#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x97 h LEU 18 N 0.00 0.38 -0.56 0.00 3.38 -2.01 -2.16 115.31 114.35 2x97 h LEU 18 Ca 0.00 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 2x97 h LEU 18 Cb 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2x97 h LEU 18 CO 0.00 1.34 0.23 0.58 0.09 0.00 0.00 178.44 180.67 2x97 h VAL 19 N 0.07 1.22 -0.19 1.22 2.07 -2.00 -0.63 116.25 118.01 2x97 h VAL 19 Ca -0.14 -0.68 -0.19 0.00 0.82 0.00 0.00 66.70 66.50 2x97 h VAL 19 Cb 1.96 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2x97 h VAL 19 CO 0.19 0.26 -0.65 0.11 0.02 0.00 0.00 177.57 177.50 2x97 h LYS 20 N 0.76 0.71 -0.65 1.57 6.56 -2.00 -2.96 116.57 120.57 2x97 h LYS 20 Ca 0.19 -0.51 -0.07 0.00 -1.06 0.00 0.00 60.65 59.20 2x97 h LYS 20 Cb 0.19 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.91 2x97 h LYS 20 CO -0.02 1.13 0.14 1.49 -2.06 0.00 0.00 179.45 180.14 2x97 h GLU 21 N 0.52 1.05 -0.52 3.15 4.81 -1.05 -1.72 114.58 120.83 2x97 h GLU 21 Ca -0.02 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 2x97 h GLU 21 Cb 1.25 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2x97 h GLU 21 CO 0.13 0.96 0.12 1.49 -0.73 0.00 0.00 179.01 180.98 2x97 h GLU 22 N 0.97 0.79 -0.39 1.92 4.81 -1.03 0.41 114.58 122.07 2x97 h GLU 22 Ca 0.20 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2x97 h GLU 22 Cb 0.39 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2x97 h GLU 22 CO 0.01 0.72 0.14 0.82 -0.73 0.00 0.00 179.01 179.97 2x97 h ILE 23 N 0.77 1.20 -0.70 2.32 2.04 -1.37 -1.76 117.51 120.01 2x97 h ILE 23 Ca 0.17 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 2x97 h ILE 23 Cb 0.29 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2x97 h ILE 23 CO -0.00 0.23 0.22 1.56 0.00 0.00 0.00 178.15 180.15 2x97 h GLN 24 N 0.49 1.08 -0.70 2.37 4.20 -0.37 -3.07 115.11 119.11 2x97 h GLN 24 Ca 0.13 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 2x97 h GLN 24 Cb 0.21 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2x97 h GLN 24 CO -0.01 0.92 0.31 0.00 -0.67 0.00 0.00 178.83 179.38 2x97 h ALA 25 N 1.19 0.91 -0.58 3.87 0.00 -0.05 0.17 119.26 124.78 2x97 h ALA 25 Ca 0.23 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2x97 h ALA 25 Cb 0.29 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2x97 h ALA 25 CO -0.01 0.50 0.24 -0.22 0.00 0.00 0.00 179.25 179.77 2x97 h LYS 26 N 0.99 0.44 -0.34 0.00 3.64 -1.23 0.88 116.57 120.95 2x97 h LYS 26 Ca 0.24 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 2x97 h LYS 26 Cb 0.17 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2x97 h LYS 26 CO -0.02 0.29 -0.30 0.93 -2.27 0.00 0.00 179.45 178.08 2x97 h GLU 27 N 0.45 0.72 -0.51 1.90 5.08 -1.43 -1.09 114.58 119.70 2x97 h GLU 27 Ca 0.28 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2x97 h GLU 27 Cb 0.30 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2x97 h GLU 27 CO -0.26 0.93 0.32 -0.92 -1.00 0.00 0.00 179.01 178.08 2x97 h TYR 28 N 0.61 0.65 -0.45 4.33 3.20 -0.14 -2.62 116.97 122.55 2x97 h TYR 28 Ca 0.07 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 2x97 h TYR 28 Cb 0.81 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2x97 h TYR 28 CO 0.04 0.43 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.88 2x97 h LEU 29 N 0.68 0.83 -0.72 2.82 3.38 -0.69 -2.00 115.31 119.61 2x97 h LEU 29 Ca 0.18 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.91 2x97 h LEU 29 Cb -0.04 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 2x97 h LEU 29 CO -0.04 0.96 0.38 -0.08 0.09 0.00 0.00 178.44 179.75 2x97 h GLU 30 N 0.67 0.63 -0.10 1.13 4.81 -1.06 0.06 114.58 120.72 2x97 h GLU 30 Ca 0.12 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2x97 h GLU 30 Cb 0.57 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2x97 h GLU 30 CO 0.03 0.42 -0.06 -0.97 -0.73 0.00 0.00 179.01 177.70 2x97 h ASN 31 N 0.65 0.22 -0.41 1.04 -1.24 -1.39 -3.20 115.58 111.26 2x97 h ASN 31 Ca 0.34 -0.44 -0.03 0.00 0.71 0.00 0.00 56.30 56.88 2x97 h ASN 31 Cb 0.32 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 2x97 h ASN 31 CO -0.24 0.62 0.13 0.25 -1.29 0.00 0.00 177.43 176.89 2x97 h LEU 32 N -0.16 0.59 -0.85 0.34 5.85 -1.16 -1.02 115.31 118.90 2x97 h LEU 32 Ca 0.02 -0.21 0.13 0.00 0.84 0.00 0.00 57.88 58.67 2x97 h LEU 32 Cb 0.54 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 2x97 h LEU 32 CO 0.02 0.64 0.45 0.78 -0.34 0.00 0.00 178.44 179.99 2x97 h ASN 33 N 0.51 0.57 -0.31 1.25 2.35 -1.06 0.22 115.58 119.12 2x97 h ASN 33 Ca 0.13 0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.82 2x97 h ASN 33 Cb 0.26 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2x97 h ASN 33 CO -0.00 0.27 -0.34 0.11 -1.65 0.00 0.00 177.43 175.81 2x97 h LYS 34 N 0.67 0.84 -0.50 0.81 1.57 -1.39 -0.49 116.57 118.07 2x97 h LYS 34 Ca 0.45 -0.41 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2x97 h LYS 34 Cb 0.58 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2x97 h LYS 34 CO -0.33 1.05 -0.06 1.49 -0.57 0.00 0.00 179.45 181.03 2x97 h GLU 35 N 0.70 0.93 -0.71 3.15 4.81 -0.69 -2.18 114.58 120.59 2x97 h GLU 35 Ca 0.07 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 2x97 h GLU 35 Cb 0.90 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 2x97 h GLU 35 CO 0.08 0.98 0.20 -0.07 -0.73 0.00 0.00 179.01 179.48 2x97 h LEU 36 N 0.79 1.06 -0.52 1.64 3.38 0.02 -1.04 115.31 120.64 2x97 h LEU 36 Ca 0.14 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2x97 h LEU 36 Cb 0.60 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2x97 h LEU 36 CO 0.04 1.00 0.32 0.00 0.09 0.00 0.00 178.44 179.88 2x97 h ALA 37 N 1.10 0.66 -0.53 1.53 0.00 -0.99 0.19 119.26 121.23 2x97 h ALA 37 Ca 0.23 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2x97 h ALA 37 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2x97 h ALA 37 CO -0.00 0.03 0.02 -0.22 0.00 0.00 0.00 179.25 179.08 2x97 h LYS 38 N 0.63 0.92 -0.09 0.00 1.63 -1.22 0.32 116.57 118.76 2x97 h LYS 38 Ca 0.20 -0.28 -0.14 0.00 -0.85 0.00 0.00 60.65 59.58 2x97 h LYS 38 Cb -0.00 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 2x97 h LYS 38 CO -0.08 0.93 -0.54 0.00 -3.45 0.00 0.00 179.45 176.31 2x97 h ARG 39 N 0.79 0.27 -0.08 1.90 3.08 -1.04 -2.95 114.38 116.35 2x97 h ARG 39 Ca 0.15 -0.17 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 2x97 h ARG 39 Cb 0.50 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2x97 h ARG 39 CO 0.02 0.75 -0.79 1.15 -1.07 0.00 0.00 179.97 180.03 2x97 h THR 40 N 0.21 1.35 -0.73 2.04 2.02 -0.07 -2.73 112.91 115.00 2x97 h THR 40 Ca 0.00 -2.15 0.14 0.00 0.77 0.00 0.00 66.41 65.17 2x97 h THR 40 Cb 1.02 2.14 -0.14 0.00 -1.74 0.00 0.00 68.15 69.43 2x97 h THR 40 CO 0.09 0.66 -0.25 -1.13 0.37 0.00 0.00 175.52 175.25 2x97 h ASN 41 N 0.34 -0.90 -0.77 4.18 -0.73 -0.28 0.20 115.58 117.62 2x97 h ASN 41 Ca -0.05 0.24 -0.04 0.00 1.87 0.00 0.00 56.30 58.32 2x97 h ASN 41 Cb 1.39 0.53 -0.03 0.00 0.27 0.00 0.00 38.32 40.47 2x97 h ASN 41 CO 0.14 -0.27 0.32 0.58 -0.37 0.00 0.00 177.43 177.83 2x97 h VAL 42 N -0.05 1.26 -0.42 2.57 2.07 -1.39 -0.67 116.25 119.62 2x97 h VAL 42 Ca 0.33 -0.79 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 2x97 h VAL 42 Cb 0.56 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2x97 h VAL 42 CO -0.77 0.32 -0.30 -0.08 0.02 0.00 0.00 177.57 176.76 2x97 h GLU 43 N 1.11 0.94 -0.66 1.57 4.81 -1.05 -2.63 114.58 118.68 2x97 h GLU 43 Ca 0.26 -0.45 -0.06 0.00 -0.13 0.00 0.00 59.36 58.97 2x97 h GLU 43 Cb 0.20 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2x97 h GLU 43 CO -0.02 1.11 0.16 1.15 -0.73 0.00 0.00 179.01 180.68 2x97 h THR 44 N 0.77 1.25 -0.53 0.32 2.02 -0.37 -2.01 112.91 114.37 2x97 h THR 44 Ca 0.08 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 2x97 h THR 44 Cb 0.88 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 2x97 h THR 44 CO 0.08 0.35 0.30 -0.33 0.37 0.00 0.00 175.52 176.30 2x97 h GLU 45 N 0.99 0.73 -0.78 6.66 4.39 -1.05 -0.07 114.58 125.45 2x97 h GLU 45 Ca 0.21 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.84 2x97 h GLU 45 Cb 0.35 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2x97 h GLU 45 CO 0.00 0.55 0.52 0.00 -1.16 0.00 0.00 179.01 178.92 2x97 h ALA 46 N 1.14 1.47 -0.24 3.43 0.00 -1.16 -0.91 119.26 122.98 2x97 h ALA 46 Ca 0.19 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2x97 h ALA 46 Cb 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2x97 h ALA 46 CO -0.03 0.49 -0.50 0.00 0.00 0.00 0.00 179.25 179.21 2x97 h ALA 47 N 1.52 0.38 -0.23 0.00 0.00 -0.82 -2.37 119.26 117.75 2x97 h ALA 47 Ca 0.29 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2x97 h ALA 47 Cb -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2x97 h ALA 47 CO -0.07 0.56 0.10 2.35 0.00 0.00 0.00 179.25 182.19 2x97 h TRP 48 N 0.50 0.18 -0.93 0.00 2.91 -0.93 -1.74 115.95 115.93 2x97 h TRP 48 Ca 0.01 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.11 2x97 h TRP 48 Cb 1.10 -0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 29.65 2x97 h TRP 48 CO 0.08 0.09 0.61 0.00 -1.03 0.00 0.00 178.44 178.19 2x97 h ALA 49 N 1.13 1.49 0.11 2.65 0.00 -1.06 -1.30 119.26 122.27 2x97 h ALA 49 Ca 0.10 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 2x97 h ALA 49 Cb 0.05 -0.27 0.03 0.00 0.00 0.00 0.00 17.79 17.59 2x97 h ALA 49 CO -0.08 0.36 -1.22 -0.92 0.00 0.00 0.00 179.25 177.39 2x97 h TYR 50 N 1.06 0.94 0.00 0.00 3.20 -1.17 -1.07 116.97 119.93 2x97 h TYR 50 Ca 0.41 -0.59 -0.04 0.00 3.14 0.00 0.00 58.73 61.65 2x97 h TYR 50 Cb 0.21 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2x97 h TYR 50 CO -0.00 1.43 -0.20 0.78 -1.64 0.00 0.00 178.16 178.53 2x97 h GLY 51 N 0.49 0.00 1.32 1.82 0.00 -1.06 -2.46 103.07 103.19 2x97 h GLY 51 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 2x97 h GLY 51 CO 0.23 0.00 -0.87 1.76 0.00 0.00 0.00 176.54 177.66 2x97 h SER 52 N 0.00 0.00 -1.13 0.19 0.02 -1.12 -0.51 113.55 111.00 2x97 h SER 52 Ca -0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2x97 h SER 52 Cb 0.43 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.76 2x97 h SER 52 CO 0.03 0.24 -0.49 0.21 -1.14 0.00 0.00 176.83 175.68 2x97 s ASN 53 N -5.80 -1.17 -0.34 3.07 2.47 -0.42 -4.76 114.94 108.00 2x97 s ASN 53 Ca 0.01 -1.04 -0.29 0.00 0.42 0.00 0.00 52.86 51.96 2x97 s ASN 53 Cb 0.08 1.76 0.01 0.00 -1.45 0.00 0.00 41.25 41.65 2x97 s ASN 53 CO 0.77 -0.16 1.30 -0.63 -3.72 0.00 0.00 177.10 174.65 2x97 s ILE 54 N 1.64 4.12 0.08 -5.21 1.01 0.05 -4.47 121.20 118.42 2x97 s ILE 54 Ca 0.18 1.24 -0.09 0.00 0.00 0.00 0.00 60.65 61.98 2x97 s ILE 54 Cb -0.05 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.21 2x97 s ILE 54 CO -0.06 -0.57 0.19 0.42 0.00 0.00 0.00 174.94 174.91 2x97 s THR 55 N 4.55 0.14 0.36 2.92 -4.23 -1.26 -4.54 115.64 113.57 2x97 s THR 55 Ca 0.56 -1.15 0.08 0.00 -1.18 0.00 0.00 61.69 60.00 2x97 s THR 55 Cb -0.15 -1.28 0.31 0.00 1.34 0.00 0.00 72.50 72.72 2x97 s THR 55 CO 0.25 -0.64 1.90 0.44 -0.54 0.00 0.00 174.62 176.04 2x97 h ASP 56 N 2.85 0.65 -0.14 3.99 5.19 -2.00 -0.26 116.42 126.70 2x97 h ASP 56 Ca -0.34 0.03 -0.23 0.00 -0.62 0.00 0.00 57.03 55.87 2x97 h ASP 56 Cb 1.20 -0.11 0.01 0.00 0.18 0.00 0.00 39.33 40.61 2x97 h ASP 56 CO 0.55 0.36 -0.79 -0.08 -3.12 0.00 0.00 179.24 176.17 2x97 h GLU 57 N 0.70 0.79 -0.04 3.56 4.81 -1.97 -2.35 114.58 120.09 2x97 h GLU 57 Ca 0.40 -0.65 -0.16 0.00 -0.13 0.00 0.00 59.36 58.82 2x97 h GLU 57 Cb 0.57 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2x97 h GLU 57 CO -0.17 1.26 -0.68 -0.91 -0.73 0.00 0.00 179.01 177.78 2x97 h ASN 58 N 0.54 0.25 -0.08 1.04 2.35 -1.76 -2.57 115.58 115.34 2x97 h ASN 58 Ca -0.05 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.58 2x97 h ASN 58 Cb 1.42 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 39.65 2x97 h ASN 58 CO 0.16 0.85 -0.37 -0.08 -1.65 0.00 0.00 177.43 176.34 2x97 h GLU 59 N 0.15 -0.46 -0.60 0.81 4.81 -1.01 0.63 114.58 118.90 2x97 h GLU 59 Ca -0.02 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 2x97 h GLU 59 Cb 1.22 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.63 2x97 h GLU 59 CO 0.10 -0.31 0.22 -0.22 -0.73 0.00 0.00 179.01 178.07 2x97 h LYS 60 N -0.48 0.38 -0.33 1.92 3.64 -1.42 -0.23 116.57 120.06 2x97 h LYS 60 Ca 0.07 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2x97 h LYS 60 Cb 0.60 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2x97 h LYS 60 CO -0.35 0.25 -0.29 0.87 -2.27 0.00 0.00 179.45 177.66 2x97 h LYS 61 N 0.39 0.78 -0.09 1.90 1.57 -1.22 0.18 116.57 120.08 2x97 h LYS 61 Ca 0.31 -0.40 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2x97 h LYS 61 Cb 0.38 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2x97 h LYS 61 CO -0.31 1.02 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.31 2x97 h LYS 62 N 0.55 -0.06 -0.01 3.15 3.64 -0.43 -2.48 116.57 120.93 2x97 h LYS 62 Ca 0.06 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.23 2x97 h LYS 62 Cb 0.86 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2x97 h LYS 62 CO 0.07 -0.04 -0.87 -0.91 -2.27 0.00 0.00 179.45 175.43 2x97 h ASN 63 N -0.06 0.41 -0.39 4.20 2.35 -0.80 -1.88 115.58 119.40 2x97 h ASN 63 Ca 0.05 -0.32 -0.06 0.00 -0.55 0.00 0.00 56.30 55.42 2x97 h ASN 63 Cb 0.14 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2x97 h ASN 63 CO -0.12 1.10 0.01 -0.33 -1.65 