#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x92 h LEU 18 N 0.00 0.00 -0.15 0.00 3.38 -2.00 -2.94 115.31 113.59 2x92 h LEU 18 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2x92 h LEU 18 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2x92 h LEU 18 CO 0.00 0.60 -0.01 0.58 0.09 0.00 0.00 178.44 179.70 2x92 h VAL 19 N 0.00 1.26 -0.32 1.22 2.07 -2.00 -1.69 116.25 116.80 2x92 h VAL 19 Ca -0.01 -0.87 -0.13 0.00 0.82 0.00 0.00 66.70 66.51 2x92 h VAL 19 Cb 1.28 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 2x92 h VAL 19 CO 0.08 0.26 -0.32 0.11 0.02 0.00 0.00 177.57 177.71 2x92 h LYS 20 N 0.01 0.68 -0.56 1.57 6.56 -2.01 -3.05 116.57 119.76 2x92 h LYS 20 Ca 0.04 -0.31 -0.11 0.00 -1.06 0.00 0.00 60.65 59.21 2x92 h LYS 20 Cb 0.40 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 2x92 h LYS 20 CO 0.01 0.91 -0.06 1.49 -2.06 0.00 0.00 179.45 179.74 2x92 h GLU 21 N 0.58 1.03 -0.67 3.15 4.81 -1.48 -2.23 114.58 119.77 2x92 h GLU 21 Ca 0.06 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 2x92 h GLU 21 Cb 0.83 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 2x92 h GLU 21 CO 0.07 1.05 0.25 1.49 -0.73 0.00 0.00 179.01 181.14 2x92 h GLU 22 N 0.92 1.01 -0.48 1.92 4.81 -1.30 0.29 114.58 121.74 2x92 h GLU 22 Ca 0.15 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2x92 h GLU 22 Cb 0.62 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2x92 h GLU 22 CO 0.04 0.84 0.25 0.82 -0.73 0.00 0.00 179.01 180.23 2x92 h ILE 23 N 0.98 1.18 -0.55 2.32 2.04 -1.42 -2.23 117.51 119.83 2x92 h ILE 23 Ca 0.22 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 2x92 h ILE 23 Cb 0.22 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2x92 h ILE 23 CO -0.02 0.19 -0.08 1.56 0.00 0.00 0.00 178.15 179.81 2x92 h GLN 24 N 0.64 1.01 -0.95 2.37 4.20 -0.86 -3.07 115.11 118.44 2x92 h GLN 24 Ca 0.17 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 58.54 2x92 h GLN 24 Cb 0.08 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 2x92 h GLN 24 CO -0.02 1.03 0.63 0.00 -0.67 0.00 0.00 178.83 179.80 2x92 h ALA 25 N 0.99 1.34 -0.82 3.87 0.00 -0.31 -0.89 119.26 123.44 2x92 h ALA 25 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2x92 h ALA 25 Cb 0.64 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2x92 h ALA 25 CO 0.04 0.60 0.53 -0.22 0.00 0.00 0.00 179.25 180.21 2x92 h LYS 26 N 1.27 1.09 -0.45 0.00 3.64 -1.31 -0.12 116.57 120.68 2x92 h LYS 26 Ca 0.36 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.52 2x92 h LYS 26 Cb -0.11 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.46 2x92 h LYS 26 CO -0.09 0.74 -0.26 0.93 -2.27 0.00 0.00 179.45 178.50 2x92 h GLU 27 N 1.12 0.98 -0.31 1.90 5.08 -1.39 -2.31 114.58 119.64 2x92 h GLU 27 Ca 0.30 -0.45 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2x92 h GLU 27 Cb -0.10 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2x92 h GLU 27 CO -0.06 1.12 0.12 -0.92 -1.00 0.00 0.00 179.01 178.26 2x92 h TYR 28 N 0.83 0.21 -0.50 4.33 3.20 -0.83 -2.80 116.97 121.41 2x92 h TYR 28 Ca 0.10 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 2x92 h TYR 28 Cb 0.85 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 2x92 h TYR 28 CO 0.06 0.10 0.14 -0.07 -1.64 0.00 0.00 178.16 176.74 2x92 h LEU 29 N 0.26 0.75 -0.56 2.82 3.38 -0.95 -0.88 115.31 120.13 2x92 h LEU 29 Ca 0.14 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2x92 h LEU 29 Cb 0.10 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2x92 h LEU 29 CO -0.13 0.78 0.35 -0.08 0.09 0.00 0.00 178.44 179.44 2x92 h GLU 30 N 0.69 0.67 -0.21 1.13 4.81 -1.34 -0.30 114.58 120.03 2x92 h GLU 30 Ca 0.16 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 2x92 h GLU 30 Cb 0.31 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2x92 h GLU 30 CO -0.00 0.44 -0.28 -0.97 -0.73 0.00 0.00 179.01 177.47 2x92 h ASN 31 N 0.69 0.61 -0.75 1.04 -1.24 -1.40 -3.11 115.58 111.42 2x92 h ASN 31 Ca 0.22 -0.51 -0.05 0.00 0.71 0.00 0.00 56.30 56.68 2x92 h ASN 31 Cb 0.00 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 2x92 h ASN 31 CO -0.09 0.99 0.27 0.25 -1.29 0.00 0.00 177.43 177.56 2x92 h LEU 32 N 0.24 1.07 -0.16 0.34 5.85 -0.94 -1.62 115.31 120.09 2x92 h LEU 32 Ca 0.02 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2x92 h LEU 32 Cb 0.85 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2x92 h LEU 32 CO 0.07 0.97 0.02 0.78 -0.34 0.00 0.00 178.44 179.94 2x92 h ASN 33 N 1.11 -0.01 -0.88 1.25 2.35 -1.11 0.96 115.58 119.26 2x92 h ASN 33 Ca 0.25 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 56.05 2x92 h ASN 33 Cb 0.26 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 2x92 h ASN 33 CO -0.01 0.02 0.57 0.11 -1.65 0.00 0.00 177.43 176.46 2x92 h LYS 34 N 0.08 1.10 -0.57 0.81 1.57 -1.43 -0.50 116.57 117.63 2x92 h LYS 34 Ca 0.07 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2x92 h LYS 34 Cb 0.07 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2x92 h LYS 34 CO -0.10 0.73 0.17 1.49 -0.57 0.00 0.00 179.45 181.16 2x92 h GLU 35 N 1.13 0.89 -0.60 3.15 4.81 -0.89 -2.26 114.58 120.81 2x92 h GLU 35 Ca 0.34 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2x92 h GLU 35 Cb -0.04 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2x92 h GLU 35 CO -0.10 0.81 0.13 -0.07 -0.73 0.00 0.00 179.01 179.05 2x92 h LEU 36 N 0.80 0.93 -0.50 1.64 3.38 -0.33 -0.88 115.31 120.36 2x92 h LEU 36 Ca 0.18 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2x92 h LEU 36 Cb 0.30 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2x92 h LEU 36 CO -0.00 0.94 0.25 0.00 0.09 0.00 0.00 178.44 179.72 2x92 h ALA 37 N 1.03 0.63 -0.36 1.53 0.00 -1.01 0.37 119.26 121.44 2x92 h ALA 37 Ca 0.19 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2x92 h ALA 37 Cb 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2x92 h ALA 37 CO 0.01 -0.09 -0.08 -0.22 0.00 0.00 0.00 179.25 178.87 2x92 h LYS 38 N 0.49 0.69 -0.43 0.00 1.63 -1.15 0.46 116.57 118.27 2x92 h LYS 38 Ca 0.22 -0.26 -0.08 0.00 -0.85 0.00 0.00 60.65 59.68 2x92 h LYS 38 Cb 0.12 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 2x92 h LYS 38 CO -0.15 0.84 -0.06 0.00 -3.45 0.00 0.00 179.45 176.63 2x92 h ARG 39 N 0.49 0.73 -0.03 1.90 3.08 -1.04 -3.00 114.38 116.51 2x92 h ARG 39 Ca 0.09 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 2x92 h ARG 39 Cb 0.58 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2x92 h ARG 39 CO 0.03 0.79 -0.72 1.15 -1.07 0.00 0.00 179.97 180.15 2x92 h THR 40 N 0.67 1.45 -0.56 2.04 2.02 -0.68 -2.77 112.91 115.09 2x92 h THR 40 Ca 0.12 -2.29 0.08 0.00 0.77 0.00 0.00 66.41 65.10 2x92 h THR 40 Cb 0.51 2.23 -0.07 0.00 -1.74 0.00 0.00 68.15 69.08 2x92 h THR 40 CO 0.03 0.67 0.19 -1.13 0.37 0.00 0.00 175.52 175.65 2x92 h ASN 41 N 0.11 0.17 -0.50 4.18 -0.73 -0.79 0.81 115.58 118.84 2x92 h ASN 41 Ca -0.02 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 2x92 h ASN 41 Cb 1.27 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.90 2x92 h ASN 41 CO 0.11 0.12 0.19 0.58 -0.37 0.00 0.00 177.43 178.06 2x92 h VAL 42 N 0.36 1.21 -0.51 2.57 2.07 -1.39 -0.98 116.25 119.59 2x92 h VAL 42 Ca 0.28 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2x92 h VAL 42 Cb 0.33 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2x92 h VAL 42 CO -0.29 0.25 0.20 -0.08 0.02 0.00 0.00 177.57 177.68 2x92 h GLU 43 N 0.67 0.76 -0.76 1.57 4.81 -1.20 -2.68 114.58 117.75 2x92 h GLU 43 Ca 0.17 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2x92 h GLU 43 Cb 0.21 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2x92 h GLU 43 CO -0.01 0.67 0.25 1.15 -0.73 0.00 0.00 179.01 180.34 2x92 h THR 44 N 0.68 1.26 -0.65 0.32 2.02 -0.62 -1.08 112.91 114.84 2x92 h THR 44 Ca 0.17 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.45 2x92 h THR 44 Cb 0.19 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 2x92 h THR 44 CO -0.01 0.36 0.43 -0.33 0.37 0.00 0.00 175.52 176.33 2x92 h GLU 45 N 1.13 0.86 -0.62 6.66 4.39 -1.09 0.84 114.58 126.75 2x92 h GLU 45 Ca 0.25 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 2x92 h GLU 45 Cb 0.30 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2x92 h GLU 45 CO -0.01 0.57 0.26 0.00 -1.16 0.00 0.00 179.01 178.67 2x92 h ALA 46 N 1.24 0.80 -0.35 3.43 0.00 -1.13 -1.27 119.26 121.98 2x92 h ALA 46 Ca 0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2x92 h ALA 46 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2x92 h ALA 46 CO -0.05 0.40 -0.11 0.00 0.00 0.00 0.00 179.25 179.48 2x92 h ALA 47 N 1.10 1.15 -0.24 0.00 0.00 -0.82 -2.49 119.26 117.97 2x92 h ALA 47 Ca 0.21 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2x92 h ALA 47 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2x92 h ALA 47 CO -0.02 0.54 0.02 2.35 0.00 0.00 0.00 179.25 182.13 2x92 h TRP 48 N 0.56 0.46 -0.82 0.00 2.91 -0.56 -1.60 115.95 116.89 2x92 h TRP 48 Ca 0.10 -0.07 0.01 0.00 1.13 0.00 0.00 58.89 60.06 2x92 h TRP 48 Cb 0.52 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 29.01 2x92 h TRP 48 CO 0.02 0.57 0.54 0.00 -1.03 0.00 0.00 178.44 178.54 2x92 h ALA 49 N 0.83 1.43 -0.21 2.65 0.00 -1.10 -1.15 119.26 121.71 2x92 h ALA 49 Ca 0.07 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2x92 h ALA 49 Cb 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2x92 h ALA 49 CO 0.01 0.53 -0.47 -0.92 0.00 0.00 0.00 179.25 178.39 2x92 h TYR 50 N 1.09 0.87 0.00 0.00 3.20 -1.38 -2.53 116.97 118.22 2x92 h TYR 50 Ca 0.30 -0.33 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 2x92 h TYR 50 Cb -0.11 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2x92 h TYR 50 CO -0.00 1.11 -0.29 0.78 -1.64 0.00 0.00 178.16 178.13 2x92 h GLY 51 N 0.39 0.00 1.06 1.82 0.00 -0.85 -2.49 103.07 102.99 2x92 h GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2x92 h GLY 51 CO 0.10 0.00 -0.61 1.44 0.00 0.00 0.00 176.54 177.48 2x92 n SER 52 N -4.02 0.60 -2.85 0.19 7.64 -0.47 -1.40 113.62 113.31 2x92 n SER 52 Ca -0.02 -0.04 -0.03 0.00 1.01 0.00 0.00 58.87 59.80 2x92 n SER 52 Cb 0.35 0.24 0.01 0.00 -1.01 0.00 0.00 64.21 63.80 2x92 n SER 52 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2x92 s ASN 53 N -3.72 -1.27 -0.40 6.43 2.47 -0.96 -4.73 114.94 112.77 2x92 s ASN 53 Ca 0.08 -1.29 -0.29 0.00 0.42 0.00 0.00 52.86 51.78 2x92 s ASN 53 Cb 0.15 1.66 0.01 0.00 -1.45 0.00 0.00 41.25 41.62 2x92 s ASN 53 CO 0.72 -0.07 1.44 -0.63 -3.72 0.00 0.00 177.10 174.84 2x92 s ILE 54 N 1.14 3.88 0.08 -5.21 1.01 0.07 -4.41 121.20 117.75 2x92 s ILE 54 Ca 0.26 0.90 -0.03 0.00 0.00 0.00 0.00 60.65 61.78 2x92 s ILE 54 Cb 0.01 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 2x92 s ILE 54 CO -0.07 -0.70 0.04 0.42 0.00 0.00 0.00 174.94 174.63 2x92 s THR 55 N 5.49 0.18 0.38 2.92 -4.23 -1.26 -4.56 115.64 114.56 2x92 s THR 55 Ca 0.63 -1.70 0.08 0.00 -1.18 0.00 0.00 61.69 59.52 2x92 s THR 55 Cb -0.15 -1.59 0.18 0.00 1.34 0.00 0.00 72.50 72.28 2x92 s THR 55 CO 0.32 -0.82 1.94 0.44 -0.54 0.00 0.00 174.62 175.96 2x92 h ASP 56 N 3.00 0.32 -0.38 3.99 3.32 -1.99 -1.49 116.42 123.20 2x92 h ASP 56 Ca -0.34 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.58 2x92 h ASP 56 Cb 1.16 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 2x92 h ASP 56 CO 0.62 0.40 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.41 2x92 h GLU 57 N 0.34 0.71 -0.10 3.56 4.81 -1.97 -2.07 114.58 119.86 2x92 h GLU 57 Ca 0.08 -0.26 -0.17 0.00 -0.13 0.00 0.00 59.36 58.88 2x92 h GLU 57 Cb 0.27 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2x92 h GLU 57 CO 0.01 0.84 -0.65 -0.91 -0.73 0.00 0.00 179.01 177.57 2x92 h ASN 58 N 0.52 0.44 0.41 1.04 2.35 -1.83 -2.10 115.58 116.42 2x92 h ASN 58 Ca 0.10 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 2x92 h ASN 58 Cb 0.56 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2x92 h ASN 58 CO 0.03 0.97 -0.22 -0.08 -1.65 0.00 0.00 177.43 176.48 2x92 h GLU 59 N 0.27 -0.56 -0.57 0.81 4.81 -1.26 0.02 114.58 118.11 2x92 h GLU 59 Ca -0.01 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 2x92 h GLU 59 Cb 1.19 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.62 2x92 h GLU 59 CO 0.11 -0.37 0.14 -0.22 -0.73 0.00 0.00 179.01 177.93 2x92 h LYS 60 N -0.58 0.27 -0.32 1.92 3.64 -1.38 -0.05 116.57 120.07 2x92 h LYS 60 Ca -0.05 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2x92 h LYS 60 Cb 0.46 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2x92 h LYS 60 CO 0.08 0.18 0.13 0.87 -2.27 0.00 0.00 179.45 178.44 2x92 h LYS 61 N 0.28 0.48 -0.17 1.90 1.57 -1.24 -1.48 116.57 117.90 2x92 h LYS 61 Ca 0.29 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2x92 h LYS 61 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2x92 h LYS 61 CO -0.36 0.48 0.11 -0.22 -0.57 0.00 0.00 179.45 178.89 2x92 h LYS 62 N 0.37 0.22 0.00 3.15 3.64 -0.49 -2.49 116.57 120.97 2x92 h LYS 62 Ca 0.11 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2x92 h LYS 62 Cb 0.18 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2x92 h LYS 62 CO -0.01 0.16 -0.45 -0.91 -2.27 0.00 0.00 179.45 175.97 2x92 h ASN 63 N 0.22 0.00 0.12 4.20 2.35 -0.96 -2.38 115.58 119.12 2x92 h ASN 63 Ca 0.06 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.57 2x92 h ASN 63 Cb -0.01 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.37 2x92 h ASN 63 CO -0.01 0.45 -0.97 -0.33 -1.65 0.00 0.00 177.43 174.92 2x92 h GLU 64 N 0.00 0.59 -0.61 0.81 5.08 -1.18 -2.34 114.58 116.92 2x92 h GLU 64 Ca -0.00 -0.61 -0.04 0.00 -1.00 0.00 0.00 59.36 57.70 2x92 h GLU 64 Cb 0.87 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2x92 h GLU 64 CO 0.06 1.22 0.22 0.82 -1.00 0.00 0.00 179.01 180.33 2x92 h ILE 65 N 0.34 1.24 -0.52 3.13 1.08 -1.35 -2.44 117.51 118.99 2x92 h ILE 65 Ca -0.10 -0.77 -0.00 0.00 -0.39 0.00 0.00 64.86 63.60 2x92 h ILE 65 Cb 1.61 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 2x92 h ILE 65 CO 0.18 0.30 0.31 0.28 -0.69 0.00 0.00 178.15 178.53 2x92 h SER 66 N 0.86 0.63 -0.63 1.72 0.02 -1.41 -0.75 113.55 113.99 2x92 h SER 66 Ca 0.20 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2x92 h SER 66 Cb 0.24 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 2x92 h SER 66 CO -0.01 0.51 0.40 0.00 -1.14 0.00 0.00 176.83 176.59 2x92 h ALA 67 N 1.15 1.50 -0.32 3.77 0.00 -1.35 0.50 119.26 124.51 2x92 h ALA 67 Ca 0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2x92 h ALA 67 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2x92 h ALA 67 CO -0.03 0.45 -0.11 1.49 0.00 0.00 0.00 179.25 181.05 2x92 h GLU 68 N 0.88 0.64 -0.48 0.00 4.81 -0.90 -2.04 114.58 117.49 2x92 h GLU 68 Ca 0.23 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 2x92 h GLU 68 Cb -0.06 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2x92 h GLU 68 CO -0.05 0.84 -0.18 1.25 -0.73 0.00 0.00 179.01 180.14 2x92 h LEU 69 N 0.42 0.97 -0.60 1.64 5.85 -0.84 -2.70 115.31 120.04 2x92 h LEU 69 Ca 0.08 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.49 2x92 h LEU 69 Cb 0.62 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2x92 h LEU 69 CO 0.04 1.12 0.36 0.00 -0.34 0.00 0.00 178.44 179.61 2x92 h ALA 70 N 0.96 0.79 -0.87 1.25 0.00 -0.84 -0.95 119.26 119.59 2x92 h ALA 70 Ca 0.12 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2x92 h ALA 70 Cb 0.73 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2x92 h ALA 70 CO 0.06 0.07 0.56 -0.22 0.00 0.00 0.00 179.25 179.72 2x92 h LYS 71 N 0.69 1.05 -0.53 0.00 3.64 -1.25 -1.93 116.57 118.23 2x92 h LYS 71 Ca 0.25 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 2x92 h LYS 71 Cb 0.07 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2x92 h LYS 71 CO -0.13 0.69 -0.13 0.35 -2.27 0.00 0.00 179.45 177.97 2x92 h PHE 72 N 1.08 1.15 -0.94 1.91 3.57 -1.10 -3.02 116.94 119.59 2x92 h PHE 72 Ca 0.35 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2x92 h PHE 72 Cb 0.02 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.43 2x92 h PHE 72 CO -0.02 1.08 0.62 0.52 -2.23 0.00 0.00 178.31 178.27 2x92 h MET 73 N 0.90 1.24 -0.47 1.11 2.86 -0.76 -0.97 114.93 118.85 2x92 h MET 73 Ca 0.14 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2x92 h MET 73 Cb 0.70 -0.28 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2x92 h MET 73 CO 0.05 0.83 0.23 0.87 1.06 0.00 0.00 176.91 179.96 2x92 h LYS 74 N 1.28 0.45 -0.86 1.72 1.57 -1.27 0.29 116.57 119.76 2x92 h LYS 74 Ca 0.34 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2x92 h LYS 74 Cb -0.14 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.03 2x92 h LYS 74 CO -0.07 0.30 0.42 1.49 -0.57 0.00 0.00 179.45 181.02 2x92 h GLU 75 N 0.46 1.22 -0.04 3.15 4.81 -1.32 -0.11 114.58 122.77 2x92 h GLU 75 Ca 0.20 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2x92 h GLU 75 Cb 0.11 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2x92 h GLU 75 CO -0.14 0.93 0.01 0.28 -0.73 0.00 0.00 179.01 179.35 2x92 h VAL 76 N 1.22 1.22 -0.75 0.32 2.07 -0.56 0.36 116.25 120.13 2x92 h VAL 76 Ca 0.30 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.20 2x92 h VAL 76 Cb 0.10 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 2x92 h VAL 76 CO -0.04 0.18 0.48 0.00 0.02 0.00 0.00 177.57 178.20 2x92 h ALA 77 N 0.75 0.98 -0.90 1.67 0.00 -0.28 -1.52 119.26 119.96 2x92 h ALA 77 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2x92 h ALA 77 Cb 0.28 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2x92 h ALA 77 CO 0.00 0.28 0.50 1.03 0.00 0.00 0.00 179.25 181.06 2x92 h SER 78 N 0.93 1.12 0.77 0.00 0.87 -0.91 -2.89 113.55 113.44 2x92 h SER 78 Ca 0.30 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2x92 h SER 78 Cb 0.01 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 2x92 h SER 78 CO -0.11 0.90 -0.14 0.44 -0.53 0.00 0.00 176.83 177.39 2x92 h ASP 79 N 1.26 0.00 0.46 6.23 3.45 0.07 -2.93 116.42 124.95 2x92 h ASP 79 Ca 0.32 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.75 2x92 h ASP 79 Cb 0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.78 2x92 h ASP 79 CO -0.05 0.14 -0.12 0.71 -1.57 0.00 0.00 179.24 178.34 2x92 h THR 80 N 0.00 0.50 0.00 0.35 1.35 -1.16 -2.44 112.91 111.52 2x92 h THR 80 Ca -0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2x92 h THR 80 Cb 0.56 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2x92 h THR 80 CO 0.02 0.12 0.00 0.35 -0.25 0.00 0.00 175.52 175.76 2x92 n THR 81 N -3.55 0.71 0.42 6.82 -2.24 -1.11 -2.43 114.28 112.90 2x92 n THR 81 Ca -0.01 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 2x92 n THR 81 Cb 0.26 -0.91 0.30 0.00 -2.10 0.00 0.00 70.33 67.87 2x92 n THR 81 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2x92 h LYS 82 N 0.00 0.00 -5.59 -0.78 1.57 -1.61 -3.44 116.57 106.71 2x92 h LYS 82 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2x92 h LYS 82 Cb 0.47 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.68 2x92 h LYS 82 CO 0.00 0.00 -0.52 -0.06 -0.57 0.00 0.00 179.45 178.30 2x92 s PHE 83 N -3.16 3.43 -0.57 -1.35 0.08 -1.02 -5.00 117.98 110.39 2x92 s PHE 83 Ca 0.09 0.36 -0.07 0.00 0.12 0.00 0.00 56.93 57.42 2x92 s PHE 83 Cb 0.09 -1.96 -0.20 0.00 -0.57 0.00 0.00 43.02 40.37 2x92 s PHE 83 CO 0.63 0.53 3.36 1.04 -0.10 0.00 0.00 175.22 180.68 2x92 n GLN 84 N 2.49 2.57 0.03 0.44 1.13 -1.26 -4.73 117.38 118.05 2x92 n GLN 84 Ca -0.19 -1.41 0.02 0.00 -1.94 0.00 0.00 57.00 53.49 2x92 n GLN 84 Cb 0.54 -2.27 0.36 0.00 0.11 0.00 0.00 30.24 28.98 2x92 n GLN 84 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 2x92 h TRP 85 N 3.74 0.45 0.00 1.08 5.08 -1.95 -0.90 115.95 123.46 2x92 h TRP 85 Ca 0.43 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.37 2x92 h TRP 85 Cb 1.07 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 27.09 2x92 h TRP 85 CO 1.82 0.43 0.00 0.00 -1.28 0.00 0.00 178.44 179.40 2x92 h ARG 86 N 0.44 0.00 -0.00 0.12 3.08 -1.96 -2.12 114.38 113.94 2x92 h ARG 86 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2x92 h ARG 86 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2x92 h ARG 86 CO 0.00 0.00 -0.28 0.43 -1.07 0.00 0.00 179.97 179.05 2x92 n SER 87 N -2.73 0.77 -4.79 7.04 7.64 -0.34 -4.98 113.62 116.23 2x92 n SER 87 Ca -0.00 -0.63 -0.32 0.00 1.01 0.00 0.00 58.87 58.93 2x92 n SER 87 Cb 0.17 0.11 0.06 0.00 -1.01 0.00 0.00 64.21 63.54 2x92 n SER 87 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2x92 s TYR 88 N -2.64 2.78 0.01 1.43 2.02 -0.80 -4.99 117.35 115.17 2x92 s TYR 88 Ca 0.21 1.51 -0.13 0.00 -0.37 0.00 0.00 57.07 58.30 2x92 s TYR 88 Cb 0.19 -3.02 -0.34 0.00 -0.40 0.00 0.00 41.96 38.39 2x92 s TYR 88 CO 0.56 -1.54 0.92 1.96 -1.57 0.00 0.00 175.55 175.88 2x92 h GLN 89 N -0.60 0.47 -6.21 -0.62 1.08 -1.94 -3.45 115.11 103.85 2x92 h GLN 89 Ca -0.45 -0.81 -0.57 0.00 -1.45 0.00 0.00 58.65 55.38 2x92 h GLN 89 Cb 1.23 0.30 -0.05 0.00 -0.05 0.00 0.00 27.48 28.91 2x92 h GLN 89 CO 0.54 1.38 0.92 0.45 -0.95 0.00 0.00 178.83 181.17 2x92 s SER 90 N -7.45 6.87 0.28 1.46 0.15 -1.26 -4.91 113.70 108.84 2x92 s SER 90 Ca -0.10 1.51 -0.03 0.00 0.70 0.00 0.00 55.95 58.03 2x92 s SER 90 Cb 0.05 -2.54 0.37 0.00 -1.71 0.00 0.00 66.02 62.19 2x92 s SER 90 CO 0.91 -0.85 1.94 -0.33 1.20 0.00 0.00 173.24 176.11 2x92 h GLU 91 N 8.49 1.15 -0.35 5.44 4.39 -2.00 -2.31 114.58 