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2xhm h ASN 597 Cb 0.74 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 2xhm h ASN 597 CO 0.06 0.91 -0.00 0.40 -1.65 0.00 0.00 177.43 177.14 2xhm h ILE 598 N 0.88 1.26 -0.92 2.81 2.04 -1.28 0.20 117.51 122.50 2xhm h ILE 598 Ca 0.18 -0.84 0.12 0.00 1.00 0.00 0.00 64.86 65.31 2xhm h ILE 598 Cb 0.42 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 2xhm h ILE 598 CO 0.01 0.24 0.59 0.50 0.00 0.00 0.00 178.15 179.50 2xhm h LYS 599 N -0.04 0.83 -0.72 2.37 3.64 -0.78 -2.14 116.57 119.74 2xhm h LYS 599 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2xhm h LYS 599 Cb 0.38 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2xhm h LYS 599 CO 0.01 0.55 0.00 0.09 -2.27 0.00 0.00 179.45 177.83 2xhm n ASN 600 N -4.56 3.92 -3.93 4.20 3.02 -0.49 -4.96 115.26 112.46 2xhm n ASN 600 Ca 0.17 -2.00 -0.29 0.00 -0.03 0.00 0.00 54.58 52.43 2xhm n ASN 600 Cb 0.36 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 39.07 2xhm n ASN 600 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2xhm n ASN 601 N 1.61 -3.48 -4.70 6.41 4.05 -0.48 -4.88 115.26 113.78 2xhm n ASN 601 Ca 0.24 -0.84 -0.42 0.00 0.45 0.00 0.00 54.58 54.01 2xhm n ASN 601 Cb 0.62 -3.67 -0.03 0.00 1.23 0.00 0.00 39.78 37.93 2xhm n ASN 601 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2xhm s VAL 602 N -3.43 4.29 0.20 3.44 1.01 0.57 -5.00 120.40 121.49 2xhm s VAL 602 Ca 0.49 1.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.81 2xhm s VAL 602 Cb -0.25 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 2xhm s VAL 602 CO 0.85 0.09 1.21 -2.28 0.00 0.00 0.00 175.10 174.96 2xhm s HIS 603 N 1.40 3.41 -0.06 5.22 2.46 -1.26 -4.87 115.29 121.59 2xhm s HIS 603 Ca 0.56 1.42 0.05 0.00 0.47 0.00 0.00 55.06 57.57 2xhm s HIS 603 Cb -0.26 -3.45 -0.02 0.00 -0.13 0.00 0.00 32.58 28.73 2xhm s HIS 603 CO 0.27 -1.25 -0.22 0.42 -2.47 0.00 0.00 174.74 171.48 2xhm s ILE 604 N -0.15 2.33 0.00 0.89 -1.09 -1.26 -4.61 121.20 117.31 2xhm s ILE 604 Ca 0.52 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 2xhm s ILE 604 Cb -0.33 -1.86 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 2xhm s ILE 604 CO 0.38 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 175.27 2xhm n GLY 605 N 2.78 0.49 3.24 6.18 0.00 -1.26 -5.09 105.19 111.53 2xhm n GLY 605 Ca -0.17 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 2xhm n GLY 605 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2xhm s TRP 606 N -1.70 -0.15 0.72 1.61 -2.14 -1.26 -4.79 118.94 111.23 2xhm s TRP 606 Ca 0.00 0.15 -0.11 0.00 2.66 0.00 0.00 56.10 58.80 2xhm s TRP 606 Cb 0.00 0.09 0.02 0.00 -3.10 0.00 0.00 33.47 30.49 2xhm s TRP 606 CO 0.00 -0.43 1.08 0.95 -2.66 0.00 0.00 176.95 175.89 2xhm s THR 607 N -1.78 3.66 0.27 0.66 -4.23 -0.34 -4.94 115.64 108.95 2xhm s THR 607 Ca -0.10 0.54 -0.30 0.00 -1.18 0.00 0.00 61.69 60.65 2xhm s THR 607 Cb -0.04 -3.39 -0.10 0.00 1.34 0.00 0.00 72.50 70.31 2xhm s THR 607 CO 0.01 -0.71 1.42 -0.89 -0.54 0.00 0.00 174.62 173.92 2xhm s THR 608 N -3.19 2.62 0.51 3.99 2.01 -1.26 -4.24 115.64 116.08 2xhm s THR 608 Ca 0.58 0.55 -0.22 0.00 0.31 0.00 0.00 61.69 62.92 2xhm s THR 608 Cb -0.13 -3.35 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 2xhm s THR 608 CO 0.54 0.10 1.24 -0.55 -0.69 0.00 0.00 174.62 175.25 2xhm s SER 609 N 0.16 5.73 -0.15 3.53 0.15 -1.26 -4.95 113.70 116.91 2xhm s SER 609 Ca 0.57 2.47 0.16 0.00 0.70 0.00 0.00 55.95 59.85 2xhm s SER 609 Cb -0.42 -2.61 0.49 0.00 -1.71 0.00 0.00 66.02 61.77 2xhm s SER 609 CO 0.47 -1.23 1.39 0.59 1.20 0.00 0.00 173.24 175.66 2xhm n ASN 610 N -0.83 3.71 -0.48 5.45 3.02 -1.26 -4.70 115.26 120.18 2xhm n ASN 610 Ca 0.09 -2.86 0.13 0.00 -0.03 0.00 0.00 54.58 51.91 2xhm n ASN 610 Cb 0.47 -0.49 0.49 0.00 -0.61 0.00 0.00 39.78 39.64 2xhm n ASN 610 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2xhm n LYS 611 N -0.36 1.65 -3.85 3.52 4.76 -1.26 -4.68 118.16 117.95 2xhm n LYS 611 Ca 0.20 -0.96 -0.29 0.00 -2.87 0.00 0.00 58.31 54.39 2xhm n LYS 611 Cb 0.82 -1.45 -0.16 0.00 -1.84 0.00 0.00 35.03 32.40 2xhm n LYS 611 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2xhm s VAL 613 N 1.59 4.94 -2.10 0.00 -7.23 0.16 -4.96 120.40 112.80 2xhm s VAL 613 Ca -0.03 1.47 0.31 0.00 -1.81 0.00 0.00 61.98 61.92 2xhm s VAL 613 Cb -0.18 -4.07 0.84 0.00 0.56 0.00 0.00 36.38 33.53 2xhm s VAL 613 CO -0.08 0.07 2.14 -1.20 -0.31 0.00 0.00 175.10 175.72