0.00 0.00 177.43 176.44 2x97 h GLU 64 N 0.19 0.69 -0.73 0.81 5.08 -0.70 -1.63 114.58 118.30 2x97 h GLU 64 Ca -0.06 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 2x97 h GLU 64 Cb 1.49 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 2x97 h GLU 64 CO 0.14 0.78 0.20 0.82 -1.00 0.00 0.00 179.01 179.96 2x97 h ILE 65 N 0.52 1.26 -0.36 3.13 1.08 -1.36 -2.50 117.51 119.28 2x97 h ILE 65 Ca 0.11 -0.94 0.02 0.00 -0.39 0.00 0.00 64.86 63.66 2x97 h ILE 65 Cb 0.46 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 2x97 h ILE 65 CO 0.02 0.36 0.20 0.28 -0.69 0.00 0.00 178.15 178.33 2x97 h SER 66 N 1.09 0.32 -0.83 1.72 0.02 -1.12 -0.80 113.55 113.95 2x97 h SER 66 Ca 0.23 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.28 2x97 h SER 66 Cb 0.34 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 2x97 h SER 66 CO -0.00 0.24 0.54 0.00 -1.14 0.00 0.00 176.83 176.46 2x97 h ALA 67 N 1.16 1.71 -0.23 3.77 0.00 -1.17 -0.32 119.26 124.18 2x97 h ALA 67 Ca 0.14 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2x97 h ALA 67 Cb 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2x97 h ALA 67 CO -0.07 0.12 -0.35 1.49 0.00 0.00 0.00 179.25 180.44 2x97 h GLU 68 N 0.79 0.64 -0.59 0.00 4.81 -0.98 -1.85 114.58 117.40 2x97 h GLU 68 Ca 0.38 -0.38 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2x97 h GLU 68 Cb 0.42 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2x97 h GLU 68 CO -0.15 1.00 0.03 1.25 -0.73 0.00 0.00 179.01 180.40 2x97 h LEU 69 N 0.35 0.97 -0.46 1.64 5.85 -0.84 -2.68 115.31 120.14 2x97 h LEU 69 Ca 0.02 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.53 2x97 h LEU 69 Cb 0.94 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 2x97 h LEU 69 CO 0.08 1.01 0.21 0.00 -0.34 0.00 0.00 178.44 179.40 2x97 h ALA 70 N 1.09 0.58 -0.80 1.25 0.00 -0.91 -0.73 119.26 119.74 2x97 h ALA 70 Ca 0.17 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2x97 h ALA 70 Cb 0.50 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2x97 h ALA 70 CO 0.02 -0.15 0.49 -0.22 0.00 0.00 0.00 179.25 179.39 2x97 h LYS 71 N 0.42 0.89 -0.48 0.00 3.64 -1.19 -1.07 116.57 118.78 2x97 h LYS 71 Ca 0.21 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2x97 h LYS 71 Cb 0.14 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2x97 h LYS 71 CO -0.16 0.59 0.16 0.35 -2.27 0.00 0.00 179.45 178.11 2x97 h PHE 72 N 0.92 0.77 -0.44 1.91 3.57 -1.07 -2.82 116.94 119.79 2x97 h PHE 72 Ca 0.34 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2x97 h PHE 72 Cb 0.13 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2x97 h PHE 72 CO -0.04 0.67 0.13 0.52 -2.23 0.00 0.00 178.31 177.36 2x97 h MET 73 N 0.65 0.64 -0.46 1.11 2.86 -0.52 -0.78 114.93 118.42 2x97 h MET 73 Ca 0.16 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 2x97 h MET 73 Cb 0.26 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 2x97 h MET 73 CO -0.01 0.57 0.20 0.87 1.06 0.00 0.00 176.91 179.60 2x97 h LYS 74 N 0.63 0.39 -0.56 1.72 1.57 -1.01 0.90 116.57 120.20 2x97 h LYS 74 Ca 0.15 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2x97 h LYS 74 Cb 0.20 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2x97 h LYS 74 CO -0.01 0.26 0.35 1.49 -0.57 0.00 0.00 179.45 180.97 2x97 h GLU 75 N 0.40 0.69 -0.48 3.15 4.81 -1.08 -1.66 114.58 120.41 2x97 h GLU 75 Ca 0.21 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2x97 h GLU 75 Cb 0.16 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2x97 h GLU 75 CO -0.18 0.45 0.30 0.28 -0.73 0.00 0.00 179.01 179.13 2x97 h VAL 76 N 0.71 1.14 -0.49 0.32 2.07 -0.44 0.54 116.25 120.10 2x97 h VAL 76 Ca 0.22 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 2x97 h VAL 76 Cb -0.02 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2x97 h VAL 76 CO -0.08 0.14 -0.03 0.00 0.02 0.00 0.00 177.57 177.62 2x97 h ALA 77 N 1.15 1.02 0.05 1.67 0.00 -0.61 -1.14 119.26 121.40 2x97 h ALA 77 Ca 0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2x97 h ALA 77 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2x97 h ALA 77 CO -0.03 0.60 -0.02 1.03 0.00 0.00 0.00 179.25 180.82 2x97 h SER 78 N 0.77 -0.05 -0.11 0.00 0.87 -0.95 -3.03 113.55 111.06 2x97 h SER 78 Ca 0.14 -0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.56 2x97 h SER 78 Cb 0.52 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2x97 h SER 78 CO 0.03 0.14 0.10 0.44 -0.53 0.00 0.00 176.83 177.01 2x97 h ASP 79 N -0.25 0.00 -0.11 6.23 3.45 -0.58 -2.39 116.42 122.77 2x97 h ASP 79 Ca -0.01 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.49 2x97 h ASP 79 Cb 0.23 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2x97 h ASP 79 CO 0.01 0.00 0.09 0.71 -1.57 0.00 0.00 179.24 178.48 2x97 h THR 80 N 0.00 0.80 0.00 0.35 1.35 -1.08 -1.84 112.91 112.49 2x97 h THR 80 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 2x97 h THR 80 Cb 0.26 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2x97 h THR 80 CO -0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 2x97 n THR 81 N -4.29 0.95 0.73 6.82 -2.24 -0.90 -1.96 114.28 113.38 2x97 n THR 81 Ca -0.00 0.36 0.13 0.00 -2.27 0.00 0.00 64.05 62.26 2x97 n THR 81 Cb 0.20 -1.29 0.49 0.00 -2.10 0.00 0.00 70.33 67.63 2x97 n THR 81 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2x97 n LYS 82 N -2.13 0.12 -4.42 -0.78 5.02 -0.69 -4.74 118.16 110.55 2x97 n LYS 82 Ca 0.01 0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 56.12 2x97 n LYS 82 Cb 0.17 -1.66 -0.11 0.00 -0.02 0.00 0.00 35.03 33.41 2x97 n LYS 82 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x97 s PHE 83 N -3.08 3.06 -0.57 2.13 0.08 -0.83 -5.00 117.98 113.78 2x97 s PHE 83 Ca 0.11 -0.08 -0.06 0.00 0.12 0.00 0.00 56.93 57.02 2x97 s PHE 83 Cb 0.14 -1.87 -0.16 0.00 -0.57 0.00 0.00 43.02 40.57 2x97 s PHE 83 CO 0.51 0.19 2.86 1.04 -0.10 0.00 0.00 175.22 179.71 2x97 n GLN 84 N 2.89 2.23 0.05 0.44 1.13 -1.26 -4.74 117.38 118.12 2x97 n GLN 84 Ca -0.18 -1.27 0.01 0.00 -1.94 0.00 0.00 57.00 53.62 2x97 n GLN 84 Cb 0.53 -2.23 0.34 0.00 0.11 0.00 0.00 30.24 28.99 2x97 n GLN 84 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 2x97 h TRP 85 N 4.42 0.41 0.00 1.08 5.08 -1.95 0.55 115.95 125.54 2x97 h TRP 85 Ca 0.40 -0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.32 2x97 h TRP 85 Cb 0.80 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 26.85 2x97 h TRP 85 CO 1.76 0.46 0.00 0.00 -1.28 0.00 0.00 178.44 179.38 2x97 h ARG 86 N 0.38 0.00 -0.01 0.12 3.08 -1.95 -1.25 114.38 114.74 2x97 h ARG 86 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2x97 h ARG 86 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2x97 h ARG 86 CO 0.02 0.00 -0.12 0.43 -1.07 0.00 0.00 179.97 179.22 2x97 n SER 87 N -2.56 1.16 -4.80 7.04 7.64 0.18 -4.99 113.62 117.30 2x97 n SER 87 Ca 0.00 -1.14 -0.31 0.00 1.01 0.00 0.00 58.87 58.44 2x97 n SER 87 Cb 0.18 0.05 0.07 0.00 -1.01 0.00 0.00 64.21 63.50 2x97 n SER 87 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2x97 s TYR 88 N -2.26 2.90 0.05 1.43 2.02 -0.47 -4.98 117.35 116.04 2x97 s TYR 88 Ca 0.32 1.39 -0.13 0.00 -0.37 0.00 0.00 57.07 58.27 2x97 s TYR 88 Cb 0.20 -2.98 -0.30 0.00 -0.40 0.00 0.00 41.96 38.49 2x97 s TYR 88 CO 0.43 -1.52 1.09 1.96 -1.57 0.00 0.00 175.55 175.94 2x97 h GLN 89 N -0.93 0.55 -6.52 -0.62 1.08 -1.94 -3.45 115.11 103.29 2x97 h GLN 89 Ca -0.45 -0.80 -0.57 0.00 -1.45 0.00 0.00 58.65 55.39 2x97 h GLN 89 Cb 1.23 0.28 -0.05 0.00 -0.05 0.00 0.00 27.48 28.88 2x97 h GLN 89 CO 0.56 1.37 1.02 0.45 -0.95 0.00 0.00 178.83 181.27 2x97 s SER 90 N -7.43 6.47 0.44 1.46 0.15 -1.26 -4.88 113.70 108.66 2x97 s SER 90 Ca -0.08 0.86 0.12 0.00 0.70 0.00 0.00 55.95 57.54 2x97 s SER 90 Cb 0.05 -2.54 1.01 0.00 -1.71 0.00 0.00 66.02 62.84 2x97 s SER 90 CO 0.93 -1.31 2.04 -0.33 1.20 0.00 0.00 173.24 175.77 2x97 h GLU 91 N 10.08 0.38 -0.27 5.44 4.39 -1.99 -0.39 114.58 132.21 2x97 h GLU 91 Ca -0.26 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.34 2x97 h GLU 91 Cb 1.09 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 2x97 h GLU 91 CO 1.08 0.25 -0.13 0.22 -1.16 0.00 0.00 179.01 179.27 2x97 h ASP 92 N 0.39 0.58 -0.51 1.42 3.58 -1.94 -0.55 116.42 119.39 2x97 h ASP 92 Ca 0.18 -0.40 -0.11 0.00 0.42 0.00 0.00 57.03 57.12 2x97 h ASP 92 Cb 0.23 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2x97 h ASP 92 CO -0.04 0.86 -0.10 -0.07 -2.88 0.00 0.00 179.24 177.01 2x97 h LEU 93 N 0.31 0.98 -0.99 2.28 3.38 -1.85 -2.11 115.31 117.30 2x97 h LEU 93 Ca 0.06 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2x97 h LEU 93 Cb 0.64 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2x97 h LEU 93 CO 0.04 1.10 0.60 0.11 0.09 0.00 0.00 178.44 180.38 2x97 h LYS 94 N 0.84 1.28 -0.79 1.13 1.57 -0.93 -1.02 116.57 118.66 2x97 h LYS 94 Ca 0.13 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2x97 h LYS 94 Cb 0.66 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 2x97 h LYS 94 CO 0.05 0.88 0.45 -0.09 -0.57 0.00 0.00 179.45 180.16 2x97 h ARG 95 N 1.31 1.09 -0.24 3.15 2.43 -0.87 0.25 114.38 121.51 2x97 h ARG 95 Ca 0.35 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2x97 h ARG 95 Cb -0.09 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 2x97 h ARG 95 CO -0.07 0.80 0.05 1.96 -1.51 0.00 0.00 179.97 181.20 2x97 h GLN 96 N 1.09 0.38 -0.64 0.20 4.20 -1.09 -0.73 115.11 118.52 2x97 h GLN 96 Ca 0.28 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2x97 h GLN 96 Cb 0.01 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2x97 h GLN 96 CO -0.05 0.50 0.32 0.74 -0.67 0.00 0.00 178.83 179.67 2x97 h PHE 97 N 0.21 0.92 -0.25 2.96 0.04 -0.93 -2.54 116.94 117.35 2x97 h PHE 97 Ca 0.07 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.83 2x97 h PHE 97 Cb 0.29 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2x97 h PHE 97 CO 0.01 0.69 0.07 -0.22 -0.60 0.00 0.00 178.31 178.26 2x97 h LYS 98 N 0.89 0.17 -0.90 1.51 3.64 -0.82 -2.36 116.57 118.70 2x97 h LYS 98 Ca 0.22 -0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.81 2x97 h LYS 98 Cb 0.11 -0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 31.77 2x97 h LYS 98 CO -0.03 0.11 0.40 0.00 -2.27 0.00 0.00 179.45 177.66 2x97 h ALA 99 N 1.17 1.44 0.00 5.00 0.00 -0.78 -1.74 119.26 124.35 2x97 h ALA 99 Ca 0.11 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2x97 h ALA 99 Cb 0.10 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2x97 h ALA 99 CO -0.14 -0.34 -0.09 -0.07 0.00 0.00 0.00 179.25 178.62 2x97 h LEU 100 N 0.40 0.00 -0.60 0.00 3.38 -1.03 -2.71 115.31 114.75 2x97 h LEU 100 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 2x97 h LEU 100 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2x97 h LEU 100 CO -0.53 0.09 0.00 0.71 0.09 0.00 0.00 178.44 178.80 2x97 h THR 101 N 0.00 0.00 -2.54 0.22 1.35 -0.90 -3.39 112.91 107.65 2x97 h THR 101 Ca -0.00 -0.56 -0.63 0.00 -0.55 0.00 0.00 66.41 64.67 2x97 h THR 101 Cb 0.57 1.50 -0.14 0.00 -1.73 0.00 0.00 68.15 68.34 2x97 h THR 101 CO 0.01 0.00 0.66 -0.54 -0.25 0.00 0.00 175.52 175.40 2x97 s LYS 102 N -3.35 3.20 0.15 4.72 1.02 -1.03 -4.86 119.74 119.59 2x97 s LYS 102 Ca 0.05 -0.92 0.14 0.00 0.02 0.00 0.00 55.97 55.27 2x97 s LYS 102 Cb 0.09 -4.36 -0.07 0.00 -0.52 0.00 0.00 37.83 32.97 2x97 s LYS 102 CO 0.55 -1.85 1.12 -0.07 -0.92 0.00 0.00 175.35 174.18 2x97 h LEU 103 N 11.42 0.00 0.00 3.17 3.38 -1.86 -3.50 115.31 127.93 2x97 h LEU 103 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2x97 h LEU 103 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2x97 h LEU 103 CO 1.19 0.63 0.00 0.61 0.09 0.00 0.00 178.44 180.97 2x97 n GLY 104 N 1.33 2.99 0.34 0.83 0.00 -1.26 -1.95 105.19 107.47 2x97 n GLY 104 Ca -0.04 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 45.99 2x97 n GLY 104 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2x97 h TYR 105 N 0.00 0.02 0.00 1.61 0.05 -1.95 -1.41 116.97 115.29 2x97 h TYR 105 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2x97 h TYR 105 Cb 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2x97 h TYR 105 CO 0.00 0.01 0.00 0.00 -1.05 0.00 0.00 178.16 177.12 2x97 n ALA 106 N -2.60 1.51 0.45 3.88 0.00 -0.82 -1.32 120.51 121.61 2x97 n ALA 106 Ca 0.05 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.58 2x97 n ALA 106 Cb 0.41 -1.13 0.47 0.00 0.00 0.00 0.00 19.45 19.20 2x97 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x97 h ALA 107 N 2.36 1.00 -2.68 0.00 0.00 -1.40 -3.43 119.26 115.11 2x97 h ALA 107 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2x97 h ALA 107 Cb 0.09 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.93 2x97 h ALA 107 CO 0.00 0.00 0.48 -0.51 0.00 0.00 0.00 179.25 179.22 2x97 s LEU 108 N -4.74 4.14 0.39 0.00 1.43 -0.43 -4.99 118.68 114.48 2x97 s LEU 108 Ca 0.06 2.27 -0.24 0.00 -1.03 0.00 0.00 54.13 55.19 2x97 s LEU 108 Cb 0.10 -4.11 -0.13 0.00 0.03 0.00 0.00 46.19 42.09 2x97 s LEU 108 CO 0.48 -0.70 0.71 -2.65 0.23 0.00 0.00 176.35 174.43 2x97 n PRO 109 N -0.09 0.80 -0.37 1.29 -0.02 -1.26 -4.51 135.00 130.84 2x97 n PRO 109 Ca 0.05 0.29 -0.01 0.00 -2.02 0.00 0.00 63.50 61.81 2x97 n PRO 109 Cb 0.47 -1.63 0.03 0.00 -0.02 0.00 0.00 33.50 32.35 2x97 n PRO 109 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2x97 n GLU 110 N 0.53 -0.23 -0.14 -0.52 2.13 -1.26 -0.96 120.64 120.19 2x97 n GLU 110 Ca 0.11 1.47 -0.05 0.00 0.66 0.00 0.00 57.16 