129.39 2x92 h GLU 91 Ca -0.26 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.36 2x92 h GLU 91 Cb 1.10 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 2x92 h GLU 91 CO 0.99 0.78 0.22 0.22 -1.16 0.00 0.00 179.01 180.06 2x92 h ASP 92 N 1.18 0.42 -0.44 1.42 3.58 -1.94 0.07 116.42 120.72 2x92 h ASP 92 Ca 0.31 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.66 2x92 h ASP 92 Cb -0.10 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 2x92 h ASP 92 CO -0.06 0.34 0.06 -0.07 -2.88 0.00 0.00 179.24 176.63 2x92 h LEU 93 N 0.46 0.71 -0.73 2.28 3.38 -1.93 -2.15 115.31 117.34 2x92 h LEU 93 Ca 0.13 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2x92 h LEU 93 Cb -0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2x92 h LEU 93 CO -0.02 0.80 0.47 0.11 0.09 0.00 0.00 178.44 179.89 2x92 h LYS 94 N 0.60 0.91 -0.79 1.13 1.57 -1.23 -1.53 116.57 117.23 2x92 h LYS 94 Ca 0.13 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2x92 h LYS 94 Cb 0.40 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2x92 h LYS 94 CO 0.01 0.60 0.38 -0.09 -0.57 0.00 0.00 179.45 179.78 2x92 h ARG 95 N 0.94 1.13 -0.23 3.15 2.43 -0.82 -0.67 114.38 120.30 2x92 h ARG 95 Ca 0.28 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2x92 h ARG 95 Cb -0.03 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 2x92 h ARG 95 CO -0.09 0.88 0.05 1.96 -1.51 0.00 0.00 179.97 181.26 2x92 h GLN 96 N 1.11 0.38 -0.92 0.20 4.20 -0.99 -1.44 115.11 117.65 2x92 h GLN 96 Ca 0.27 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2x92 h GLN 96 Cb 0.12 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2x92 h GLN 96 CO -0.03 0.50 0.59 0.74 -0.67 0.00 0.00 178.83 179.95 2x92 h PHE 97 N 0.20 1.18 -0.82 2.96 0.04 -1.11 -2.36 116.94 117.02 2x92 h PHE 97 Ca 0.07 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 2x92 h PHE 97 Cb 0.30 -0.39 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 2x92 h PHE 97 CO 0.02 0.76 0.42 -0.22 -0.60 0.00 0.00 178.31 178.69 2x92 h LYS 98 N 1.25 1.17 -0.72 1.51 3.64 -0.98 -1.69 116.57 120.76 2x92 h LYS 98 Ca 0.33 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2x92 h LYS 98 Cb -0.11 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.45 2x92 h LYS 98 CO -0.07 0.88 0.47 0.00 -2.27 0.00 0.00 179.45 178.47 2x92 h ALA 99 N 1.22 1.70 0.00 5.00 0.00 -0.79 -2.37 119.26 124.02 2x92 h ALA 99 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2x92 h ALA 99 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2x92 h ALA 99 CO -0.04 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.68 2x92 n LEU 100 N -4.48 0.00 0.04 0.00 4.77 -0.66 -2.67 117.00 114.00 2x92 n LEU 100 Ca 0.10 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 2x92 n LEU 100 Cb 0.22 -0.49 0.32 0.00 -2.33 0.00 0.00 43.42 41.14 2x92 n LEU 100 CO 0.34 -0.08 0.58 0.35 -1.33 0.00 0.00 177.39 177.25 2x92 n THR 101 N -1.49 0.21 -2.92 -5.08 -2.24 -0.89 -4.23 114.28 97.62 2x92 n THR 101 Ca 0.06 -0.13 -0.44 0.00 -2.27 0.00 0.00 64.05 61.27 2x92 n THR 101 Cb 0.28 -0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.35 2x92 n THR 101 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2x92 s LYS 102 N -3.07 3.93 0.23 -0.78 1.02 -1.09 -4.83 119.74 115.15 2x92 s LYS 102 Ca 0.10 -2.30 0.00 0.00 0.02 0.00 0.00 55.97 53.79 2x92 s LYS 102 Cb 0.16 -5.04 0.23 0.00 -0.52 0.00 0.00 37.83 32.66 2x92 s LYS 102 CO 0.66 -1.79 1.58 -0.07 -0.92 0.00 0.00 175.35 174.81 2x92 h LEU 103 N 10.06 0.49 0.00 3.17 3.38 -1.87 -3.49 115.31 127.05 2x92 h LEU 103 Ca 0.27 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2x92 h LEU 103 Cb 0.92 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2x92 h LEU 103 CO 1.21 0.89 0.00 0.61 0.09 0.00 0.00 178.44 181.25 2x92 n GLY 104 N 0.07 3.37 0.29 0.83 0.00 -1.26 -2.25 105.19 106.24 2x92 n GLY 104 Ca -0.02 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.92 2x92 n GLY 104 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2x92 h TYR 105 N 0.00 0.00 0.00 1.61 0.05 -1.94 -2.37 116.97 114.32 2x92 h TYR 105 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2x92 h TYR 105 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2x92 h TYR 105 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 2x92 n ALA 106 N -2.49 1.39 0.24 3.88 0.00 -0.95 -1.38 120.51 121.19 2x92 n ALA 106 Ca -0.01 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2x92 n ALA 106 Cb 0.17 -1.11 0.38 0.00 0.00 0.00 0.00 19.45 18.90 2x92 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x92 h ALA 107 N 2.27 0.98 -2.89 0.00 0.00 -1.59 -3.43 119.26 114.60 2x92 h ALA 107 Ca 0.00 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.34 2x92 h ALA 107 Cb 0.09 -0.01 0.10 0.00 0.00 0.00 0.00 17.79 17.97 2x92 h ALA 107 CO 0.00 0.06 0.59 -0.51 0.00 0.00 0.00 179.25 179.39 2x92 s LEU 108 N -6.26 4.03 0.60 0.00 1.43 -0.48 -4.98 118.68 113.02 2x92 s LEU 108 Ca 0.04 2.64 -0.18 0.00 -1.03 0.00 0.00 54.13 55.59 2x92 s LEU 108 Cb 0.07 -4.11 -0.05 0.00 0.03 0.00 0.00 46.19 42.12 2x92 s LEU 108 CO 0.62 -1.15 0.88 -2.65 0.23 0.00 0.00 176.35 174.28 2x92 n PRO 109 N -0.45 0.81 -0.34 1.29 -0.02 -1.26 -4.55 135.00 130.47 2x92 n PRO 109 Ca 0.07 0.32 -0.02 0.00 -2.02 0.00 0.00 63.50 61.84 2x92 n PRO 109 Cb 0.45 -2.07 0.03 0.00 -0.02 0.00 0.00 33.50 31.89 2x92 n PRO 109 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2x92 h GLU 110 N 0.42 -0.04 -0.80 -0.52 4.81 -1.96 -0.11 114.58 116.39 2x92 h GLU 110 Ca -0.48 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 2x92 h GLU 110 Cb 1.37 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.73 2x92 h GLU 110 CO 0.50 -0.03 0.32 -0.44 -0.73 0.00 0.00 179.01 178.63 2x92 h ASP 111 N -0.04 1.09 -0.33 1.04 3.32 -2.00 -2.09 116.42 117.41 2x92 h ASP 111 Ca 0.32 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 2x92 h ASP 111 Cb 0.58 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2x92 h ASP 111 CO -0.92 0.97 -0.26 0.44 -1.72 0.00 0.00 179.24 177.75 2x92 h ASP 112 N 1.16 0.87 -0.45 6.45 3.32 -1.46 -1.87 116.42 124.44 2x92 h ASP 112 Ca 0.27 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2x92 h ASP 112 Cb 0.21 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2x92 h ASP 112 CO -0.02 1.08 0.22 0.22 -1.72 0.00 0.00 179.24 179.02 2x92 h TYR 113 N 0.72 0.65 -0.94 4.55 3.20 -0.91 -1.31 116.97 122.93 2x92 h TYR 113 Ca 0.09 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2x92 h TYR 113 Cb 0.81 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 2x92 h TYR 113 CO 0.05 0.52 0.57 0.00 -1.64 0.00 0.00 178.16 177.66 2x92 h ALA 114 N 1.06 1.24 -0.57 1.82 0.00 -1.26 -1.19 119.26 120.37 2x92 h ALA 114 Ca 0.15 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2x92 h ALA 114 Cb 0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2x92 h ALA 114 CO -0.02 0.66 -0.06 1.49 0.00 0.00 0.00 179.25 181.31 2x92 h GLU 115 N 1.30 1.04 -0.48 0.00 4.81 -1.16 -1.87 114.58 118.22 2x92 h GLU 115 Ca 0.34 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2x92 h GLU 115 Cb -0.07 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2x92 h GLU 115 CO -0.06 1.05 0.08 1.25 -0.73 0.00 0.00 179.01 180.59 2x92 h LEU 116 N 0.93 0.76 -0.65 1.64 5.85 -0.82 -0.70 115.31 122.32 2x92 h LEU 116 Ca 0.15 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2x92 h LEU 116 Cb 0.63 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2x92 h LEU 116 CO 0.04 0.82 0.43 -0.07 -0.34 0.00 0.00 178.44 179.32 2x92 h LEU 117 N 0.66 0.74 -1.05 2.25 3.38 -1.15 0.99 115.31 121.13 2x92 h LEU 117 Ca 0.14 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2x92 h LEU 117 Cb 0.39 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2x92 h LEU 117 CO 0.01 0.54 0.24 0.44 0.09 0.00 0.00 178.44 179.76 2x92 h ASP 118 N 0.87 0.84 -0.27 -0.43 3.45 -1.16 -1.73 116.42 118.00 2x92 h ASP 118 Ca 0.24 -0.12 -0.06 0.00 0.43 0.00 0.00 57.03 57.52 2x92 h ASP 118 Cb -0.10 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.45 2x92 h ASP 118 CO -0.05 0.76 -0.06 0.74 -1.57 0.00 0.00 179.24 179.06 2x92 h THR 119 N 0.90 1.28 -0.44 0.35 2.02 -0.52 -2.05 112.91 114.46 2x92 h THR 119 Ca 0.21 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 2x92 h THR 119 Cb 0.19 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2x92 h THR 119 CO -0.02 0.34 0.14 -0.07 0.37 0.00 0.00 175.52 176.28 2x92 h LEU 120 N 0.27 0.63 -0.86 2.58 3.38 -0.64 -2.24 115.31 118.42 2x92 h LEU 120 Ca 0.07 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2x92 h LEU 120 Cb 0.53 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2x92 h LEU 120 CO 0.03 0.66 -0.56 0.77 0.09 0.00 0.00 178.44 179.43 2x92 h SER 121 N 0.56 0.03 -0.79 -0.43 4.64 -1.37 -1.43 113.55 114.76 2x92 h SER 121 Ca 0.14 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2x92 h SER 121 Cb 0.25 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 2x92 h SER 121 CO -0.01 0.58 0.33 0.00 -0.87 0.00 0.00 176.83 176.87 2x92 h ALA 122 N 1.42 1.02 -0.08 5.18 0.00 -1.19 -1.38 119.26 124.24 2x92 h ALA 122 Ca -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2x92 h ALA 122 Cb 0.99 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2x92 h ALA 122 CO 0.07 0.63 -0.23 0.52 0.00 0.00 0.00 179.25 180.25 2x92 h MET 123 N 1.14 0.30 -0.49 0.00 2.07 -1.17 -2.35 114.93 114.43 2x92 h MET 123 Ca 0.26 -0.21 -0.10 0.00 -2.07 0.00 0.00 59.70 57.58 2x92 h MET 123 Cb 0.20 0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.94 2x92 h MET 123 CO -0.02 0.83 -0.09 1.49 1.07 0.00 0.00 176.91 180.19 2x92 h GLU 124 N -0.19 0.88 -0.13 1.72 4.81 -1.28 -2.33 114.58 118.06 2x92 h GLU 124 Ca -0.01 -0.29 -0.17 0.00 -0.13 0.00 0.00 59.36 58.75 2x92 h GLU 124 Cb 0.85 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2x92 h GLU 124 CO 0.05 0.93 -0.64 0.66 -0.73 0.00 0.00 179.01 179.28 2x92 h SER 125 N 0.80 0.57 -0.22 1.04 4.64 -1.33 -1.57 113.55 117.47 2x92 h SER 125 Ca 0.13 -0.34 0.03 0.00 -0.47 0.00 0.00 61.79 61.15 2x92 h SER 125 Cb 0.60 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 2x92 h SER 125 CO 0.04 1.07 0.02 -1.13 -0.87 0.00 0.00 176.83 175.96 2x92 h ASN 126 N 0.36 -0.04 -0.44 4.97 -0.73 -1.33 -1.38 115.58 117.01 2x92 h ASN 126 Ca -0.01 0.04 0.03 0.00 1.87 0.00 0.00 56.30 58.23 2x92 h ASN 126 Cb 1.20 0.07 -0.04 0.00 0.27 0.00 0.00 38.32 39.82 2x92 h ASN 126 CO 0.12 0.01 0.23 0.15 -0.37 0.00 0.00 177.43 177.56 2x92 h PHE 127 N 0.10 0.42 0.00 0.67 3.57 -1.29 -2.68 116.94 117.73 2x92 h PHE 127 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2x92 h PHE 127 Cb 0.12 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2x92 h PHE 127 CO -0.17 0.22 -0.05 0.00 -2.23 0.00 0.00 178.31 176.08 2x92 h ALA 128 N 1.23 1.02 -0.44 2.41 0.00 -1.04 -3.01 119.26 119.43 2x92 h ALA 128 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2x92 h ALA 128 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2x92 h ALA 128 CO -0.12 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.82 2x92 n LYS 129 N -3.17 2.47 -1.76 0.00 5.02 -0.54 -4.71 118.16 115.46 2x92 n LYS 129 Ca 0.00 -2.25 -0.42 0.00 -2.02 0.00 0.00 58.31 53.62 2x92 n LYS 129 Cb 0.32 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 2x92 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2x92 s VAL 130 N -1.21 2.47 -0.02 -0.18 1.01 -1.06 -5.00 120.40 116.40 2x92 s VAL 130 Ca 0.36 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.49 2x92 s VAL 130 Cb 0.20 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.51 2x92 s VAL 130 CO 0.28 0.00 -0.07 -0.54 0.00 0.00 0.00 175.10 174.77 2x92 s LYS 131 N 2.20 0.77 0.31 2.72 -0.14 -1.26 -4.30 119.74 120.04 2x92 s LYS 131 Ca 0.78 -0.22 0.11 0.00 -1.36 0.00 0.00 55.97 55.27 2x92 s LYS 131 Cb -0.46 -0.74 -0.06 0.00 -1.68 0.00 0.00 37.83 34.89 2x92 s LYS 131 CO 0.34 0.07 -0.13 0.14 -0.76 0.00 0.00 175.35 175.01 2x92 s VAL 132 N 0.28 2.42 0.30 3.17 -7.23 -0.07 -4.88 120.40 114.39 2x92 s VAL 132 Ca -0.04 -2.27 -0.18 0.00 -1.81 0.00 0.00 61.98 57.68 2x92 s VAL 132 Cb -0.08 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 2x92 s VAL 132 CO 0.00 -0.30 0.77 0.00 -0.31 0.00 0.00 175.10 175.27 2x92 s ASP 134 N -2.01 6.40 0.29 0.00 2.15 0.58 -4.90 116.67 119.17 2x92 s ASP 134 Ca 0.51 2.92 -0.00 0.00 0.43 0.00 0.00 52.55 56.40 2x92 s ASP 134 Cb -0.13 -2.63 0.48 0.00 -0.30 0.00 0.00 42.92 40.34 2x92 s ASP 134 CO 0.18 -0.90 1.90 0.22 -0.17 0.00 0.00 175.17 176.40 2x92 h TYR 135 N 5.03 1.11 -0.00 -5.34 3.20 -1.96 -2.78 116.97 116.23 2x92 h TYR 135 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2x92 h TYR 135 Cb 1.22 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2x92 h TYR 135 CO 0.59 0.58 -0.63 1.63 -1.64 0.00 0.00 178.16 178.69 2x92 n LYS 136 N -4.49 0.15 -3.32 1.82 5.02 -1.26 -4.78 118.16 111.30 2x92 n LYS 136 Ca 0.14 -0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 2x92 n LYS 136 Cb 0.19 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 2x92 n LYS 136 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2x92 s ASP 137 N -2.92 0.51 0.00 4.39 2.15 -1.05 -5.00 116.67 114.75 2x92 s ASP 137 Ca 0.12 -0.79 0.14 0.00 0.43 0.00 0.00 52.55 52.44 2x92 s ASP 137 Cb 0.17 0.99 0.74 0.00 -0.30 0.00 0.00 42.92 44.53 2x92 s ASP 137 CO 0.73 -0.31 1.31 -1.54 -0.17 0.00 0.00 175.17 175.19 2x92 n SER 138 N 4.94 0.00 -0.02 -0.34 3.41 -1.24 -1.75 113.62 118.62 2x92 n SER 138 Ca 0.04 -0.13 -0.17 0.00 -0.26 0.00 0.00 58.87 58.36 2x92 n SER 138 Cb 0.49 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 64.18 2x92 n SER 138 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2x92 h THR 139 N 0.00 1.35 -2.98 6.66 2.02 -1.94 -3.43 112.91 114.59 2x92 h THR 139 Ca 0.00 -1.92 -0.60 0.00 0.77 0.00 0.00 66.41 64.66 2x92 h THR 139 Cb 0.07 2.22 -0.12 0.00 -1.74 0.00 0.00 68.15 68.58 2x92 h THR 139 CO 0.00 0.58 0.63 -0.75 0.37 0.00 0.00 175.52 176.35 2x92 s LYS 140 N -3.61 3.27 -0.28 6.66 2.20 -0.72 -4.89 119.74 122.38 2x92 s LYS 140 Ca -0.12 -0.37 0.10 0.00 -0.36 0.00 0.00 55.97 55.21 2x92 s LYS 140 Cb 0.06 -4.11 0.47 0.00 -1.51 0.00 0.00 37.83 32.74 2x92 s LYS 140 CO 0.85 -1.64 1.18 0.00 -0.36 0.00 0.00 175.35 175.38 2x92 n ASP 142 N -0.70 2.61 -4.57 0.00 5.75 -1.24 -4.40 116.55 114.00 2x92 n ASP 142 Ca 0.38 -3.86 -0.42 0.00 -0.01 0.00 0.00 54.79 50.88 2x92 n ASP 142 Cb 0.94 -0.48 -0.07 0.00 -1.03 0.00 0.00 41.12 40.48 2x92 n ASP 142 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2x92 s LEU 143 N -3.33 4.27 0.43 -2.12 1.02 -0.98 -4.91 118.68 113.05 2x92 s LEU 143 Ca 0.42 0.13 -0.01 0.00 0.02 0.00 0.00 54.13 54.68 2x92 s LEU 143 Cb 0.38 -2.76 -0.02 0.00 0.02 0.00 0.00 46.19 43.81 2x92 s LEU 143 CO -0.04 -0.58 0.67 0.00 0.02 0.00 0.00 176.35 176.42 2x92 s ALA 144 N 2.67 3.62 0.13 4.21 0.00 -1.26 -0.89 121.76 130.23 2x92 s ALA 144 Ca 0.24 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 2x92 s ALA 144 Cb -0.15 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 2x92 s ALA 144 CO 0.15 -0.27 1.70 1.25 0.00 0.00 0.00 175.76 178.58 2x92 h LEU 145 N 0.45 -0.26 -8.32 0.00 5.85 -1.95 -0.85 115.31 110.23 2x92 h LEU 145 Ca -0.48 0.06 -0.69 0.00 0.84 0.00 0.00 57.88 57.62 2x92 h LEU 145 Cb 1.23 0.14 -0.26 0.00 0.37 0.00 0.00 40.66 42.14 2x92 h LEU 145 CO 0.60 -0.10 -0.58 -0.62 -0.34 0.00 0.00 178.44 177.39 2x92 s ASP 146 N -5.15 5.38 0.00 1.25 -1.08 -1.26 -1.31 116.67 114.49 2x92 s ASP 146 Ca -0.14 -0.93 0.16 0.00 -0.52 0.00 0.00 52.55 51.12 2x92 s ASP 146 Cb 0.10 -1.92 -0.07 0.00 -1.46 0.00 0.00 42.92 39.57 2x92 s ASP 146 CO 0.68 -0.29 0.79 -0.81 0.52 0.00 0.00 175.17 176.06 2x92 n PRO 147 N 4.88 1.71 0.20 4.34 -0.04 -1.26 -4.99 135.00 139.85 2x92 n PRO 147 Ca -0.13 -0.49 -0.15 0.00 -0.04 0.00 0.00 63.50 62.70 2x92 n PRO 147 Cb 0.46 -1.27 -0.08 0.00 -0.04 0.00 0.00 33.50 32.57 2x92 n PRO 147 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2x92 h GLU 148 N 1.09 -0.47 -0.37 0.54 3.07 -1.45 -0.96 114.58 116.03 2x92 h GLU 148 Ca 0.00 0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.76 2x92 h GLU 148 Cb 0.48 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 2x92 h GLU 148 CO 0.00 -0.22 -0.30 0.82 -1.40 0.00 0.00 179.01 177.91 2x92 h ILE 149 N -0.63 1.28 -0.20 3.13 2.04 -1.05 -2.84 117.51 119.24 2x92 h ILE 149 Ca -0.05 -1.46 -0.04 0.00 1.00 0.00 0.00 64.86 64.31 2x92 h ILE 149 Cb 0.46 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2x92 h ILE 149 CO 0.08 0.48 -0.06 -0.33 0.00 0.00 0.00 178.15 178.33 2x92 h GLU 150 N 0.66 0.30 -0.07 2.37 5.08 -1.19 -0.72 114.58 121.02 2x92 h GLU 150 Ca 0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2x92 h GLU 150 Cb 0.88 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2x92 h GLU 150 CO 0.08 0.38 0.04 1.49 -1.00 0.00 0.00 179.01 180.00 2x92 h GLU 151 N 0.29 0.09 -0.12 2.33 4.81 -0.98 -1.20 114.58 119.80 2x92 h GLU 151 Ca 0.06 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2x92 h GLU 151 Cb 0.30 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2x92 h GLU 151 CO 0.01 0.11 0.03 0.28 -0.73 0.00 0.00 179.01 178.71 2x92 h VAL 152 N 0.05 1.19 -0.88 0.32 2.07 -1.22 -1.23 116.25 116.56 2x92 h VAL 152 Ca 0.02 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.03 2x92 h VAL 152 Cb 0.04 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2x92 h VAL 152 CO -0.00 0.18 0.57 0.40 0.02 0.00 0.00 177.57 178.73 2x92 h ILE 153 N -0.01 1.01 0.00 4.57 1.08 -1.12 0.90 117.51 123.94 2x92 h ILE 153 Ca 0.04 -0.31 -0.19 0.00 -0.39 0.00 0.00 64.86 64.00 2x92 h ILE 153 Cb 0.25 0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 33.98 2x92 h ILE 153 CO 0.00 0.17 -0.92 0.77 -0.69 0.00 0.00 178.15 177.47 2x92 h SER 154 N 0.92 0.00 0.00 1.72 4.64 -1.04 -3.38 113.55 116.41 2x92 h SER 154 Ca 0.39 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.44 2x92 h SER 154 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 2x92 h SER 154 CO -0.16 0.92 -2.03 0.29 -0.87 0.00 0.00 176.83 174.98 2x92 n LYS 155 N -3.33 0.54 -2.14 4.77 5.02 -0.48 -4.81 118.16 117.73 2x92 n LYS 155 Ca 0.00 0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 2x92 n LYS 155 Cb 0.91 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 34.53 2x92 n LYS 155 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2x92 s SER 156 N -5.68 6.81 -0.23 4.39 0.15 0.28 -4.93 113.70 114.49 2x92 s SER 156 Ca -0.23 2.62 0.11 0.00 0.70 0.00 0.00 55.95 59.15 2x92 s SER 156 Cb 0.06 -2.64 0.44 0.00 -1.71 0.00 0.00 66.02 62.17 2x92 s SER 156 CO 0.43 -0.53 1.30 0.54 1.20 0.00 0.00 173.24 176.18 2x92 n ARG 157 N 1.24 1.69 -3.41 5.44 5.12 -1.26 -4.92 116.66 120.55 2x92 n ARG 157 Ca 0.01 -3.18 -0.44 0.00 -1.93 0.00 0.00 57.85 52.32 2x92 n ARG 157 Cb 0.42 -1.68 -0.08 0.00 -1.16 0.00 0.00 32.46 29.96 2x92 n ARG 157 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2x92 s ASP 158 N -2.93 6.08 0.47 0.55 -1.08 -1.26 -4.98 116.67 113.52 2x92 s ASP 158 Ca 0.40 -1.39 0.14 0.00 -0.52 0.00 0.00 52.55 51.17 2x92 s ASP 158 Cb 0.37 -2.16 1.08 0.00 -1.46 0.00 0.00 42.92 40.75 2x92 s ASP 158 CO -0.03 -0.65 2.07 1.12 0.52 0.00 0.00 175.17 178.19 2x92 h HIS 159 N 8.72 0.10 -0.00 -5.34 2.07 -1.97 -0.73 115.15 117.99 2x92 h HIS 159 Ca -0.28 -0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.04 2x92 h HIS 159 Cb 1.11 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 31.04 2x92 h HIS 159 CO 0.64 0.14 -0.86 0.93 -3.07 0.00 0.00 177.93 175.71 2x92 h GLU 160 N 0.10 0.22 -0.02 5.12 5.08 -1.99 -1.52 114.58 121.57 2x92 h GLU 160 Ca 0.02 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2x92 h GLU 160 Cb 0.13 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2x92 h GLU 160 CO 0.01 0.95 0.00 1.49 -1.00 0.00 0.00 179.01 180.46 2x92 h GLU 161 N 0.12 0.03 -0.74 2.33 4.81 -1.77 -2.06 114.58 117.30 2x92 h GLU 161 Ca -0.04 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.25 2x92 h GLU 161 Cb 1.48 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 2x92 h GLU 161 CO 0.13 0.27 0.41 -0.07 -0.73 0.00 0.00 179.01 179.03 2x92 h LEU 162 N -0.22 0.60 -0.83 1.64 3.38 -1.17 -2.18 115.31 116.53 2x92 h LEU 162 Ca 0.01 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2x92 h LEU 162 Cb 0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2x92 h LEU 162 CO 0.00 0.36 0.24 0.00 0.09 0.00 0.00 178.44 179.14 2x92 h ALA 163 N 1.40 1.05 0.11 1.53 0.00 -1.24 -1.27 119.26 120.84 2x92 h ALA 163 Ca 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2x92 h ALA 163 Cb 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2x92 h ALA 163 CO -0.22 0.65 -0.05 -0.92 0.00 0.00 0.00 179.25 178.71 2x92 h TYR 164 N 1.08 -0.13 -0.15 0.00 3.20 -0.79 -1.65 116.97 118.52 2x92 h TYR 164 Ca 0.24 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 2x92 h TYR 164 Cb 0.27 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2x92 h TYR 164 CO 0.02 -0.05 -0.29 1.88 -1.64 0.00 0.00 178.16 178.08 2x92 h TYR 165 N -0.17 0.32 0.21 -3.82 0.05 -1.28 -1.50 116.97 110.78 2x92 h TYR 165 Ca -0.01 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 2x92 h TYR 165 Cb 0.14 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.80 2x92 h TYR 165 CO -0.06 0.55 -0.10 2.35 -1.05 0.00 0.00 178.16 179.85 2x92 h TRP 166 N 0.26 -0.26 -0.47 