59.34 2x97 n GLU 110 Cb 0.37 -2.17 0.13 0.00 0.27 0.00 0.00 31.44 30.04 2x97 n GLU 110 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2x97 h ASP 111 N 0.00 0.84 0.05 4.31 3.32 -2.00 -1.23 116.42 121.70 2x97 h ASP 111 Ca 0.32 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 2x97 h ASP 111 Cb 0.56 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2x97 h ASP 111 CO -0.94 0.89 -0.54 0.44 -1.72 0.00 0.00 179.24 177.37 2x97 h ASP 112 N 0.81 0.59 -0.35 6.45 3.32 -1.58 -1.33 116.42 124.33 2x97 h ASP 112 Ca 0.16 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 2x97 h ASP 112 Cb 0.46 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2x97 h ASP 112 CO 0.02 1.01 0.07 0.22 -1.72 0.00 0.00 179.24 178.84 2x97 h TYR 113 N 0.41 0.60 -0.61 4.55 3.20 -0.90 0.29 116.97 124.51 2x97 h TYR 113 Ca 0.01 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 2x97 h TYR 113 Cb 1.08 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 2x97 h TYR 113 CO 0.04 0.62 0.31 0.00 -1.64 0.00 0.00 178.16 177.50 2x97 h ALA 114 N 0.91 0.79 -0.64 1.82 0.00 -1.10 -1.00 119.26 120.04 2x97 h ALA 114 Ca 0.11 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2x97 h ALA 114 Cb 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2x97 h ALA 114 CO 0.00 0.34 0.42 1.49 0.00 0.00 0.00 179.25 181.50 2x97 h GLU 115 N 0.84 0.84 -0.32 0.00 4.81 -1.20 -1.17 114.58 118.38 2x97 h GLU 115 Ca 0.21 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2x97 h GLU 115 Cb 0.09 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2x97 h GLU 115 CO -0.03 0.56 0.16 1.25 -0.73 0.00 0.00 179.01 180.22 2x97 h LEU 116 N 0.86 0.41 -0.83 1.64 5.85 -0.41 -1.46 115.31 121.38 2x97 h LEU 116 Ca 0.23 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.91 2x97 h LEU 116 Cb -0.10 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 2x97 h LEU 116 CO -0.05 0.41 0.49 -0.07 -0.34 0.00 0.00 178.44 178.88 2x97 h LEU 117 N 0.38 0.73 -1.24 2.25 3.38 -1.02 -0.20 115.31 119.59 2x97 h LEU 117 Ca 0.11 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 2x97 h LEU 117 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2x97 h LEU 117 CO -0.01 0.44 -0.36 0.44 0.09 0.00 0.00 178.44 179.04 2x97 h ASP 118 N 0.86 0.00 0.11 -0.43 3.45 -0.93 -1.84 116.42 117.64 2x97 h ASP 118 Ca 0.38 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.84 2x97 h ASP 118 Cb 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 2x97 h ASP 118 CO -0.21 0.36 -0.05 0.74 -1.57 0.00 0.00 179.24 178.50 2x97 h THR 119 N 0.00 1.08 -0.66 0.35 2.02 -0.51 -1.49 112.91 113.71 2x97 h THR 119 Ca -0.00 -0.83 0.07 0.00 0.77 0.00 0.00 66.41 66.42 2x97 h THR 119 Cb 0.70 1.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.65 2x97 h THR 119 CO 0.05 0.20 0.35 -0.07 0.37 0.00 0.00 175.52 176.41 2x97 h LEU 120 N -0.54 0.49 -0.61 2.58 3.38 -0.87 -1.68 115.31 118.05 2x97 h LEU 120 Ca -0.02 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 2x97 h LEU 120 Cb 0.44 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2x97 h LEU 120 CO 0.03 0.31 -0.64 0.77 0.09 0.00 0.00 178.44 179.00 2x97 h SER 121 N 0.63 0.27 -0.46 -0.43 4.64 -1.35 -0.64 113.55 116.21 2x97 h SER 121 Ca 0.30 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2x97 h SER 121 Cb 0.24 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2x97 h SER 121 CO -0.21 0.83 0.24 0.00 -0.87 0.00 0.00 176.83 176.82 2x97 h ALA 122 N 1.17 0.60 -0.19 5.18 0.00 -0.68 0.42 119.26 125.75 2x97 h ALA 122 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2x97 h ALA 122 Cb 1.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2x97 h ALA 122 CO 0.10 0.14 0.04 0.52 0.00 0.00 0.00 179.25 180.05 2x97 h MET 123 N 0.61 0.31 -0.13 0.00 2.86 -1.00 0.10 114.93 117.68 2x97 h MET 123 Ca 0.16 -0.08 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 2x97 h MET 123 Cb 0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2x97 h MET 123 CO -0.02 0.45 -0.61 1.49 1.06 0.00 0.00 176.91 179.28 2x97 h GLU 124 N 0.11 0.45 -0.20 1.72 4.81 -1.02 -1.67 114.58 118.79 2x97 h GLU 124 Ca 0.06 -0.31 -0.17 0.00 -0.13 0.00 0.00 59.36 58.80 2x97 h GLU 124 Cb 0.29 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2x97 h GLU 124 CO 0.00 0.93 -0.58 0.66 -0.73 0.00 0.00 179.01 179.29 2x97 h SER 125 N 0.33 0.71 -0.24 1.04 4.64 -0.86 -1.51 113.55 117.67 2x97 h SER 125 Ca -0.01 -0.39 0.06 0.00 -0.47 0.00 0.00 61.79 60.98 2x97 h SER 125 Cb 1.16 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 62.97 2x97 h SER 125 CO 0.11 1.13 -0.25 -1.13 -0.87 0.00 0.00 176.83 175.82 2x97 h ASN 126 N 0.48 -0.80 -0.17 4.97 -0.73 -0.86 -1.00 115.58 117.47 2x97 h ASN 126 Ca 0.00 0.14 0.03 0.00 1.87 0.00 0.00 56.30 58.35 2x97 h ASN 126 Cb 1.15 0.37 -0.03 0.00 0.27 0.00 0.00 38.32 40.08 2x97 h ASN 126 CO 0.11 -0.29 -0.05 0.15 -0.37 0.00 0.00 177.43 176.99 2x97 h PHE 127 N -0.26 -0.10 0.00 0.67 3.57 -1.04 -2.54 116.94 117.25 2x97 h PHE 127 Ca 0.13 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2x97 h PHE 127 Cb 0.47 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2x97 h PHE 127 CO -0.40 -0.08 -0.10 0.00 -2.23 0.00 0.00 178.31 175.50 2x97 h ALA 128 N 1.16 1.25 -0.30 2.41 0.00 -1.03 -2.75 119.26 120.01 2x97 h ALA 128 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x97 h ALA 128 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2x97 h ALA 128 CO -0.18 0.12 0.00 1.63 0.00 0.00 0.00 179.25 180.83 2x97 n LYS 129 N -3.57 2.47 -1.79 0.00 5.02 -0.40 -4.71 118.16 115.18 2x97 n LYS 129 Ca -0.02 -2.20 -0.41 0.00 -2.02 0.00 0.00 58.31 53.66 2x97 n LYS 129 Cb 0.23 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2x97 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2x97 s VAL 130 N -1.62 2.05 0.01 -0.18 1.01 -1.04 -5.01 120.40 115.61 2x97 s VAL 130 Ca 0.36 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2x97 s VAL 130 Cb 0.22 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2x97 s VAL 130 CO 0.31 0.01 0.03 -0.54 0.00 0.00 0.00 175.10 174.91 2x97 s LYS 131 N -1.77 0.36 0.22 2.72 -0.14 -1.26 -4.27 119.74 115.60 2x97 s LYS 131 Ca 0.55 -0.52 0.04 0.00 -1.36 0.00 0.00 55.97 54.68 2x97 s LYS 131 Cb -0.47 0.14 -0.05 0.00 -1.68 0.00 0.00 37.83 35.77 2x97 s LYS 131 CO 0.60 -0.07 -0.03 0.14 -0.76 0.00 0.00 175.35 175.23 2x97 s VAL 132 N -1.38 1.13 0.18 3.17 -7.23 -0.38 -4.89 120.40 111.00 2x97 s VAL 132 Ca -0.15 -2.05 -0.27 0.00 -1.81 0.00 0.00 61.98 57.70 2x97 s VAL 132 Cb -0.09 -2.27 -0.08 0.00 0.56 0.00 0.00 36.38 34.50 2x97 s VAL 132 CO -0.00 -0.40 0.83 0.00 -0.31 0.00 0.00 175.10 175.22 2x97 n ASP 134 N 1.67 1.88 -0.24 0.00 2.03 -0.10 -4.87 116.55 116.91 2x97 n ASP 134 Ca -0.04 1.12 0.16 0.00 0.52 0.00 0.00 54.79 56.55 2x97 n ASP 134 Cb 0.48 -1.25 0.46 0.00 -0.72 0.00 0.00 41.12 40.09 2x97 n ASP 134 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2x97 h TYR 135 N 4.40 0.64 -0.01 -0.67 3.20 -1.95 -2.74 116.97 119.83 2x97 h TYR 135 Ca -0.46 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2x97 h TYR 135 Cb 1.32 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.39 2x97 h TYR 135 CO 0.58 0.20 -0.50 1.63 -1.64 0.00 0.00 178.16 178.43 2x97 n LYS 136 N -4.53 0.95 -3.31 1.82 5.02 -1.26 -4.83 118.16 112.02 2x97 n LYS 136 Ca 0.18 -0.75 -0.10 0.00 -2.02 0.00 0.00 58.31 55.62 2x97 n LYS 136 Cb 0.60 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 34.07 2x97 n LYS 136 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2x97 s ASP 137 N -2.56 0.26 0.00 4.39 -1.08 -1.03 -4.98 116.67 111.66 2x97 s ASP 137 Ca 0.18 -1.11 0.06 0.00 -0.52 0.00 0.00 52.55 51.16 2x97 s ASP 137 Cb 0.18 1.06 0.33 0.00 -1.46 0.00 0.00 42.92 43.04 2x97 s ASP 137 CO 0.60 -0.26 0.80 -1.54 0.52 0.00 0.00 175.17 175.30 2x97 n SER 138 N 4.53 0.00 -0.00 -0.34 3.41 -1.25 -1.34 113.62 118.63 2x97 n SER 138 Ca 0.09 -0.82 0.03 0.00 -0.26 0.00 0.00 58.87 57.91 2x97 n SER 138 Cb 0.49 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.32 2x97 n SER 138 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2x97 n THR 139 N -0.68 0.72 -3.32 6.66 -1.04 -1.26 -4.76 114.28 110.60 2x97 n THR 139 Ca 0.04 -0.64 -0.46 0.00 -2.04 0.00 0.00 64.05 60.96 2x97 n THR 139 Cb 0.02 -0.35 -0.05 0.00 -1.82 0.00 0.00 70.33 68.12 2x97 n THR 139 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2x97 s LYS 140 N -3.11 2.99 -0.34 -2.82 2.20 -0.45 -4.94 119.74 113.27 2x97 s LYS 140 Ca -0.06 -1.64 0.06 0.00 -0.36 0.00 0.00 55.97 53.97 2x97 s LYS 140 Cb 0.10 -4.27 0.45 0.00 -1.51 0.00 0.00 37.83 32.60 2x97 s LYS 140 CO 0.85 -1.29 1.21 0.00 -0.36 0.00 0.00 175.35 175.76 2x97 n ASP 142 N -0.67 1.83 -4.65 0.00 5.75 -1.22 -4.38 116.55 113.21 2x97 n ASP 142 Ca 0.44 -2.87 -0.42 0.00 -0.01 0.00 0.00 54.79 51.93 2x97 n ASP 142 Cb 0.89 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 40.53 2x97 n ASP 142 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2x97 s LEU 143 N -2.12 4.11 0.40 -2.12 1.02 -0.95 -4.88 118.68 114.14 2x97 s LEU 143 Ca 0.37 1.11 0.00 0.00 0.02 0.00 0.00 54.13 55.63 2x97 s LEU 143 Cb 0.38 -3.24 -0.02 0.00 0.02 0.00 0.00 46.19 43.32 2x97 s LEU 143 CO -0.09 -0.50 0.61 0.00 0.02 0.00 0.00 176.35 176.39 2x97 s ALA 144 N 2.68 3.73 0.16 4.21 0.00 -1.26 -1.25 121.76 130.03 2x97 s ALA 144 Ca 0.37 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 2x97 s ALA 144 Cb -0.16 -2.13 0.06 0.00 0.00 0.00 0.00 23.12 20.90 2x97 s ALA 144 CO 0.09 -0.18 1.68 1.25 0.00 0.00 0.00 175.76 178.59 2x97 h LEU 145 N 0.59 -0.32 -8.14 0.00 5.85 -1.95 0.87 115.31 112.20 2x97 h LEU 145 Ca -0.48 0.10 -0.68 0.00 0.84 0.00 0.00 57.88 57.67 2x97 h LEU 145 Cb 1.23 0.21 -0.32 0.00 0.37 0.00 0.00 40.66 42.16 2x97 h LEU 145 CO 0.59 -0.11 -0.72 -0.62 -0.34 0.00 0.00 178.44 177.24 2x97 s ASP 146 N -5.21 4.54 -0.01 1.25 -1.08 -1.26 -0.93 116.67 113.97 2x97 s ASP 146 Ca -0.14 -0.95 0.20 0.00 -0.52 0.00 0.00 52.55 51.14 2x97 s ASP 146 Cb 0.13 -1.70 -0.24 0.00 -1.46 0.00 0.00 42.92 39.66 2x97 s ASP 146 CO 0.70 -0.17 0.75 -0.81 0.52 0.00 0.00 175.17 176.16 2x97 n PRO 147 N 4.68 0.51 -0.12 4.34 -0.04 -1.26 -4.99 135.00 138.13 2x97 n PRO 147 Ca -0.15 -0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.16 2x97 n PRO 147 Cb 0.46 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2x97 n PRO 147 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2x97 h GLU 148 N 0.00 0.57 0.06 0.54 3.07 -1.42 -1.32 114.58 116.09 2x97 h GLU 148 Ca 0.00 -0.15 -0.28 0.00 -0.50 0.00 0.00 59.36 58.44 2x97 h GLU 148 Cb 0.58 -0.07 0.03 0.00 -0.84 0.00 0.00 28.75 28.44 2x97 h GLU 148 CO 0.00 0.63 -1.12 0.82 -1.40 0.00 0.00 179.01 177.94 2x97 h ILE 149 N 0.41 1.29 -0.16 3.13 2.04 -0.65 -2.97 117.51 120.60 2x97 h ILE 149 Ca 0.11 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 63.61 2x97 h ILE 149 Cb 0.33 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 2x97 h ILE 149 CO 0.00 0.72 0.06 -0.33 0.00 0.00 0.00 178.15 178.61 2x97 h GLU 150 N 0.30 0.22 -0.25 2.37 5.08 -0.99 -1.75 114.58 119.56 2x97 h GLU 150 Ca -0.16 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2x97 h GLU 150 Cb 1.79 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 2x97 h GLU 150 CO 0.22 0.19 0.08 1.49 -1.00 0.00 0.00 179.01 179.99 2x97 h GLU 151 N 0.22 0.38 -0.15 2.33 4.81 -1.09 -0.15 114.58 120.94 2x97 h GLU 151 Ca 0.06 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2x97 h GLU 151 Cb 0.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2x97 h GLU 151 CO -0.01 0.45 0.09 0.28 -0.73 0.00 0.00 179.01 179.09 2x97 h VAL 152 N 0.24 1.09 -0.82 0.32 2.07 -1.28 -2.18 116.25 115.68 2x97 h VAL 152 Ca 0.08 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2x97 h VAL 152 Cb 0.22 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2x97 h VAL 152 CO -0.00 0.08 0.48 0.40 0.02 0.00 0.00 177.57 178.55 2x97 h ILE 153 N 0.16 1.23 0.00 4.57 1.08 -1.23 0.32 117.51 123.64 2x97 h ILE 153 Ca 0.05 -0.52 -0.09 0.00 -0.39 0.00 0.00 64.86 63.91 2x97 h ILE 153 Cb 0.05 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 33.87 2x97 h ILE 153 CO -0.01 0.25 -0.44 0.77 -0.69 0.00 0.00 178.15 178.03 2x97 h SER 154 N 1.13 0.00 0.00 1.72 4.64 -0.93 -3.37 113.55 116.74 2x97 h SER 154 Ca 0.29 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.51 2x97 h SER 154 Cb -0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2x97 h SER 154 CO -0.05 0.44 -1.39 0.29 -0.87 0.00 0.00 176.83 175.25 2x97 n LYS 155 N -3.29 2.65 -2.28 4.77 5.02 -0.82 -4.81 118.16 119.41 2x97 n LYS 155 Ca 0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 2x97 n LYS 155 Cb 0.66 -1.14 -0.02 0.00 -0.02 0.00 0.00 35.03 34.50 2x97 n LYS 155 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2x97 s SER 156 N -3.84 6.63 -0.21 4.39 0.15 0.11 -4.91 113.70 116.02 2x97 s SER 156 Ca -0.04 2.39 0.12 0.00 0.70 0.00 0.00 55.95 59.13 2x97 s SER 156 Cb 0.02 -2.62 0.41 0.00 -1.71 0.00 0.00 66.02 62.12 2x97 s SER 156 CO 0.22 -0.60 1.24 0.54 1.20 0.00 0.00 173.24 175.84 2x97 n ARG 157 N 0.29 1.60 -3.22 5.44 5.12 -1.26 -4.93 116.66 119.70 2x97 n ARG 157 Ca 0.03 -3.17 -0.44 0.00 -1.93 0.00 0.00 57.85 52.33 2x97 n ARG 157 Cb 0.46 -1.63 -0.06 0.00 -1.16 0.00 0.00 32.46 30.06 2x97 n ARG 157 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2x97 s ASP 158 N -3.07 6.19 0.51 0.55 -1.08 -1.26 -4.95 116.67 113.55 2x97 s ASP 158 Ca 0.38 -1.19 0.18 0.00 -0.52 0.00 0.00 52.55 51.40 2x97 s ASP 158 Cb 0.36 -2.26 1.26 0.00 -1.46 0.00 0.00 42.92 40.83 2x97 s ASP 158 CO -0.04 -0.86 2.11 1.12 0.52 0.00 0.00 175.17 178.01 2x97 h HIS 159 N 8.96 0.00 0.08 -5.34 2.07 -1.98 -0.39 115.15 118.55 2x97 h HIS 159 Ca -0.28 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 56.97 2x97 h HIS 159 Cb 1.10 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.09 2x97 h HIS 159 CO 0.73 0.07 -1.14 0.93 -3.07 0.00 0.00 177.93 175.45 2x97 h GLU 160 N 0.00 0.48 -0.11 5.12 5.08 -1.99 -1.80 114.58 121.36 2x97 h GLU 160 Ca -0.00 -0.62 0.02 0.00 -1.00 0.00 0.00 59.36 57.76 2x97 h GLU 160 Cb 0.12 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2x97 h GLU 160 CO 0.01 1.25 -0.02 1.49 -1.00 0.00 0.00 179.01 180.73 2x97 h GLU 161 N 0.22 0.00 -0.75 2.33 4.81 -1.71 -1.60 114.58 117.88 2x97 h GLU 161 Ca -0.14 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.22 2x97 h GLU 161 Cb 1.81 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 31.10 2x97 h GLU 161 CO 0.20 0.00 0.33 -0.07 -0.73 0.00 0.00 179.01 178.74 2x97 h LEU 162 N 0.00 0.35 -0.65 1.64 3.38 -1.08 -2.52 115.31 116.44 2x97 h LEU 162 Ca 0.05 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 2x97 h LEU 162 Cb 0.08 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2x97 h LEU 162 CO -0.11 0.16 -0.44 0.00 0.09 0.00 0.00 178.44 178.14 2x97 h ALA 163 N 1.52 0.83 0.21 1.53 0.00 -1.11 -1.50 119.26 120.74 2x97 h ALA 163 Ca 0.40 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2x97 h ALA 163 Cb 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2x97 h ALA 163 CO -0.36 0.65 -0.13 -0.92 0.00 0.00 0.00 179.25 178.49 2x97 h TYR 164 N 0.44 -0.35 -0.43 0.00 3.20 -0.94 -1.38 116.97 117.52 2x97 h TYR 164 Ca 0.03 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 2x97 h TYR 164 Cb 0.95 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 2x97 h TYR 164 CO 0.04 -0.21 -0.12 1.88 -1.64 0.00 0.00 178.16 178.11 2x97 h TYR 165 N -0.33 0.86 0.23 -3.82 0.05 -1.30 -1.06 116.97 111.59 2x97 h TYR 165 Ca -0.02 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.61 2x97 h TYR 165 Cb 0.28 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 2x97 h TYR 165 CO -0.09 0.85 -0.23 2.35 -1.05 0.00 0.00 178.16 179.99 2x97 h TRP 166 N 0.70 -0.61 -0.49 4.88 7.01 -1.19 -0.96 115.95 125.30 2x97 h TRP 166 Ca 0.12 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.04 2x97 h TRP 166 Cb 0.60 0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.88 2x97 h TRP 166 CO 0.03 -0.34 -0.01 -0.09 -2.79 0.00 0.00 178.44 175.24 2x97 h ARG 167 N -0.49 0.83 -0.33 2.65 2.43 -1.00 -1.19 114.38 117.27 2x97 h ARG 167 Ca -0.00 -0.24 -0.07 0.00 -0.81 0.00 0.00 59.98 58.86 2x97 h ARG 167 Cb 0.46 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2x97 h ARG 167 CO -0.05 0.84 -0.06 0.93 -1.51 0.00 0.00 179.97 180.12 2x97 h GLU 168 N 0.77 0.63 -0.04 0.20 4.39 -1.03 -1.71 114.58 117.79 2x97 h GLU 168 Ca 0.15 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2x97 h GLU 168 Cb 0.49 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2x97 h GLU 168 CO 0.02 0.79 0.01 0.35 -1.16 0.00 0.00 179.01 179.02 2x97 h PHE 169 N 0.42 0.07 -0.73 4.33 3.57 -0.96 -2.56 116.94 121.08 2x97 h PHE 169 Ca 0.09 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 2x97 h PHE 169 Cb 0.54 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2x97 h PHE 169 CO 0.05 0.24 0.29 1.88 -2.23 0.00 0.00 178.31 178.54 2x97 h TYR 170 N -0.13 1.11 -0.80 0.41 -1.99 -1.21 0.24 116.97 114.61 2x97 h TYR 170 Ca 0.01 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.66 2x97 h TYR 170 Cb 0.21 -0.33 -0.04 0.00 2.00 0.00 0.00 36.73 38.57 2x97 h TYR 170 CO -0.01 0.85 0.52 -0.44 -0.00 0.00 0.00 178.16 179.08 2x97 h ASP 171 N 1.05 0.94 0.46 3.88 3.32 -1.27 0.12 116.42 124.91 2x97 h ASP 171 Ca 0.24 -0.03 -0.30 0.00 0.02 0.00 0.00 57.03 56.95 2x97 h ASP 171 Cb 0.21 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2x97 h ASP 171 CO -0.02 0.69 -1.55 0.11 -1.72 0.00 0.00 179.24 176.75 2x97 h LYS 172 N 1.10 0.22 0.00 3.56 1.57 -1.01 -3.01 116.57 119.00 2x97 h LYS 172 Ca 0.29 -0.38 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 2x97 h LYS 172 Cb -0.10 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2x97 h LYS 172 CO -0.06 1.07 -1.52 0.00 -0.57 0.00 0.00 179.45 178.37 2x97 n ALA 173 N -2.66 2.19 -0.36 3.86 0.00 0.81 -4.34 120.51 120.02 2x97 n ALA 173 Ca -0.17 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2x97 n ALA 173 Cb 1.04 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2x97 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x97 n GLY 174 N 1.35 -0.45 0.33 0.00 0.00 0.38 -3.57 105.19 103.23 2x97 n GLY 174 Ca -0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.02 2x97 n GLY 174 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x97 h THR 175 N 0.00 0.98 0.00 2.61 2.02 -0.76 -2.31 112.91 115.45 2x97 h THR 175 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2x97 h THR 175 Cb 0.00 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2x97 h THR 175 CO 0.00 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.96 2x97 h ALA 176 N 1.76 1.00 -0.17 6.16 0.00 -1.72 -2.51 119.26 123.78 2x97 h ALA 176 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2x97 h ALA 176 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2x97 h ALA 176 CO -0.05 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.53 2x97 n VAL 177 N -2.70 1.93 -0.06 0.00 0.24 -0.87 -4.72 118.33 112.16 2x97 n VAL 177 Ca -0.00 -1.85 -0.08 0.00 -2.04 0.00 0.00 64.34 60.38 2x97 n VAL 177 Cb 0.18 -0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 32.42 2x97 n VAL 177 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2x97 h ARG 178 N 1.13 0.04 -0.35 7.34 2.43 -1.55 0.18 114.38 123.60 2x97 h ARG 178 Ca 0.00 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2x97 h ARG 178 Cb 1.16 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2x97 h ARG 178 CO 0.11 0.03 -0.11 0.66 -1.51 0.00 0.00 179.97 179.15 2x97 h SER 179 N 0.05 0.58 -0.44 -3.80 4.64 -1.86 -1.16 113.55 111.56 2x97 h SER 179 Ca 0.12 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 2x97 h SER 179 Cb 0.16 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2x97 h SER 179 CO -0.22 0.72 -0.05 1.56 -0.87 0.00 0.00 176.83 177.98 2x97 h GLN 180 N 0.55 0.80 -0.87 4.77 7.50 -1.83 -2.31 115.11 123.72 2x97 h GLN 180 Ca 0.10 -0.28 0.02 0.00 0.50 0.00 0.00 58.65 58.99 2x97 h GLN 180 Cb 0.51 -0.06 -0.05 0.00 0.05 0.00 0.00 27.48 27.94 2x97 h GLN 180 CO 0.03 0.89 0.57 0.35 -1.50 0.00 0.00 178.83 179.18 2x97 h PHE 181 N 0.64 1.08 -0.54 2.96 3.57 -0.56 0.10 116.94 124.20 2x97 h PHE 181 Ca 0.12 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.68 2x97 h PHE 181 Cb 0.56 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 2x97 h PHE 181 CO 0.04 0.66 0.31 0.93 -2.23 0.00 0.00 178.31 178.03 2x97 h GLU 182 N 1.15 0.59 -0.25 1.11 5.08 -0.95 -1.43 114.58 119.89 2x97 h GLU 182 Ca 0.33 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.54 2x97 h GLU 182 Cb -0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2x97 h GLU 182 CO -0.08 0.39 -0.32 -0.09 -1.00 0.00 0.00 179.01 177.91 2x97 h ARG 183 N 0.61 0.52 -0.48 2.33 9.65 -0.96 -2.47 114.38 123.57 2x97 h ARG 183 Ca 0.22 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2x97 h ARG 183 Cb 0.07 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 2x97 h ARG 183 CO -0.12 0.77 0.24 -0.92 2.80 0.00 0.00 179.97 182.74 2x97 h TYR 184 N 0.44 0.67 -0.40 2.20 3.20 -0.23 -1.82 116.97 121.04 2x97 h TYR 184 Ca 0.05 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2x97 h TYR 184 Cb 0.77 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 2x97 h TYR 184 CO 0.03 0.53 0.19 0.28 -1.64 0.00 0.00 178.16 177.54 2x97 h VAL 185 N 0.62 0.95 -0.38 1.81 2.07 -1.15 0.28 116.25 120.45 2x97 h VAL 185 Ca 0.16 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2x97 h VAL 185 Cb 0.10 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2x97 h VAL 185 CO -0.02 0.07 0.22 -0.33 0.02 0.00 0.00 177.57 177.52 2x97 h GLU 186 N 0.38 0.43 -0.01 1.57 5.08 -1.24 -1.22 114.58 119.57 2x97 h GLU 186 Ca 0.18 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 2x97 h GLU 186 Cb 0.10 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2x97 h GLU 186 CO -0.14 0.28 -0.77 -0.07 -1.00 0.00 0.00 179.01 177.32 2x97 h LEU 187 N 0.44 0.12 -0.73 1.33 3.38 -0.96 -1.32 115.31 117.56 2x97 h LEU 187 Ca 0.16 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2x97 h LEU 187 Cb 0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2x97 h LEU 187 CO -0.08 0.84 0.24 -1.13 0.09 0.00 0.00 178.44 178.40 2x97 h ASN 188 N 0.06 1.06 -0.36 -0.43 -0.73 -0.26 -0.97 115.58 113.95 2x97 h ASN 188 Ca -0.02 -0.20 -0.06 0.00 1.87 0.00 0.00 56.30 57.88 2x97 h ASN 188 Cb 1.35 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.65 2x97 h ASN 188 CO 0.11 0.98 -0.03 0.74 -0.37 0.00 0.00 177.43 178.86 2x97 h THR 189 N 1.08 1.27 -0.87 -3.57 2.02 -1.07 -0.99 112.91 110.78 2x97 h THR 189 Ca 0.24 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.38 2x97 h THR 189 Cb 0.29 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2x97 h THR 189 CO -0.01 0.34 0.56 0.50 0.37 0.00 0.00 175.52 177.28 2x97 h LYS 190 N 0.45 1.15 0.02 6.66 3.64 -1.09 -0.49 116.57 126.91 2x97 h LYS 190 Ca 0.10 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2x97 h LYS 190 Cb 0.50 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2x97 h LYS 190 CO 0.02 0.77 -0.01 0.00 -2.27 0.00 0.00 179.45 177.97 2x97 h ALA 191 N 1.31 -0.02 -0.56 5.00 0.00 -0.99 -1.92 119.26 122.07 2x97 h ALA 191 Ca 0.32 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.20 2x97 h ALA 191 Cb -0.11 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2x97 h ALA 191 CO -0.07 -0.40 0.17 0.00 0.00 0.00 0.00 179.25 178.95 2x97 h ALA 192 N 0.73 0.68 -0.12 0.00 0.00 -0.86 -1.83 119.26 117.86 2x97 h ALA 192 Ca -0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2x97 h ALA 192 Cb 0.24 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2x97 h ALA 192 CO 0.00 -0.25 -0.18 0.87 0.00 0.00 0.00 179.25 179.70 2x97 h LYS 193 N 0.33 0.19 0.00 0.00 1.57 -1.01 -1.38 116.57 116.27 2x97 h LYS 193 Ca 0.28 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2x97 h LYS 193 Cb 0.36 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2x97 h LYS 193 CO -0.32 0.37 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.80 2x97 h LEU 194 N 0.18 0.00 -1.31 2.94 3.38 -0.59 0.72 115.31 120.63 2x97 h LEU 194 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2x97 h LEU 194 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2x97 h LEU 194 CO 0.03 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.21 2x97 n ASN 195 N -3.31 1.99 -1.40 -0.43 3.02 -0.71 -4.95 115.26 109.46 2x97 n ASN 195 Ca -0.01 -1.72 -0.16 0.00 -0.03 0.00 0.00 54.58 52.66 2x97 n ASN 195 Cb 0.23 -0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.26 2x97 n ASN 195 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2x97 n ASN 196 N 0.54 -4.89 -4.86 6.41 3.02 0.25 -5.04 115.26 110.68 2x97 n ASN 196 Ca 0.17 0.28 -0.31 0.00 -0.03 0.00 0.00 54.58 54.69 2x97 n ASN 196 Cb 0.40 -3.87 -0.04 0.00 -0.61 0.00 0.00 39.78 35.66 2x97 n ASN 196 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2x97 s PHE 197 N -2.66 3.44 0.30 3.10 0.08 -0.60 -4.98 117.98 116.66 2x97 s PHE 197 Ca 0.00 1.21 0.04 0.00 0.12 0.00 0.00 56.93 58.30 2x97 s PHE 197 Cb 0.00 -2.57 0.47 0.00 -0.57 0.00 0.00 43.02 40.35 2x97 s PHE 197 CO 0.00 -0.15 1.76 1.15 -0.10 0.00 0.00 175.22 177.88 2x97 h THR 198 N 1.21 1.25 -2.70 0.64 2.02 -1.95 -3.22 112.91 110.16 2x97 h THR 198 Ca -0.47 -1.18 0.10 0.00 0.77 0.00 0.00 66.41 65.62 2x97 h THR 198 Cb 1.18 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 2x97 h THR 198 CO 0.63 0.38 0.44 -0.94 0.37 0.00 0.00 175.52 176.40 2x97 s SER 199 N -6.81 -0.04 0.61 4.18 1.04 -1.26 -4.72 113.70 106.71 2x97 s SER 199 Ca -0.07 -0.79 0.37 0.00 0.48 0.00 0.00 55.95 55.94 2x97 s SER 199 Cb 0.14 0.64 2.02 0.00 0.10 0.00 0.00 66.02 68.92 2x97 s SER 199 CO 0.78 -1.25 2.26 1.23 0.98 0.00 0.00 173.24 177.24 2x97 h GLY 200 N 2.00 0.00 0.83 7.32 0.00 -1.80 -2.16 103.07 109.26 2x97 h GLY 200 Ca -0.28 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 2x97 h GLY 200 CO 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.88 2x97 h ALA 201 N 1.98 -0.04 -0.57 3.60 0.00 -1.90 0.03 119.26 122.36 2x97 h ALA 201 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2x97 h ALA 201 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2x97 h ALA 201 CO 0.00 -0.44 0.00 0.93 0.00 0.00 0.00 179.25 179.75 2x97 h GLU 202 N -0.21 0.99 -0.27 0.00 3.07 -1.82 -0.50 114.58 115.84 2x97 h GLU 202 Ca -0.00 -0.30 0.02 0.00 -0.50 0.00 0.00 59.36 58.58 2x97 h GLU 202 Cb 0.19 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 2x97 h GLU 202 CO 0.01 0.97 0.12 0.00 -1.40 0.00 0.00 179.01 178.70 2x97 h ALA 203 N 1.09 0.32 -0.47 3.43 0.00 -1.30 -0.72 119.26 121.61 2x97 h ALA 203 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2x97 h ALA 203 Cb 0.52 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2x97 h ALA 203 CO 0.03 -0.28 0.30 -1.49 0.00 0.00 0.00 179.25 177.81 2x97 h TRP 204 N 0.26 0.60 0.00 0.00 6.55 -0.62 -2.98 115.95 119.75 