4.88 7.01 -1.09 -2.00 115.95 124.28 2x92 h TRP 166 Ca 0.04 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 2x92 h TRP 166 Cb 0.64 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.77 2x92 h TRP 166 CO 0.01 -0.13 0.13 -0.09 -2.79 0.00 0.00 178.44 175.57 2x92 h ARG 167 N -0.33 0.74 -0.36 2.65 2.43 -1.05 -1.46 114.38 117.00 2x92 h ARG 167 Ca -0.03 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 2x92 h ARG 167 Cb 0.25 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2x92 h ARG 167 CO 0.05 0.72 0.17 0.93 -1.51 0.00 0.00 179.97 180.33 2x92 h GLU 168 N 0.62 0.52 -0.15 0.20 4.39 -1.29 -1.84 114.58 117.03 2x92 h GLU 168 Ca 0.15 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2x92 h GLU 168 Cb 0.30 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2x92 h GLU 168 CO -0.00 0.47 0.02 0.35 -1.16 0.00 0.00 179.01 178.70 2x92 h PHE 169 N 0.44 0.26 -0.44 4.33 3.57 -1.23 -2.86 116.94 121.01 2x92 h PHE 169 Ca 0.12 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 2x92 h PHE 169 Cb 0.13 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2x92 h PHE 169 CO -0.01 0.42 -0.03 1.88 -2.23 0.00 0.00 178.31 178.34 2x92 h TYR 170 N 0.03 0.78 -0.47 0.41 -1.99 -1.23 0.74 116.97 115.24 2x92 h TYR 170 Ca 0.05 -0.11 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 2x92 h TYR 170 Cb 0.30 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 2x92 h TYR 170 CO 0.02 0.75 0.16 -0.44 -0.00 0.00 0.00 178.16 178.65 2x92 h ASP 171 N 0.68 0.63 0.13 3.88 3.32 -1.34 -0.49 116.42 123.22 2x92 h ASP 171 Ca 0.13 -0.08 -0.35 0.00 0.02 0.00 0.00 57.03 56.75 2x92 h ASP 171 Cb 0.47 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2x92 h ASP 171 CO 0.02 0.59 -1.91 0.11 -1.72 0.00 0.00 179.24 176.33 2x92 h LYS 172 N 0.68 0.27 0.00 3.56 1.57 -1.19 -3.12 116.57 118.34 2x92 h LYS 172 Ca 0.16 -0.46 -0.26 0.00 -1.87 0.00 0.00 60.65 58.22 2x92 h LYS 172 Cb 0.18 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 2x92 h LYS 172 CO -0.01 1.22 -1.44 0.00 -0.57 0.00 0.00 179.45 178.65 2x92 h ALA 173 N 0.04 0.60 -1.61 3.86 0.00 -0.96 -3.38 119.26 117.81 2x92 h ALA 173 Ca -0.41 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.26 2x92 h ALA 173 Cb 2.00 0.24 0.00 0.00 0.00 0.00 0.00 17.79 20.02 2x92 h ALA 173 CO 0.08 1.44 0.00 0.41 0.00 0.00 0.00 179.25 181.19 2x92 n GLY 174 N 1.48 -0.19 0.37 0.00 0.00 -0.21 -3.78 105.19 102.86 2x92 n GLY 174 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 2x92 n GLY 174 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x92 h THR 175 N 0.00 0.81 0.00 2.61 2.02 -0.84 -2.36 112.91 115.15 2x92 h THR 175 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2x92 h THR 175 Cb 0.00 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 2x92 h THR 175 CO 0.00 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.01 2x92 h ALA 176 N 1.60 1.00 -0.16 6.16 0.00 -1.72 -2.75 119.26 123.39 2x92 h ALA 176 Ca 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 2x92 h ALA 176 Cb 0.77 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2x92 h ALA 176 CO -0.22 0.00 -0.14 1.33 0.00 0.00 0.00 179.25 180.22 2x92 n VAL 177 N -3.03 2.24 0.12 0.00 0.24 -0.89 -4.79 118.33 112.23 2x92 n VAL 177 Ca -0.02 -2.55 -0.13 0.00 -2.04 0.00 0.00 64.34 59.60 2x92 n VAL 177 Cb 0.10 -0.27 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 2x92 n VAL 177 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2x92 h ARG 178 N 0.90 -0.40 -0.68 7.34 2.43 -1.61 -0.25 114.38 122.12 2x92 h ARG 178 Ca 0.06 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2x92 h ARG 178 Cb 1.29 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.89 2x92 h ARG 178 CO 0.16 -0.26 0.33 0.66 -1.51 0.00 0.00 179.97 179.35 2x92 h SER 179 N -0.41 0.87 -0.53 -3.80 4.64 -1.86 -0.52 113.55 111.93 2x92 h SER 179 Ca 0.02 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.15 2x92 h SER 179 Cb 0.42 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2x92 h SER 179 CO -0.10 0.73 -0.03 1.56 -0.87 0.00 0.00 176.83 178.13 2x92 h GLN 180 N 0.96 0.96 -0.73 4.77 7.50 -1.87 -2.73 115.11 123.98 2x92 h GLN 180 Ca 0.24 -0.32 -0.06 0.00 0.50 0.00 0.00 58.65 59.00 2x92 h GLN 180 Cb 0.09 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 27.51 2x92 h GLN 180 CO -0.03 0.99 0.23 0.35 -1.50 0.00 0.00 178.83 178.87 2x92 h PHE 181 N 0.84 1.17 -0.55 2.96 3.57 -0.35 -1.77 116.94 122.80 2x92 h PHE 181 Ca 0.15 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.55 2x92 h PHE 181 Cb 0.58 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2x92 h PHE 181 CO 0.04 0.92 0.35 0.93 -2.23 0.00 0.00 178.31 178.33 2x92 h GLU 182 N 1.09 0.68 -0.55 1.11 5.08 -1.02 -1.28 114.58 119.70 2x92 h GLU 182 Ca 0.24 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2x92 h GLU 182 Cb 0.30 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2x92 h GLU 182 CO -0.01 0.45 0.03 -0.09 -1.00 0.00 0.00 179.01 178.39 2x92 h ARG 183 N 0.70 0.92 -0.53 2.33 9.65 -1.25 -2.37 114.38 123.83 2x92 h ARG 183 Ca 0.21 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2x92 h ARG 183 Cb -0.03 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 2x92 h ARG 183 CO -0.07 0.89 0.33 -0.92 2.80 0.00 0.00 179.97 183.01 2x92 h TYR 184 N 0.86 0.68 -0.50 2.20 3.20 -1.01 -1.26 116.97 121.14 2x92 h TYR 184 Ca 0.17 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.05 2x92 h TYR 184 Cb 0.47 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2x92 h TYR 184 CO 0.03 0.45 0.32 0.28 -1.64 0.00 0.00 178.16 177.60 2x92 h VAL 185 N 0.71 1.09 -0.28 1.81 2.07 -1.03 0.13 116.25 120.76 2x92 h VAL 185 Ca 0.19 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2x92 h VAL 185 Cb -0.04 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 2x92 h VAL 185 CO -0.04 0.12 0.08 -0.33 0.02 0.00 0.00 177.57 177.42 2x92 h GLU 186 N 0.64 0.20 -0.03 1.57 5.08 -1.19 -1.52 114.58 119.33 2x92 h GLU 186 Ca 0.19 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 2x92 h GLU 186 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2x92 h GLU 186 CO -0.07 0.13 -0.79 -0.07 -1.00 0.00 0.00 179.01 177.22 2x92 h LEU 187 N 0.20 0.34 -0.82 1.33 3.38 -1.02 -1.66 115.31 117.06 2x92 h LEU 187 Ca 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2x92 h LEU 187 Cb 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2x92 h LEU 187 CO -0.14 1.00 0.39 -1.13 0.09 0.00 0.00 178.44 178.65 2x92 h ASN 188 N 0.17 1.08 -0.38 -0.43 -0.73 -0.67 -1.09 115.58 113.54 2x92 h ASN 188 Ca -0.04 -0.14 -0.06 0.00 1.87 0.00 0.00 56.30 57.94 2x92 h ASN 188 Cb 1.38 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.67 2x92 h ASN 188 CO 0.13 0.91 0.02 0.74 -0.37 0.00 0.00 177.43 178.86 2x92 h THR 189 N 1.17 1.25 -0.68 -3.57 2.02 -1.13 -1.75 112.91 110.23 2x92 h THR 189 Ca 0.28 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.52 2x92 h THR 189 Cb 0.13 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2x92 h THR 189 CO -0.03 0.32 0.44 0.50 0.37 0.00 0.00 175.52 177.12 2x92 h LYS 190 N 0.48 0.86 -0.39 6.66 3.64 -1.13 -1.76 116.57 124.93 2x92 h LYS 190 Ca 0.11 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2x92 h LYS 190 Cb 0.44 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2x92 h LYS 190 CO 0.02 0.57 0.11 0.00 -2.27 0.00 0.00 179.45 177.87 2x92 h ALA 191 N 1.27 0.52 -0.39 5.00 0.00 -1.10 -1.71 119.26 122.85 2x92 h ALA 191 Ca 0.26 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2x92 h ALA 191 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2x92 h ALA 191 CO -0.07 0.18 0.20 0.00 0.00 0.00 0.00 179.25 179.56 2x92 h ALA 192 N 0.95 0.48 -0.30 0.00 0.00 -1.07 -2.36 119.26 116.96 2x92 h ALA 192 Ca 0.12 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2x92 h ALA 192 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2x92 h ALA 192 CO -0.00 -0.16 -0.26 0.87 0.00 0.00 0.00 179.25 179.71 2x92 h LYS 193 N 0.41 0.59 0.00 0.00 1.57 -1.21 -1.01 116.57 116.92 2x92 h LYS 193 Ca 0.16 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2x92 h LYS 193 Cb 0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 2x92 h LYS 193 CO -0.10 0.79 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.45 2x92 h LEU 194 N 0.52 0.00 -1.46 2.94 3.38 -1.04 0.12 115.31 119.76 2x92 h LEU 194 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2x92 h LEU 194 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2x92 h LEU 194 CO 0.05 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.22 2x92 n ASN 195 N -3.93 2.19 -1.39 -0.43 3.02 -0.62 -4.95 115.26 109.14 2x92 n ASN 195 Ca -0.03 -1.82 -0.16 0.00 -0.03 0.00 0.00 54.58 52.54 2x92 n ASN 195 Cb 0.14 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 39.09 2x92 n ASN 195 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2x92 n ASN 196 N 0.67 -4.85 -4.88 6.41 3.02 0.41 -5.03 115.26 111.00 2x92 n ASN 196 Ca 0.17 0.27 -0.30 0.00 -0.03 0.00 0.00 54.58 54.69 2x92 n ASN 196 Cb 0.40 -3.81 -0.03 0.00 -0.61 0.00 0.00 39.78 35.73 2x92 n ASN 196 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2x92 s PHE 197 N -2.65 3.49 0.22 3.10 0.08 -0.48 -4.98 117.98 116.76 2x92 s PHE 197 Ca 0.00 0.99 -0.06 0.00 0.12 0.00 0.00 56.93 57.98 2x92 s PHE 197 Cb 0.00 -2.40 0.19 0.00 -0.57 0.00 0.00 43.02 40.24 2x92 s PHE 197 CO 0.00 -0.12 1.72 1.15 -0.10 0.00 0.00 175.22 177.87 2x92 h THR 198 N 0.98 1.26 -2.91 0.64 2.02 -1.95 -3.25 112.91 109.69 2x92 h THR 198 Ca -0.47 -1.02 0.01 0.00 0.77 0.00 0.00 66.41 65.70 2x92 h THR 198 Cb 1.19 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2x92 h THR 198 CO 0.64 0.38 0.35 -0.94 0.37 0.00 0.00 175.52 176.31 2x92 s SER 199 N -6.55 0.03 0.52 4.18 1.04 -1.26 -4.76 113.70 106.90 2x92 s SER 199 Ca -0.11 -1.10 0.34 0.00 0.48 0.00 0.00 55.95 55.55 2x92 s SER 199 Cb 0.15 0.79 1.50 0.00 0.10 0.00 0.00 66.02 68.55 2x92 s SER 199 CO 0.84 -1.58 2.00 1.23 0.98 0.00 0.00 173.24 176.71 2x92 h GLY 200 N 2.00 0.00 0.86 7.32 0.00 -1.80 -2.40 103.07 109.04 2x92 h GLY 200 Ca -0.32 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2x92 h GLY 200 CO 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.93 2x92 h ALA 201 N 2.04 -0.08 -0.27 3.60 0.00 -1.89 -1.35 119.26 121.31 2x92 h ALA 201 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2x92 h ALA 201 Cb 0.37 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2x92 h ALA 201 CO 0.00 -0.47 -0.22 0.93 0.00 0.00 0.00 179.25 179.49 2x92 h GLU 202 N -0.22 0.51 -0.36 0.00 3.07 -1.88 -1.19 114.58 114.52 2x92 h GLU 202 Ca -0.01 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.66 2x92 h GLU 202 Cb 0.19 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 2x92 h GLU 202 CO 0.01 0.70 0.18 0.00 -1.40 0.00 0.00 179.01 178.50 2x92 h ALA 203 N 1.32 0.46 -0.75 3.43 0.00 -1.39 -1.35 119.26 120.97 2x92 h ALA 203 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2x92 h ALA 203 Cb 0.63 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2x92 h ALA 203 CO 0.04 0.00 0.44 -1.49 0.00 0.00 0.00 179.25 178.25 2x92 h TRP 204 N 0.45 1.00 0.00 0.00 6.55 -0.98 -3.04 115.95 119.92 2x92 h TRP 204 Ca 0.12 -0.01 -0.06 0.00 0.95 0.00 0.00 58.89 59.90 2x92 h TRP 204 Cb 0.09 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.06 2x92 h TRP 204 CO -0.02 0.68 -0.27 -0.07 -1.05 0.00 0.00 178.44 177.71 2x92 h LEU 205 N 1.03 0.00 -1.83 -4.49 3.38 -0.99 -2.91 115.31 109.49 2x92 h LEU 205 Ca 0.27 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.37 2x92 h LEU 205 Cb -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2x92 h LEU 205 CO -0.05 0.27 0.40 -0.78 0.09 0.00 0.00 178.44 178.37 2x92 h ASP 206 N 0.00 0.16 0.00 -0.43 3.58 -1.12 -1.34 116.42 117.27 2x92 h ASP 206 Ca -0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2x92 h ASP 206 Cb 0.76 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2x92 h ASP 206 CO 0.04 0.09 0.02 -0.33 -2.88 0.00 0.00 179.24 176.18 2x92 h GLU 207 N 0.18 0.00 -0.02 0.28 4.39 -1.65 -2.14 114.58 115.62 2x92 h GLU 207 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2x92 h GLU 207 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2x92 h GLU 207 CO -0.04 0.00 -0.30 0.66 -1.16 0.00 0.00 179.01 178.17 2x92 n TYR 208 N -2.83 0.00 -3.97 4.33 4.01 -0.51 -4.61 117.16 113.58 2x92 n TYR 208 Ca -0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.46 2x92 n TYR 208 Cb 0.08 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.08 2x92 n TYR 208 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2x92 n GLU 209 N 0.35 -3.12 -3.15 -0.72 1.02 -0.81 -4.91 120.64 109.30 2x92 n GLU 209 Ca 0.11 0.39 0.04 0.00 -0.02 0.00 0.00 57.16 57.68 2x92 n GLU 209 Cb 0.49 -4.46 -0.01 0.00 -0.02 0.00 0.00 31.44 27.44 2x92 n GLU 209 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2x92 s ASP 210 N -4.36 -1.26 0.04 1.62 3.68 -1.26 -5.01 116.67 110.12 2x92 s ASP 210 Ca 0.01 0.73 0.14 0.00 2.13 0.00 0.00 52.55 55.56 2x92 s ASP 210 Cb -0.00 2.03 0.60 0.00 -1.45 0.00 0.00 42.92 44.09 2x92 s ASP 210 CO 0.89 -0.23 1.44 -0.90 0.13 0.00 0.00 175.17 176.50 2x92 n ASP 211 N 5.43 0.11 -0.99 -0.34 5.75 -1.26 -2.14 116.55 123.11 2x92 n ASP 211 Ca -0.01 0.53 0.08 0.00 -0.01 0.00 0.00 54.79 55.38 2x92 n ASP 211 Cb 0.52 -0.55 0.26 0.00 -1.03 0.00 0.00 41.12 40.31 2x92 n ASP 211 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2x92 n THR 212 N -1.62 2.02 -0.26 2.12 -2.24 -1.26 -4.75 114.28 108.29 2x92 n THR 212 Ca 0.03 -1.59 -0.06 0.00 -2.27 0.00 0.00 64.05 60.16 2x92 n THR 212 Cb 0.15 -0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.37 2x92 n THR 212 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2x92 h PHE 213 N 2.24 0.98 -0.12 4.78 3.57 -1.84 -1.49 116.94 125.06 2x92 h PHE 213 Ca 0.00 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.50 2x92 h PHE 213 Cb 1.34 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 2x92 h PHE 213 CO 0.52 0.69 -0.00 0.93 -2.23 0.00 0.00 178.31 178.22 2x92 h GLU 214 N 0.98 0.04 -0.78 1.11 5.08 -1.85 -2.41 114.58 116.75 2x92 h GLU 214 Ca 0.25 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2x92 h GLU 214 Cb 0.04 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2x92 h GLU 214 CO -0.04 0.03 0.42 0.37 -1.00 0.00 0.00 179.01 178.78 2x92 h GLN 215 N 0.04 1.10 -0.73 2.33 5.75 -1.85 -1.29 115.11 120.47 2x92 h GLN 215 Ca 0.06 -0.14 0.07 0.00 -0.15 0.00 0.00 58.65 58.49 2x92 h GLN 215 Cb 0.07 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 28.35 2x92 h GLN 215 CO -0.10 0.83 0.41 1.96 -2.65 0.00 0.00 178.83 179.28 2x92 h GLN 216 N 1.09 0.72 -0.29 1.69 4.20 -1.09 -0.52 115.11 120.91 2x92 h GLN 216 Ca 0.27 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.81 2x92 h GLN 216 Cb 0.05 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 2x92 h GLN 216 CO -0.04 0.48 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.18 2x92 h LEU 217 N 0.74 0.81 -0.56 1.46 3.38 -1.03 -1.75 115.31 118.37 2x92 h LEU 217 Ca 0.33 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.90 2x92 h LEU 217 Cb 0.23 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2x92 h LEU 217 CO -0.20 1.14 0.17 -0.33 0.09 0.00 0.00 178.44 179.31 2x92 h GLU 218 N 0.50 0.32 -0.28 1.13 4.39 -0.81 0.26 114.58 120.11 2x92 h GLU 218 Ca 0.04 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2x92 h GLU 218 Cb 0.93 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2x92 h GLU 218 CO 0.08 0.21 0.11 -0.44 -1.16 0.00 0.00 179.01 177.82 2x92 h ASP 219 N 0.33 0.38 -0.41 1.42 5.19 -0.99 -0.19 116.42 122.16 2x92 h ASP 219 Ca 0.28 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 2x92 h ASP 219 Cb 0.35 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 2x92 h ASP 219 CO -0.31 0.44 0.08 0.40 -3.12 0.00 0.00 179.24 176.73 2x92 h ILE 220 N 0.30 1.24 -0.89 0.35 2.04 -1.04 -2.85 117.51 116.66 2x92 h ILE 220 Ca 0.09 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.13 2x92 h ILE 220 Cb 0.18 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2x92 h ILE 220 CO -0.01 0.29 0.58 0.15 0.00 0.00 0.00 178.15 179.16 2x92 h PHE 221 N 0.52 1.13 -0.27 1.37 3.57 -0.32 -2.30 116.94 120.64 2x92 h PHE 221 Ca 0.13 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2x92 h PHE 221 Cb 0.34 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2x92 h PHE 221 CO 0.02 0.72 0.11 0.00 -2.23 0.00 0.00 178.31 176.93 2x92 h ALA 222 N 1.32 1.69 -0.23 2.41 0.00 -0.89 0.38 119.26 123.94 2x92 h ALA 222 Ca 0.33 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 2x92 h ALA 222 Cb -0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2x92 h ALA 222 CO -0.07 0.25 -0.46 -0.44 0.00 0.00 0.00 179.25 178.54 2x92 h ASP 223 N 0.38 0.63 1.04 0.00 3.32 -1.19 -3.28 116.42 117.32 2x92 h ASP 223 Ca 0.10 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 2x92 h ASP 223 Cb 0.08 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2x92 h ASP 223 CO -0.01 0.99 -1.01 0.40 -1.72 0.00 0.00 179.24 177.90 2x92 h ILE 224 N 0.47 0.32 -0.67 0.35 1.08 -1.18 -3.40 117.51 114.49 2x92 h ILE 224 Ca 0.03 -1.57 0.13 0.00 -0.39 0.00 0.00 64.86 63.06 2x92 h ILE 224 Cb 0.98 1.89 -0.09 0.00 -3.07 0.00 0.00 36.82 36.53 2x92 h ILE 224 CO 0.09 0.18 0.18 -0.09 -0.69 0.00 0.00 178.15 177.82 2x92 h ARG 225 N 0.00 0.30 -0.32 2.37 2.43 -0.99 -1.70 114.38 116.48 2x92 h ARG 225 Ca -0.07 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2x92 h ARG 225 Cb 1.29 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 2x92 h ARG 225 CO 0.03 0.20 0.18 -1.35 -1.51 0.00 0.00 179.97 177.52 2x92 h PRO 226 N 0.31 0.42 -0.66 0.20 0.11 -1.77 -0.26 132.00 130.36 2x92 h PRO 226 Ca 0.36 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.36 2x92 h PRO 226 Cb 0.55 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 2x92 h PRO 226 CO -0.42 0.30 0.10 1.25 -0.21 0.00 0.00 178.00 179.02 2x92 h LEU 227 N 0.43 1.04 -0.62 2.35 5.85 -1.60 -2.56 115.31 120.20 2x92 h LEU 227 Ca 0.11 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2x92 h LEU 227 Cb -0.01 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2x92 h LEU 227 CO -0.02 1.03 0.36 0.22 -0.34 0.00 0.00 178.44 179.69 2x92 h TYR 228 N 1.01 0.84 -0.94 1.25 3.20 -0.76 -2.15 116.97 119.43 2x92 h TYR 228 Ca 0.20 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.11 2x92 h TYR 228 Cb 0.44 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 2x92 h TYR 228 CO 0.03 0.59 0.61 1.96 -1.64 0.00 0.00 178.16 179.72 2x92 h GLN 229 N 0.85 1.10 -0.38 1.82 1.08 -1.03 0.12 115.11 118.68 2x92 h GLN 229 Ca 0.22 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.27 2x92 h GLN 229 Cb 0.02 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 2x92 h GLN 229 CO -0.04 0.73 -0.11 1.96 -0.95 0.00 0.00 178.83 180.42 2x92 h GLN 230 N 1.14 0.75 -0.14 1.46 1.08 -1.13 -0.27 115.11 117.99 2x92 h GLN 230 Ca 0.39 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 2x92 h GLN 230 Cb 0.09 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2x92 h GLN 230 CO -0.13 0.90 0.04 0.82 -0.95 0.00 0.00 178.83 179.51 2x92 h ILE 231 N 0.55 1.19 -0.33 2.54 2.04 -0.89 -1.50 117.51 121.11 2x92 h ILE 231 Ca 0.09 -0.59 0.07 0.00 1.00 0.00 0.00 64.86 65.43 2x92 h ILE 231 Cb 0.63 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 2x92 h ILE 231 CO 0.04 0.18 -0.08 -0.74 0.00 0.00 0.00 178.15 177.55 2x92 h HIS 232 N 0.04 -0.17 -0.29 1.37 2.76 -0.73 -0.73 115.15 117.40 2x92 h HIS 232 Ca 0.04 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.26 2x92 h HIS 232 Cb 0.24 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 2x92 h HIS 232 CO 0.00 -0.14 0.15 0.78 -1.30 0.00 0.00 177.93 177.43 2x92 h GLY 233 N 0.00 0.39 0.99 5.26 0.00 -0.89 -1.06 103.07 107.77 2x92 h GLY 233 Ca 0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 2x92 h GLY 233 CO -0.33 0.10 0.12 -1.82 0.00 0.00 0.00 176.54 174.60 2x92 h TYR 234 N 0.32 0.89 -0.43 5.60 5.03 -1.06 -1.74 116.97 125.59 2x92 h TYR 234 Ca 0.12 -0.11 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 2x92 h TYR 234 Cb 0.02 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.03 2x92 h TYR 234 CO -0.09 0.79 0.16 0.28 -1.32 0.00 0.00 178.16 177.97 2x92 h VAL 235 N 0.74 1.21 -0.66 1.81 2.07 -0.88 -0.89 116.25 119.64 2x92 h VAL 235 Ca 0.16 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2x92 h VAL 235 Cb 0.35 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2x92 h VAL 235 CO 0.00 0.24 0.41 -0.09 0.02 0.00 0.00 177.57 178.16 2x92 h ARG 236 N 0.55 0.78 -0.39 1.57 2.43 -1.14 0.52 114.38 118.70 2x92 h ARG 236 Ca 0.14 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2x92 h ARG 236 Cb 0.22 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 2x92 h ARG 236 CO -0.01 0.52 0.18 0.35 -1.51 0.00 0.00 179.97 179.49 2x92 h PHE 237 N 0.80 0.33 -0.19 2.20 3.57 -0.96 -1.79 116.94 120.90 2x92 h PHE 237 Ca 0.27 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.65 2x92 h PHE 237 Cb 0.03 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 2x92 h PHE 237 CO -0.05 0.16 -0.47 0.00 -2.23 0.00 0.00 178.31 175.72 2x92 h ARG 238 N 0.37 0.49 -0.23 1.11 2.47 -0.71 -2.97 114.38 114.91 2x92 h ARG 238 Ca 0.17 -0.27 -0.09 0.00 -1.26 0.00 0.00 59.98 58.53 2x92 h ARG 238 Cb 0.10 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2x92 h ARG 238 CO -0.13 0.86 -0.23 -0.07 0.56 0.00 0.00 179.97 180.96 2x92 h LEU 239 N 0.39 0.43 -1.01 3.04 3.38 -0.73 -2.67 115.31 118.14 2x92 h LEU 239 Ca 0.02 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2x92 h LEU 239 Cb 0.98 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2x92 h LEU 239 CO 0.09 0.66 0.65 0.03 0.09 0.00 0.00 178.44 179.97 2x92 h ARG 240 N 0.39 1.32 0.00 1.13 3.08 -1.17 0.19 114.38 119.31 2x92 h ARG 240 Ca 0.06 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2x92 h ARG 240 Cb 0.62 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2x92 h ARG 240 CO 0.04 0.88 -0.36 0.87 -1.07 0.00 0.00 179.97 180.34 2x92 h LYS 241 N 1.36 0.00 0.00 0.04 1.57 -1.39 0.21 116.57 118.35 2x92 h LYS 241 Ca 0.36 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.04 2x92 h LYS 241 Cb -0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2x92 h LYS 241 CO -0.08 0.36 -0.60 1.25 -0.57 0.00 0.00 179.45 179.81 2x92 h HIS 242 N 0.00 0.00 0.00 -1.35 2.76 -1.10 -3.41 115.15 112.05 2x92 h HIS 242 Ca -0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 2x92 h HIS 242 Cb 0.81 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.76 2x92 h HIS 242 CO 0.00 1.13 -1.62 0.66 -1.30 0.00 0.00 177.93 176.79 2x92 n TYR 243 N -4.54 0.41 0.00 5.26 4.01 0.61 -5.10 117.16 117.81 2x92 n TYR 243 Ca -0.19 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2x92 n TYR 243 Cb 0.54 -0.72 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 2x92 n TYR 243 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x92 n GLY 244 N 1.26 -0.22 0.10 2.72 0.00 0.73 -4.50 105.19 105.28 2x92 n GLY 244 Ca -0.04 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.40 2x92 n GLY 244 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x92 n ASP 245 N -1.08 0.62 0.11 1.61 9.92 -1.26 -2.07 116.55 124.40 2x92 n ASP 245 Ca 0.00 0.61 -0.01 0.00 -0.53 0.00 0.00 54.79 54.86 2x92 n ASP 245 Cb 0.00 -0.76 0.24 0.00 -0.64 0.00 0.00 41.12 39.96 2x92 n ASP 245 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2x92 h ALA 246 N 2.41 1.15 0.10 2.24 0.00 -1.95 -3.33 119.26 119.87 2x92 h ALA 246 Ca 0.00 -0.41 -0.37 0.00 0.00 0.00 0.00 54.91 54.13 2x92 h ALA 246 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2x92 h ALA 246 CO 0.00 0.58 -2.10 0.28 0.00 0.00 0.00 179.25 178.01 2x92 n VAL 247 N -4.03 1.72 -3.97 0.00 0.31 -1.00 -4.89 118.33 106.48 2x92 n VAL 247 Ca -0.02 -0.64 -0.29 0.00 -0.01 0.00 0.00 64.34 63.39 2x92 n VAL 247 Cb 0.47 -1.67 -0.17 0.00 -0.91 0.00 0.00 33.84 31.57 2x92 n VAL 247 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2x92 s VAL 248 N -2.55 1.36 0.44 2.52 1.01 -0.88 -4.84 120.40 117.46 2x92 s VAL 248 Ca -0.25 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 2x92 s VAL 248 Cb 0.07 -1.35 -0.07 0.00 0.00 0.00 0.00 36.38 35.03 2x92 s VAL 248 CO 0.73 0.35 0.84 -0.94 0.00 0.00 0.00 175.10 176.08 2x92 s SER 249 N 1.56 6.54 0.23 3.32 1.04 -1.26 -4.18 113.70 120.95 2x92 s SER 249 Ca 0.04 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.73 2x92 s SER 249 Cb -0.13 -2.38 0.25 0.00 0.10 0.00 0.00 66.02 63.86 2x92 s SER 249 CO -0.09 -0.47 1.60 -0.08 0.98 0.00 0.00 173.24 175.18 2x92 h GLU 250 N 1.10 0.48 -0.00 4.02 4.81 -1.95 -3.35 114.58 119.69 2x92 h GLU 250 Ca -0.47 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 2x92 h GLU 250 Cb 1.19 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2x92 h GLU 250 CO 0.63 0.83 -0.43 0.25 -0.73 0.00 0.00 179.01 179.56 2x92 n THR 251 N -4.01 0.00 -2.82 0.32 -2.24 -1.26 -4.86 114.28 99.41 2x92 n THR 251 Ca -0.02 -0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.28 2x92 n THR 251 Cb 0.53 1.00 0.04 0.00 -2.10 0.00 0.00 70.33 69.80 2x92 n THR 251 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2x92 s GLY 252 N -1.86 1.85 0.66 3.38 0.00 -1.26 -1.17 107.32 108.92 2x92 s GLY 252 Ca 0.04 -1.61 -0.17 0.00 0.00 0.00 0.00 44.72 42.97 2x92 s GLY 252 CO 0.38 -1.30 1.26 -4.14 0.00 0.00 0.00 173.10 169.29 2x92 s PRO 253 N -4.65 2.52 0.03 2.90 0.02 -1.26 -4.78 135.00 129.78 2x92 s PRO 253 Ca 0.58 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 63.26 2x92 s PRO 253 Cb -0.09 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 2x92 s PRO 253 CO 0.37 -1.59 1.28 0.42 -0.33 0.00 0.00 177.00 177.15 2x92 s ILE 254 N -1.55 3.88 -0.12 2.83 1.01 -0.22 -4.75 121.20 122.27 2x92 s ILE 254 Ca 0.80 1.31 -0.30 0.00 0.00 0.00 0.00 60.65 62.46 2x92 s ILE 254 Cb -0.35 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 2x92 s ILE 254 CO 0.40 0.05 2.10 -2.65 0.00 0.00 0.00 174.94 174.84 2x92 n PRO 255 N 4.57 2.26 0.27 2.79 -0.02 -1.26 -1.48 135.00 142.12 2x92 n PRO 255 Ca 0.11 0.73 0.16 0.00 -2.02 0.00 0.00 63.50 62.48 2x92 n PRO 255 Cb 0.45 -3.05 0.71 0.00 -0.02 0.00 0.00 33.50 31.59 2x92 n PRO 255 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x92 h MET 256 N 12.70 0.00 0.00 -0.52 -0.00 -1.11 -2.67 114.93 123.32 2x92 h MET 256 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.26 2x92 h MET 256 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 2x92 h MET 256 CO 0.96 0.06 0.00 -2.39 -0.00 0.00 0.00 176.91 175.54 2x92 n HIS 257 N -3.23 0.00 0.90 -0.10 1.44 -1.26 -2.58 115.22 110.39 2x92 n HIS 257 Ca -0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 2x92 n HIS 257 Cb 0.29 -0.30 0.22 0.00 0.12 0.00 0.00 29.99 30.33 2x92 n HIS 257 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2x92 n LEU 258 N -1.30 2.80 -1.15 2.39 4.77 -1.01 -4.42 117.00 119.09 2x92 n LEU 258 Ca 0.09 -1.04 0.11 0.00 -0.03 0.00 0.00 56.01 55.14 2x92 n LEU 258 Cb 0.15 -0.08 0.26 0.00 -2.33 0.00 0.00 43.42 41.42 2x92 n LEU 258 CO 0.14 0.52 0.73 0.18 -1.33 0.00 0.00 177.39 177.63 2x92 n LEU 259 N 1.13 3.40 0.00 2.23 4.77 -1.07 -4.94 117.00 122.52 2x92 n LEU 259 Ca 0.16 -1.57 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 2x92 n LEU 259 Cb 0.54 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2x92 n LEU 259 CO 0.15 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2x92 n GLY 260 N 1.51 0.45 3.33 -0.72 0.00 -1.26 -4.36 105.19 104.15 2x92 n GLY 260 Ca 0.21 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 2x92 n GLY 260 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x92 s ASN 261 N -2.47 -0.47 0.55 1.61 3.84 -1.26 -4.14 114.94 112.60 2x92 s ASN 261 Ca 0.00 0.89 0.21 0.00 0.21 0.00 0.00 52.86 54.18 2x92 s ASN 261 Cb 0.00 0.89 1.49 0.00 -0.55 0.00 0.00 41.25 43.08 2x92 s ASN 261 CO 0.00 -0.16 2.19 -0.03 -2.79 0.00 0.00 177.10 176.31 2x92 h MET 262 N 5.61 0.00 -0.04 0.43 1.85 -1.92 -2.55 114.93 118.31 2x92 h MET 262 Ca -0.28 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.81 2x92 h MET 262 Cb 1.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.21 2x92 h MET 262 CO 0.23 0.00 0.00 0.91 -0.40 0.00 0.00 176.91 177.65 2x92 n TRP 263 N -4.27 0.05 -2.49 1.39 8.01 -1.26 -4.99 117.44 113.88 2x92 n TRP 263 Ca -0.03 -0.14 -0.18 0.00 -1.31 0.00 0.00 57.50 55.84 2x92 n TRP 263 Cb 0.09 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.31 29.37 2x92 n TRP 263 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2x92 n ALA 264 N 0.14 -0.71 0.14 6.99 0.00 -0.96 -4.88 120.51 121.22 2x92 n ALA 264 Ca 0.03 0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.66 2x92 n ALA 264 Cb 0.17 -2.12 0.03 0.00 0.00 0.00 0.00 19.45 17.53 2x92 n ALA 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2x92 h GLN 265 N -0.13 0.00 -3.39 0.00 3.07 -1.92 -3.45 115.11 109.28 2x92 h GLN 265 Ca -0.43 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.09 2x92 h GLN 265 Cb 1.32 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 28.59 2x92 h GLN 265 CO 0.50 0.39 -0.59 -0.65 0.09 0.00 0.00 178.83 178.57 2x92 s GLN 266 N -3.01 0.12 0.00 0.06 -0.21 -1.26 -3.23 119.66 112.12 2x92 s GLN 266 Ca 0.03 0.23 0.10 0.00 0.02 0.00 0.00 55.36 55.74 2x92 s GLN 266 Cb 0.07 -0.02 0.27 0.00 1.00 0.00 0.00 33.01 34.33 2x92 s GLN 266 CO 0.74 -0.07 1.22 0.91 -2.12 0.00 0.00 175.29 175.97 2x92 n TRP 267 N 3.43 0.41 0.32 0.91 8.01 -0.17 -4.42 117.44 125.92 2x92 n TRP 267 Ca -0.17 -0.48 0.21 0.00 -1.31 0.00 0.00 57.50 55.74 2x92 n TRP 267 Cb 0.57 -0.03 1.07 0.00 -2.01 0.00 0.00 31.31 30.91 2x92 n TRP 267 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2x92 h SER 268 N 1.84 0.00 0.92 -0.99 4.64 -1.83 -1.80 113.55 116.33 2x92 h SER 268 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x92 h SER 268 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2x92 h SER 268 CO 0.00 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.63 2x92 h GLU 269 N 0.00 0.00 -0.57 4.77 4.39 -1.84 -2.58 114.58 118.75 2x92 h GLU 269 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2x92 h GLU 269 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2x92 h GLU 269 CO 0.00 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.29 2x92 n ILE 270 N -2.79 1.62 -0.18 3.13 -5.35 -0.68 -4.61 119.36 110.51 2x92 n ILE 270 Ca 0.01 -1.21 0.13 0.00 -0.27 0.00 0.00 62.75 61.41 2x92 n ILE 270 Cb 0.28 0.21 0.45 0.00 -1.74 0.00 0.00 39.64 38.84 2x92 n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x92 h ALA 271 N 3.55 1.98 0.00 -1.28 0.00 -1.56 -1.59 119.26 120.35 2x92 h ALA 271 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x92 h ALA 271 Cb 1.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2x92 h ALA 271 CO 0.16 -0.17 -0.00 0.38 0.00 0.00 0.00 179.25 179.62 2x92 h ASP 272 N 0.52 0.00 0.00 0.00 2.03 -1.84 -1.11 116.42 116.02 2x92 h ASP 272 Ca 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 2x92 h ASP 272 Cb 0.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 2x92 h ASP 272 CO -0.13 0.00 -0.63 2.30 -1.03 0.00 0.00 179.24 179.75 2x92 n ILE 273 N -3.09 0.00 0.03 4.15 -5.35 -0.63 -4.60 119.36 109.88 2x92 n ILE 273 Ca -0.01 -0.20 0.01 0.00 -0.27 0.00 0.00 62.75 62.28 2x92 n ILE 273 Cb 0.21 0.98 0.01 0.00 -1.74 0.00 0.00 39.64 39.10 2x92 n ILE 273 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2x92 n VAL 274 N -1.32 0.33 -2.06 7.28 0.24 -1.01 -4.82 118.33 116.96 2x92 n VAL 274 Ca 0.02 -0.66 -0.41 0.00 -2.04 0.00 0.00 64.34 61.25 2x92 n VAL 274 Cb 0.20 0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 33.41 2x92 n VAL 274 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2x92 s SER 275 N -0.41 6.71 0.31 -1.34 1.04 -0.44 -4.92 113.70 114.65 2x92 s SER 275 Ca 0.02 2.64 0.06 0.00 0.48 0.00 0.00 55.95 59.16 2x92 s SER 275 Cb 0.01 -2.63 0.76 0.00 0.10 0.00 0.00 66.02 64.26 2x92 s SER 275 CO 0.02 -0.64 1.77 -0.65 0.98 0.00 0.00 173.24 174.73 2x92 h PRO 276 N 4.60 0.72 -2.94 4.02 0.11 -1.90 -3.32 132.00 133.28 2x92 h PRO 276 Ca -0.47 -0.04 -0.61 0.00 0.11 0.00 0.00 66.00 64.99 2x92 h PRO 276 Cb 1.22 -0.16 -0.40 0.00 0.11 0.00 0.00 31.00 31.77 2x92 h PRO 276 CO 0.74 0.48 -0.74 -0.06 -0.21 0.00 0.00 178.00 178.21 2x92 s PHE 277 N -5.85 2.07 0.01 0.65 0.08 -1.26 -4.99 117.98 108.69 2x92 s PHE 277 Ca -0.11 -2.52 0.31 0.00 0.12 0.00 0.00 56.93 54.73 2x92 s PHE 277 Cb 0.25 -1.89 1.48 0.00 -0.57 0.00 0.00 43.02 42.30 2x92 s PHE 277 CO 0.80 -0.76 1.93 -1.35 -0.10 0.00 0.00 175.22 175.74 2x92 h PRO 278 N 6.48 0.00 -0.00 0.24 0.11 -1.96 -1.65 132.00 135.21 2x92 h PRO 278 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2x92 h PRO 278 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2x92 h PRO 278 CO 0.50 0.00 -0.47 0.39 -0.21 0.00 0.00 178.00 178.21 2x92 n GLU 279 N -2.66 0.16 -4.04 1.05 1.02 -1.26 -4.90 120.64 110.02 2x92 n GLU 279 Ca -0.00 -0.10 -0.24 0.00 -0.02 0.00 0.00 57.16 56.80 2x92 n GLU 279 Cb 0.16 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.04 2x92 n GLU 279 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2x92 s LYS 280 N -2.90 3.11 0.39 3.49 -0.14 -0.62 -5.07 119.74 118.00 2x92 s LYS 280 Ca 0.13 -0.84 -0.27 0.00 -1.36 0.00 0.00 55.97 53.63 2x92 s LYS 280 Cb 0.18 -2.73 -0.10 0.00 -1.68 0.00 0.00 37.83 33.50 2x92 s LYS 280 CO 0.67 0.46 1.38 -1.25 -0.76 0.00 0.00 175.35 175.85 2x92 s PRO 281 N -3.48 4.05 -0.14 -1.68 0.04 -1.26 -4.93 135.00 127.60 2x92 s PRO 281 Ca 0.33 2.33 0.02 0.00 0.04 0.00 0.00 61.00 63.72 2x92 s PRO 281 Cb -0.09 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 31.59 2x92 s PRO 281 CO 0.26 -0.49 -0.18 -1.17 0.04 0.00 0.00 177.00 175.45 2x92 s LEU 282 N -2.24 1.92 -0.14 -3.56 2.96 -1.26 -4.80 118.68 111.56 2x92 s LEU 282 Ca 0.55 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 53.62 2x92 s LEU 282 Cb -0.42 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2x92 s LEU 282 CO 0.55 0.02 1.54 -0.69 -1.32 0.00 0.00 176.35 176.46 2x92 s VAL 283 N 1.06 3.80 -0.33 1.68 1.01 -1.26 -4.94 120.40 121.41 2x92 s VAL 283 Ca -0.03 0.94 0.03 0.00 0.00 0.00 0.00 61.98 62.92 2x92 s VAL 283 Cb -0.14 -3.68 0.16 0.00 0.00 0.00 0.00 36.38 32.71 2x92 s VAL 283 CO -0.05 -0.16 0.41 -0.62 0.00 0.00 0.00 175.10 174.67 2x92 s ASP 284 N 3.30 0.63 0.00 3.32 3.68 -1.26 -5.05 116.67 121.29 2x92 s ASP 284 Ca 0.68 -0.94 0.19 0.00 2.13 0.00 0.00 52.55 54.61 2x92 s ASP 284 Cb -0.27 0.92 0.52 0.00 -1.45 0.00 0.00 42.92 42.64 2x92 s ASP 284 CO 0.26 -0.30 1.43 1.33 0.13 0.00 0.00 175.17 178.01 2x92 n VAL 285 N 4.82 0.54 -0.18 1.11 0.24 -1.26 -4.39 118.33 119.20 2x92 n VAL 285 Ca 0.05 -0.63 -0.04 0.00 -2.04 0.00 0.00 64.34 61.68 2x92 n VAL 285 Cb 0.48 0.50 0.06 0.00 -1.47 0.00 0.00 33.84 33.41 2x92 n VAL 285 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2x92 h SER 286 N 3.19 0.46 -0.72 -1.34 0.02 -1.91 -1.43 113.55 111.82 2x92 h SER 286 Ca 0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2x92 h SER 286 Cb 0.72 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 2x92 h SER 286 CO 0.00 0.32 0.38 0.00 -1.14 0.00 0.00 176.83 176.39 2x92 h ALA 287 N 1.27 0.92 -0.47 3.77 0.00 -1.91 -1.99 119.26 120.85 2x92 h ALA 287 Ca 0.23 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2x92 h ALA 287 Cb 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2x92 h ALA 287 CO -0.14 0.44 -0.16 0.93 0.00 0.00 0.00 179.25 180.33 2x92 h GLU 288 N 0.99 0.91 -0.20 0.00 4.39 -1.80 0.01 114.58 118.88 2x92 h GLU 288 Ca 0.25 -0.35 0.04 0.00 0.34 0.00 0.00 59.36 59.65 2x92 h GLU 288 Cb 0.05 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2x92 h GLU 288 CO -0.04 1.00 -0.07 0.52 -1.16 0.00 0.00 179.01 179.26 2x92 h MET 289 N 0.80 -0.03 -0.36 2.33 2.86 -0.97 0.55 114.93 120.11 2x92 h MET 289 Ca 0.12 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2x92 h MET 289 Cb 0.70 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 2x92 h MET 289 CO 0.05 -0.02 0.14 0.93 1.06 0.00 0.00 176.91 179.08 2x92 h GLU 290 N -0.03 0.54 -0.89 1.72 5.08 -1.19 -1.85 114.58 117.95 2x92 h GLU 290 Ca 0.10 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2x92 h GLU 290 Cb 0.18 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 2x92 h GLU 290 CO -0.22 0.53 0.56 -0.22 -1.00 0.00 0.00 179.01 178.65 2x92 h LYS 291 N 0.44 0.98 -0.12 2.33 3.64 -0.69 -2.00 116.57 121.14 2x92 h LYS 291 Ca 0.12 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2x92 h LYS 291 Cb 0.19 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2x92 h LYS 291 CO -0.01 0.65 0.00 1.04 -2.27 0.00 0.00 179.45 178.86 2x92 n GLN 292 N -4.60 1.34 -1.93 1.90 6.02 0.16 -4.90 117.38 115.37 2x92 n GLN 292 Ca 0.13 -0.52 -0.08 0.00 -0.01 0.00 0.00 57.00 56.52 2x92 n GLN 292 Cb 0.19 -1.22 -0.01 0.00 1.02 0.00 0.00 30.24 30.22 2x92 n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2x92 n GLY 293 N 0.83 0.28 3.69 1.08 0.00 -0.75 -5.00 105.19 105.32 2x92 n GLY 293 Ca 0.10 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 2x92 n GLY 293 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x92 n TYR 294 N -3.70 1.92 -4.40 1.61 0.53 -0.72 -5.04 117.16 107.36 2x92 n TYR 294 Ca -0.09 0.49 -0.20 0.00 -1.02 0.00 0.00 57.90 57.08 2x92 n TYR 294 Cb 0.50 -2.34 -0.10 0.00 -1.03 0.00 0.00 39.34 36.37 2x92 n TYR 294 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2x92 s THR 295 N -1.24 1.37 0.26 -0.72 -4.23 -1.26 -4.87 115.64 104.95 2x92 s THR 295 Ca 0.64 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2x92 s THR 295 Cb -0.50 -2.48 0.24 0.00 1.34 0.00 0.00 72.50 71.11 2x92 s THR 295 CO 0.56 -0.26 1.77 -0.65 -0.54 0.00 0.00 174.62 175.50 2x92 h PRO 296 N 2.31 0.63 -0.24 3.99 0.11 -1.89 -2.04 132.00 134.86 2x92 h PRO 296 Ca -0.40 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.71 2x92 h PRO 296 Cb 1.23 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2x92 h PRO 296 CO 0.67 0.42 0.05 1.25 -0.21 0.00 0.00 178.00 180.18 2x92 h LEU 297 N 0.65 0.02 -0.78 2.35 5.85 -1.97 -1.91 115.31 119.54 2x92 h LEU 297 Ca 0.46 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.26 2x92 h LEU 297 Cb 0.62 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 2x92 h LEU 297 CO -0.35 0.05 0.48 0.50 -0.34 0.00 0.00 178.44 178.78 2x92 h LYS 298 N 0.15 0.88 -0.58 1.25 1.63 -1.89 -0.66 116.57 117.35 2x92 h LYS 298 Ca 0.11 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2x92 h LYS 298 Cb 0.10 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.50 2x92 h LYS 298 CO -0.14 0.58 0.35 0.52 -3.45 0.00 0.00 179.45 177.31 2x92 h MET 299 N 0.91 0.67 -0.34 1.90 2.86 -0.91 -0.16 114.93 119.86 2x92 h MET 299 Ca 0.33 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.81 2x92 h MET 299 Cb 0.09 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2x92 h MET 299 CO -0.14 0.44 -0.28 0.74 1.06 0.00 0.00 176.91 178.73 2x92 h PHE 300 N 0.69 0.81 -0.63 -0.22 0.04 -0.98 -2.00 116.94 114.65 2x92 h PHE 300 Ca 0.23 -0.20 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 2x92 h PHE 300 Cb 0.03 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 2x92 h PHE 300 CO -0.06 0.90 0.12 1.96 -0.60 0.00 0.00 178.31 180.63 2x92 h GLN 301 N 0.60 1.01 -0.71 1.51 4.20 -0.78 -0.67 115.11 120.28 2x92 h GLN 301 Ca 0.08 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 2x92 h GLN 301 Cb 0.78 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 2x92 h GLN 301 CO 0.06 0.92 0.24 0.52 -0.67 0.00 0.00 178.83 179.90 2x92 h MET 302 N 0.95 1.09 -0.33 1.46 2.86 -0.91 0.43 114.93 120.48 2x92 h MET 302 Ca 0.20 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2x92 h MET 302 Cb 0.39 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2x92 h MET 302 CO 0.01 0.92 0.17 0.78 1.06 0.00 0.00 176.91 179.85 2x92 h GLY 303 N 1.03 0.50 0.83 8.32 0.00 -1.06 -1.48 103.07 111.22 2x92 h GLY 303 Ca 0.23 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.35 2x92 h GLY 303 CO -0.01 0.23 0.36 -1.80 0.00 0.00 0.00 176.54 175.31 2x92 h ASP 304 N 0.41 0.57 -0.81 0.19 3.58 -0.91 -2.19 116.42 117.26 2x92 h ASP 304 Ca 0.12 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.64 2x92 h ASP 304 Cb 0.09 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 40.96 2x92 h ASP 304 CO -0.02 0.39 0.49 -0.78 -2.88 0.00 0.00 179.24 176.44 2x92 h ASP 305 N 0.70 0.75 -0.03 2.28 3.58 -0.65 -1.17 116.42 121.87 2x92 h ASP 305 Ca 0.25 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.72 2x92 h ASP 305 Cb 0.05 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 2x92 h ASP 305 CO -0.12 0.47 0.02 0.15 -2.88 0.00 0.00 179.24 176.88 2x92 h PHE 306 N 0.88 0.04 -0.31 0.28 3.57 -0.66 0.20 116.94 120.94 2x92 h PHE 306 Ca 0.36 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 2x92 h PHE 306 Cb 0.21 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2x92 h PHE 306 CO -0.05 0.04 0.18 0.74 -2.23 0.00 0.00 178.31 177.00 2x92 h PHE 307 N 0.02 0.41 -0.20 0.41 0.04 -1.17 -2.83 116.94 113.62 2x92 h PHE 307 Ca 0.01 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 2x92 h PHE 307 Cb 0.01 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 2x92 h PHE 307 CO -0.07 0.31 -0.20 1.79 -0.60 0.00 0.00 178.31 179.54 2x92 h THR 308 N 0.39 1.23 0.00 -1.55 1.35 -1.10 -2.04 112.91 111.19 2x92 h THR 308 Ca 0.11 -1.07 -0.01 0.00 -0.55 0.00 0.00 66.41 64.89 2x92 h THR 308 Cb 0.03 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2x92 h THR 308 CO -0.02 0.34 -0.04 0.77 -0.25 0.00 0.00 175.52 176.31 2x92 h SER 309 N 0.32 0.00 -0.39 5.36 4.64 -0.71 -0.22 113.55 122.55 2x92 h SER 309 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2x92 h SER 309 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2x92 h SER 309 CO 0.04 0.04 0.00 0.23 -0.87 0.00 0.00 176.83 176.27 2x92 n MET 310 N -3.57 2.08 -2.35 4.77 2.00 -0.83 -3.62 117.12 115.61 2x92 n MET 310 Ca -0.02 -1.66 -0.12 0.00 0.00 0.00 0.00 57.70 55.89 2x92 n MET 310 Cb 0.14 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 31.96 2x92 n MET 310 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2x92 n ASN 311 N 0.86 -3.81 -3.63 7.83 5.15 -0.09 -3.90 115.26 117.66 2x92 n ASN 311 Ca 0.17 -0.05 -0.11 0.00 -0.60 0.00 0.00 54.58 53.98 2x92 n ASN 311 Cb 0.42 -2.94 0.03 0.00 -0.53 0.00 0.00 39.78 36.76 2x92 n ASN 311 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2x92 n LEU 312 N -1.84 0.00 -4.71 1.20 4.77 -0.84 -4.91 117.00 110.67 2x92 n LEU 312 Ca -0.12 -1.43 -0.41 0.00 -0.03 0.00 0.00 56.01 54.02 2x92 n LEU 312 Cb 0.59 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 2x92 