2x97 h TRP 204 Ca 0.12 0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.94 2x97 h TRP 204 Cb 0.06 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 28.15 2x97 h TRP 204 CO -0.11 0.39 -0.12 -0.07 -1.05 0.00 0.00 178.44 177.48 2x97 h LEU 205 N 0.63 0.00 -2.22 -4.49 3.38 -0.85 -2.01 115.31 109.75 2x97 h LEU 205 Ca 0.17 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.19 2x97 h LEU 205 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2x97 h LEU 205 CO -0.04 0.12 0.18 -0.78 0.09 0.00 0.00 178.44 178.01 2x97 h ASP 206 N 0.00 0.00 0.37 -0.43 3.58 -0.97 -1.21 116.42 117.76 2x97 h ASP 206 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2x97 h ASP 206 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2x97 h ASP 206 CO 0.02 0.00 0.00 -0.33 -2.88 0.00 0.00 179.24 176.05 2x97 h GLU 207 N 0.00 0.00 -0.01 0.28 4.39 -1.50 -2.21 114.58 115.53 2x97 h GLU 207 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2x97 h GLU 207 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2x97 h GLU 207 CO -0.00 0.00 -0.33 0.66 -1.16 0.00 0.00 179.01 178.18 2x97 n TYR 208 N -3.04 0.00 -4.02 4.33 4.01 -0.46 -4.64 117.16 113.35 2x97 n TYR 208 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.45 2x97 n TYR 208 Cb 0.15 -0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 2x97 n TYR 208 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2x97 n GLU 209 N -0.66 -3.07 -3.15 -0.72 1.02 -0.83 -4.91 120.64 108.31 2x97 n GLU 209 Ca 0.11 0.37 0.04 0.00 -0.02 0.00 0.00 57.16 57.66 2x97 n GLU 209 Cb 0.36 -4.51 -0.01 0.00 -0.02 0.00 0.00 31.44 27.26 2x97 n GLU 209 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2x97 s ASP 210 N -4.24 -1.41 0.00 1.62 3.68 -1.26 -5.01 116.67 110.05 2x97 s ASP 210 Ca 0.10 0.57 0.13 0.00 2.13 0.00 0.00 52.55 55.48 2x97 s ASP 210 Cb -0.05 2.06 0.78 0.00 -1.45 0.00 0.00 42.92 44.26 2x97 s ASP 210 CO 0.90 -0.26 1.28 -0.90 0.13 0.00 0.00 175.17 176.32 2x97 n ASP 211 N 5.42 0.00 -0.32 -0.34 5.68 -1.26 -1.66 116.55 124.07 2x97 n ASP 211 Ca 0.01 -0.94 0.09 0.00 -0.50 0.00 0.00 54.79 53.46 2x97 n ASP 211 Cb 0.52 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.68 2x97 n ASP 211 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2x97 n THR 212 N -0.80 2.02 -0.16 2.12 -2.24 -1.26 -4.79 114.28 109.16 2x97 n THR 212 Ca 0.10 -2.19 -0.07 0.00 -2.27 0.00 0.00 64.05 59.61 2x97 n THR 212 Cb 0.04 -0.25 0.02 0.00 -2.10 0.00 0.00 70.33 68.05 2x97 n THR 212 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2x97 h PHE 213 N 0.53 0.57 -0.07 4.78 3.57 -1.73 -1.29 116.94 123.30 2x97 h PHE 213 Ca 0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2x97 h PHE 213 Cb 1.13 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 2x97 h PHE 213 CO 0.17 0.35 0.04 0.93 -2.23 0.00 0.00 178.31 177.57 2x97 h GLU 214 N 0.62 0.10 -0.96 1.11 5.08 -1.87 -2.19 114.58 116.47 2x97 h GLU 214 Ca 0.18 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.66 2x97 h GLU 214 Cb -0.05 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.10 2x97 h GLU 214 CO -0.05 0.14 0.61 0.37 -1.00 0.00 0.00 179.01 179.08 2x97 h GLN 215 N 0.03 0.85 -0.61 2.33 5.75 -1.88 0.11 115.11 121.70 2x97 h GLN 215 Ca 0.03 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 2x97 h GLN 215 Cb 0.07 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 2x97 h GLN 215 CO -0.00 0.56 0.16 1.96 -2.65 0.00 0.00 178.83 178.86 2x97 h GLN 216 N 0.88 0.93 -0.14 1.69 4.20 -0.74 -1.40 115.11 120.53 2x97 h GLN 216 Ca 0.48 -0.19 -0.20 0.00 0.06 0.00 0.00 58.65 58.80 2x97 h GLN 216 Cb 0.58 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2x97 h GLN 216 CO -0.25 0.82 -0.72 -0.07 -0.67 0.00 0.00 178.83 177.94 2x97 h LEU 217 N 0.90 0.73 -0.65 1.46 3.38 -0.75 -1.55 115.31 118.83 2x97 h LEU 217 Ca 0.20 -0.47 0.05 0.00 0.09 0.00 0.00 57.88 57.75 2x97 h LEU 217 Cb 0.30 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2x97 h LEU 217 CO -0.00 1.23 0.37 -0.33 0.09 0.00 0.00 178.44 179.81 2x97 h GLU 218 N 0.44 0.69 -0.30 1.13 4.39 -0.82 0.41 114.58 120.51 2x97 h GLU 218 Ca -0.03 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 2x97 h GLU 218 Cb 1.32 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2x97 h GLU 218 CO 0.14 0.46 0.01 -0.44 -1.16 0.00 0.00 179.01 178.02 2x97 h ASP 219 N 0.71 0.51 -0.24 1.42 3.32 -1.07 0.13 116.42 121.20 2x97 h ASP 219 Ca 0.28 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2x97 h ASP 219 Cb 0.12 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2x97 h ASP 219 CO -0.15 0.68 -0.01 0.40 -1.72 0.00 0.00 179.24 178.45 2x97 h ILE 220 N 0.32 1.26 -0.73 0.35 2.04 -1.05 -2.85 117.51 116.85 2x97 h ILE 220 Ca 0.09 -0.92 0.07 0.00 1.00 0.00 0.00 64.86 65.09 2x97 h ILE 220 Cb 0.41 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 2x97 h ILE 220 CO 0.01 0.29 0.41 0.15 0.00 0.00 0.00 178.15 179.01 2x97 h PHE 221 N 0.20 0.75 -0.63 1.37 3.57 -0.02 -2.08 116.94 120.09 2x97 h PHE 221 Ca 0.07 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.70 2x97 h PHE 221 Cb 0.43 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 2x97 h PHE 221 CO 0.04 0.34 0.42 0.00 -2.23 0.00 0.00 178.31 176.89 2x97 h ALA 222 N 1.38 2.04 -0.01 2.41 0.00 -0.59 0.14 119.26 124.63 2x97 h ALA 222 Ca 0.33 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 2x97 h ALA 222 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2x97 h ALA 222 CO -0.20 -0.18 -0.67 -0.44 0.00 0.00 0.00 179.25 177.76 2x97 h ASP 223 N 0.41 0.03 0.21 0.00 3.32 -1.15 -3.26 116.42 115.97 2x97 h ASP 223 Ca 0.30 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 2x97 h ASP 223 Cb 0.61 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2x97 h ASP 223 CO -0.08 0.69 -1.83 -0.38 -1.72 0.00 0.00 179.24 175.91 2x97 n ILE 224 N -3.76 0.29 -0.32 0.35 2.08 -0.83 -4.43 119.36 112.75 2x97 n ILE 224 Ca -0.01 -0.55 0.16 0.00 0.56 0.00 0.00 62.75 62.91 2x97 n ILE 224 Cb 0.66 -0.13 0.40 0.00 -0.75 0.00 0.00 39.64 39.81 2x97 n ILE 224 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2x97 h ARG 225 N 0.00 0.60 -0.74 0.38 2.43 -0.78 -1.89 114.38 114.38 2x97 h ARG 225 Ca -0.06 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2x97 h ARG 225 Cb 1.14 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 2x97 h ARG 225 CO 0.00 0.40 0.38 -1.35 -1.51 0.00 0.00 179.97 177.90 2x97 h PRO 226 N 0.62 1.04 -0.66 0.20 0.11 -1.77 0.01 132.00 131.55 2x97 h PRO 226 Ca 0.54 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.51 2x97 h PRO 226 Cb 1.04 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 2x97 h PRO 226 CO -0.30 0.78 0.34 1.25 -0.21 0.00 0.00 178.00 179.86 2x97 h LEU 227 N 1.04 0.83 -0.61 2.35 5.85 -1.64 -2.27 115.31 120.87 2x97 h LEU 227 Ca 0.26 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2x97 h LEU 227 Cb 0.06 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2x97 h LEU 227 CO -0.04 0.71 0.34 0.22 -0.34 0.00 0.00 178.44 179.33 2x97 h TYR 228 N 0.90 0.63 -0.75 1.25 3.20 -0.84 -1.88 116.97 119.49 2x97 h TYR 228 Ca 0.23 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.14 2x97 h TYR 228 Cb 0.07 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 2x97 h TYR 228 CO -0.00 0.32 0.49 1.96 -1.64 0.00 0.00 178.16 179.29 2x97 h GLN 229 N 0.65 0.93 -0.65 1.82 1.08 -0.76 0.83 115.11 119.02 2x97 h GLN 229 Ca 0.27 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.33 2x97 h GLN 229 Cb 0.13 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 2x97 h GLN 229 CO -0.15 0.62 0.08 1.96 -0.95 0.00 0.00 178.83 180.38 2x97 h GLN 230 N 0.96 1.09 -0.18 1.46 1.08 -0.81 -0.76 115.11 117.95 2x97 h GLN 230 Ca 0.29 -0.30 -0.15 0.00 -1.45 0.00 0.00 58.65 57.03 2x97 h GLN 230 Cb -0.03 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 2x97 h GLN 230 CO -0.07 1.01 -0.47 0.82 -0.95 0.00 0.00 178.83 179.17 2x97 h ILE 231 N 1.01 1.33 -0.22 2.54 2.04 -0.65 -1.53 117.51 122.02 2x97 h ILE 231 Ca 0.19 -1.72 0.05 0.00 1.00 0.00 0.00 64.86 64.38 2x97 h ILE 231 Cb 0.47 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 2x97 h ILE 231 CO 0.02 0.53 -0.06 -0.74 0.00 0.00 0.00 178.15 177.90 2x97 h HIS 232 N 0.31 -0.12 -0.60 1.37 2.76 -0.84 0.12 115.15 118.14 2x97 h HIS 232 Ca -0.01 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2x97 h HIS 232 Cb 1.09 0.09 -0.03 0.00 1.55 0.00 0.00 27.41 30.11 2x97 h HIS 232 CO 0.09 -0.10 0.28 0.78 -1.30 0.00 0.00 177.93 177.69 2x97 h GLY 233 N -0.00 0.93 0.98 5.26 0.00 -0.96 -1.50 103.07 107.78 2x97 h GLY 233 Ca 0.11 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 2x97 h GLY 233 CO -0.23 0.45 -0.20 -1.82 0.00 0.00 0.00 176.54 174.74 2x97 h TYR 234 N 0.82 0.86 -0.37 5.60 5.03 -0.93 -1.98 116.97 126.01 2x97 h TYR 234 Ca 0.21 -0.22 0.01 0.00 2.58 0.00 0.00 58.73 61.30 2x97 h TYR 234 Cb 0.13 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.20 2x97 h TYR 234 CO 0.00 0.96 0.24 0.28 -1.32 0.00 0.00 178.16 178.32 2x97 h VAL 235 N 0.52 1.08 -0.62 1.81 2.07 -0.52 -0.75 116.25 119.84 2x97 h VAL 235 Ca 0.07 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2x97 h VAL 235 Cb 0.74 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 2x97 h VAL 235 CO 0.06 0.09 0.35 -0.09 0.02 0.00 0.00 177.57 177.99 2x97 h ARG 236 N 0.49 0.64 -0.61 1.57 2.43 -1.13 0.93 114.38 118.69 2x97 h ARG 236 Ca 0.14 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 2x97 h ARG 236 Cb -0.04 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 2x97 h ARG 236 CO -0.04 0.42 0.34 0.35 -1.51 0.00 0.00 179.97 179.53 2x97 h PHE 237 N 0.65 0.62 -0.23 2.20 3.57 -1.10 -0.53 116.94 122.13 2x97 h PHE 237 Ca 0.27 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.63 2x97 h PHE 237 Cb 0.14 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 2x97 h PHE 237 CO -0.08 0.31 -0.54 0.00 -2.23 0.00 0.00 178.31 175.77 2x97 h ARG 238 N 0.64 0.68 -0.37 1.11 2.47 -0.43 -2.77 114.38 115.70 2x97 h ARG 238 Ca 0.27 -0.43 -0.06 0.00 -1.26 0.00 0.00 59.98 58.49 2x97 h ARG 238 Cb 0.14 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 2x97 h ARG 238 CO -0.16 1.05 -0.04 -0.07 0.56 0.00 0.00 179.97 181.31 2x97 h LEU 239 N 0.52 0.58 -1.17 3.04 3.38 -0.57 -2.67 115.31 118.42 2x97 h LEU 239 Ca 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2x97 h LEU 239 Cb 1.11 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2x97 h LEU 239 CO 0.11 0.68 0.32 0.03 0.09 0.00 0.00 178.44 179.67 2x97 h ARG 240 N 0.57 0.89 -0.08 1.13 3.08 -0.86 0.53 114.38 119.65 2x97 h ARG 240 Ca 0.11 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 2x97 h ARG 240 Cb 0.43 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2x97 h ARG 240 CO 0.02 0.68 -0.43 0.87 -1.07 0.00 0.00 179.97 180.04 2x97 h LYS 241 N 0.90 0.18 0.00 0.04 1.57 -1.22 0.67 116.57 118.70 2x97 h LYS 241 Ca 0.22 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2x97 h LYS 241 Cb 0.07 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2x97 h LYS 241 CO -0.03 0.58 -0.19 1.25 -0.57 0.00 0.00 179.45 180.48 2x97 h HIS 242 N 0.15 0.00 0.00 -1.35 2.76 -1.11 -3.40 115.15 112.20 2x97 h HIS 242 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2x97 h HIS 242 Cb 0.82 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.78 2x97 h HIS 242 CO 0.01 0.83 -1.60 0.66 -1.30 0.00 0.00 177.93 176.53 2x97 n TYR 243 N -4.62 0.20 0.00 5.26 4.01 0.13 -5.09 117.16 117.05 2x97 n TYR 243 Ca -0.11 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 2x97 n TYR 243 Cb 0.40 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 2x97 n TYR 243 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x97 n GLY 244 N 1.29 -0.51 0.00 2.72 0.00 0.23 -4.48 105.19 104.44 2x97 n GLY 244 Ca -0.02 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.44 2x97 n GLY 244 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x97 n ASP 245 N -1.33 0.09 0.21 1.61 9.92 -1.26 -2.26 116.55 123.53 2x97 n ASP 245 Ca 0.00 0.30 0.08 0.00 -0.53 0.00 0.00 54.79 54.64 2x97 n ASP 245 Cb 0.00 -0.35 0.42 0.00 -0.64 0.00 0.00 41.12 40.55 2x97 n ASP 245 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2x97 h ALA 246 N 3.05 1.04 0.04 2.24 0.00 -1.96 -3.34 119.26 120.33 2x97 h ALA 246 Ca 0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 54.91 54.27 2x97 h ALA 246 Cb 0.48 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2x97 h ALA 246 CO 0.00 0.36 -2.31 0.28 0.00 0.00 0.00 179.25 177.58 2x97 n VAL 247 N -3.49 1.58 -4.29 0.00 0.31 -1.05 -4.92 118.33 106.47 2x97 n VAL 247 Ca -0.00 -0.56 -0.28 0.00 -0.01 0.00 0.00 64.34 63.48 2x97 n VAL 247 Cb 0.45 -1.57 -0.17 0.00 -0.91 0.00 0.00 33.84 31.65 2x97 n VAL 247 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2x97 s VAL 248 N -2.53 1.42 0.43 2.52 1.01 -0.96 -4.82 120.40 117.48 2x97 s VAL 248 Ca -0.31 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 2x97 s VAL 248 Cb 0.09 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2x97 s VAL 248 CO 0.64 0.43 0.67 -0.94 0.00 0.00 0.00 175.10 175.90 2x97 s SER 249 N 1.17 6.08 0.24 3.32 1.04 -1.26 -4.33 113.70 119.96 2x97 s SER 249 Ca -0.03 0.53 0.01 0.00 0.48 0.00 0.00 55.95 56.94 2x97 s SER 249 Cb -0.14 -1.89 0.29 0.00 0.10 0.00 0.00 66.02 64.38 2x97 s SER 249 CO -0.04 -0.56 1.62 -0.08 0.98 0.00 0.00 173.24 175.16 2x97 h GLU 250 N 0.43 0.46 0.00 4.02 4.81 -1.95 -3.36 114.58 118.99 2x97 h GLU 250 Ca -0.48 