n LEU 312 CO 0.19 -0.59 0.56 -0.89 -1.33 0.00 0.00 177.39 175.33 2x92 s THR 313 N -1.10 4.94 0.54 -5.08 2.01 -1.26 -4.27 115.64 111.42 2x92 s THR 313 Ca 0.31 1.77 -0.21 0.00 0.31 0.00 0.00 61.69 63.87 2x92 s THR 313 Cb -0.02 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 2x92 s THR 313 CO 0.20 0.18 1.28 -0.75 -0.69 0.00 0.00 174.62 174.84 2x92 s LYS 314 N 1.06 3.22 0.17 4.92 2.20 -1.26 -4.69 119.74 125.36 2x92 s LYS 314 Ca 0.45 2.05 -0.31 0.00 -0.36 0.00 0.00 55.97 57.80 2x92 s LYS 314 Cb -0.19 -2.21 -0.10 0.00 -1.51 0.00 0.00 37.83 33.82 2x92 s LYS 314 CO 0.22 -1.07 1.50 -0.51 -0.36 0.00 0.00 175.35 175.13 2x92 s LEU 315 N -3.55 4.37 0.82 5.43 1.43 -1.26 -5.00 118.68 120.92 2x92 s LEU 315 Ca 0.71 2.55 -0.11 0.00 -1.03 0.00 0.00 54.13 56.25 2x92 s LEU 315 Cb -0.36 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.35 2x92 s LEU 315 CO 0.42 -0.76 1.09 -2.16 0.23 0.00 0.00 176.35 175.17 2x92 s PRO 316 N 0.83 1.87 0.39 1.29 0.04 -1.26 -4.96 135.00 133.20 2x92 s PRO 316 Ca 0.67 0.87 0.05 0.00 0.04 0.00 0.00 61.00 62.62 2x92 s PRO 316 Cb -0.42 -1.88 0.78 0.00 0.04 0.00 0.00 34.50 33.02 2x92 s PRO 316 CO 0.33 -1.83 2.03 0.37 0.04 0.00 0.00 177.00 177.95 2x92 h GLN 317 N -1.25 0.63 -0.86 4.56 5.75 -1.95 -2.28 115.11 119.71 2x92 h GLN 317 Ca -0.47 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.07 2x92 h GLN 317 Cb 1.26 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.61 2x92 h GLN 317 CO 0.55 0.43 0.56 -0.44 -2.65 0.00 0.00 178.83 177.28 2x92 h ASP 318 N 0.65 0.80 -0.25 -0.69 3.32 -1.92 -1.44 116.42 116.88 2x92 h ASP 318 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2x92 h ASP 318 Cb -0.05 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2x92 h ASP 318 CO -0.04 0.49 0.16 0.15 -1.72 0.00 0.00 179.24 178.29 2x92 h PHE 319 N 0.89 0.30 -0.14 4.55 3.57 -1.47 -1.13 116.94 123.51 2x92 h PHE 319 Ca 0.38 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.75 2x92 h PHE 319 Cb 0.32 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2x92 h PHE 319 CO -0.00 0.19 -0.52 -1.49 -2.23 0.00 0.00 178.31 174.26 2x92 h TRP 320 N 0.33 0.48 -0.06 0.41 4.06 -1.49 -1.78 115.95 117.90 2x92 h TRP 320 Ca 0.09 -0.16 -0.17 0.00 2.06 0.00 0.00 58.89 60.71 2x92 h TRP 320 Cb -0.03 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 2x92 h TRP 320 CO -0.06 0.83 -0.70 -0.44 -3.56 0.00 0.00 178.44 174.50 2x92 h ASP 321 N 0.30 0.36 0.00 -3.49 3.32 -1.12 -3.38 116.42 112.41 2x92 h ASP 321 Ca 0.01 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2x92 h ASP 321 Cb 1.02 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2x92 h ASP 321 CO 0.09 0.95 -0.78 0.29 -1.72 0.00 0.00 179.24 178.07 2x92 n LYS 322 N -3.82 2.64 -1.51 3.56 5.02 -0.44 -5.02 118.16 118.59 2x92 n LYS 322 Ca -0.03 -0.03 -0.33 0.00 -2.02 0.00 0.00 58.31 55.90 2x92 n LYS 322 Cb 0.69 -0.97 0.07 0.00 -0.02 0.00 0.00 35.03 34.80 2x92 n LYS 322 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2x92 s SER 323 N -2.14 4.66 -0.31 4.39 0.01 -0.67 -4.91 113.70 114.72 2x92 s SER 323 Ca 0.00 2.03 0.01 0.00 1.31 0.00 0.00 55.95 59.30 2x92 s SER 323 Cb 0.04 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.80 2x92 s SER 323 CO 0.26 -1.94 0.00 -0.63 0.41 0.00 0.00 173.24 171.34 2x92 s ILE 324 N -2.44 2.55 -1.07 1.44 1.01 -0.04 -4.98 121.20 117.68 2x92 s ILE 324 Ca 0.67 -1.82 0.10 0.00 0.00 0.00 0.00 60.65 59.59 2x92 s ILE 324 Cb -0.21 -2.63 0.18 0.00 0.01 0.00 0.00 42.46 39.81 2x92 s ILE 324 CO 0.47 -0.29 1.02 2.30 0.00 0.00 0.00 174.94 178.44 2x92 n ILE 325 N 4.45 0.49 -3.94 2.92 -5.35 -1.25 -0.23 119.36 116.44 2x92 n ILE 325 Ca -0.07 -0.75 -0.10 0.00 -0.27 0.00 0.00 62.75 61.56 2x92 n ILE 325 Cb 0.42 0.86 -0.12 0.00 -1.74 0.00 0.00 39.64 39.06 2x92 n ILE 325 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2x92 s GLU 326 N -0.92 0.21 0.11 6.28 2.02 -1.09 -3.03 118.70 122.28 2x92 s GLU 326 Ca 0.17 -0.40 -0.31 0.00 0.02 0.00 0.00 54.97 54.44 2x92 s GLU 326 Cb 0.10 0.06 -0.09 0.00 0.10 0.00 0.00 34.13 34.30 2x92 s GLU 326 CO 0.14 -0.03 1.68 0.21 0.02 0.00 0.00 175.26 177.28 2x92 s LYS 327 N -0.95 4.18 0.51 1.61 2.20 -1.26 -4.81 119.74 121.22 2x92 s LYS 327 Ca -0.10 2.42 -0.23 0.00 -0.36 0.00 0.00 55.97 57.70 2x92 s LYS 327 Cb -0.07 -3.47 -0.06 0.00 -1.51 0.00 0.00 37.83 32.73 2x92 s LYS 327 CO -0.01 -0.74 1.31 -2.30 -0.36 0.00 0.00 175.35 173.26 2x92 n PRO 328 N 5.16 1.73 -0.22 4.03 -0.02 -1.26 -4.96 135.00 139.46 2x92 n PRO 328 Ca 0.16 0.63 0.11 0.00 -2.02 0.00 0.00 63.50 62.38 2x92 n PRO 328 Cb 0.39 -2.50 0.23 0.00 -0.02 0.00 0.00 33.50 31.60 2x92 n PRO 328 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2x92 n THR 329 N -0.82 0.61 -2.17 3.45 -2.24 -1.26 -4.91 114.28 106.93 2x92 n THR 329 Ca 0.09 -0.81 -0.27 0.00 -2.27 0.00 0.00 64.05 60.79 2x92 n THR 329 Cb 0.43 0.88 0.15 0.00 -2.10 0.00 0.00 70.33 69.69 2x92 n THR 329 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2x92 s ASP 330 N -1.34 3.73 0.00 3.42 1.47 -1.26 -4.97 116.67 117.72 2x92 s ASP 330 Ca 0.39 0.10 0.00 0.00 1.18 0.00 0.00 52.55 54.22 2x92 s ASP 330 Cb 0.22 -0.33 0.00 0.00 -0.34 0.00 0.00 42.92 42.47 2x92 s ASP 330 CO 0.31 -2.31 0.87 0.61 0.68 0.00 0.00 175.17 175.33 2x92 n GLY 331 N -3.37 -0.44 3.81 2.12 0.00 -1.26 -4.94 105.19 101.11 2x92 n GLY 331 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2x92 n GLY 331 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2x92 s ARG 332 N -1.78 3.75 0.13 1.61 1.70 -1.26 -5.05 118.95 118.05 2x92 s ARG 332 Ca 0.00 1.21 -0.17 0.00 -0.47 0.00 0.00 55.73 56.30 2x92 s ARG 332 Cb 0.00 -2.10 -0.07 0.00 -0.57 0.00 0.00 34.95 32.21 2x92 s ARG 332 CO 0.00 -0.45 0.59 -0.51 -1.08 0.00 0.00 175.30 173.84 2x92 s ASP 333 N -2.44 6.96 0.23 -2.89 -0.00 -1.26 -5.01 116.67 112.26 2x92 s ASP 333 Ca 0.64 1.21 -0.18 0.00 -0.00 0.00 0.00 52.55 54.21 2x92 s ASP 333 Cb -0.14 -2.34 0.02 0.00 -0.00 0.00 0.00 42.92 40.46 2x92 s ASP 333 CO 0.26 0.16 0.59 -1.48 -0.00 0.00 0.00 175.17 174.70 2x92 s LEU 334 N -1.61 -0.05 -0.52 1.23 2.34 -1.26 -0.75 118.68 118.06 2x92 s LEU 334 Ca 0.35 -0.57 -0.23 0.00 0.06 0.00 0.00 54.13 53.74 2x92 s LEU 334 Cb -0.17 2.32 0.04 0.00 -0.56 0.00 0.00 46.19 47.82 2x92 s LEU 334 CO 0.19 -1.17 0.83 -0.69 -1.06 0.00 0.00 176.35 174.46 2x92 s VAL 335 N -3.91 4.56 -0.52 1.48 1.01 -0.49 -4.82 120.40 117.71 2x92 s VAL 335 Ca 0.12 0.14 0.24 0.00 0.00 0.00 0.00 61.98 62.48 2x92 s VAL 335 Cb -0.03 -4.43 0.30 0.00 0.00 0.00 0.00 36.38 32.23 2x92 s VAL 335 CO 0.02 -0.95 1.63 0.00 0.00 0.00 0.00 175.10 175.80 2x92 n HIS 337 N -2.82 2.30 -1.76 0.00 -0.00 -1.26 -3.92 115.22 107.77 2x92 n HIS 337 Ca 0.04 0.06 -0.41 0.00 -0.00 0.00 0.00 57.72 57.41 2x92 n HIS 337 Cb 0.50 -2.64 -0.00 0.00 -0.00 0.00 0.00 29.99 27.85 2x92 n HIS 337 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2x92 n ALA 338 N 6.53 2.15 -3.21 1.57 0.00 -1.26 -4.91 120.51 121.38 2x92 n ALA 338 Ca 0.23 0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 2x92 n ALA 338 Cb 0.27 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.29 2x92 n ALA 338 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2x92 s SER 339 N -0.11 -0.37 0.00 0.00 1.04 -0.71 -5.02 113.70 108.54 2x92 s SER 339 Ca 0.55 -0.01 0.08 0.00 0.48 0.00 0.00 55.95 57.05 2x92 s SER 339 Cb -0.50 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 2x92 s SER 339 CO 0.62 -0.77 -0.25 0.00 0.98 0.00 0.00 173.24 173.81 2x92 s ALA 340 N -2.97 2.22 -0.05 5.32 0.00 -1.26 -1.34 121.76 123.69 2x92 s ALA 340 Ca -0.02 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.81 2x92 s ALA 340 Cb -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.57 2x92 s ALA 340 CO -0.06 0.53 -0.14 -1.58 0.00 0.00 0.00 175.76 174.51 2x92 s TRP 341 N -0.68 1.50 -0.15 0.00 0.52 0.12 -5.00 118.94 115.25 2x92 s TRP 341 Ca 0.11 -0.46 -0.04 0.00 0.02 0.00 0.00 56.10 55.73 2x92 s TRP 341 Cb -0.10 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.15 2x92 s TRP 341 CO 0.00 -0.18 -0.02 0.34 0.02 0.00 0.00 176.95 177.11 2x92 s ASP 342 N 0.23 4.94 0.00 2.95 3.68 -1.26 -1.73 116.67 125.49 2x92 s ASP 342 Ca -0.07 -0.08 0.18 0.00 2.13 0.00 0.00 52.55 54.72 2x92 s ASP 342 Cb -0.12 -1.78 0.29 0.00 -1.45 0.00 0.00 42.92 39.87 2x92 s ASP 342 CO 0.02 0.19 1.22 0.49 0.13 0.00 0.00 175.17 177.22 2x92 n PHE 343 N 3.41 0.32 -2.01 -5.34 3.72 -0.92 -4.99 117.46 111.64 2x92 n PHE 343 Ca -0.17 -0.21 -0.19 0.00 -0.05 0.00 0.00 57.45 56.83 2x92 n PHE 343 Cb 0.52 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.02 2x92 n PHE 343 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2x92 n TYR 344 N 1.08 -0.51 0.00 1.38 4.02 -1.26 -4.26 117.16 117.61 2x92 n TYR 344 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 2x92 n TYR 344 Cb 0.49 -3.47 0.00 0.00 -0.02 0.00 0.00 39.34 36.34 2x92 n TYR 344 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2x92 n LEU 345 N -2.46 0.00 -4.02 7.72 4.77 -1.26 -4.70 117.00 117.05 2x92 n LEU 345 Ca -0.21 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.48 2x92 n LEU 345 Cb 0.65 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.57 2x92 n LEU 345 CO 0.27 0.00 -0.48 -0.89 -1.33 0.00 0.00 177.39 174.96 2x92 s THR 346 N 3.92 1.51 -0.33 -5.08 2.01 -1.26 -4.80 115.64 111.60 2x92 s THR 346 Ca 0.00 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2x92 s THR 346 Cb 0.00 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.10 2x92 s THR 346 CO 0.00 0.45 0.00 0.47 -0.69 0.00 0.00 174.62 174.85 2x92 n ASP 347 N 4.64 -4.94 -4.35 3.53 10.43 -1.26 -4.93 116.55 119.66 2x92 n ASP 347 Ca -0.17 0.08 -0.46 0.00 2.57 0.00 0.00 54.79 56.80 2x92 n ASP 347 Cb 0.50 -2.71 -0.02 0.00 1.84 0.00 0.00 41.12 40.73 2x92 n ASP 347 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2x92 s ASP 348 N -2.19 6.75 0.02 -2.24 -1.08 -1.26 -4.44 116.67 112.23 2x92 s ASP 348 Ca 0.00 -2.59 0.04 0.00 -0.52 0.00 0.00 52.55 49.48 2x92 s ASP 348 Cb 0.00 -2.25 -0.02 0.00 -1.46 0.00 0.00 42.92 39.20 2x92 s ASP 348 CO 0.00 -0.66 -0.13 0.68 0.52 0.00 0.00 175.17 175.58 2x92 s VAL 349 N 0.61 1.00 0.01 1.11 -7.23 -1.26 -2.17 120.40 112.47 2x92 s VAL 349 Ca 0.21 -0.78 -0.05 0.00 -1.81 0.00 0.00 61.98 59.55 2x92 s VAL 349 Cb -0.09 -0.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 2x92 s VAL 349 CO -0.09 0.10 0.07 -0.13 -0.31 0.00 0.00 175.10 174.74 2x92 s ARG 350 N -0.78 0.42 -0.01 4.82 0.52 -0.70 -3.63 118.95 119.59 2x92 s ARG 350 Ca 0.02 -0.49 0.06 0.00 -0.52 0.00 0.00 55.73 54.80 2x92 s ARG 350 Cb -0.06 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.55 2x92 s ARG 350 CO 0.00 -0.09 -0.18 0.42 0.02 0.00 0.00 175.30 175.48 2x92 s ILE 351 N -1.44 2.79 -0.27 1.52 1.01 -1.26 0.15 121.20 123.70 2x92 s ILE 351 Ca -0.15 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.56 2x92 s ILE 351 Cb -0.08 -2.11 0.07 0.00 0.01 0.00 0.00 42.46 40.34 2x92 s ILE 351 CO 0.01 0.49 -0.07 -0.75 0.00 0.00 0.00 174.94 174.61 2x92 s LYS 352 N -1.00 2.00 -0.02 2.79 2.20 -0.45 -0.86 119.74 124.40 2x92 s LYS 352 Ca 0.13 -1.40 -0.01 0.00 -0.36 0.00 0.00 55.97 54.33 2x92 s LYS 352 Cb -0.10 -2.90 0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2x92 s LYS 352 CO 0.02 -0.65 0.04 -1.14 -0.36 0.00 0.00 175.35 173.26 2x92 s GLN 353 N 1.10 -0.01 -1.35 4.03 0.74 0.68 -1.73 119.66 123.13 2x92 s GLN 353 Ca -0.05 0.16 -0.10 0.00 0.05 0.00 0.00 55.36 55.42 2x92 s GLN 353 Cb -0.20 -0.16 0.12 0.00 1.10 0.00 0.00 33.01 33.87 2x92 s GLN 353 CO -0.06 -0.12 2.06 0.00 -0.55 0.00 0.00 175.29 176.62 2x92 s THR 355 N 1.10 2.56 0.21 0.00 2.01 -1.17 -4.70 115.64 115.65 2x92 s THR 355 Ca 0.44 0.42 0.09 0.00 0.31 0.00 0.00 61.69 62.95 2x92 s THR 355 Cb 0.12 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2x92 s THR 355 CO -0.03 0.04 -0.09 -0.13 -0.69 0.00 0.00 174.62 173.72 2x92 s ARG 356 N 0.62 2.05 -1.14 4.92 0.52 -1.26 -4.73 118.95 119.93 2x92 s ARG 356 Ca 0.67 -1.36 -0.16 0.00 -0.52 0.00 0.00 55.73 54.36 2x92 s ARG 356 Cb -0.44 -2.11 0.14 0.00 0.52 0.00 0.00 34.95 33.07 2x92 s ARG 356 CO 0.36 0.41 1.39 0.08 0.02 0.00 0.00 175.30 177.55 2x92 s VAL 357 N -1.92 4.81 0.12 3.52 1.01 -1.26 -4.73 120.40 121.95 2x92 s VAL 357 Ca 0.27 -2.20 -0.04 0.00 0.00 0.00 0.00 61.98 60.01 2x92 s VAL 357 Cb -0.08 -4.91 -0.03 0.00 0.00 0.00 0.00 36.38 31.36 2x92 s VAL 357 CO 0.16 -1.65 0.11 0.42 0.00 0.00 0.00 175.10 174.14 2x92 s THR 358 N 2.30 0.12 0.12 3.92 -4.23 -1.26 -4.75 115.64 111.85 2x92 s THR 358 Ca 0.41 -1.70 -0.20 0.00 -1.18 0.00 0.00 61.69 59.03 2x92 s THR 358 Cb -0.02 -1.85 -0.07 0.00 1.34 0.00 0.00 72.50 71.90 2x92 s THR 358 CO -0.02 -0.53 1.76 -0.61 -0.54 0.00 0.00 174.62 174.69 2x92 h GLN 359 N 2.82 0.20 -0.71 3.99 4.15 -1.89 -2.31 115.11 121.36 2x92 h GLN 359 Ca -0.34 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.04 2x92 h GLN 359 Cb 1.20 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.81 2x92 h GLN 359 CO 0.57 0.13 0.33 0.22 -1.93 0.00 0.00 178.83 178.15 2x92 h ASP 360 N 0.21 0.93 0.13 -0.69 3.58 -1.97 -2.09 116.42 116.51 2x92 h ASP 360 Ca 0.07 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.36 2x92 h ASP 360 Cb 0.00 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 2x92 h ASP 360 CO -0.04 0.80 -0.19 1.56 -2.88 0.00 0.00 179.24 178.49 2x92 h GLN 361 N 1.02 0.12 -0.54 0.28 1.08 -1.80 -1.87 115.11 113.40 2x92 h GLN 361 Ca 0.25 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.35 2x92 h GLN 361 Cb 0.13 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2x92 h GLN 361 CO -0.03 0.31 0.06 1.25 -0.95 0.00 0.00 178.83 179.47 2x92 h LEU 362 N 0.12 0.83 -0.46 1.46 5.85 -0.81 -0.13 115.31 122.17 2x92 h LEU 362 Ca 0.02 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 2x92 h LEU 362 Cb 0.41 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2x92 h LEU 362 CO 0.03 0.86 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.70 2x92 h PHE 363 N 0.82 0.92 -0.66 1.25 0.04 -1.19 -2.75 116.94 115.36 2x92 h PHE 363 Ca 0.17 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2x92 h PHE 363 Cb 0.41 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 2x92 h PHE 363 CO 0.02 0.89 0.22 1.15 -0.60 0.00 0.00 178.31 179.99 2x92 h THR 364 N 0.68 1.24 -0.35 -1.55 2.02 -1.05 -0.18 112.91 113.72 2x92 h THR 364 Ca 0.13 -0.81 0.03 0.00 0.77 0.00 0.00 66.41 66.53 2x92 h THR 364 Cb 0.54 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2x92 h THR 364 CO 0.03 0.32 0.15 0.58 0.37 0.00 0.00 175.52 176.96 2x92 h VAL 365 N 0.97 0.94 -0.23 3.16 2.07 -0.94 -1.31 116.25 120.91 2x92 h VAL 365 Ca 0.22 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 2x92 h VAL 365 Cb 0.25 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2x92 h VAL 365 CO -0.01 0.06 -0.14 0.45 0.02 0.00 0.00 177.57 177.94 2x92 h HIS 366 N 0.31 0.41 0.05 1.57 -0.00 -1.16 -1.55 115.15 114.78 2x92 h HIS 366 Ca 0.15 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2x92 h HIS 366 Cb 0.10 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 2x92 h HIS 366 CO -0.12 0.52 -0.02 1.25 -0.00 0.00 0.00 177.93 179.56 2x92 h HIS 367 N 0.36 -0.06 -0.35 2.45 6.17 -0.48 -1.67 115.15 121.57 2x92 h HIS 367 Ca 0.07 -0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.08 2x92 h HIS 367 Cb 0.47 0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.40 2x92 h HIS 367 CO 0.01 0.05 -0.07 0.93 0.71 0.00 0.00 177.93 179.56 2x92 h GLU 368 N -0.16 0.58 0.00 5.26 4.39 -1.11 -2.35 114.58 121.19 2x92 h GLU 368 Ca -0.01 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 2x92 h GLU 368 Cb 0.14 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2x92 h GLU 368 CO 0.01 0.65 -0.26 -0.07 -1.16 0.00 0.00 179.01 178.18 2x92 h LEU 369 N 0.54 0.00 -0.75 1.33 3.38 -1.18 -2.39 115.31 116.24 2x92 h LEU 369 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2x92 h LEU 369 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2x92 h LEU 369 CO 0.02 0.26 0.38 1.23 0.09 0.00 0.00 178.44 180.42 2x92 h GLY 370 N 2.12 1.15 0.92 0.83 0.00 -0.74 -0.34 103.07 107.01 2x92 h GLY 370 Ca -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2x92 h GLY 370 CO 0.03 0.53 -0.01 0.45 0.00 0.00 0.00 176.54 177.54 2x92 h HIS 371 N 1.05 -0.03 -0.45 5.60 3.86 -1.36 -2.24 115.15 121.59 2x92 h HIS 371 Ca 0.26 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.55 2x92 h HIS 371 Cb 0.09 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.50 2x92 h HIS 371 CO 0.01 0.07 0.05 0.82 0.86 0.00 0.00 177.93 179.73 2x92 h ILE 372 N -0.11 0.71 -0.58 2.45 1.08 -1.24 -0.79 117.51 119.02 2x92 h ILE 372 Ca -0.00 -0.06 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 2x92 h ILE 372 Cb 0.11 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 2x92 h ILE 372 CO 0.01 0.03 0.32 -0.61 -0.69 0.00 0.00 178.15 177.21 2x92 h GLN 373 N 0.17 0.61 -0.27 2.37 5.75 -0.98 -1.31 115.11 121.45 2x92 h GLN 373 Ca 0.22 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.72 2x92 h GLN 373 Cb 0.31 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 2x92 h GLN 373 CO -0.33 0.40 0.09 -0.92 -2.65 0.00 0.00 178.83 175.42 2x92 h TYR 374 N 0.63 0.16 -0.64 3.99 -0.00 -0.75 0.56 116.97 120.93 2x92 h TYR 374 Ca 0.25 0.01 0.12 0.00 -0.00 0.00 0.00 58.73 59.11 2x92 h TYR 374 Cb 0.10 -0.03 -0.09 0.00 -0.00 0.00 0.00 36.73 36.71 2x92 h TYR 374 CO -0.08 0.07 0.13 0.74 -0.00 0.00 0.00 178.16 179.03 2x92 h PHE 375 N 0.21 0.20 -0.15 -3.82 0.04 -0.55 -2.12 116.94 110.75 2x92 h PHE 375 Ca 0.12 0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.77 2x92 h PHE 375 Cb 0.09 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 2x92 h PHE 375 CO -0.13 -0.05 -0.56 -0.07 -0.60 0.00 0.00 178.31 176.89 2x92 h LEU 376 N 0.26 0.50 -1.03 1.54 3.38 -0.71 -2.69 115.31 116.55 2x92 h LEU 376 Ca 0.34 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2x92 h LEU 376 Cb 0.53 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2x92 h LEU 376 CO -0.44 0.96 -0.43 1.56 0.09 0.00 0.00 178.44 180.18 2x92 h GLN 377 N 0.34 0.11 -0.31 1.13 1.08 -0.27 -3.27 115.11 113.92 2x92 h GLN 377 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2x92 h GLN 377 Cb 1.09 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2x92 h GLN 377 CO 0.10 0.52 0.00 2.48 -0.95 0.00 0.00 178.83 180.98 2x92 n TYR 378 N -4.02 0.49 0.30 2.96 0.18 -0.89 -4.14 117.16 112.06 2x92 n TYR 378 Ca -0.02 -0.55 0.16 0.00 1.88 0.00 0.00 57.90 59.37 2x92 n TYR 378 Cb 0.47 -0.07 0.75 0.00 -0.38 0.00 0.00 39.34 40.11 2x92 n TYR 378 CO 0.00 0.00 0.00 -0.56 -2.08 0.00 0.00 176.86 174.22 2x92 h GLN 379 N 1.85 0.00 0.00 -3.48 3.07 -1.53 -1.19 115.11 113.82 2x92 h GLN 379 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2x92 h GLN 379 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.38 2x92 h GLN 379 CO 0.03 0.00 0.00 1.12 0.09 0.00 0.00 178.83 180.07 2x92 h HIS 380 N 0.00 0.00 -4.19 0.06 2.07 -1.85 -3.46 115.15 107.78 2x92 h HIS 380 Ca 0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 2x92 h HIS 380 Cb 0.26 0.00 0.10 0.00 2.57 0.00 0.00 27.41 30.34 2x92 h HIS 380 CO 0.00 0.00 0.38 -0.65 -3.07 0.00 0.00 177.93 174.59 2x92 s GLN 381 N -3.19 2.89 0.63 5.12 -1.52 -0.45 -5.00 119.66 118.14 2x92 s GLN 381 Ca 0.08 1.39 -0.19 0.00 -1.95 0.00 0.00 55.36 54.70 2x92 s GLN 381 Cb 0.10 -1.96 -0.02 0.00 -0.22 0.00 0.00 33.01 30.90 2x92 s GLN 381 CO 0.59 -1.18 1.22 -0.35 -0.25 0.00 0.00 175.29 175.33 2x92 n PRO 382 N -2.29 1.12 -0.32 2.91 -0.04 -1.26 -4.77 135.00 130.35 2x92 n PRO 382 Ca 0.10 0.44 0.02 0.00 -0.04 0.00 0.00 63.50 64.02 2x92 n PRO 382 Cb 0.52 -2.45 0.09 0.00 -0.04 0.00 0.00 33.50 31.63 2x92 n PRO 382 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2x92 h PHE 383 N 0.62 -0.65 0.00 0.54 3.57 -1.95 0.14 116.94 119.20 2x92 h PHE 383 Ca -0.50 0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 2x92 h PHE 383 Cb 1.34 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 40.51 2x92 h PHE 383 CO 0.40 -0.39 -0.00 -0.39 -2.23 0.00 0.00 178.31 175.70 2x92 h VAL 384 N -0.02 0.02 -0.09 1.41 -1.51 -1.90 -0.94 116.25 113.23 2x92 h VAL 384 Ca 0.40 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.77 2x92 h VAL 384 Cb 0.64 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2x92 h VAL 384 CO -0.92 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 174.20 2x92 n TYR 385 N -3.11 0.09 -2.02 5.19 4.01 0.47 -4.67 117.16 117.12 2x92 n TYR 385 Ca -0.02 -0.04 -0.41 0.00 -0.16 0.00 0.00 57.90 57.26 2x92 n TYR 385 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2x92 n TYR 385 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2x92 n ARG 386 N 1.08 4.11 -3.89 -0.72 1.74 -0.36 -0.96 116.66 117.66 2x92 n ARG 386 Ca 0.16 -3.31 -0.08 0.00 -0.77 0.00 0.00 57.85 53.85 2x92 n ARG 386 Cb 0.54 -2.77 -0.02 0.00 -1.02 0.00 0.00 32.46 29.18 2x92 n ARG 386 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2x92 s THR 387 N -0.11 0.00 0.80 0.55 -1.32 -1.26 -5.00 115.64 109.30 2x92 s THR 387 Ca 0.51 -1.09 -0.13 0.00 -1.21 0.00 0.00 61.69 59.76 2x92 s THR 387 Cb 0.15 -2.16 0.08 0.00 -1.51 0.00 0.00 72.50 69.06 2x92 s THR 387 CO -0.06 0.00 1.20 -0.83 -2.21 0.00 0.00 174.62 172.72 2x92 s GLY 388 N -2.96 2.16 0.18 6.08 0.00 -1.26 -2.10 107.32 109.41 2x92 s GLY 388 Ca 0.14 0.83 -0.13 0.00 0.00 0.00 0.00 44.72 45.56 2x92 s GLY 388 CO 0.08 1.25 1.74 0.00 0.00 0.00 0.00 173.10 176.17 2x92 h ALA 389 N -0.86 0.58 -2.57 3.20 0.00 -1.91 -3.38 119.26 114.33 2x92 h ALA 389 Ca -0.46 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 2x92 h ALA 389 Cb 1.29 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 2x92 h ALA 389 CO 0.46 -0.23 -0.56 0.54 0.00 0.00 0.00 179.25 179.47 2x92 s ASN 390 N -5.38 0.17 0.53 0.00 2.20 -1.26 -4.22 114.94 106.98 2x92 s ASN 390 Ca -0.13 -1.24 0.21 0.00 -0.94 0.00 0.00 52.86 50.75 2x92 s ASN 390 Cb 0.14 0.38 1.34 0.00 -2.00 0.00 0.00 41.25 41.12 2x92 s ASN 390 CO 0.73 -0.84 2.08 -0.65 -2.94 0.00 0.00 177.10 175.48 2x92 h PRO 391 N 2.65 0.00 -0.03 3.55 0.11 -1.84 -1.45 132.00 135.01 2x92 h PRO 391 Ca -0.34 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 2x92 h PRO 391 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2x92 h PRO 391 CO 0.53 0.00 -0.27 0.78 -0.21 0.00 0.00 178.00 178.83 2x92 h GLY 392 N 0.00 0.05 0.96 -0.55 0.00 -1.91 -3.07 103.07 98.55 2x92 h GLY 392 Ca 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 2x92 h GLY 392 CO -0.00 0.03 0.01 0.74 0.00 0.00 0.00 176.54 177.32 2x92 h PHE 393 N 0.04 0.81 -0.99 5.60 0.05 -1.58 -2.04 116.94 118.84 2x92 h PHE 393 Ca 0.01 -0.14 0.01 0.00 3.82 0.00 0.00 57.97 61.67 2x92 h PHE 393 Cb 0.50 -0.21 -0.05 0.00 2.00 0.00 0.00 35.95 38.19 2x92 h PHE 393 CO 0.00 0.80 0.65 1.25 -0.18 0.00 0.00 178.31 180.83 2x92 h HIS 394 N 0.59 1.25 0.00 -0.55 2.76 -1.55 -2.18 115.15 115.47 2x92 h HIS 394 Ca 0.12 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 2x92 h HIS 394 Cb 0.47 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 2x92 h HIS 394 CO 0.04 0.80 -0.20 0.93 -1.30 0.00 0.00 177.93 178.19 2x92 h GLU 395 N 1.34 0.00 0.06 5.26 4.39 -1.46 -3.32 114.58 120.85 2x92 h GLU 395 Ca 0.36 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.82 2x92 h GLU 395 Cb -0.14 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2x92 h GLU 395 CO -0.08 0.20 -1.15 0.00 -1.16 0.00 0.00 179.01 176.82 2x92 h ALA 396 N 1.80 0.26 0.22 3.43 0.00 -0.70 -3.38 119.26 120.89 2x92 h ALA 396 Ca -0.00 -0.94 0.01 0.00 0.00 0.00 0.00 54.91 53.98 2x92 h ALA 396 Cb 0.83 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2x92 h ALA 396 CO 0.03 1.15 -0.50 0.28 0.00 0.00 0.00 179.25 180.21 2x92 h VAL 397 N 0.03 0.04 -0.50 0.00 2.07 -1.64 -1.79 116.25 114.46 2x92 h VAL 397 Ca -0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2x92 h VAL 397 Cb 1.87 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2x92 h VAL 397 CO 0.16 0.00 0.18 1.23 0.02 0.00 0.00 177.57 179.16 2x92 h GLY 398 N -0.80 0.77 1.85 2.17 0.00 -1.75 -2.63 103.07 102.68 2x92 h GLY 398 Ca -0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 2x92 h GLY 398 CO -0.22 0.37 -0.20 -0.55 0.00 0.00 0.00 176.54 175.94 2x92 h ASP 399 N 0.71 0.17 -0.48 0.19 5.19 -1.64 -1.06 116.42 119.51 2x92 h ASP 399 Ca 0.17 -0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2x92 h ASP 399 Cb 0.18 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 2x92 h ASP 399 CO -0.01 0.39 0.31 0.58 -3.12 0.00 0.00 179.24 177.40 2x92 h VAL 400 N 0.17 1.11 -0.39 -1.35 2.07 -0.95 -0.81 116.25 116.11 2x92 h VAL 400 Ca 0.03 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2x92 h VAL 400 Cb 0.46 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2x92 h VAL 400 CO 0.03 0.12 -0.02 -0.07 0.02 0.00 0.00 177.57 177.64 2x92 h LEU 401 N 0.64 0.69 -1.43 2.57 3.38 -1.45 -2.99 115.31 116.72 2x92 h LEU 401 Ca 0.18 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.91 2x92 h LEU 401 Cb -0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 2x92 h LEU 401 CO -0.04 0.85 0.48 0.28 0.09 0.00 0.00 178.44 180.09 2x92 h SER 402 N 0.52 0.58 -0.84 -0.43 0.02 -0.98 0.46 113.55 112.87 2x92 h SER 402 Ca 0.11 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2x92 h SER 402 Cb 0.51 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 2x92 h SER 402 CO 0.02 0.35 0.54 -0.07 -1.14 0.00 0.00 176.83 176.54 2x92 h LEU 403 N 0.64 0.91 0.13 5.07 3.38 -1.00 -1.42 115.31 123.02 2x92 h LEU 403 Ca 0.33 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 58.01 2x92 h LEU 403 Cb 0.44 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2x92 h LEU 403 CO -0.12 0.63 -1.27 0.77 0.09 0.00 0.00 178.44 178.54 2x92 h SER 404 N 1.07 0.42 0.24 -0.43 4.64 -1.20 -3.26 113.55 115.03 2x92 h SER 404 Ca 0.33 -0.46 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 2x92 h SER 404 Cb -0.01 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2x92 h SER 404 CO -0.11 1.37 -0.19 -0.37 -0.87 0.00 0.00 176.83 176.66 2x92 h VAL 405 N 0.07 1.02 0.00 0.95 -1.51 -0.83 -2.51 116.25 113.44 2x92 h VAL 405 Ca -0.15 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 2x92 h VAL 405 Cb 1.98 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 32.52 2x92 h VAL 405 CO 0.20 0.19 0.00 -1.54 -1.23 0.00 0.00 177.57 175.19 2x92 n SER 406 N -4.14 0.17 -4.77 4.19 3.41 -0.55 -4.19 113.62 107.74 2x92 n SER 406 Ca -0.02 0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 58.73 2x92 n SER 406 Cb 0.26 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.63 2x92 n SER 406 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2x92 s THR 407 N -3.04 3.13 0.32 6.66 -4.23 -0.95 -4.89 115.64 112.65 2x92 s THR 407 Ca 0.11 0.91 0.06 0.00 -1.18 0.00 0.00 61.69 61.59 2x92 s THR 407 Cb 0.15 -3.49 0.31 0.00 1.34 0.00 0.00 72.50 70.80 2x92 s THR 407 CO 0.46 0.05 1.83 -0.65 -0.54 0.00 0.00 174.62 175.77 2x92 h PRO 408 N 2.40 0.78 -0.28 3.99 0.11 -1.89 -0.70 132.00 136.42 2x92 h PRO 408 Ca -0.49 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.64 2x92 h PRO 408 Cb 1.24 -0.18 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 2x92 h PRO 408 CO 0.62 0.52 -0.17 -0.22 -0.21 0.00 0.00 178.00 178.54 2x92 h LYS 409 N 0.81 -0.13 -0.09 1.05 3.64 -1.91 -1.12 116.57 118.82 2x92 h LYS 409 Ca 0.50 0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.66 2x92 h LYS 409 Cb 0.72 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2x92 h LYS 409 CO -0.27 -0.09 -0.85 1.25 -2.27 0.00 0.00 179.45 177.22 2x92 h HIS 410 N -0.14 1.02 0.00 1.91 2.76 -1.66 -3.10 115.15 115.94 2x92 h HIS 410 Ca 0.15 -0.49 -0.06 0.00 -2.20 0.00 0.00 60.37 57.77 2x92 h HIS 410 Cb 0.36 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2x92 h HIS 410 CO -0.35 1.32 -0.27 -0.07 -1.30 0.00 0.00 177.93 177.26 2x92 h LEU 411 N 0.42 0.00 -0.39 0.26 3.38 -0.96 -2.12 115.31 115.90 2x92 h LEU 411 Ca -0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2x92 h LEU 411 Cb 1.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 2x92 h LEU 411 CO 0.17 0.27 -0.32 -0.33 0.09 0.00 0.00 178.44 178.32 2x92 h GLU 412 N 0.00 0.90 -0.87 1.13 5.08 -1.26 -1.20 114.58 118.36 2x92 h GLU 412 Ca -0.00 -0.45 0.10 0.00 -1.00 0.00 0.00 59.36 58.01 2x92 h GLU 412 Cb 0.48 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 2x92 h GLU 412 CO 0.03 1.10 0.52 0.87 -1.00 0.00 0.00 179.01 180.53 2x92 h LYS 413 N 0.71 0.83 -0.43 2.33 1.57 -1.31 -2.25 116.57 118.02 2x92 h LYS 413 Ca 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2x92 h LYS 413 Cb 0.90 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2x92 h LYS 413 CO 0.08 0.55 0.00 0.44 -0.57 0.00 0.00 179.45 179.95 2x92 n ILE 414 N -4.70 0.58 -1.42 1.86 -5.35 -1.03 -4.94 119.36 104.35 2x92 n ILE 414 Ca 0.15 -0.61 -0.09 0.00 -0.27 0.00 0.00 62.75 61.93 2x92 n ILE 414 Cb 0.29 0.36 -0.03 0.00 -1.74 0.00 0.00 39.64 38.51 2x92 n ILE 414 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x92 n GLY 415 N 1.25 0.93 0.05 3.28 0.00 -0.85 -4.91 105.19 104.95 2x92 n GLY 415 Ca 0.16 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.71 2x92 n GLY 415 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x92 n LEU 416 N -1.12 0.56 -4.01 0.99 4.77 -0.48 -4.81 117.00 112.90 2x92 n LEU 416 Ca -0.10 0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 2x92 n LEU 416 Cb 0.35 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.22 2x92 n LEU 416 CO 0.14 -0.04 -0.47 -0.22 -1.33 0.00 0.00 177.39 175.47 2x92 s LEU 417 N -4.51 2.07 0.07 2.23 2.96 -1.07 -4.78 118.68 115.65 2x92 s LEU 417 Ca -0.00 -0.74 0.09 0.00 -0.22 0.00 0.00 54.13 53.26 2x92 s LEU 417 Cb 0.13 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 2x92 s LEU 417 CO 0.82 -0.11 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.95 2x92 s LYS 418 N 1.43 1.74 -1.37 1.98 1.02 -1.26 -4.37 119.74 118.91 2x92 s LYS 418 Ca 0.01 -1.16 -0.05 0.00 0.02 0.00 0.00 55.97 54.79 2x92 s LYS 418 Cb -0.15 -2.00 0.03 0.00 -0.52 0.00 0.00 37.83 35.19 2x92 s LYS 418 CO -0.09 0.50 0.90 -0.25 -0.92 0.00 0.00 175.35 175.49 2x92 n ASP 419 N 1.47 -3.15 -4.63 2.83 10.43 -1.26 -4.97 116.55 117.27 2x92 n ASP 419 Ca -0.17 -0.74 -0.37 0.00 2.57 0.00 0.00 54.79 56.08 2x92 n ASP 419 Cb 0.52 -4.32 -0.10 0.00 1.84 0.00 0.00 41.12 39.07 2x92 n ASP 419 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2x92 s TYR 420 N -3.46 3.28 -0.24 1.24 5.04 -1.26 -5.07 117.35 116.88 2x92 s TYR 420 Ca 0.28 0.23 -0.07 0.00 -2.44 0.00 0.00 57.07 55.08 2x92 s TYR 420 Cb -0.14 -2.35 -0.03 0.00 0.35 0.00 0.00 41.96 39.79 2x92 s TYR 420 CO 0.79 -0.04 0.07 0.08 -1.34 0.00 0.00 175.55 175.11 2x92 s VAL 421 N 1.41 4.35 -1.20 3.14 1.01 -1.26 -5.03 120.40 122.82 2x92 s VAL 421 Ca 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 2x92 s VAL 421 Cb -0.15 -3.02 0.22 0.00 0.00 0.00 0.00 36.38 33.43 2x92 s VAL 421 CO 0.07 0.35 1.96 -1.14 0.00 0.00 0.00 175.10 176.35 2x92 n ARG 422 N 4.75 4.56 -1.89 2.72 0.63 -1.26 -4.76 116.66 121.42 2x92 n ARG 422 Ca -0.16 -3.98 -0.30 0.00 -0.92 0.00 0.00 57.85 52.49 2x92 n ARG 422 Cb 0.52 -2.64 0.19 0.00 0.45 0.00 0.00 32.46 30.98 2x92 n ARG 422 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2x92 s ASP 423 N -0.36 2.93 0.37 6.15 3.84 -1.26 -4.81 116.67 123.52 2x92 s ASP 423 Ca 0.43 0.26 0.08 0.00 -0.00 0.00 0.00 52.55 53.31 2x92 s ASP 423 Cb 0.14 -0.28 0.80 0.00 -1.38 0.00 0.00 42.92 42.20 2x92 s ASP 423 CO -0.04 -2.85 1.93 0.44 -0.00 0.00 0.00 175.17 174.65 2x92 h ASP 424 N -1.72 0.62 0.34 2.11 3.45 -1.99 -1.26 116.42 117.97 2x92 h ASP 424 Ca -0.44 0.02 -0.26 0.00 0.43 0.00 0.00 57.03 56.77 2x92 h ASP 424 Cb 1.23 -0.11 0.01 0.00 -0.56 0.00 0.00 39.33 39.90 2x92 h ASP 424 CO 0.36 0.37 -1.10 -0.33 -1.57 0.00 0.00 179.24 176.97 2x92 h GLU 425 N 0.69 0.45 -0.51 3.56 5.08 -1.96 -2.17 114.58 119.71 2x92 h GLU 425 Ca 0.35 -0.57 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 2x92 h GLU 425 Cb 0.46 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2x92 h GLU 425 CO -0.13 1.22 0.05 0.00 -1.00 0.00 0.00 179.01 179.15 2x92 h ALA 426 N 0.57 1.13 -0.70 3.43 0.00 -1.79 -2.12 119.26 119.78 2x92 h ALA 426 Ca -0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2x92 h ALA 426 Cb 1.77 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2x92 h ALA 426 CO 0.20 0.57 0.35 -0.09 0.00 0.00 0.00 179.25 180.27 2x92 h ARG 427 N 0.78 1.00 -0.46 0.00 2.43 -1.11 -1.93 114.38 115.08 2x92 h ARG 427 Ca 0.16 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 2x92 h ARG 427 Cb 0.39 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2x92 h ARG 427 CO 0.01 0.77 0.01 0.82 -1.51 0.00 0.00 179.97 180.08 2x92 h ILE 428 N 0.97 1.26 -0.64 1.20 1.08 -1.25 -0.58 117.51 119.56 2x92 h ILE 428 Ca 0.24 -1.03 0.09 0.00 -0.39 0.00 0.00 64.86 63.77 2x92 h ILE 428 Cb 0.10 1.01 -0.07 0.00 -3.07 0.00 0.00 36.82 34.79 2x92 h ILE 428 CO -0.03 0.36 0.27 0.78 -0.69 0.00 0.00 178.15 178.84 2x92 h ASN 429 N 0.66 0.31 -0.22 1.72 2.35 -1.22 0.13 115.58 119.31 2x92 h ASN 429 Ca 0.13 0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 2x92 h ASN 429 Cb 0.48 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 2x92 h ASN 429 CO 0.02 0.18 -0.28 -0.61 -1.65 0.00 0.00 177.43 175.10 2x92 h GLN 430 N 0.48 0.57 -0.58 0.81 5.75 -1.07 -0.04 115.11 121.02 2x92 h GLN 430 Ca 0.32 -0.33 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2x92 h GLN 430 Cb 0.36 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.90 2x92 h GLN 430 CO -0.28 0.93 0.35 -0.07 -2.65 0.00 0.00 178.83 177.10 2x92 h LEU 431 N 0.26 0.56 -0.27 -2.39 3.38 -1.01 -1.15 115.31 114.69 2x92 h LEU 431 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2x92 h LEU 431 Cb 0.85 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2x92 h LEU 431 CO 0.07 0.39 0.09 0.15 0.09 0.00 0.00 178.44 179.23 2x92 h PHE 432 N 0.69 0.44 -0.63 1.13 3.04 -0.85 -0.44 116.94 120.31 2x92 h PHE 432 Ca 0.24 -0.04 0.08 0.00 3.98 0.00 0.00 57.97 62.23 2x92 h PHE 432 Cb 0.04 -0.13 -0.07 0.00 2.56 0.00 0.00 35.95 38.35 2x92 h PHE 432 CO -0.06 0.46 0.28 1.25 -2.02 0.00 0.00 178.31 178.23 2x92 h LEU 433 N 0.28 0.35 -0.53 0.59 5.85 -0.85 -0.31 115.31 120.69 2x92 h LEU 433 Ca 0.09 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 2x92 h LEU 433 Cb 0.23 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2x92 h LEU 433 CO -0.00 0.21 0.12 0.74 -0.34 0.00 0.00 178.44 179.16 2x92 h THR 434 N 0.50 1.24 -0.18 1.05 2.02 -0.93 -2.86 112.91 113.76 2x92 h THR 434 Ca 0.31 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 2x92 h THR 434 Cb 0.33 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2x92 h THR 434 CO -0.26 0.32 -0.00 0.00 0.37 0.00 0.00 175.52 175.94 2x92 h ALA 435 N 1.00 1.67 0.00 6.16 0.00 -0.42 0.68 119.26 128.35 2x92 h ALA 435 Ca 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2x92 h ALA 435 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2x92 h ALA 435 CO 0.00 0.25 -0.03 -0.07 0.00 0.00 0.00 179.25 179.40 2x92 h LEU 436 N 0.25 0.00 0.00 0.00 3.38 -0.84 -1.07 115.31 117.03 2x92 h LEU 436 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2x92 h LEU 436 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2x92 h LEU 436 CO 0.00 0.03 -0.85 0.47 0.09 0.00 0.00 178.44 178.19 2x92 n ASP 437 N -3.29 1.85 0.04 -0.43 10.43 -0.74 -1.00 116.55 123.41 2x92 n ASP 437 Ca -0.02 0.53 -0.19 0.00 2.57 0.00 0.00 54.79 57.68 2x92 n ASP 437 Cb 0.18 -0.86 -0.12 0.00 1.84 0.00 0.00 41.12 42.16 2x92 n ASP 437 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 2x92 h LYS 438 N -1.00 0.48 0.08 -1.24 1.79 -0.79 -2.75 116.57 113.14 2x92 h LYS 438 Ca -0.10 -0.59 -0.11 0.00 -2.18 0.00 0.00 60.65 57.68 2x92 h LYS 438 Cb 0.80 0.18 0.01 0.00 -1.58 0.00 0.00 32.23 31.64 2x92 h LYS 438 CO -0.06 1.22 -0.47 0.82 -1.08 0.00 0.00 179.45 179.89 2x92 h ILE 439 N 0.00 1.63 -0.97 1.86 1.08 -1.42 -3.33 117.51 116.36 2x92 h ILE 439 Ca -0.12 -2.44 0.18 0.00 -0.39 0.00 0.00 64.86 62.09 2x92 h ILE 439 Cb 1.56 3.26 -0.09 0.00 -3.07 0.00 0.00 36.82 38.48 2x92 h ILE 439 CO 0.16 0.67 0.61 0.58 -0.69 0.00 0.00 178.15 179.48 2x92 h VAL 440 N -0.62 0.75 0.00 1.67 2.07 -1.61 -1.88 116.25 116.62 2x92 h VAL 440 Ca -0.08 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 2x92 h VAL 440 Cb 1.36 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2x92 h VAL 440 CO 0.09 0.13 -0.22 0.15 0.02 0.00 0.00 177.57 177.74 2x92 h PHE 441 N 0.70 0.00 0.41 1.57 3.57 -1.46 -3.34 116.94 118.39 2x92 h PHE 441 Ca 0.52 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.00 2x92 h PHE 441 Cb 0.89 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.63 2x92 h PHE 441 CO -0.00 0.22 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.03 2x92 h LEU 442 N 0.00 -0.46 -1.45 0.59 3.38 -1.45 0.33 115.31 116.26 2x92 h LEU 442 Ca -0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2x92 h LEU 442 Cb 0.40 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2x92 h LEU 442 CO 0.03 -0.28 -0.04 1.55 0.09 0.00 0.00 178.44 179.78 2x92 h PRO 443 N -0.60 0.31 0.28 1.13 0.13 -1.74 -1.80 132.00 129.69 2x92 h PRO 443 Ca -0.06 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2x92 h PRO 443 Cb 0.45 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 2x92 h PRO 443 CO 0.09 0.37 -0.22 0.35 -0.23 0.00 0.00 178.00 178.36 2x92 h PHE 444 N 0.30 -0.57 -0.71 1.56 3.57 -1.57 -2.29 116.94 117.23 2x92 h PHE 444 Ca 0.07 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2x92 h PHE 444 Cb 0.28 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 2x92 h PHE 444 CO 0.01 -0.33 0.43 0.00 -2.23 0.00 0.00 178.31 176.19 2x92 h ALA 445 N 0.17 1.43 -0.61 2.41 0.00 -0.66 -2.26 119.26 119.74 2x92 h ALA 445 Ca -0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2x92 h ALA 445 Cb 0.44 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2x92 h ALA 445 CO -0.01 0.50 0.10 0.35 0.00 0.00 0.00 179.25 180.18 2x92 h PHE 446 N 0.97 1.07 -0.01 0.00 3.04 -1.18 -3.13 116.94 117.69 2x92 h PHE 446 Ca 0.26 -0.15 -0.12 0.00 3.98 0.00 0.00 57.97 61.94 2x92 h PHE 446 Cb -0.05 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.15 2x92 h PHE 446 CO 0.00 0.92 -0.55 1.79 -2.02 0.00 0.00 178.31 178.45 2x92 h THR 447 N 0.91 1.40 -0.62 4.41 1.35 -0.84 -0.99 112.91 118.53 2x92 h THR 447 Ca 0.18 -1.89 0.02 0.00 -0.55 0.00 0.00 66.41 64.17 2x92 h THR 447 Cb 0.42 2.01 -0.04 0.00 -1.73 0.00 0.00 68.15 68.82 2x92 h THR 447 CO 0.01 0.54 0.39 0.24 -0.25 0.00 0.00 175.52 176.45 2x92 h MET 448 N 0.02 0.75 0.13 4.72 2.86 -1.42 -0.87 114.93 121.12 2x92 h MET 448 Ca -0.00 -0.05 -0.33 0.00 -2.06 0.00 0.00 59.70 57.26 2x92 h MET 448 Cb 0.98 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 2x92 h MET 448 CO 0.07 0.50 -1.68 -0.44 1.06 0.00 0.00 176.91 176.42 2x92 h ASP 449 N 0.77 0.45 -0.92 1.22 3.45 -1.63 -3.08 116.42 116.68 2x92 h ASP 449 Ca 0.24 -0.69 0.18 0.00 0.43 0.00 0.00 57.03 57.19 2x92 h ASP 449 Cb -0.01 -0.15 -0.11 0.00 -0.56 0.00 0.00 39.33 38.50 2x92 h ASP 449 CO -0.09 1.59 0.51 0.11 -1.57 0.00 0.00 179.24 179.79 2x92 h LYS 450 N 0.08 0.63 0.22 3.56 1.57 -1.11 0.64 116.57 122.15 2x92 h LYS 450 Ca -0.30 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2x92 h LYS 450 Cb 2.05 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.22 2x92 h LYS 450 CO 0.15 0.41 -0.11 -0.92 -0.57 0.00 0.00 179.45 178.42 2x92 h TYR 451 N 0.64 -0.28 -0.39 -1.35 3.20 -1.26 -2.07 116.97 115.47 2x92 h TYR 451 Ca 0.53 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.29 2x92 h TYR 451 Cb 0.84 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 2x92 h TYR 451 CO -0.06 -0.01 -0.20 0.00 -1.64 0.00 0.00 178.16 176.25 2x92 h ARG 452 N -0.53 0.75 -0.58 1.82 3.08 -1.26 -1.98 114.38 115.69 2x92 h ARG 452 Ca -0.03 -0.29 0.07 0.00 0.07 0.00 0.00 59.98 59.80 2x92 h ARG 452 Cb 0.39 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 2x92 h ARG 452 CO 0.05 0.89 0.26 -1.49 -1.07 0.00 0.00 179.97 178.61 2x92 h TRP 453 N 0.66 0.47 -0.23 3.04 6.55 0.23 0.87 115.95 127.55 2x92 h TRP 453 Ca 0.10 0.03 -0.07 0.00 0.95 0.00 0.00 58.89 59.89 2x92 h TRP 453 Cb 0.69 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.85 2x92 h TRP 453 CO 0.03 0.19 -0.18 0.66 -1.05 0.00 0.00 178.44 178.10 2x92 h SER 454 N 0.49 0.38 -0.08 -3.49 4.64 -0.67 0.34 113.55 115.16 2x92 h SER 454 Ca 0.27 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 2x92 h SER 454 Cb 0.25 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2x92 h SER 454 CO -0.23 0.58 -0.33 -0.07 -0.87 0.00 0.00 176.83 175.91 2x92 h LEU 455 N 0.36 0.42 -1.08 5.97 3.38 -1.06 -0.39 115.31 122.92 2x92 h LEU 455 Ca 0.06 -0.64 0.06 0.00 0.09 0.00 0.00 57.88 57.45 2x92 h LEU 455 Cb 0.52 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2x92 h LEU 455 CO 0.03 0.99 0.62 -0.26 0.09 0.00 0.00 178.44 179.91 2x92 h PHE 456 N -0.12 1.13 -0.00 1.13 0.05 -0.53 -2.41 116.94 116.19 2x92 h PHE 456 Ca -0.02 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.80 2x92 h PHE 456 Cb 0.97 -0.37 0.00 0.00 2.00 0.00 0.00 35.95 38.55 2x92 h PHE 456 CO 0.12 0.61 -0.05 0.54 -0.18 0.00 0.00 178.31 179.35 2x92 n ARG 457 N -4.48 0.75 -2.15 1.51 1.74 0.08 -4.55 116.66 109.56 2x92 n ARG 457 Ca 0.14 -0.18 -0.07 0.00 -0.77 0.00 0.00 57.85 56.97 2x92 n ARG 457 Cb 0.17 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2x92 n ARG 457 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x92 n GLY 458 N 1.22 0.07 0.06 -0.13 0.00 -0.91 -4.94 105.19 100.56 2x92 n GLY 458 Ca 0.17 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.73 2x92 n GLY 458 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x92 h GLU 459 N -0.02 0.00 -5.15 1.61 5.08 -1.30 -3.45 114.58 111.36 2x92 h GLU 459 Ca -0.18 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.53 2x92 h GLU 459 Cb 1.13 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.05 2x92 h GLU 459 CO 0.21 0.00 -0.87 0.08 -1.00 0.00 0.00 179.01 177.43 2x92 s VAL 460 N -3.19 1.91 0.42 3.13 1.01 -1.23 -5.04 120.40 117.41 2x92 s VAL 460 Ca 0.05 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 2x92 s VAL 460 Cb 0.13 -1.68 -0.08 0.00 0.00 0.00 0.00 36.38 34.76 2x92 s VAL 460 CO 0.74 0.52 1.18 -1.81 0.00 0.00 0.00 175.10 175.74 2x92 s ASP 461 N 0.61 6.36 0.44 3.32 1.01 -1.26 -4.91 116.67 122.24 2x92 s ASP 461 Ca -0.13 2.36 0.23 0.00 0.71 0.00 0.00 52.55 55.72 2x92 s ASP 461 Cb -0.17 -2.61 1.21 0.00 1.01 0.00 0.00 42.92 42.37 2x92 s ASP 461 CO 0.04 -0.79 1.80 0.11 0.21 0.00 0.00 175.17 176.54 2x92 h LYS 462 N 2.42 0.28 0.00 8.23 1.57 -1.99 0.17 116.57 127.25 2x92 h LYS 462 Ca -0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2x92 h LYS 462 Cb 1.24 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2x92 h LYS 462 CO 0.62 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 179.68 2x92 h ALA 463 N 1.58 1.00 -0.08 3.86 0.00 -2.00 -3.07 119.26 120.54 2x92 h ALA 463 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2x92 h ALA 463 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2x92 h ALA 463 CO -0.20 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.14 2x92 n ASN 464 N -2.49 2.51 -0.23 0.00 5.03 0.60 -4.82 115.26 115.86 2x92 n ASN 464 Ca 0.00 -2.52 -0.08 0.00 0.87 0.00 0.00 54.58 52.86 2x92 n ASN 464 Cb 0.18 -0.26 0.03 0.00 -1.02 0.00 0.00 39.78 38.71 2x92 n ASN 464 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 2x92 h TRP 465 N 0.53 1.03 -0.13 3.10 4.06 -1.52 -1.57 115.95 121.45 2x92 h TRP 465 Ca 0.00 -0.11 -0.22 0.00 2.06 0.00 0.00 58.89 60.63 2x92 h TRP 465 Cb 0.83 -0.30 0.01 0.00 -1.00 0.00 0.00 29.16 28.71 2x92 h TRP 465 CO 0.10 0.84 -0.77 -0.97 -3.56 0.00 0.00 178.44 174.08 2x92 h ASN 466 N 0.92 0.91 0.96 -3.49 -1.24 -1.86 -2.95 115.58 108.84 2x92 h ASN 466 Ca 0.21 -0.64 -0.08 0.00 0.71 0.00 0.00 56.30 56.49 2x92 h ASN 466 Cb 0.30 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 2x92 h ASN 466 CO -0.01 1.41 -0.38 0.00 -1.29 0.00 0.00 177.43 177.17 2x92 h ALA 468 N 1.62 1.55 0.47 0.00 0.00 -1.28 0.93 119.26 122.55 2x92 h ALA 468 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2x92 h ALA 468 Cb 0.96 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2x92 h ALA 468 CO 0.05 0.40 -0.23 0.35 0.00 0.00 0.00 179.25 179.82 2x92 h PHE 469 N 0.77 -0.59 0.00 0.00 3.57 -1.25 -3.04 116.94 116.40 2x92 h PHE 469 Ca 0.20 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 2x92 h PHE 469 Cb -0.04 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2x92 h PHE 469 CO 0.00 -0.27 -0.31 -1.49 -2.23 0.00 0.00 178.31 174.01 2x92 h TRP 470 N -0.90 0.00 -0.55 0.41 4.06 -1.38 -2.31 115.95 115.28 2x92 h TRP 470 Ca -0.06 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.93 2x92 h TRP 470 Cb 0.58 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.70 2x92 h TRP 470 CO 0.01 0.31 0.29 0.87 -3.56 0.00 0.00 178.44 176.35 2x92 h LYS 471 N 0.00 0.54 -0.35 0.49 1.57 -0.87 -0.56 116.57 117.38 2x92 h LYS 471 Ca -0.00 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 2x92 h LYS 471 Cb 0.56 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2x92 h LYS 471 CO 0.04 0.36 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.10 2x92 h LEU 472 N 0.55 0.70 -1.55 2.94 3.38 -1.33 -0.16 115.31 119.86 2x92 h LEU 472 Ca 0.24 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2x92 h LEU 472 Cb 0.