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.53 2x97 h GLU 250 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2x97 h GLU 250 CO 0.60 0.79 -0.90 0.25 -0.73 0.00 0.00 179.01 179.02 2x97 n THR 251 N -4.02 0.00 -2.68 0.32 -2.24 -1.26 -4.87 114.28 99.53 2x97 n THR 251 Ca -0.02 -0.24 -0.21 0.00 -2.27 0.00 0.00 64.05 61.31 2x97 n THR 251 Cb 0.51 0.74 0.06 0.00 -2.10 0.00 0.00 70.33 69.53 2x97 n THR 251 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2x97 s GLY 252 N -2.55 1.81 0.56 3.38 0.00 -1.26 -1.76 107.32 107.50 2x97 s GLY 252 Ca 0.01 -1.51 -0.20 0.00 0.00 0.00 0.00 44.72 43.02 2x97 s GLY 252 CO 0.49 -1.15 1.10 -1.05 0.00 0.00 0.00 173.10 172.50 2x97 n PRO 253 N -2.43 1.21 -2.39 2.90 -0.02 -1.26 -4.79 135.00 128.21 2x97 n PRO 253 Ca 0.10 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2x97 n PRO 253 Cb 0.60 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 2x97 n PRO 253 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2x97 s ILE 254 N -1.41 3.99 -0.05 4.25 1.01 -0.15 -4.76 121.20 124.09 2x97 s ILE 254 Ca 0.73 1.41 -0.29 0.00 0.00 0.00 0.00 60.65 62.49 2x97 s ILE 254 Cb -0.44 -3.90 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 2x97 s ILE 254 CO 0.49 0.08 2.03 -2.84 0.00 0.00 0.00 174.94 174.70 2x97 s PRO 255 N 1.41 3.81 0.50 2.79 0.02 -1.26 -1.86 135.00 140.41 2x97 s PRO 255 Ca 0.59 2.40 0.28 0.00 0.02 0.00 0.00 61.00 64.30 2x97 s PRO 255 Cb -0.29 -4.22 1.20 0.00 0.02 0.00 0.00 34.50 31.20 2x97 s PRO 255 CO 0.28 -1.33 1.93 0.00 -0.33 0.00 0.00 177.00 177.55 2x97 h MET 256 N 11.99 0.00 0.00 5.54 -0.00 -1.41 -2.43 114.93 128.62 2x97 h MET 256 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 2x97 h MET 256 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 2x97 h MET 256 CO 0.95 0.12 0.00 -2.39 -0.00 0.00 0.00 176.91 175.59 2x97 n HIS 257 N -3.31 0.16 1.25 -0.10 1.44 -1.26 -2.20 115.22 111.19 2x97 n HIS 257 Ca -0.00 0.06 0.12 0.00 -2.01 0.00 0.00 57.72 55.89 2x97 n HIS 257 Cb 0.35 -0.60 0.40 0.00 0.12 0.00 0.00 29.99 30.26 2x97 n HIS 257 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2x97 n LEU 258 N -1.64 1.81 -1.23 2.39 4.77 -0.92 -4.30 117.00 117.88 2x97 n LEU 258 Ca 0.04 -0.70 0.11 0.00 -0.03 0.00 0.00 56.01 55.44 2x97 n LEU 258 Cb 0.23 -0.07 0.27 0.00 -2.33 0.00 0.00 43.42 41.51 2x97 n LEU 258 CO 0.18 0.35 0.73 0.18 -1.33 0.00 0.00 177.39 177.50 2x97 n LEU 259 N 0.41 3.69 0.00 2.23 4.77 -0.94 -4.95 117.00 122.22 2x97 n LEU 259 Ca 0.17 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 2x97 n LEU 259 Cb 0.37 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2x97 n LEU 259 CO 0.15 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 2x97 n GLY 260 N 1.53 0.68 3.16 -0.72 0.00 -1.26 -4.44 105.19 104.13 2x97 n GLY 260 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 2x97 n GLY 260 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x97 s ASN 261 N -2.23 -0.28 0.54 1.61 3.84 -1.26 -4.01 114.94 113.15 2x97 s ASN 261 Ca 0.00 0.55 0.22 0.00 0.21 0.00 0.00 52.86 53.84 2x97 s ASN 261 Cb 0.00 0.55 1.48 0.00 -0.55 0.00 0.00 41.25 42.73 2x97 s ASN 261 CO 0.00 -0.10 2.18 -0.03 -2.79 0.00 0.00 177.10 176.36 2x97 h MET 262 N 5.77 0.00 -0.21 0.43 1.85 -1.93 -1.94 114.93 118.90 2x97 h MET 262 Ca -0.26 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.83 2x97 h MET 262 Cb 1.19 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.22 2x97 h MET 262 CO 0.34 0.02 0.00 0.91 -0.40 0.00 0.00 176.91 177.78 2x97 n TRP 263 N -4.21 0.27 -2.87 1.39 8.01 -1.26 -4.97 117.44 113.80 2x97 n TRP 263 Ca -0.03 -0.31 -0.19 0.00 -1.31 0.00 0.00 57.50 55.67 2x97 n TRP 263 Cb 0.10 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 2x97 n TRP 263 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2x97 n ALA 264 N 0.52 -0.91 0.18 6.99 0.00 -0.73 -4.87 120.51 121.69 2x97 n ALA 264 Ca 0.09 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.78 2x97 n ALA 264 Cb 0.36 -2.43 0.11 0.00 0.00 0.00 0.00 19.45 17.49 2x97 n ALA 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2x97 h GLN 265 N -0.60 0.00 -3.15 0.00 3.07 -1.93 -3.45 115.11 109.05 2x97 h GLN 265 Ca -0.40 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.18 2x97 h GLN 265 Cb 1.28 0.00 -0.26 0.00 0.08 0.00 0.00 27.48 28.58 2x97 h GLN 265 CO 0.47 0.00 -0.44 1.14 0.09 0.00 0.00 178.83 180.09 2x97 s GLN 266 N -3.27 0.28 -0.17 0.06 -2.07 -1.26 -3.51 119.66 109.72 2x97 s GLN 266 Ca 0.04 0.34 0.16 0.00 -1.82 0.00 0.00 55.36 54.08 2x97 s GLN 266 Cb 0.07 0.13 0.62 0.00 -1.09 0.00 0.00 33.01 32.73 2x97 s GLN 266 CO 0.71 -0.04 1.53 0.91 -1.32 0.00 0.00 175.29 177.09 2x97 n TRP 267 N 2.99 1.30 0.30 9.60 8.01 0.57 -4.41 117.44 135.80 2x97 n TRP 267 Ca -0.13 -0.76 0.15 0.00 -1.31 0.00 0.00 57.50 55.45 2x97 n TRP 267 Cb 0.58 -0.34 0.51 0.00 -2.01 0.00 0.00 31.31 30.06 2x97 n TRP 267 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2x97 h SER 268 N 2.77 0.00 0.56 -0.99 4.64 -1.83 -2.42 113.55 116.28 2x97 h SER 268 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x97 h SER 268 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 2x97 h SER 268 CO 0.28 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.91 2x97 h GLU 269 N 0.00 0.00 -0.54 4.77 4.39 -1.83 -2.00 114.58 119.38 2x97 h GLU 269 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2x97 h GLU 269 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2x97 h GLU 269 CO 0.00 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.29 2x97 n ILE 270 N -2.32 0.98 -0.08 3.13 -5.35 -0.91 -4.53 119.36 110.28 2x97 n ILE 270 Ca 0.01 -0.99 0.22 0.00 -0.27 0.00 0.00 62.75 61.72 2x97 n ILE 270 Cb 0.18 0.52 0.68 0.00 -1.74 0.00 0.00 39.64 39.28 2x97 n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x97 h ALA 271 N 3.18 2.57 0.00 -1.28 0.00 -1.46 0.16 119.26 122.43 2x97 h ALA 271 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x97 h ALA 271 Cb 0.86 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2x97 h ALA 271 CO 0.00 -0.76 0.00 0.38 0.00 0.00 0.00 179.25 178.87 2x97 h ASP 272 N 0.05 0.00 0.00 0.00 2.03 -1.83 -2.01 116.42 114.66 2x97 h ASP 272 Ca 0.33 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.63 2x97 h ASP 272 Cb 1.23 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2x97 h ASP 272 CO -0.02 0.00 -1.91 2.30 -1.03 0.00 0.00 179.24 178.58 2x97 n ILE 273 N -2.55 0.01 -0.10 4.15 -5.35 0.53 -4.56 119.36 111.49 2x97 n ILE 273 Ca 0.01 -0.46 0.02 0.00 -0.27 0.00 0.00 62.75 62.05 2x97 n ILE 273 Cb 0.24 0.04 0.03 0.00 -1.74 0.00 0.00 39.64 38.21 2x97 n ILE 273 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2x97 n VAL 274 N -2.19 1.07 -2.43 7.28 0.24 -0.95 -4.83 118.33 116.52 2x97 n VAL 274 Ca -0.04 -1.08 -0.40 0.00 -2.04 0.00 0.00 64.34 60.78 2x97 n VAL 274 Cb 0.52 0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 33.30 2x97 n VAL 274 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2x97 s SER 275 N -1.12 7.20 0.36 -1.34 1.04 -0.78 -4.91 113.70 114.15 2x97 s SER 275 Ca 0.06 2.29 0.09 0.00 0.48 0.00 0.00 55.95 58.88 2x97 s SER 275 Cb 0.04 -2.62 0.84 0.00 0.10 0.00 0.00 66.02 64.37 2x97 s SER 275 CO 0.03 -0.21 1.88 -0.65 0.98 0.00 0.00 173.24 175.26 2x97 h PRO 276 N 4.05 0.65 -2.69 4.02 0.11 -1.90 -3.32 132.00 132.91 2x97 h PRO 276 Ca -0.46 -0.04 -0.60 0.00 0.11 0.00 0.00 66.00 65.00 2x97 h PRO 276 Cb 1.21 -0.15 -0.40 0.00 0.11 0.00 0.00 31.00 31.78 2x97 h PRO 276 CO 0.68 0.43 -0.80 -0.06 -0.21 0.00 0.00 178.00 178.04 2x97 s PHE 277 N -5.65 2.12 0.18 0.65 0.08 -1.26 -4.98 117.98 109.12 2x97 s PHE 277 Ca -0.10 -2.72 0.33 0.00 0.12 0.00 0.00 56.93 54.57 2x97 s PHE 277 Cb 0.22 -1.69 1.72 0.00 -0.57 0.00 0.00 43.02 42.70 2x97 s PHE 277 CO 0.79 -0.71 2.02 -1.35 -0.10 0.00 0.00 175.22 175.86 2x97 h PRO 278 N 5.64 0.00 -0.01 0.24 0.11 -1.97 0.37 132.00 136.39 2x97 h PRO 278 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2x97 h PRO 278 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2x97 h PRO 278 CO 0.51 0.00 -0.10 0.39 -0.21 0.00 0.00 178.00 178.59 2x97 n GLU 279 N -2.72 1.28 -4.10 1.05 1.02 -1.26 -4.88 120.64 111.03 2x97 n GLU 279 Ca -0.01 -0.72 -0.22 0.00 -0.02 0.00 0.00 57.16 56.18 2x97 n GLU 279 Cb 0.11 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.99 2x97 n GLU 279 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2x97 s LYS 280 N -2.22 2.75 0.43 3.49 -0.14 0.12 -5.08 119.74 119.09 2x97 s LYS 280 Ca 0.32 -1.19 -0.26 0.00 -1.36 0.00 0.00 55.97 53.49 2x97 s LYS 280 Cb 0.20 -2.45 -0.09 0.00 -1.68 0.00 0.00 37.83 33.81 2x97 s LYS 280 CO 0.41 0.33 1.41 -2.30 -0.76 0.00 0.00 175.35 174.44 2x97 n PRO 281 N -1.16 2.26 -4.27 -1.68 -0.02 -1.26 -4.95 135.00 123.93 2x97 n PRO 281 Ca -0.06 0.80 -0.27 0.00 -2.02 0.00 0.00 63.50 61.95 2x97 n PRO 281 Cb 0.59 -2.58 -0.17 0.00 -0.02 0.00 0.00 33.50 31.31 2x97 n PRO 281 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2x97 s LEU 282 N -2.34 1.53 -0.14 2.45 2.96 -1.26 -4.78 118.68 117.09 2x97 s LEU 282 Ca 0.60 -0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 53.85 2x97 s LEU 282 Cb -0.47 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 2x97 s LEU 282 CO 0.59 -0.03 1.35 -0.69 -1.32 0.00 0.00 176.35 176.24 2x97 s VAL 283 N 1.18 4.13 -0.30 1.68 1.01 -1.26 -4.95 120.40 121.89 2x97 s VAL 283 Ca -0.04 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.32 2x97 s VAL 283 Cb -0.14 -3.89 0.15 0.00 0.00 0.00 0.00 36.38 32.50 2x97 s VAL 283 CO -0.03 -0.12 0.34 -0.62 0.00 0.00 0.00 175.10 174.67 2x97 s ASP 284 N 2.27 1.21 0.00 3.32 3.68 -1.26 -5.05 116.67 120.84 2x97 s ASP 284 Ca 0.59 -0.75 0.22 0.00 2.13 0.00 0.00 52.55 54.74 2x97 s ASP 284 Cb -0.24 0.70 0.53 0.00 -1.45 0.00 0.00 42.92 42.46 2x97 s ASP 284 CO 0.18 -0.36 1.45 1.33 0.13 0.00 0.00 175.17 177.89 2x97 n VAL 285 N 5.19 0.37 -0.16 1.11 0.24 -1.26 -4.36 118.33 119.46 2x97 n VAL 285 Ca 0.00 -0.59 -0.02 0.00 -2.04 0.00 0.00 64.34 61.69 2x97 n VAL 285 Cb 0.47 0.79 0.07 0.00 -1.47 0.00 0.00 33.84 33.70 2x97 n VAL 285 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2x97 h SER 286 N 3.68 -0.11 -0.13 -1.34 0.02 -1.90 0.02 113.55 113.79 2x97 h SER 286 Ca 0.00 0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 2x97 h SER 286 Cb 0.81 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2x97 h SER 286 CO 0.00 -0.03 -0.16 0.00 -1.14 0.00 0.00 176.83 175.50 2x97 h ALA 287 N 1.43 1.17 -0.10 3.77 0.00 -1.91 -1.89 119.26 121.73 2x97 h ALA 287 Ca 0.26 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2x97 h ALA 287 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2x97 h ALA 287 CO -0.38 0.53 -0.53 0.93 0.00 0.00 0.00 179.25 179.80 2x97 h GLU 288 N 0.47 0.27 -0.44 0.00 4.39 -1.57 -1.70 114.58 116.02 2x97 h GLU 288 Ca 0.08 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2x97 h GLU 288 Cb 0.56 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2x97 h GLU 288 CO 0.04 0.74 0.22 0.52 -1.16 0.00 0.00 179.01 179.37 2x97 h MET 289 N 0.21 0.63 -0.37 2.33 2.86 -0.56 0.01 114.93 120.04 2x97 h MET 289 Ca 0.00 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2x97 h MET 289 Cb 1.00 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 2x97 h MET 289 CO 0.08 0.52 0.14 0.93 1.06 0.00 0.00 176.91 179.65 2x97 h GLU 290 N 0.57 0.55 -0.79 1.72 5.08 -1.27 -1.38 114.58 119.07 2x97 h GLU 290 Ca 0.15 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2x97 h GLU 290 Cb 0.10 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2x97 h GLU 290 CO -0.02 0.54 0.52 -0.22 -1.00 0.00 0.00 179.01 178.83 2x97 h LYS 291 N 0.45 1.01 0.00 2.33 3.64 -1.11 -1.14 116.57 121.75 2x97 h LYS 291 Ca 0.12 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2x97 h LYS 291 Cb 0.20 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2x97 h LYS 291 CO -0.01 0.67 0.00 1.04 -2.27 0.00 0.00 179.45 178.88 2x97 n GLN 292 N -4.56 0.72 -1.72 1.90 6.02 -0.03 -4.92 117.38 114.80 2x97 n GLN 292 Ca 0.08 0.01 -0.06 0.00 -0.01 0.00 0.00 57.00 57.02 2x97 n GLN 292 Cb 0.04 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.79 2x97 n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2x97 n GLY 293 N 0.52 0.44 3.56 1.08 0.00 -0.43 -5.01 105.19 105.34 2x97 n GLY 293 Ca 0.17 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2x97 n GLY 293 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x97 n TYR 294 N -3.49 0.57 -4.35 1.61 0.53 -0.57 -5.04 117.16 106.43 2x97 n TYR 294 Ca -0.07 0.54 -0.18 0.00 -1.02 0.00 0.00 57.90 57.17 2x97 n TYR 294 Cb 0.41 -2.14 -0.10 0.00 -1.03 0.00 0.00 39.34 36.48 2x97 n TYR 294 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2x97 s THR 295 N -1.39 1.22 0.19 -0.72 -4.23 -1.26 -4.87 115.64 104.58 2x97 s THR 295 Ca 0.65 -2.06 -0.15 0.00 -1.18 0.00 0.00 61.69 58.96 2x97 s THR 295 Cb -0.54 -2.33 0.16 0.00 1.34 0.00 0.00 72.50 71.13 2x97 s THR 295 CO 0.56 -0.35 1.66 -0.65 -0.54 0.00 0.00 174.62 175.29 2x97 h PRO 296 N 2.44 0.03 -0.34 3.99 0.11 -1.89 -1.73 132.00 134.62 2x97 h PRO 296 Ca -0.39 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.79 2x97 h PRO 296 Cb 1.22 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 2x97 h PRO 296 CO 0.65 0.02 -0.04 1.25 -0.21 0.00 0.00 178.00 179.67 2x97 h LEU 297 N 0.03 -0.23 -0.83 2.35 5.85 -1.97 -1.57 115.31 118.94 2x97 h LEU 297 Ca 0.25 0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.10 