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2x92 h LEU 472 CO -0.16 0.92 0.18 0.03 0.09 0.00 0.00 178.44 179.50 2x92 h ARG 473 N 0.48 0.49 0.56 1.13 2.47 -1.23 -1.33 114.38 116.94 2x92 h ARG 473 Ca 0.09 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 2x92 h ARG 473 Cb 0.62 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 28.84 2x92 h ARG 473 CO 0.04 0.37 -0.27 0.22 0.56 0.00 0.00 179.97 180.89 2x92 h ASP 474 N 0.49 -0.63 -0.72 7.04 -0.00 -0.96 -2.17 116.42 119.47 2x92 h ASP 474 Ca 0.13 0.02 0.12 0.00 -0.00 0.00 0.00 57.03 57.29 2x92 h ASP 474 Cb 0.03 0.16 -0.08 0.00 -0.00 0.00 0.00 39.33 39.44 2x92 h ASP 474 CO -0.02 -0.23 0.31 -0.08 -0.00 0.00 0.00 179.24 179.22 2x92 h GLU 475 N -1.20 0.48 0.04 0.28 4.81 -0.78 -0.66 114.58 117.55 2x92 h GLU 475 Ca -0.08 -0.03 -0.38 0.00 -0.13 0.00 0.00 59.36 58.75 2x92 h GLU 475 Cb 0.58 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 2x92 h GLU 475 CO 0.13 0.31 -2.23 0.66 -0.73 0.00 0.00 179.01 177.15 2x92 n TYR 476 N -4.96 0.49 0.04 0.92 4.01 -0.52 -4.62 117.16 112.52 2x92 n TYR 476 Ca 0.13 0.12 0.11 0.00 -0.16 0.00 0.00 57.90 58.10 2x92 n TYR 476 Cb 0.35 -1.06 -0.17 0.00 -0.31 0.00 0.00 39.34 38.16 2x92 n TYR 476 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2x92 n SER 477 N -3.58 0.09 -2.37 7.72 7.64 -0.86 -4.84 113.62 117.42 2x92 n SER 477 Ca -0.42 -0.05 -0.17 0.00 1.01 0.00 0.00 58.87 59.25 2x92 n SER 477 Cb 0.97 1.94 0.03 0.00 -1.01 0.00 0.00 64.21 66.14 2x92 n SER 477 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x92 n GLY 478 N 1.28 -0.18 3.48 0.23 0.00 -0.26 -4.95 105.19 104.80 2x92 n GLY 478 Ca -0.04 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 2x92 n GLY 478 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2x92 s ILE 479 N -3.06 2.09 0.08 -0.61 -5.25 -1.20 -1.06 121.20 112.20 2x92 s ILE 479 Ca 0.27 -2.23 -0.12 0.00 -0.99 0.00 0.00 60.65 57.58 2x92 s ILE 479 Cb -0.12 -2.46 0.02 0.00 2.95 0.00 0.00 42.46 42.85 2x92 s ILE 479 CO 0.33 -0.31 0.28 -1.83 -1.79 0.00 0.00 174.94 171.62 2x92 s GLU 480 N -3.62 0.89 0.70 0.37 -1.05 -0.55 -3.72 118.70 111.71 2x92 s GLU 480 Ca 0.30 -0.74 -0.16 0.00 -0.15 0.00 0.00 54.97 54.22 2x92 s GLU 480 Cb 0.01 0.38 0.01 0.00 -0.44 0.00 0.00 34.13 34.08 2x92 s GLU 480 CO 0.14 -0.30 1.14 -2.30 0.95 0.00 0.00 175.26 174.89 2x92 n PRO 481 N 0.12 0.71 0.25 -4.83 -0.02 -1.26 -0.58 135.00 129.40 2x92 n PRO 481 Ca -0.17 0.30 0.16 0.00 -2.02 0.00 0.00 63.50 61.78 2x92 n PRO 481 Cb 0.62 -2.38 0.62 0.00 -0.02 0.00 0.00 33.50 32.34 2x92 n PRO 481 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2x92 h PRO 482 N -0.01 0.00 -4.92 0.52 0.13 -1.95 -3.43 132.00 122.33 2x92 h PRO 482 Ca -0.49 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.34 2x92 h PRO 482 Cb 1.33 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.32 2x92 h PRO 482 CO 0.49 0.00 -0.69 0.14 -0.23 0.00 0.00 178.00 177.71 2x92 s VAL 483 N -3.58 0.95 0.08 1.56 -7.23 -1.26 -5.08 120.40 105.84 2x92 s VAL 483 Ca 0.02 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 57.87 2x92 s VAL 483 Cb 0.09 -1.92 -0.08 0.00 0.56 0.00 0.00 36.38 35.03 2x92 s VAL 483 CO 0.53 -0.68 1.56 -0.69 -0.31 0.00 0.00 175.10 175.51 2x92 s VAL 484 N -3.47 3.13 0.38 1.32 1.01 -1.26 -4.91 120.40 116.59 2x92 s VAL 484 Ca 0.18 0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.89 2x92 s VAL 484 Cb 0.04 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2x92 s VAL 484 CO 0.01 0.01 0.21 -0.13 0.00 0.00 0.00 175.10 175.20 2x92 s ARG 485 N 2.13 2.39 0.07 2.72 1.81 0.13 -5.01 118.95 123.20 2x92 s ARG 485 Ca 0.70 -1.61 -0.01 0.00 -1.72 0.00 0.00 55.73 53.09 2x92 s ARG 485 Cb -0.38 -2.19 0.00 0.00 -0.45 0.00 0.00 34.95 31.93 2x92 s ARG 485 CO 0.31 -0.01 0.11 -1.13 -0.68 0.00 0.00 175.30 173.90 2x92 n SER 486 N -1.27 -0.32 0.00 0.23 3.41 -1.26 -0.86 113.62 113.54 2x92 n SER 486 Ca -0.01 -1.37 0.11 0.00 -0.26 0.00 0.00 58.87 57.34 2x92 n SER 486 Cb 0.62 0.58 0.65 0.00 -0.26 0.00 0.00 64.21 65.80 2x92 n SER 486 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2x92 n GLU 487 N -0.11 0.72 0.13 4.33 -0.58 -1.25 -1.35 120.64 122.52 2x92 n GLU 487 Ca -0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.86 2x92 n GLU 487 Cb 0.12 -1.47 0.32 0.00 -0.57 0.00 0.00 31.44 29.83 2x92 n GLU 487 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2x92 h LYS 488 N 0.00 0.00 -6.20 3.49 1.57 -1.95 -3.45 116.57 110.03 2x92 h LYS 488 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 2x92 h LYS 488 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2x92 h LYS 488 CO 0.00 0.00 -0.50 -0.51 -0.57 0.00 0.00 179.45 177.87 2x92 s ASP 489 N -4.96 5.67 -0.30 0.86 -0.00 -0.46 -5.03 116.67 112.44 2x92 s ASP 489 Ca 0.09 -0.20 -0.02 0.00 -0.00 0.00 0.00 52.55 52.43 2x92 s ASP 489 Cb 0.10 -1.48 0.12 0.00 -0.00 0.00 0.00 42.92 41.67 2x92 s ASP 489 CO 0.63 -0.06 0.21 0.12 -0.00 0.00 0.00 175.17 176.07 2x92 s PHE 490 N -2.11 0.06 -0.14 4.23 5.36 -1.26 -4.71 117.98 119.41 2x92 s PHE 490 Ca 0.33 -0.73 0.21 0.00 -0.96 0.00 0.00 56.93 55.78 2x92 s PHE 490 Cb -0.08 -0.72 -0.16 0.00 -0.34 0.00 0.00 43.02 41.72 2x92 s PHE 490 CO 0.26 -0.87 0.73 -0.25 -1.46 0.00 0.00 175.22 173.63 2x92 n ASP 491 N 5.06 0.51 -0.22 6.13 8.00 -1.26 -1.05 116.55 133.73 2x92 n ASP 491 Ca -0.01 0.21 0.01 0.00 0.71 0.00 0.00 54.79 55.71 2x92 n ASP 491 Cb 0.43 0.92 0.13 0.00 -0.02 0.00 0.00 41.12 42.57 2x92 n ASP 491 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x92 h ALA 492 N 1.78 0.84 0.00 2.24 0.00 -1.94 -2.06 119.26 120.12 2x92 h ALA 492 Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2x92 h ALA 492 Cb 1.24 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2x92 h ALA 492 CO 0.01 -0.22 0.00 -2.30 0.00 0.00 0.00 179.25 176.75 2x92 n PRO 493 N -5.02 0.36 0.03 0.00 -0.02 -1.26 -2.24 135.00 126.85 2x92 n PRO 493 Ca 0.10 0.07 0.07 0.00 -2.02 0.00 0.00 63.50 61.72 2x92 n PRO 493 Cb 0.32 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.60 2x92 n PRO 493 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x92 n ALA 494 N -1.15 1.54 -2.68 3.55 0.00 -0.77 -4.06 120.51 116.94 2x92 n ALA 494 Ca 0.10 -0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 2x92 n ALA 494 Cb 0.09 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 2x92 n ALA 494 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2x92 s LYS 495 N -3.07 4.18 0.20 0.00 2.47 -0.95 -4.91 119.74 117.66 2x92 s LYS 495 Ca 0.05 0.16 -0.20 0.00 -1.56 0.00 0.00 55.97 54.42 2x92 s LYS 495 Cb 0.08 -3.52 0.17 0.00 -1.46 0.00 0.00 37.83 33.10 2x92 s LYS 495 CO 0.24 0.01 1.57 -0.92 0.16 0.00 0.00 175.35 176.41 2x92 h TYR 496 N 7.27 -1.00 -0.22 4.03 3.20 -1.89 -0.74 116.97 127.62 2x92 h TYR 496 Ca -0.37 0.09 0.06 0.00 3.14 0.00 0.00 58.73 61.64 2x92 h TYR 496 Cb 1.16 0.55 -0.01 0.00 1.54 0.00 0.00 36.73 39.97 2x92 h TYR 496 CO 0.67 -0.39 0.16 0.45 -1.64 0.00 0.00 178.16 177.40 2x92 h HIS 497 N -0.10 0.03 -0.01 -3.82 3.86 -1.92 0.25 115.15 113.44 2x92 h HIS 497 Ca 0.28 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.33 2x92 h HIS 497 Cb 0.57 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 29.04 2x92 h HIS 497 CO -0.74 0.02 -0.60 0.82 0.86 0.00 0.00 177.93 178.29 2x92 h ILE 498 N 0.03 1.42 -0.18 2.45 2.04 -1.41 0.27 117.51 122.13 2x92 h ILE 498 Ca 0.10 -2.05 -0.06 0.00 1.00 0.00 0.00 64.86 63.85 2x92 h ILE 498 Cb 0.38 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 2x92 h ILE 498 CO -0.01 0.60 -0.16 0.28 0.00 0.00 0.00 178.15 178.86 2x92 h SER 499 N -0.07 0.28 -0.30 1.72 0.02 -0.94 -3.18 113.55 111.08 2x92 h SER 499 Ca -0.07 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2x92 h SER 499 Cb 1.30 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2x92 h SER 499 CO 0.12 0.47 0.00 0.00 -1.14 0.00 0.00 176.83 176.28 2x92 n ALA 500 N -2.48 2.45 -3.54 3.77 0.00 0.78 -3.81 120.51 117.67 2x92 n ALA 500 Ca -0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 53.44 52.36 2x92 n ALA 500 Cb 0.31 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 18.90 2x92 n ALA 500 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2x92 n ASP 501 N 1.26 -3.27 -4.24 0.00 4.64 -0.60 -5.00 116.55 109.35 2x92 n ASP 501 Ca 0.18 -0.79 -0.35 0.00 -1.38 0.00 0.00 54.79 52.46 2x92 n ASP 501 Cb 0.56 -4.42 -0.14 0.00 -1.04 0.00 0.00 41.12 36.07 2x92 n ASP 501 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2x92 s VAL 502 N -3.51 3.04 0.33 5.18 1.01 -0.02 -5.05 120.40 121.38 2x92 s VAL 502 Ca 0.18 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 2x92 s VAL 502 Cb -0.04 -2.46 -0.13 0.00 0.00 0.00 0.00 36.38 33.75 2x92 s VAL 502 CO 0.79 0.31 1.18 1.21 0.00 0.00 0.00 175.10 178.59 2x92 n GLU 503 N 4.73 1.81 -0.01 2.72 0.00 -1.26 -4.65 120.64 123.98 2x92 n GLU 503 Ca -0.17 0.64 0.07 0.00 0.00 0.00 0.00 57.16 57.69 2x92 n GLU 503 Cb 0.49 -2.15 -0.10 0.00 0.00 0.00 0.00 31.44 29.68 2x92 n GLU 503 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2x92 n TYR 504 N 0.24 0.00 0.04 4.31 9.36 -1.26 -4.50 117.16 125.35 2x92 n TYR 504 Ca 0.07 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.47 2x92 n TYR 504 Cb 0.35 -0.30 0.69 0.00 -0.63 0.00 0.00 39.34 39.45 2x92 n TYR 504 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2x92 h LEU 505 N 0.00 0.00 -1.39 2.98 5.85 -1.92 0.53 115.31 121.36 2x92 h LEU 505 Ca 0.00 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.01 2x92 h LEU 505 Cb 0.61 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 2x92 h LEU 505 CO 0.00 0.00 0.70 0.08 -0.34 0.00 0.00 178.44 178.88 2x92 h ARG 506 N 0.00 0.32 0.12 1.25 0.11 -1.89 -0.48 114.38 113.82 2x92 h ARG 506 Ca 0.21 -0.02 -0.27 0.00 0.10 0.00 0.00 59.98 60.00 2x92 h ARG 506 Cb 0.87 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.88 2x92 h ARG 506 CO -0.00 0.21 -1.23 1.88 0.10 0.00 0.00 179.97 180.94 2x92 h TYR 507 N 0.33 0.54 -0.05 4.08 0.05 -1.21 -0.17 116.97 120.55 2x92 h TYR 507 Ca 0.63 -0.38 -0.00 0.00 0.05 0.00 0.00 58.73 59.03 2x92 h TYR 507 Cb 1.68 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 39.40 2x92 h TYR 507 CO -0.00 1.29 0.03 1.25 -1.05 0.00 0.00 178.16 179.67 2x92 h LEU 508 N 0.09 0.06 -0.46 3.88 5.85 -1.39 -1.21 115.31 122.13 2x92 h LEU 508 Ca -0.14 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.55 2x92 h LEU 508 Cb 1.94 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.92 2x92 h LEU 508 CO 0.20 0.10 0.26 0.58 -0.34 0.00 0.00 178.44 179.24 2x92 h VAL 509 N 0.01 1.01 -0.11 1.05 2.07 -1.12 -2.82 116.25 116.35 2x92 h VAL 509 Ca 0.02 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2x92 h VAL 509 Cb 0.05 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2x92 h VAL 509 CO -0.00 0.09 -0.04 -1.28 0.02 0.00 0.00 177.57 176.36 2x92 h SER 510 N 0.51 -0.15 0.15 0.57 0.87 -0.91 -0.40 113.55 114.20 2x92 h SER 510 Ca 0.19 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 2x92 h SER 510 Cb 0.05 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2x92 h SER 510 CO -0.11 -0.06 -0.07 -0.26 -0.53 0.00 0.00 176.83 175.80 2x92 h PHE 511 N -0.02 0.00 0.05 2.24 0.05 -1.05 0.14 116.94 118.34 2x92 h PHE 511 Ca 0.06 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.85 2x92 h PHE 511 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.07 2x92 h PHE 511 CO -0.17 0.07 -0.02 0.82 -0.18 0.00 0.00 178.31 178.83 2x92 h ILE 512 N 0.00 0.51 0.00 -0.55 2.04 -1.23 -3.39 117.51 114.88 2x92 h ILE 512 Ca -0.00 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 2x92 h ILE 512 Cb 0.17 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2x92 h ILE 512 CO 0.01 0.17 -0.24 0.16 0.00 0.00 0.00 178.15 178.24 2x92 h ILE 513 N -1.00 0.65 0.00 -0.67 3.07 -0.76 -2.82 117.51 115.98 2x92 h ILE 513 Ca -0.01 -1.10 -0.02 0.00 1.55 0.00 0.00 64.86 65.28 2x92 h ILE 513 Cb 0.32 1.71 -0.00 0.00 -0.27 0.00 0.00 36.82 38.58 2x92 h ILE 513 CO 0.01 0.24 -0.11 0.06 -1.05 0.00 0.00 178.15 177.30 2x92 h GLN 514 N 0.00 0.00 0.00 0.16 3.07 -0.92 -0.36 115.11 117.05 2x92 h GLN 514 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.57 2x92 h GLN 514 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.23 2x92 h GLN 514 CO 0.03 0.11 -0.78 0.74 0.09 0.00 0.00 178.83 179.02 2x92 h PHE 515 N 0.00 0.00 -0.34 0.06 0.04 -1.70 0.57 116.94 115.56 2x92 h PHE 515 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2x92 h PHE 515 Cb 0.21 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 2x92 h PHE 515 CO 0.00 0.78 0.07 1.96 -0.60 0.00 0.00 178.31 180.52 2x92 h GLN 516 N 0.00 0.56 -0.28 1.51 4.20 -1.21 -1.36 115.11 118.54 2x92 h GLN 516 Ca -0.01 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 2x92 h GLN 516 Cb 1.44 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 2x92 h GLN 516 CO 0.10 0.63 0.03 0.74 -0.67 0.00 0.00 178.83 179.66 2x92 h PHE 517 N 0.40 0.51 -0.29 2.96 0.05 -1.10 -2.78 116.94 116.69 2x92 h PHE 517 Ca 0.11 -0.08 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 2x92 h PHE 517 Cb 0.33 -0.14 -0.01 0.00 2.00 0.00 0.00 35.95 38.13 2x92 h PHE 517 CO 0.02 0.60 0.13 -0.92 -0.18 0.00 0.00 178.31 177.95 2x92 h TYR 518 N 0.28 0.44 -0.09 -0.55 3.20 -0.88 0.03 116.97 119.39 2x92 h TYR 518 Ca 0.08 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.93 2x92 h TYR 518 Cb 0.38 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2x92 h TYR 518 CO 0.03 0.41 0.02 -0.22 -1.64 0.00 0.00 178.16 176.76 2x92 h LYS 519 N 0.33 0.06 -0.42 1.82 3.64 -1.29 0.10 116.57 120.81 2x92 h LYS 519 Ca 0.10 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2x92 h LYS 519 Cb 0.15 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2x92 h LYS 519 CO -0.01 0.04 0.16 0.77 -2.27 0.00 0.00 179.45 178.13 2x92 h SER 520 N 0.06 0.59 -0.91 4.20 0.02 -1.42 -1.48 113.55 114.61 2x92 h SER 520 Ca 0.04 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2x92 h SER 520 Cb 0.03 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 2x92 h SER 520 CO -0.05 0.61 0.60 0.00 -1.14 0.00 0.00 176.83 176.85 2x92 h ALA 521 N 1.00 1.38 -0.34 3.77 0.00 -0.79 -1.28 119.26 123.01 2x92 h ALA 521 Ca 0.14 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2x92 h ALA 521 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2x92 h ALA 521 CO -0.01 0.55 -0.36 0.00 0.00 0.00 0.00 179.25 179.43 2x92 h ILE 523 N 0.64 1.20 -0.54 0.00 2.04 -0.92 0.84 117.51 120.78 2x92 h ILE 523 Ca 0.06 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2x92 h ILE 523 Cb 0.91 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2x92 h ILE 523 CO 0.08 0.22 0.25 0.11 0.00 0.00 0.00 178.15 178.82 2x92 h LYS 524 N 0.45 0.75 0.00 2.37 1.57 -1.10 -2.12 116.57 118.50 2x92 h LYS 524 Ca 0.12 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2x92 h LYS 524 Cb 0.21 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2x92 h LYS 524 CO -0.01 0.59 0.00 0.00 -0.57 0.00 0.00 179.45 179.46 2x92 n ALA 525 N -2.46 2.25 -1.09 3.86 0.00 -0.17 -4.72 120.51 118.18 2x92 n ALA 525 Ca 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 2x92 n ALA 525 Cb 0.13 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 2x92 n ALA 525 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x92 n GLY 526 N 1.03 0.62 0.15 0.00 0.00 -0.80 -4.92 105.19 101.27 2x92 n GLY 526 Ca 0.10 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.81 2x92 n GLY 526 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x92 n GLN 527 N -2.38 0.43 -3.78 1.61 1.13 0.25 -4.85 117.38 109.79 2x92 n GLN 527 Ca -0.03 -0.31 -0.20 0.00 -1.94 0.00 0.00 57.00 54.52 2x92 n GLN 527 Cb 0.17 -1.49 -0.17 0.00 0.11 0.00 0.00 30.24 28.86 2x92 n GLN 527 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2x92 s TYR 528 N -2.78 0.33 -0.12 1.08 5.04 -0.98 -4.57 117.35 115.36 2x92 s TYR 528 Ca 0.15 0.04 -0.02 0.00 -2.44 0.00 0.00 57.07 54.80 2x92 s TYR 528 Cb 0.18 -0.56 0.04 0.00 0.35 0.00 0.00 41.96 41.97 2x92 s TYR 528 CO 0.68 -0.21 0.01 0.34 -1.34 0.00 0.00 175.55 175.03 2x92 s ASP 529 N 1.74 2.06 0.14 4.32 3.68 -1.18 -4.46 116.67 122.96 2x92 s ASP 529 Ca 0.00 -0.34 0.13 0.00 2.13 0.00 0.00 52.55 54.47 2x92 s ASP 529 Cb -0.13 -0.50 0.62 0.00 -1.45 0.00 0.00 42.92 41.46 2x92 s ASP 529 CO -0.03 -0.23 1.39 -0.81 0.13 0.00 0.00 175.17 175.62 2x92 n PRO 530 N 5.11 0.07 -0.37 4.34 -0.04 -1.26 -1.84 135.00 141.02 2x92 n PRO 530 Ca -0.08 0.49 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 2x92 n PRO 530 Cb 0.49 -1.70 0.23 0.00 -0.04 0.00 0.00 33.50 32.48 2x92 n PRO 530 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2x92 n ASP 531 N -1.84 3.61 -3.84 3.54 8.00 -1.26 -4.90 116.55 119.85 2x92 n ASP 531 Ca 0.01 -2.72 -0.28 0.00 0.71 0.00 0.00 54.79 52.51 2x92 n ASP 531 Cb 0.08 -0.45 -0.17 0.00 -0.02 0.00 0.00 41.12 40.56 2x92 n ASP 531 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2x92 s ASN 532 N -1.65 2.76 0.59 -2.24 3.84 -0.76 -5.01 114.94 112.47 2x92 s ASN 532 Ca 0.36 -0.67 0.38 0.00 0.21 0.00 0.00 52.86 53.15 2x92 s ASN 532 Cb 0.28 -0.79 1.86 0.00 -0.55 0.00 0.00 41.25 42.04 2x92 s ASN 532 CO 0.11 -0.22 2.15 1.62 -2.79 0.00 0.00 177.10 177.97 2x92 h VAL 533 N 6.43 0.00 0.00 -5.21 3.04 -1.91 -1.95 116.25 116.65 2x92 h VAL 533 Ca -0.21 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2x92 h VAL 533 Cb 1.11 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 2x92 h VAL 533 CO 0.37 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.60 2x92 h GLU 534 N 0.00 0.00 -2.18 4.17 4.39 -1.95 -3.37 114.58 115.64 2x92 h GLU 534 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 2x92 h GLU 534 Cb 0.24 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.47 2x92 h GLU 534 CO 0.00 0.00 -0.65 1.28 -1.16 0.00 0.00 179.01 178.48 2x92 n LEU 535 N -2.61 3.45 -4.82 1.33 4.77 -0.73 -5.09 117.00 113.29 2x92 n LEU 535 Ca 0.05 -5.39 -0.33 0.00 -0.03 0.00 0.00 56.01 50.31 2x92 n LEU 535 Cb 0.47 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 2x92 n LEU 535 CO 0.32 2.09 0.66 -2.16 -1.33 0.00 0.00 177.39 176.97 2x92 s PRO 536 N -2.45 4.15 0.35 3.23 0.04 -1.26 -3.10 135.00 135.97 2x92 s PRO 536 Ca 0.40 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.57 2x92 s PRO 536 Cb 0.17 -2.17 0.65 0.00 0.04 0.00 0.00 34.50 33.19 2x92 s PRO 536 CO -0.03 -0.10 2.00 1.25 0.04 0.00 0.00 177.00 180.16 2x92 h LEU 537 N 1.69 0.67 0.00 -3.56 5.85 -1.93 -2.44 115.31 115.60 2x92 h LEU 537 Ca -0.49 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2x92 h LEU 537 Cb 1.18 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2x92 h LEU 537 CO 0.61 0.52 0.00 -0.90 -0.34 0.00 0.00 178.44 178.33 2x92 n ASP 538 N -4.42 0.00 -0.86 1.25 5.75 -1.26 -2.69 116.55 114.32 2x92 n ASP 538 Ca 0.05 -0.23 0.04 0.00 -0.01 0.00 0.00 54.79 54.64 2x92 n ASP 538 Cb 0.07 -0.20 0.16 0.00 -1.03 0.00 0.00 41.12 40.13 2x92 n ASP 538 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2x92 n ASN 539 N -1.20 1.76 -4.73 -1.12 5.15 -0.92 -4.82 115.26 109.37 2x92 n ASN 539 Ca 0.12 -3.55 -0.40 0.00 -0.60 0.00 0.00 54.58 50.15 2x92 n ASN 539 Cb 0.15 -0.48 -0.04 0.00 -0.53 0.00 0.00 39.78 38.87 2x92 n ASN 539 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x92 s ASP 541 N 0.52 3.48 0.00 0.00 3.68 -1.26 -4.42 116.67 118.67 2x92 s ASP 541 Ca 0.41 -0.88 0.24 0.00 2.13 0.00 0.00 52.55 54.46 2x92 s ASP 541 Cb -0.20 -1.41 0.76 0.00 -1.45 0.00 0.00 42.92 40.62 2x92 s ASP 541 CO 0.22 -0.09 1.57 2.30 0.13 0.00 0.00 175.17 179.31 2x92 n ILE 542 N 4.60 0.13 -1.60 4.11 -5.35 -1.26 -4.95 119.36 115.05 2x92 n ILE 542 Ca -0.17 -0.37 -0.49 0.00 -0.27 0.00 0.00 62.75 61.44 2x92 n ILE 542 Cb 0.47 0.63 -0.04 0.00 -1.74 0.00 0.00 39.64 38.96 2x92 n ILE 542 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x92 n TYR 543 N 0.53 1.55 -0.95 4.28 9.36 -1.26 -1.35 117.16 129.31 2x92 n TYR 543 Ca 0.17 0.60 0.00 0.00 3.32 0.00 0.00 57.90 62.00 2x92 n TYR 543 Cb 0.40 -2.34 0.00 0.00 -0.63 0.00 0.00 39.34 36.78 2x92 n TYR 543 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2x92 n GLY 544 N 2.31 0.54 3.49 2.98 0.00 -1.24 -4.98 105.19 108.29 2x92 n GLY 544 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2x92 n GLY 544 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x92 s SER 545 N -2.31 6.27 0.32 1.61 0.15 -0.46 -4.75 113.70 114.52 2x92 s SER 545 Ca 0.00 -0.65 0.08 0.00 0.70 0.00 0.00 55.95 56.09 2x92 s SER 545 Cb 0.00 -2.40 0.52 0.00 -1.71 0.00 0.00 66.02 62.43 2x92 s SER 545 CO 0.00 -1.22 1.73 0.00 1.20 0.00 0.00 173.24 174.95 2x92 h ALA 546 N 9.32 1.18 -0.46 5.45 0.00 -1.78 -1.75 119.26 131.22 2x92 h ALA 546 Ca -0.27 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 2x92 h ALA 546 Cb 1.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2x92 h ALA 546 CO 1.09 0.56 0.22 0.00 0.00 0.00 0.00 179.25 181.12 2x92 h ALA 547 N 1.45 0.59 -0.49 0.00 0.00 -1.88 0.17 119.26 119.09 2x92 h ALA 547 Ca 0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2x92 h ALA 547 Cb 0.78 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2x92 h ALA 547 CO 0.06 0.16 -0.17 0.00 0.00 0.00 0.00 179.25 179.30 2x92 h ALA 548 N 1.06 0.76 -0.84 0.00 0.00 -1.80 -3.04 119.26 115.40 2x92 h ALA 548 Ca 0.16 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2x92 h ALA 548 Cb 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2x92 h ALA 548 CO -0.02 0.67 0.55 0.78 0.00 0.00 0.00 179.25 181.22 2x92 h GLY 549 N 0.92 1.19 0.92 0.00 0.00 -1.04 -2.57 103.07 102.48 2x92 h GLY 549 Ca 0.12 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.05 2x92 h GLY 549 CO 0.06 0.39 0.43 0.00 0.00 0.00 0.00 176.54 177.42 2x92 h ALA 550 N 1.33 0.87 -0.66 3.60 0.00 -0.60 -0.07 119.26 123.73 2x92 h ALA 550 Ca 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2x92 h ALA 550 Cb -0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2x92 h ALA 550 CO -0.09 0.22 0.35 0.00 0.00 0.00 0.00 179.25 179.73 2x92 h ALA 551 N 1.27 0.84 -0.60 0.00 0.00 -1.39 -0.91 119.26 118.49 2x92 h ALA 551 Ca 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2x92 h ALA 551 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2x92 h ALA 551 CO -0.09 0.36 0.28 0.74 0.00 0.00 0.00 179.25 180.55 2x92 h PHE 552 N 0.90 0.86 -0.51 0.00 0.04 -1.07 -2.52 116.94 114.64 2x92 h PHE 552 Ca 0.23 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.96 2x92 h PHE 552 Cb 0.05 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 2x92 h PHE 552 CO -0.01 0.66 0.34 1.25 -0.60 0.00 0.00 178.31 179.95 2x92 h HIS 553 N 0.81 0.64 -0.96 -0.55 2.76 -0.58 0.37 115.15 117.65 2x92 h HIS 553 Ca 0.20 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.46 2x92 h HIS 553 Cb 0.12 -0.22 -0.07 0.00 1.55 0.00 0.00 27.41 28.80 2x92 h HIS 553 CO -0.00 0.40 0.61 -0.91 -1.30 0.00 0.00 177.93 176.73 2x92 h ASN 554 N 0.69 0.97 0.01 3.26 2.35 -1.01 -2.52 115.58 119.33 2x92 h ASN 554 Ca 0.19 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 2x92 h ASN 554 Cb -0.08 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 2x92 h ASN 554 CO -0.04 0.61 -0.44 -0.03 -1.65 0.00 0.00 177.43 175.88 2x92 h MET 555 N 1.10 0.03 -0.08 0.81 4.05 -1.08 -3.38 114.93 116.38 2x92 h MET 555 Ca 0.42 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.69 2x92 h MET 555 Cb 0.19 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2x92 h MET 555 CO -0.18 1.02 -0.41 -0.07 0.23 0.00 0.00 176.91 177.50 2x92 h LEU 556 N -0.94 0.17 -1.32 3.39 3.38 -0.28 -2.74 115.31 116.98 2x92 h LEU 556 Ca -0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2x92 h LEU 556 Cb 1.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2x92 h LEU 556 CO -0.05 0.57 0.00 0.77 0.09 0.00 0.00 178.44 179.83 2x92 h SER 557 N 0.14 0.00 0.57 -0.43 4.64 -1.61 -2.78 113.55 114.09 2x92 h SER 557 Ca 0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 2x92 h SER 557 Cb 0.79 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 2x92 h SER 557 CO 0.06 0.00 -0.37 0.24 -0.87 0.00 0.00 176.83 175.89 2x92 h MET 558 N 0.00 0.00 0.00 4.77 2.86 -1.65 -3.42 114.93 117.49 2x92 h MET 558 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2x92 h MET 558 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2x92 h MET 558 CO 0.00 0.37 0.00 0.41 1.06 0.00 0.00 176.91 178.75 2x92 n GLY 559 N -0.16 3.26 1.69 8.32 0.00 -1.05 -1.65 105.19 115.60 2x92 n GLY 559 Ca -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 2x92 n GLY 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x92 n ALA 560 N 10.44 4.23 0.25 4.61 0.00 -0.13 -3.28 120.51 136.64 2x92 n ALA 560 Ca 0.00 -2.43 0.11 0.00 0.00 0.00 0.00 53.44 51.12 2x92 n ALA 560 Cb 0.00 -1.08 0.67 0.00 0.00 0.00 0.00 19.45 19.04 2x92 n ALA 560 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x92 h SER 561 N 2.35 0.00 -4.32 0.00 4.64 -1.52 -3.44 113.55 111.27 2x92 h SER 561 Ca 0.20 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.20 2x92 h SER 561 Cb 2.08 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 64.00 2x92 h SER 561 CO 0.59 0.14 -0.73 -0.54 -0.87 0.00 0.00 176.83 175.42 2x92 s LYS 562 N -4.34 0.88 0.54 4.77 -0.14 -1.26 -4.99 119.74 115.20 2x92 s LYS 562 Ca -0.03 -1.21 -0.20 0.00 -1.36 0.00 0.00 55.97 53.17 2x92 s LYS 562 Cb 0.14 -0.55 -0.07 0.00 -1.68 0.00 0.00 37.83 35.67 2x92 s LYS 562 CO 0.62 0.08 0.96 -2.30 -0.76 0.00 0.00 175.35 173.95 2x92 n PRO 563 N 0.43 1.05 -0.07 -1.68 -0.02 -1.26 -4.77 135.00 128.67 2x92 n PRO 563 Ca -0.15 0.39 0.20 0.00 -2.02 0.00 0.00 63.50 61.92 2x92 n PRO 563 Cb 0.58 -2.11 0.63 0.00 -0.02 0.00 0.00 33.50 32.58 2x92 n PRO 563 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2x92 h TRP 564 N 0.83 0.16 -0.02 6.00 5.08 -1.91 -1.25 115.95 124.83 2x92 h TRP 564 Ca -0.47 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.48 2x92 h TRP 564 Cb 1.36 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 27.46 2x92 h TRP 564 CO 0.39 0.06 -0.09 -1.35 -1.28 0.00 0.00 178.44 176.17 2x92 h PRO 565 N 0.13 0.03 -0.07 0.12 0.11 -1.89 -1.18 132.00 129.25 2x92 h PRO 565 Ca 0.31 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.29 2x92 h PRO 565 Cb 1.04 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2x92 h PRO 565 CO -0.04 0.13 -0.53 -0.44 -0.21 0.00 0.00 178.00 176.90 2x92 h ASP 566 N 0.03 0.23 -0.26 -2.05 3.45 -1.56 -1.43 116.42 114.83 2x92 h ASP 566 Ca 0.01 -0.12 -0.11 0.00 0.43 0.00 0.00 57.03 57.24 2x92 h ASP 566 Cb 0.18 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.88 2x92 h ASP 566 CO 0.01 0.72 -0.28 0.00 -1.57 0.00 0.00 179.24 178.13 2x92 h ALA 567 N 1.28 0.38 -0.83 3.45 0.00 -1.29 -1.90 119.26 120.36 2x92 h ALA 567 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2x92 h ALA 567 Cb 0.99 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2x92 h ALA 567 CO 0.08 0.39 0.39 1.25 0.00 0.00 0.00 179.25 181.36 2x92 h LEU 568 N 0.36 1.08 -1.04 0.00 5.85 -1.21 -2.69 115.31 117.67 2x92 h LEU 568 Ca 0.04 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 2x92 h LEU 568 Cb 0.84 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2x92 h LEU 568 CO 0.07 0.92 0.28 -0.08 -0.34 0.00 0.00 178.44 179.28 2x92 h GLU 569 N 1.18 0.97 0.00 1.25 4.81 -0.06 -1.72 114.58 121.01 2x92 h GLU 569 Ca 0.28 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2x92 h GLU 569 Cb 0.12 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2x92 h GLU 569 CO -0.03 0.78 -0.20 0.00 -0.73 0.00 0.00 179.01 178.83 2x92 h ALA 570 N 1.35 1.61 0.02 2.92 0.00 -1.03 0.18 119.26 124.31 2x92 h ALA 570 Ca 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2x92 h ALA 570 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2x92 h ALA 570 CO -0.02 0.24 -0.01 0.35 0.00 0.00 0.00 179.25 179.81 2x92 h PHE 571 N 0.00 -0.02 0.00 0.00 3.57 -1.06 -3.42 116.94 116.00 2x92 h PHE 571 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2x92 h PHE 571 Cb 0.36 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2x92 h PHE 571 CO 0.00 0.71 0.00 0.27 -2.23 0.00 0.00 178.31 177.06 2x92 n ASN 572 N -4.70 0.00 0.00 0.41 0.23 -0.72 -4.84 115.26 105.63 2x92 n ASN 572 Ca -0.08 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 2x92 n ASN 572 Cb 0.36 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 2x92 n ASN 572 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x92 n GLY 573 N 0.00 2.01 3.91 4.83 0.00 0.64 -5.00 105.19 111.58 2x92 n GLY 573 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2x92 n GLY 573 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x92 s GLU 574 N -0.19 3.52 0.00 1.61 2.02 -1.26 -4.80 118.70 119.60 2x92 s GLU 574 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.10 2x92 s GLU 574 Cb 0.00 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.81 2x92 s GLU 574 CO 0.00 -0.16 0.20 0.54 0.02 0.00 0.00 175.26 175.86 2x92 n ARG 575 N -2.19 -0.17 -5.13 1.61 1.74 -1.26 -1.32 116.66 109.93 2x92 n ARG 575 Ca -0.00 -0.20 -0.32 0.00 -0.77 0.00 0.00 57.85 56.56 2x92 n ARG 575 Cb 0.55 -0.68 -0.16 0.00 -1.02 0.00 0.00 32.46 31.16 2x92 n ARG 575 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2x92 s ILE 576 N -0.03 2.31 0.02 0.55 1.01 -1.26 -4.70 121.20 119.10 2x92 s ILE 576 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 2x92 s ILE 576 Cb 0.00 -1.88 -0.07 0.00 0.01 0.00 0.00 42.46 40.51 2x92 s ILE 576 CO 0.00 0.56 1.62 -0.32 0.00 0.00 0.00 174.94 176.80 2x92 s MET 577 N 0.05 4.20 0.01 2.79 -2.45 -1.26 -5.01 119.30 117.64 2x92 s MET 577 Ca -0.09 2.24 0.01 0.00 -1.25 0.00 0.00 55.69 56.60 2x92 s MET 577 Cb -0.15 -3.73 -0.01 0.00 1.25 0.00 0.00 34.83 32.19 2x92 s MET 577 CO 0.06 -0.75 -0.04 0.45 1.05 0.00 0.00 175.02 175.79 2x92 s SER 578 N 2.67 0.45 0.00 1.11 0.15 -1.26 -5.02 113.70 111.80 2x92 s SER 578 Ca 0.73 -0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.39 2x92 s SER 578 Cb -0.37 -0.01 0.94 0.00 -1.71 0.00 0.00 66.02 64.87 2x92 s SER 578 CO 0.31 -0.05 1.66 0.61 1.20 0.00 0.00 173.24 176.96 2x92 n GLY 579 N 2.52 -0.03 0.24 9.45 0.00 -1.26 -4.31 105.19 111.79 2x92 n GLY 579 Ca -0.16 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.44 2x92 n GLY 579 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2x92 h LYS 580 N 1.82 0.70 -0.32 1.61 3.64 -1.96 -2.59 116.57 119.47 2x92 h LYS 580 Ca 0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2x92 h LYS 580 Cb 0.39 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2x92 h LYS 580 CO 0.00 0.46 -0.06 0.00 -2.27 0.00 0.00 179.45 177.59 2x92 h ALA 581 N 1.25 0.43 -0.70 5.00 0.00 -1.89 -0.84 119.26 122.52 2x92 h ALA 581 Ca 0.23 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2x92 h ALA 581 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2x92 h ALA 581 CO -0.09 0.25 0.16 0.97 0.00 0.00 0.00 179.25 180.53 2x92 h ILE 582 N 0.38 1.26 -0.71 0.00 2.10 -1.82 -1.48 117.51 117.24 2x92 h ILE 582 Ca 0.08 -0.99 -0.04 0.00 1.08 0.00 0.00 64.86 64.99 2x92 h ILE 582 Cb 0.54 0.55 -0.03 0.00 -1.09 0.00 0.00 36.82 36.79 2x92 h ILE 582 CO 0.03 0.38 0.27 0.00 -1.08 0.00 0.00 178.15 177.74 2x92 h ALA 583 N 1.10 0.92 -0.62 0.18 0.00 -1.37 -2.42 119.26 117.06 2x92 h ALA 583 Ca 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2x92 h ALA 583 Cb 0.39 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2x92 h ALA 583 CO 0.00 0.56 0.32 1.49 0.00 0.00 0.00 179.25 181.63 2x92 h GLU 584 N 1.02 0.88 -0.30 0.00 4.81 -0.88 -0.35 114.58 119.77 2x92 h GLU 584 Ca 0.23 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2x92 h GLU 584 Cb 0.23 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2x92 h GLU 584 CO -0.02 0.68 0.13 -0.92 -0.73 0.00 0.00 179.01 178.16 2x92 h TYR 585 N 0.85 0.24 -0.02 0.92 3.20 -1.03 -3.13 116.97 118.00 2x92 h TYR 585 Ca 0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2x92 h TYR 585 Cb 0.08 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2x92 h TYR 585 CO -0.00 0.12 -0.03 1.19 -1.64 0.00 0.00 178.16 177.80 2x92 n PHE 586 N -4.99 0.00 -0.23 -3.82 3.72 -0.93 -4.49 117.46 106.72 2x92 n PHE 586 Ca -0.01 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 2x92 n PHE 586 Cb 0.08 -0.01 0.15 0.00 -0.94 0.00 0.00 39.48 38.76 2x92 n PHE 586 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2x92 h GLU 587 N 3.03 0.24 -0.63 -1.08 4.57 -1.00 0.65 114.58 120.36 2x92 h GLU 587 Ca 0.00 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2x92 h GLU 587 Cb 0.66 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 2x92 h GLU 587 CO 0.00 0.16 0.41 -1.00 -1.18 0.00 0.00 179.01 177.41 2x92 h PRO 588 N 0.25 0.73 -0.29 0.92 0.13 -1.82 -2.02 132.00 129.90 2x92 h PRO 588 Ca 0.37 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.40 2x92 h PRO 588 Cb 0.60 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2x92 h PRO 588 CO -0.48 0.49 -0.05 1.25 -0.23 0.00 0.00 178.00 178.97 2x92 h LEU 589 N 0.76 0.55 -0.07 1.56 5.85 -1.26 -2.81 115.31 119.89 2x92 h LEU 589 Ca 0.25 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2x92 h LEU 589 Cb 0.05 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2x92 h LEU 589 CO -0.07 0.78 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.61 2x92 h ARG 590 N 0.32 -0.16 -0.27 1.25 2.43 -0.62 0.23 114.38 117.56 2x92 h ARG 590 Ca 0.08 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2x92 h ARG 590 Cb 0.53 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 2x92 h ARG 590 CO 0.03 -0.10 0.02 0.28 -1.51 0.00 0.00 179.97 178.68 2x92 h VAL 591 N -0.16 0.82 -0.30 0.20 2.07 -1.45 -0.96 116.25 116.48 2x92 h VAL 591 Ca 0.07 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2x92 h VAL 591 Cb 0.26 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2x92 h VAL 591 CO -0.17 0.02 0.06 -0.25 0.02 0.00 0.00 177.57 177.26 2x92 h TRP 592 N 0.11 0.51 -0.49 1.57 7.01 -1.19 -2.98 115.95 120.48 2x92 h TRP 592 Ca 0.13 -0.06 -0.13 0.00 2.11 0.00 0.00 58.89 60.93 2x92 h TRP 592 Cb 0.16 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 2x92 h TRP 592 CO -0.19 0.55 -0.21 1.25 -2.79 0.00 0.00 178.44 177.05 2x92 h LEU 593 N 0.31 1.03 -0.48 0.65 5.85 -0.34 -0.38 115.31 121.95 2x92 h LEU 593 Ca 0.09 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.46 2x92 h LEU 593 Cb 0.31 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2x92 h LEU 593 CO 0.00 1.19 0.24 -0.33 -0.34 0.00 0.00 178.44 179.21 2x92 h GLU 594 N 0.87 0.46 -0.66 1.25 5.08 -1.23 -0.43 114.58 119.93 2x92 h GLU 594 Ca 0.11 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2x92 h GLU 594 Cb 0.79 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2x92 h GLU 594 CO 0.07 0.30 0.16 0.00 -1.00 0.00 0.00 179.01 178.54 2x92 h ALA 595 N 1.26 0.87 -0.43 3.43 0.00 -1.32 -2.59 119.26 120.48 2x92 h ALA 595 Ca 0.21 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2x92 h ALA 595 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2x92 h ALA 595 CO -0.15 0.58 -0.19 1.49 0.00 0.00 0.00 179.25 180.98 2x92 h GLU 596 N 0.98 0.85 -0.51 0.00 4.57 -0.69 0.58 114.58 120.35 2x92 h GLU 596 Ca 0.21 -0.33 -0.10 0.00 -1.18 0.00 0.00 59.36 57.95 2x92 h GLU 596 Cb 0.37 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2x92 h GLU 596 CO 0.00 0.97 -0.10 -0.91 -1.18 0.00 0.00 179.01 177.79 2x92 h ASN 597 N 0.74 0.93 -0.21 1.04 2.35 -1.05 -2.04 115.58 117.34 2x92 h ASN 597 Ca 0.11 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 2x92 h ASN 597 Cb 0.72 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2x92 h ASN 597 CO 0.06 1.04 -0.02 0.40 -1.65 0.00 0.00 177.43 177.26 2x92 h ILE 598 N 0.84 1.27 -0.98 2.81 2.04 -1.25 0.20 117.51 122.44 2x92 h ILE 598 Ca 0.14 -0.94 0.17 0.00 1.00 0.00 0.00 64.86 65.22 2x92 h ILE 598 Cb 0.63 1.46 -0.10 0.00 -0.74 0.00 0.00 36.82 38.08 2x92 h ILE 598 CO 0.04 0.29 0.59 0.11 0.00 0.00 0.00 178.15 179.18 2x92 h LYS 599 N 0.14 0.78 -0.71 2.37 1.57 -0.81 -2.17 116.57 117.74 2x92 h LYS 599 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2x92 h LYS 599 Cb 0.44 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2x92 h LYS 599 CO 0.01 0.51 0.00 0.09 -0.57 0.00 0.00 179.45 179.50 2x92 n ASN 600 N -4.75 3.90 -3.89 0.86 3.02 -0.77 -4.96 115.26 108.68 2x92 n ASN 600 Ca 0.21 -2.00 -0.28 0.00 -0.03 0.00 0.00 54.58 52.49 2x92 n ASN 600 Cb 0.50 -0.47 0.02 0.00 -0.61 0.00 0.00 39.78 39.22 2x92 n ASN 600 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2x92 n ASN 601 N 1.65 -3.10 -4.68 6.41 5.15 -0.53 -4.88 115.26 115.27 2x92 n ASN 601 Ca 0.24 -0.84 -0.42 0.00 -0.60 0.00 0.00 54.58 52.96 2x92 n ASN 601 Cb 0.62 -3.73 -0.03 0.00 -0.53 0.00 0.00 39.78 36.12 2x92 n ASN 601 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2x92 s VAL 602 N -3.48 4.50 0.19 3.44 1.01 0.61 -4.99 120.40 121.67 2x92 s VAL 602 Ca 0.41 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.88 2x92 s VAL 602 Cb -0.21 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 2x92 s VAL 602 CO 0.84 -0.02 1.39 -2.28 0.00 0.00 0.00 175.10 175.03 2x92 s HIS 603 N 2.29 3.17 -0.06 5.22 2.46 -1.26 -4.87 115.29 122.24 2x92 s HIS 603 Ca 0.52 1.05 0.04 0.00 0.47 0.00 0.00 55.06 57.13 2x92 s HIS 603 Cb -0.21 -3.71 -0.02 0.00 -0.13 0.00 0.00 32.58 28.51 2x92 s HIS 603 CO 0.19 -2.36 -0.17 0.42 -2.47 0.00 0.00 174.74 170.35 2x92 s ILE 604 N 0.41 2.82 0.00 0.89 -1.09 -1.26 -4.65 121.20 118.32 2x92 s ILE 604 Ca 0.61 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 2x92 s ILE 604 Cb -0.39 -2.10 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 2x92 s ILE 604 CO 0.37 0.58 0.00 0.61 -1.23 0.00 0.00 174.94 175.27 2x92 n GLY 605 N 2.61 0.22 3.26 6.18 0.00 -1.26 -5.08 105.19 111.11 2x92 n GLY 605 Ca -0.17 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 2x92 n GLY 605 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2x92 s TRP 606 N -1.58 -0.20 0.70 1.61 -2.14 -1.26 -4.80 118.94 111.27 2x92 s TRP 606 Ca 0.00 0.27 -0.11 0.00 2.66 0.00 0.00 56.10 58.92 2x92 s TRP 606 Cb 0.00 0.12 0.01 0.00 -3.10 0.00 0.00 33.47 30.50 2x92 s TRP 606 CO 0.00 -0.43 1.06 0.95 -2.66 0.00 0.00 176.95 175.87 2x92 s THR 607 N -1.60 3.98 0.27 0.66 -4.23 -0.32 -4.95 115.64 109.45 2x92 s THR 607 Ca -0.11 0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 60.74 2x92 s THR 607 Cb -0.04 -3.41 -0.10 0.00 1.34 0.00 0.00 72.50 70.28 2x92 s THR 607 CO 0.03 -0.84 1.46 -0.89 -0.54 0.00 0.00 174.62 173.84 2x92 s THR 608 N -3.08 2.53 0.48 3.99 2.01 -1.26 -4.24 115.64 116.08 2x92 s THR 608 Ca 0.58 0.46 -0.23 0.00 0.31 0.00 0.00 61.69 62.81 2x92 s THR 608 Cb -0.14 -3.29 -0.07 0.00 0.01 0.00 0.00 72.50 69.01 2x92 s THR 608 CO 0.55 0.08 1.25 -0.55 -0.69 0.00 0.00 174.62 175.25 2x92 s SER 609 N 0.30 5.91 -0.11 3.53 0.15 -1.26 -4.95 113.70 117.27 2x92 s SER 609 Ca 0.59 2.51 0.15 0.00 0.70 0.00 0.00 55.95 59.89 2x92 s SER 609 Cb -0.43 -2.62 0.48 0.00 -1.71 0.00 0.00 66.02 61.74 2x92 s SER 609 CO 0.46 -1.11 1.39 0.59 1.20 0.00 0.00 173.24 175.77 2x92 n ASN 610 N -0.55 3.69 -0.24 5.45 3.02 -1.26 -4.69 115.26 120.68 2x92 n ASN 610 Ca 0.08 -2.61 0.14 0.00 -0.03 0.00 0.00 54.58 52.16 2x92 n ASN 610 Cb 0.46 -0.44 0.59 0.00 -0.61 0.00 0.00 39.78 39.78 2x92 n ASN 610 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2x92 n LYS 611 N 0.03 1.09 -3.99 3.52 4.76 -1.26 -4.65 118.16 117.65 2x92 n LYS 611 Ca 0.19 -0.49 -0.31 0.00 -2.87 0.00 0.00 58.31 54.82 2x92 n LYS 611 Cb 0.74 -1.49 -0.15 0.00 -1.84 0.00 0.00 35.03 32.29 2x92 n LYS 611 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x92 s VAL 613 N 1.28 4.80 -2.00 0.00 1.01 -0.04 -4.97 120.40 120.47 2x92 s VAL 613 Ca -0.07 1.81 0.32 0.00 0.00 0.00 0.00 61.98 64.04 2x92 s VAL 613 Cb -0.19 -4.21 0.91 0.00 0.00 0.00 0.00 36.38 32.88 2x92 s VAL 613 CO -0.06 -0.05 2.23 -1.20 0.00 0.00 0.00 175.10 176.02