2x97 h LEU 297 Cb 0.39 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2x97 h LEU 297 CO -0.50 -0.08 0.53 0.50 -0.34 0.00 0.00 178.44 178.55 2x97 h LYS 298 N 0.04 0.98 -0.45 1.25 1.63 -1.85 -0.02 116.57 118.16 2x97 h LYS 298 Ca 0.16 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2x97 h LYS 298 Cb 0.24 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 2x97 h LYS 298 CO -0.31 0.65 0.25 0.52 -3.45 0.00 0.00 179.45 177.10 2x97 h MET 299 N 1.01 0.63 -0.67 1.90 2.86 -0.50 0.17 114.93 120.32 2x97 h MET 299 Ca 0.34 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 2x97 h MET 299 Cb 0.05 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 2x97 h MET 299 CO -0.13 0.50 0.28 0.74 1.06 0.00 0.00 176.91 179.36 2x97 h PHE 300 N 0.59 1.01 -0.29 -0.22 0.04 -1.08 -0.62 116.94 116.37 2x97 h PHE 300 Ca 0.16 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 2x97 h PHE 300 Cb 0.05 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 2x97 h PHE 300 CO -0.02 0.78 0.18 1.96 -0.60 0.00 0.00 178.31 180.61 2x97 h GLN 301 N 0.95 0.39 0.04 1.51 4.20 -0.77 -0.27 115.11 121.15 2x97 h GLN 301 Ca 0.23 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 2x97 h GLN 301 Cb 0.19 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2x97 h GLN 301 CO -0.02 0.28 -0.02 0.52 -0.67 0.00 0.00 178.83 178.92 2x97 h MET 302 N 0.40 -0.05 -0.76 1.46 2.86 -0.06 -0.51 114.93 118.27 2x97 h MET 302 Ca 0.11 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2x97 h MET 302 Cb -0.02 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 2x97 h MET 302 CO -0.02 0.13 0.47 0.78 1.06 0.00 0.00 176.91 179.33 2x97 h GLY 303 N -0.23 1.12 0.86 8.32 0.00 -0.40 -1.20 103.07 111.55 2x97 h GLY 303 Ca -0.01 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.00 2x97 h GLY 303 CO 0.01 0.27 0.18 -1.80 0.00 0.00 0.00 176.54 175.20 2x97 h ASP 304 N 0.90 0.28 -0.77 0.19 3.58 -0.89 -1.84 116.42 117.87 2x97 h ASP 304 Ca 0.32 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.87 2x97 h ASP 304 Cb 0.09 -0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.02 2x97 h ASP 304 CO -0.14 0.21 0.43 -0.78 -2.88 0.00 0.00 179.24 176.07 2x97 h ASP 305 N 0.38 0.60 -0.20 2.28 3.58 -0.45 -0.66 116.42 121.95 2x97 h ASP 305 Ca 0.14 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2x97 h ASP 305 Cb 0.04 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2x97 h ASP 305 CO -0.09 0.35 0.07 0.15 -2.88 0.00 0.00 179.24 176.85 2x97 h PHE 306 N 0.73 0.31 -0.39 0.28 3.57 -0.45 0.14 116.94 121.14 2x97 h PHE 306 Ca 0.37 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 2x97 h PHE 306 Cb 0.33 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2x97 h PHE 306 CO -0.08 0.37 0.15 0.74 -2.23 0.00 0.00 178.31 177.26 2x97 h PHE 307 N 0.17 0.61 0.00 0.41 0.04 -0.82 -2.65 116.94 114.69 2x97 h PHE 307 Ca 0.07 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2x97 h PHE 307 Cb 0.20 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 2x97 h PHE 307 CO -0.01 0.55 -0.09 1.79 -0.60 0.00 0.00 178.31 179.96 2x97 h THR 308 N 0.49 0.99 0.00 -1.55 1.35 -1.02 -1.16 112.91 112.01 2x97 h THR 308 Ca 0.13 -0.31 -0.02 0.00 -0.55 0.00 0.00 66.41 65.66 2x97 h THR 308 Cb 0.21 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2x97 h THR 308 CO -0.01 0.09 -0.09 0.77 -0.25 0.00 0.00 175.52 176.03 2x97 h SER 309 N 0.00 0.00 -0.59 5.36 4.64 -0.35 -0.17 113.55 122.44 2x97 h SER 309 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x97 h SER 309 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2x97 h SER 309 CO 0.01 0.09 0.00 0.23 -0.87 0.00 0.00 176.83 176.29 2x97 n MET 310 N -3.57 2.84 -1.95 4.77 2.00 -0.49 -3.57 117.12 117.15 2x97 n MET 310 Ca -0.02 -2.33 -0.09 0.00 0.00 0.00 0.00 57.70 55.26 2x97 n MET 310 Cb 0.22 -1.63 -0.01 0.00 0.00 0.00 0.00 33.22 31.80 2x97 n MET 310 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2x97 n ASN 311 N 1.15 -3.41 -3.81 7.83 5.15 -0.08 -3.84 115.26 118.25 2x97 n ASN 311 Ca 0.21 0.05 -0.13 0.00 -0.60 0.00 0.00 54.58 54.12 2x97 n ASN 311 Cb 0.64 -2.45 0.04 0.00 -0.53 0.00 0.00 39.78 37.47 2x97 n ASN 311 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2x97 n LEU 312 N -1.26 0.00 -4.73 1.20 4.77 -0.91 -4.95 117.00 111.13 2x97 n LEU 312 Ca -0.11 -1.59 -0.40 0.00 -0.03 0.00 0.00 56.01 53.89 2x97 n LEU 312 Cb 0.51 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 2x97 n LEU 312 CO 0.13 -0.61 0.43 -0.89 -1.33 0.00 0.00 177.39 175.12 2x97 s THR 313 N -1.30 4.92 0.49 -5.08 2.01 -1.26 -4.19 115.64 111.22 2x97 s THR 313 Ca 0.35 1.52 -0.22 0.00 0.31 0.00 0.00 61.69 63.65 2x97 s THR 313 Cb -0.03 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 2x97 s THR 313 CO 0.22 0.30 1.20 -1.59 -0.69 0.00 0.00 174.62 174.06 2x97 s LYS 314 N 0.43 3.59 0.33 4.92 -2.85 -1.26 -4.74 119.74 120.15 2x97 s LYS 314 Ca 0.38 1.85 -0.29 0.00 -1.00 0.00 0.00 55.97 56.91 2x97 s LYS 314 Cb -0.19 -2.34 -0.11 0.00 -2.06 0.00 0.00 37.83 33.14 2x97 s LYS 314 CO 0.20 -0.71 1.51 -0.51 0.10 0.00 0.00 175.35 175.94 2x97 s LEU 315 N -3.21 4.34 0.70 2.77 1.43 -1.26 -4.98 118.68 118.48 2x97 s LEU 315 Ca 0.66 2.94 -0.08 0.00 -1.03 0.00 0.00 54.13 56.63 2x97 s LEU 315 Cb -0.31 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.31 2x97 s LEU 315 CO 0.37 -0.84 1.02 -2.16 0.23 0.00 0.00 176.35 174.96 2x97 s PRO 316 N -1.26 2.36 0.40 1.29 0.04 -1.26 -4.97 135.00 131.61 2x97 s PRO 316 Ca 0.57 -0.09 0.08 0.00 0.04 0.00 0.00 61.00 61.60 2x97 s PRO 316 Cb -0.46 -2.14 0.83 0.00 0.04 0.00 0.00 34.50 32.77 2x97 s PRO 316 CO 0.54 -1.17 2.02 1.96 0.04 0.00 0.00 177.00 180.39 2x97 h GLN 317 N -0.59 0.46 -0.10 4.56 1.08 -1.93 -1.16 115.11 117.43 2x97 h GLN 317 Ca -0.45 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 56.67 2x97 h GLN 317 Cb 1.30 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2x97 h GLN 317 CO 0.62 0.37 -0.09 -0.44 -0.95 0.00 0.00 178.83 178.33 2x97 h ASP 318 N 0.47 0.13 0.22 1.46 3.32 -1.91 0.13 116.42 120.24 2x97 h ASP 318 Ca 0.12 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2x97 h ASP 318 Cb 0.07 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2x97 h ASP 318 CO -0.02 0.25 -0.11 0.15 -1.72 0.00 0.00 179.24 177.80 2x97 h PHE 319 N 0.14 -0.28 -0.73 4.55 3.57 -1.27 0.70 116.94 123.63 2x97 h PHE 319 Ca 0.03 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 2x97 h PHE 319 Cb 0.26 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2x97 h PHE 319 CO 0.00 -0.18 0.23 -1.49 -2.23 0.00 0.00 178.31 174.64 2x97 h TRP 320 N -0.30 1.17 -0.52 0.41 4.06 -1.48 0.46 115.95 119.75 2x97 h TRP 320 Ca -0.03 -0.12 -0.08 0.00 2.06 0.00 0.00 58.89 60.73 2x97 h TRP 320 Cb 0.23 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 2x97 h TRP 320 CO -0.07 0.93 0.02 -0.44 -3.56 0.00 0.00 178.44 175.32 2x97 h ASP 321 N 1.08 0.84 -0.00 -3.49 3.32 -0.83 -3.36 116.42 113.97 2x97 h ASP 321 Ca 0.24 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2x97 h ASP 321 Cb 0.31 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2x97 h ASP 321 CO -0.01 0.89 -0.12 0.29 -1.72 0.00 0.00 179.24 178.58 2x97 n LYS 322 N -4.21 4.55 -1.77 3.56 5.02 0.23 -5.03 118.16 120.51 2x97 n LYS 322 Ca 0.03 -0.15 -0.35 0.00 -2.02 0.00 0.00 58.31 55.81 2x97 n LYS 322 Cb 0.30 -0.74 0.06 0.00 -0.02 0.00 0.00 35.03 34.63 2x97 n LYS 322 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2x97 s SER 323 N -1.09 4.81 -0.25 4.39 0.01 0.13 -4.91 113.70 116.78 2x97 s SER 323 Ca 0.02 2.34 -0.03 0.00 1.31 0.00 0.00 55.95 59.59 2x97 s SER 323 Cb 0.03 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2x97 s SER 323 CO 0.11 -1.85 -0.02 -0.63 0.41 0.00 0.00 173.24 171.26 2x97 s ILE 324 N -1.81 3.23 -0.03 1.44 1.01 -0.18 -4.98 121.20 119.89 2x97 s ILE 324 Ca 0.75 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 60.56 2x97 s ILE 324 Cb -0.29 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.57 2x97 s ILE 324 CO 0.39 0.21 0.85 2.30 0.00 0.00 0.00 174.94 178.69 2x97 n ILE 325 N 4.74 0.69 -3.92 2.92 -5.35 -1.25 -0.25 119.36 116.93 2x97 n ILE 325 Ca -0.16 -0.84 -0.09 0.00 -0.27 0.00 0.00 62.75 61.39 2x97 n ILE 325 Cb 0.48 0.66 -0.08 0.00 -1.74 0.00 0.00 39.64 38.95 2x97 n ILE 325 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2x97 s GLU 326 N -0.70 0.71 0.13 6.28 2.02 -1.10 -3.04 118.70 123.00 2x97 s GLU 326 Ca 0.01 -0.93 -0.31 0.00 0.02 0.00 0.00 54.97 53.76 2x97 s GLU 326 Cb 0.00 0.28 -0.08 0.00 0.10 0.00 0.00 34.13 34.44 2x97 s GLU 326 CO 0.00 -0.20 1.32 0.21 0.02 0.00 0.00 175.26 176.62 2x97 s LYS 327 N -3.44 4.37 0.57 1.61 2.20 -1.26 -4.81 119.74 118.98 2x97 s LYS 327 Ca 0.02 2.00 -0.18 0.00 -0.36 0.00 0.00 55.97 57.45 2x97 s LYS 327 Cb 0.03 -3.26 -0.08 0.00 -1.51 0.00 0.00 37.83 33.02 2x97 s LYS 327 CO -0.09 -0.34 0.64 -2.30 -0.36 0.00 0.00 175.35 172.90 2x97 n PRO 328 N 3.59 0.61 0.04 4.03 -0.02 -1.26 -4.94 135.00 137.04 2x97 n PRO 328 Ca 0.09 0.24 -0.22 0.00 -2.02 0.00 0.00 63.50 61.60 2x97 n PRO 328 Cb 0.43 -1.82 -0.14 0.00 -0.02 0.00 0.00 33.50 31.95 2x97 n PRO 328 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2x97 h THR 329 N 0.32 1.14 -2.39 3.45 2.02 -1.98 -3.47 112.91 112.00 2x97 h THR 329 Ca -0.46 -2.48 -0.44 0.00 0.77 0.00 0.00 66.41 63.80 2x97 h THR 329 Cb 1.39 2.86 0.23 0.00 -1.74 0.00 0.00 68.15 70.89 2x97 h THR 329 CO 0.48 0.74 -0.90 -0.90 0.37 0.00 0.00 175.52 175.31 2x97 n ASP 330 N -3.90 -2.38 -3.32 4.18 5.68 -1.26 -4.86 116.55 110.69 2x97 n ASP 330 Ca -0.22 -0.18 -0.38 0.00 -0.50 0.00 0.00 54.79 53.51 2x97 n ASP 330 Cb 0.93 -0.98 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 2x97 n ASP 330 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2x97 n GLY 331 N 1.93 5.43 3.61 6.12 0.00 -1.26 -4.96 105.19 116.06 2x97 n GLY 331 Ca 0.01 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 43.47 2x97 n GLY 331 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2x97 s ARG 332 N -2.63 2.47 0.44 1.61 1.70 -1.26 -5.12 118.95 116.16 2x97 s ARG 332 Ca 0.50 -0.80 -0.16 0.00 -0.47 0.00 0.00 55.73 54.80 2x97 s ARG 332 Cb 0.25 -2.47 -0.09 0.00 -0.57 0.00 0.00 34.95 32.07 2x97 s ARG 332 CO -0.16 0.57 0.89 -0.51 -1.08 0.00 0.00 175.30 175.02 2x97 s ASP 333 N -1.71 6.71 -0.00 -2.89 -0.00 -1.26 -4.98 116.67 112.54 2x97 s ASP 333 Ca 0.19 1.47 -0.28 0.00 -0.00 0.00 0.00 52.55 53.93 2x97 s ASP 333 Cb -0.11 -2.46 0.10 0.00 -0.00 0.00 0.00 42.92 40.45 2x97 s ASP 333 CO 0.10 -0.43 1.27 -1.48 -0.00 0.00 0.00 175.17 174.63 2x97 s LEU 334 N -3.62 -0.01 -0.38 1.23 2.34 -1.26 -0.77 118.68 116.21 2x97 s LEU 334 Ca 0.57 -0.22 -0.15 0.00 0.06 0.00 0.00 54.13 54.39 2x97 s LEU 334 Cb -0.10 1.39 0.01 0.00 -0.56 0.00 0.00 46.19 46.93 2x97 s LEU 334 CO 0.24 -0.35 0.33 -0.69 -1.06 0.00 0.00 176.35 174.82 2x97 s VAL 335 N -2.14 5.21 -0.67 1.48 1.01 -0.20 -4.77 120.40 120.33 2x97 s VAL 335 Ca 0.25 -0.35 0.25 0.00 0.00 0.00 0.00 61.98 62.12 2x97 s VAL 335 Cb 0.01 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.62 2x97 s VAL 335 CO -0.01 -0.22 1.44 0.00 0.00 0.00 0.00 175.10 176.31 2x97 n HIS 337 N -2.15 2.32 -2.00 0.00 -0.00 -1.26 -4.25 115.22 107.88 2x97 n HIS 337 Ca 0.04 0.22 -0.38 0.00 -0.00 0.00 0.00 57.72 57.59 2x97 n HIS 337 Cb 0.44 -2.57 0.01 0.00 -0.00 0.00 0.00 29.99 27.87 2x97 n HIS 337 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2x97 s ALA 338 N 1.26 2.99 0.08 1.57 0.00 -1.26 -4.96 121.76 121.44 2x97 s ALA 338 Ca 0.80 1.18 -0.17 0.00 0.00 0.00 0.00 51.96 53.78 2x97 s ALA 338 Cb -0.66 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.00 2x97 s ALA 338 CO 0.39 -1.00 0.39 -1.54 0.00 0.00 0.00 175.76 174.00 2x97 s SER 339 N -1.02 -0.24 -0.01 0.00 1.04 -0.87 -5.03 113.70 107.57 2x97 s SER 339 Ca 0.65 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.94 2x97 s SER 339 Cb -0.36 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 2x97 s SER 339 CO 0.44 -0.75 -0.08 0.00 0.98 0.00 0.00 173.24 173.84 2x97 s ALA 340 N -3.10 0.64 -0.05 5.32 0.00 -1.26 -1.65 121.76 121.66 2x97 s ALA 340 Ca -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 2x97 s ALA 340 Cb 0.01 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2x97 s ALA 340 CO -0.07 0.15 0.01 -1.58 0.00 0.00 0.00 175.76 174.28 2x97 s TRP 341 N -0.14 0.44 -0.22 0.00 0.52 0.58 -5.01 118.94 115.10 2x97 s TRP 341 Ca 0.02 -0.02 -0.09 0.00 0.02 0.00 0.00 56.10 56.03 2x97 s TRP 341 Cb -0.03 -0.63 -0.04 0.00 -1.15 0.00 0.00 33.47 31.62 2x97 s TRP 341 CO -0.00 -0.24 0.10 0.34 0.02 0.00 0.00 176.95 177.17 2x97 s ASP 342 N 1.75 5.69 0.00 2.95 3.68 -1.26 -1.22 116.67 128.26 2x97 s ASP 342 Ca 0.01 0.01 0.24 0.00 2.13 0.00 0.00 52.55 54.94 2x97 s ASP 342 Cb -0.13 -2.01 0.43 0.00 -1.45 0.00 0.00 42.92 39.77 2x97 s ASP 342 CO -0.04 0.07 1.40 0.49 0.13 0.00 0.00 175.17 177.22 2x97 n PHE 343 N 4.22 0.25 -1.71 -5.34 3.72 -0.68 -4.97 117.46 112.96 2x97 n PHE 343 Ca -0.16 -0.13 -0.11 0.00 -0.05 0.00 0.00 57.45 57.01 2x97 n PHE 343 Cb 0.52 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.03 2x97 n PHE 343 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2x97 n TYR 344 N 1.20 -0.23 0.00 1.38 4.02 -1.26 -4.16 117.16 118.11 2x97 n TYR 344 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 2x97 n TYR 344 Cb 0.55 -2.29 0.00 0.00 -0.02 0.00 0.00 39.34 37.58 2x97 n TYR 344 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2x97 n LEU 345 N -1.40 0.00 -4.18 7.72 4.77 -1.26 -4.69 117.00 117.96 2x97 n LEU 345 Ca -0.12 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.53 2x97 n LEU 345 Cb 0.47 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.40 2x97 n LEU 345 CO 0.16 0.00 -0.51 -0.89 -1.33 0.00 0.00 177.39 174.82 2x97 s THR 346 N 4.40 2.30 -0.45 -5.08 2.01 -1.26 -4.76 115.64 112.80 2x97 s THR 346 Ca 0.00 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.12 2x97 s THR 346 Cb 0.00 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.55 2x97 s THR 346 CO 0.00 0.53 0.00 0.47 -0.69 0.00 0.00 174.62 174.93 2x97 n ASP 347 N 4.35 -4.96 -4.35 3.53 10.43 -1.26 -4.92 116.55 119.37 2x97 n ASP 347 Ca -0.20 0.10 -0.46 0.00 2.57 0.00 0.00 54.79 56.80 2x97 n ASP 347 Cb 0.51 -2.84 -0.02 0.00 1.84 0.00 0.00 41.12 40.61 2x97 n ASP 347 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2x97 s ASP 348 N -2.25 6.72 0.04 -2.24 -1.08 -1.26 -4.48 116.67 112.11 2x97 s ASP 348 Ca 0.00 -2.55 0.04 0.00 -0.52 0.00 0.00 52.55 49.51 2x97 s ASP 348 Cb 0.00 -2.24 -0.02 0.00 -1.46 0.00 0.00 42.92 39.20 2x97 s ASP 348 CO 0.00 -0.66 -0.11 0.68 0.52 0.00 0.00 175.17 175.60 2x97 s VAL 349 N 0.62 0.83 0.15 1.11 -7.23 -1.26 -1.68 120.40 112.94 2x97 s VAL 349 Ca 0.20 -0.93 -0.16 0.00 -1.81 0.00 0.00 61.98 59.29 2x97 s VAL 349 Cb -0.10 -0.79 0.03 0.00 0.56 0.00 0.00 36.38 36.08 2x97 s VAL 349 CO -0.09 -0.11 0.42 -0.13 -0.31 0.00 0.00 175.10 174.88 2x97 s ARG 350 N -1.16 1.17 0.02 4.82 0.52 -0.36 -3.63 118.95 120.33 2x97 s ARG 350 Ca -0.02 -0.82 0.07 0.00 -0.52 0.00 0.00 55.73 54.45 2x97 s ARG 350 Cb -0.08 0.47 -0.02 0.00 0.52 0.00 0.00 34.95 35.84 2x97 s ARG 350 CO 0.01 -0.47 -0.22 0.42 0.02 0.00 0.00 175.30 175.06 2x97 s ILE 351 N -3.85 1.74 -0.23 1.52 1.01 -1.26 -0.31 121.20 119.82 2x97 s ILE 351 Ca 0.07 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.60 2x97 s ILE 351 Cb 0.01 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 41.03 2x97 s ILE 351 CO -0.08 0.33 -0.11 -0.75 0.00 0.00 0.00 174.94 174.33 2x97 s LYS 352 N -0.94 2.75 -0.07 2.79 2.20 -0.66 -1.00 119.74 124.81 2x97 s LYS 352 Ca 0.08 -1.01 -0.05 0.00 -0.36 0.00 0.00 55.97 54.63 2x97 s LYS 352 Cb -0.09 -2.85 0.02 0.00 -1.51 0.00 0.00 37.83 33.41 2x97 s LYS 352 CO 0.01 -0.38 0.17 -1.14 -0.36 0.00 0.00 175.35 173.65 2x97 s GLN 353 N 1.27 0.17 -1.46 4.03 0.74 0.66 -2.05 119.66 123.02 2x97 s GLN 353 Ca -0.00 0.29 -0.09 0.00 0.05 0.00 0.00 55.36 55.61 2x97 s GLN 353 Cb -0.16 0.01 0.03 0.00 1.10 0.00 0.00 33.01 33.99 2x97 s GLN 353 CO -0.07 -0.07 2.52 0.00 -0.55 0.00 0.00 175.29 177.12 2x97 n THR 355 N 3.21 0.05 -4.45 0.00 -1.04 -1.17 -4.72 114.28 106.16 2x97 n THR 355 Ca 0.64 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.05 62.37 2x97 n THR 355 Cb 0.28 -0.84 -0.13 0.00 -1.82 0.00 0.00 70.33 67.82 2x97 n THR 355 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2x97 s ARG 356 N 0.98 1.35 -1.09 -2.82 0.52 -1.26 -4.74 118.95 111.89 2x97 s ARG 356 Ca 0.87 -1.20 -0.18 0.00 -0.52 0.00 0.00 55.73 54.70 2x97 s ARG 356 Cb -1.00 -1.68 0.12 0.00 0.52 0.00 0.00 34.95 32.91 2x97 s ARG 356 CO 0.51 0.40 1.39 0.08 0.02 0.00 0.00 175.30 177.70 2x97 s VAL 357 N -1.03 4.55 0.13 3.52 1.01 -1.26 -4.68 120.40 122.64 2x97 s VAL 357 Ca 0.10 -1.78 -0.07 0.00 0.00 0.00 0.00 61.98 60.24 2x97 s VAL 357 Cb -0.10 -4.95 -0.02 0.00 0.00 0.00 0.00 36.38 31.32 2x97 s VAL 357 CO 0.04 -1.72 0.19 0.42 0.00 0.00 0.00 175.10 174.04 2x97 s THR 358 N 3.09 0.10 0.09 3.92 -4.23 -1.26 -4.75 115.64 112.60 2x97 s THR 358 Ca 0.42 -1.48 -0.22 0.00 -1.18 0.00 0.00 61.69 59.23 2x97 s THR 358 Cb -0.02 -1.75 -0.13 0.00 1.34 0.00 0.00 72.50 71.94 2x97 s THR 358 CO -0.04 -0.46 1.71 -0.61 -0.54 0.00 0.00 174.62 174.69 2x97 h GLN 359 N 2.70 0.08 -0.95 3.99 4.15 -1.90 -1.93 115.11 121.24 2x97 h GLN 359 Ca -0.33 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.08 2x97 h GLN 359 Cb 1.21 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.84 2x97 h GLN 359 CO 0.53 0.09 0.58 0.22 -1.93 0.00 0.00 178.83 178.33 2x97 h ASP 360 N 0.04 1.13 -0.21 -0.69 3.58 -1.97 -1.43 116.42 116.87 2x97 h ASP 360 Ca 0.02 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2x97 h ASP 360 Cb 0.03 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 2x97 h ASP 360 CO -0.00 0.86 0.10 1.56 -2.88 0.00 0.00 179.24 178.88 2x97 h GLN 361 N 1.31 0.36 -0.72 0.28 1.08 -1.79 -0.62 115.11 115.01 2x97 h GLN 361 Ca 0.34 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.46 2x97 h GLN 361 Cb -0.07 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 2x97 h GLN 361 CO -0.07 0.31 0.28 1.25 -0.95 0.00 0.00 178.83 179.65 2x97 h LEU 362 N 0.37 1.00 -0.39 1.46 5.85 -0.47 0.28 115.31 123.40 2x97 h LEU 362 Ca 0.09 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2x97 h LEU 362 Cb 0.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2x97 h LEU 362 CO -0.01 0.91 0.10 -0.26 -0.34 0.00 0.00 178.44 178.84 2x97 h PHE 363 N 1.03 0.66 -0.80 1.25 0.04 -0.98 -2.74 116.94 115.41 2x97 h PHE 363 Ca 0.24 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.96 2x97 h PHE 363 Cb 0.23 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.15 2x97 h PHE 363 CO 0.02 0.64 0.52 1.15 -0.60 0.00 0.00 178.31 180.04 2x97 h THR 364 N 0.49 1.13 -0.75 -1.55 2.02 -0.74 -0.58 112.91 112.94 2x97 h THR 364 Ca 0.12 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 2x97 h THR 364 Cb 0.31 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 2x97 h THR 364 CO 0.00 0.18 0.46 0.58 0.37 0.00 0.00 175.52 177.11 2x97 h VAL 365 N 0.98 1.21 -0.12 3.16 2.07 -0.93 -1.19 116.25 121.43 2x97 h VAL 365 Ca 0.32 -0.44 -0.19 0.00 0.82 0.00 0.00 66.70 67.21 2x97 h VAL 365 Cb 0.04 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2x97 h VAL 365 CO -0.09 0.21 -0.69 0.45 0.02 0.00 0.00 177.57 177.47 2x97 h HIS 366 N 1.02 0.69 -0.05 1.57 -0.00 -0.99 -0.76 115.15 116.64 2x97 h HIS 366 Ca 0.27 -0.29 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 2x97 h HIS 366 Cb -0.05 -0.11 -0.06 0.00 -0.00 0.00 0.00 27.41 27.19 2x97 h HIS 366 CO -0.01 1.06 -0.35 1.25 -0.00 0.00 0.00 177.93 179.87 2x97 h HIS 367 N 0.37 -0.99 -0.81 2.45 6.17 -0.88 0.08 115.15 121.54 2x97 h HIS 367 Ca -0.03 0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.05 2x97 h HIS 367 Cb 1.27 0.44 -0.04 0.00 2.52 0.00 0.00 27.41 31.61 2x97 h HIS 367 CO 0.05 -0.44 0.36 0.93 0.71 0.00 0.00 177.93 179.55 2x97 h GLU 368 N -0.48 1.18 0.00 5.26 4.39 -1.10 -2.13 114.58 121.71 2x97 h GLU 368 Ca 0.07 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 2x97 h GLU 368 Cb 0.59 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2x97 h GLU 368 CO -0.32 0.93 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.18 2x97 h LEU 369 N 1.17 0.00 -0.79 1.33 3.38 -0.85 -2.16 115.31 117.39 2x97 h LEU 369 Ca 0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 2x97 h LEU 369 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2x97 h LEU 369 CO -0.03 0.21 0.10 1.23 0.09 0.00 0.00 178.44 180.04 2x97 h GLY 370 N 1.34 1.09 0.93 0.83 0.00 -0.28 0.11 103.07 107.09 2x97 h GLY 370 Ca -0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 2x97 h GLY 370 CO 0.03 0.66 0.06 0.45 0.00 0.00 0.00 176.54 177.74 2x97 h HIS 371 N 0.96 0.16 -0.55 5.60 3.86 -1.33 -2.47 115.15 121.38 2x97 h HIS 371 Ca 0.19 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.43 2x97 h HIS 371 Cb 0.41 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.79 2x97 h HIS 371 CO 0.03 0.18 0.32 0.82 0.86 0.00 0.00 177.93 180.14 2x97 h ILE 372 N 0.09 1.03 -0.63 2.45 1.08 -1.20 -0.90 117.51 119.44 2x97 h ILE 372 Ca 0.04 -0.22 0.08 0.00 -0.39 0.00 0.00 64.86 64.37 2x97 h ILE 372 Cb 0.08 0.35 -0.06 0.00 -3.07 0.00 0.00 36.82 34.12 2x97 h ILE 372 CO -0.01 0.11 0.29 -0.61 -0.69 0.00 0.00 178.15 177.25 2x97 h GLN 373 N 0.63 0.50 -0.52 2.37 5.75 -0.72 -1.73 115.11 121.39 2x97 h GLN 373 Ca 0.23 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.62 2x97 h GLN 373 Cb 0.05 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2x97 h GLN 373 CO -0.11 0.33 0.02 -0.92 -2.65 0.00 0.00 178.83 175.50 2x97 h TYR 374 N 0.52 0.92 -0.69 3.99 -0.00 -0.84 0.15 116.97 121.01 2x97 h TYR 374 Ca 0.30 -0.13 0.08 0.00 -0.00 0.00 0.00 58.73 58.98 2x97 h TYR 374 Cb 0.30 -0.25 -0.06 0.00 -0.00 0.00 0.00 36.73 36.72 2x97 h TYR 374 CO -0.13 0.82 0.36 0.74 -0.00 0.00 0.00 178.16 179.96 2x97 h PHE 375 N 0.80 0.65 -0.04 -3.82 0.04 -0.50 -1.82 116.94 112.25 2x97 h PHE 375 Ca 0.16 0.03 -0.22 0.00 2.80 0.00 0.00 57.97 60.74 2x97 h PHE 375 Cb 0.45 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2x97 h PHE 375 CO 0.03 0.26 -0.87 -0.07 -0.60 0.00 0.00 178.31 177.06 2x97 h LEU 376 N 0.63 0.60 -0.89 1.54 3.38 -0.88 -2.31 115.31 117.38 2x97 h LEU 376 Ca 0.33 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2x97 h LEU 376 Cb 0.30 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2x97 h LEU 376 CO -0.23 1.23 0.12 1.56 0.09 0.00 0.00 178.44 181.20 2x97 h GLN 377 N 0.29 0.93 -0.60 1.13 1.08 -0.22 -3.19 115.11 114.54 2x97 h GLN 377 Ca -0.07 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2x97 h GLN 377 Cb 1.49 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 2x97 h GLN 377 CO 0.16 0.85 0.00 2.48 -0.95 0.00 0.00 178.83 181.37 2x97 n TYR 378 N -4.24 0.79 0.33 2.96 0.18 -0.73 -4.28 117.16 112.18 2x97 n TYR 378 Ca 0.04 -0.46 0.07 0.00 1.88 0.00 0.00 57.90 59.43 2x97 n TYR 378 Cb 0.25 -0.01 0.31 0.00 -0.38 0.00 0.00 39.34 39.52 2x97 n TYR 378 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2x97 n GLN 379 N 1.38 0.06 0.00 -3.48 10.64 -0.87 -1.04 117.38 124.08 2x97 n GLN 379 Ca 0.21 0.38 0.12 0.00 -1.83 0.00 0.00 57.00 55.88 2x97 n GLN 379 Cb 0.58 -1.63 0.17 0.00 -0.86 0.00 0.00 30.24 28.49 2x97 n GLN 379 CO 0.00 0.00 0.00 -2.39 -1.83 0.00 0.00 177.06 172.84 2x97 n HIS 380 N -1.75 0.04 -1.52 2.61 1.44 -1.26 -4.92 115.22 109.87 2x97 n HIS 380 Ca 0.02 0.01 -0.32 0.00 -2.01 0.00 0.00 57.72 55.42 2x97 n HIS 380 Cb 0.13 -0.24 0.07 0.00 0.12 0.00 0.00 29.99 30.07 2x97 n HIS 380 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2x97 s GLN 381 N -3.02 2.51 0.79 -1.40 -1.52 -0.20 -5.01 119.66 111.80 2x97 s GLN 381 Ca 0.10 1.32 -0.14 0.00 -1.95 0.00 0.00 55.36 54.68 2x97 s GLN 381 Cb 0.17 -1.92 0.06 0.00 -0.22 0.00 0.00 33.01 31.10 2x97 s GLN 381 CO 0.74 -1.47 1.08 -2.30 -0.25 0.00 0.00 175.29 173.09 2x97 n PRO 382 N -2.92 0.26 -0.28 2.91 -0.01 -1.26 -4.75 135.00 128.96 2x97 n PRO 382 Ca 0.10 0.16 0.05 0.00 -0.01 0.00 0.00 63.50 63.80 2x97 n PRO 382 Cb 0.52 -2.34 0.19 0.00 -0.01 0.00 0.00 33.50 31.87 2x97 n PRO 382 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 175.50 175.84 2x97 h PHE 383 N -0.73 0.71 0.00 6.00 3.57 -1.96 0.35 116.94 124.89 2x97 h PHE 383 Ca -0.46 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 2x97 h PHE 383 Cb 1.31 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 2x97 h PHE 383 CO 0.44 0.20 -0.05 -0.39 -2.23 0.00 0.00 178.31 176.28 2x97 h VAL 384 N 0.61 0.57 -0.02 1.41 -1.51 -1.90 -1.68 116.25 113.74 2x97 h VAL 384 Ca 0.42 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 2x97 h VAL 384 Cb 0.54 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 2x97 h VAL 384 CO -0.33 0.05 -0.02 -1.22 -1.23 0.00 0.00 177.57 174.82 2x97 n TYR 385 N -3.81 0.00 -2.10 5.19 4.01 0.10 -4.66 117.16 115.90 2x97 n TYR 385 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 2x97 n TYR 385 Cb 0.14 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2x97 n TYR 385 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2x97 n ARG 386 N 0.39 3.51 -3.83 -0.72 1.74 -0.63 -1.11 116.66 116.01 2x97 n ARG 386 Ca 0.17 -3.22 -0.06 0.00 -0.77 0.00 0.00 57.85 53.98 2x97 n ARG 386 Cb 0.41 -2.99 -0.01 0.00 -1.02 0.00 0.00 32.46 28.85 2x97 n ARG 386 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2x97 s THR 387 N 1.06 0.00 0.69 0.55 -1.32 -1.26 -5.00 115.64 110.35 2x97 s THR 387 Ca 0.44 -0.91 -0.14 0.00 -1.21 0.00 0.00 61.69 59.88 2x97 s THR 387 Cb 0.12 -2.20 0.02 0.00 -1.51 0.00 0.00 72.50 68.93 2x97 s THR 387 CO -0.03 0.00 1.11 -0.83 -2.21 0.00 0.00 174.62 172.66 2x97 s GLY 388 N -2.98 2.04 0.28 6.08 0.00 -1.26 -2.68 107.32 108.81 2x97 s GLY 388 Ca 0.13 0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.37 2x97 s GLY 388 CO 0.07 0.85 1.77 0.00 0.00 0.00 0.00 173.10 175.79 2x97 h ALA 389 N -0.28 1.49 -2.66 3.20 0.00 -1.90 -3.40 119.26 115.71 2x97 h ALA 389 Ca -0.46 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2x97 h ALA 389 Cb 1.24 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 2x97 h ALA 389 CO 0.53 -0.05 -0.23 0.54 0.00 0.00 0.00 179.25 180.04 2x97 s ASN 390 N -5.43 -0.04 0.54 0.00 2.20 -1.26 -4.09 114.94 106.86 2x97 s ASN 390 Ca -0.12 -0.62 0.23 0.00 -0.94 0.00 0.00 52.86 51.41 2x97 s ASN 390 Cb 0.23 0.43 1.50 0.00 -2.00 0.00 0.00 41.25 41.42 2x97 s ASN 390 CO 0.79 -0.86 2.17 -0.65 -2.94 0.00 0.00 177.10 175.62 2x97 h PRO 391 N 2.52 0.00 -0.51 3.55 0.11 -1.82 -1.14 132.00 134.71 2x97 h PRO 391 Ca -0.33 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 2x97 h PRO 391 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2x97 h PRO 391 CO 0.49 0.03 -0.00 0.78 -0.21 0.00 0.00 178.00 179.09 2x97 h GLY 392 N 0.14 0.92 0.90 -0.55 0.00 -1.90 -2.74 103.07 99.84 2x97 h GLY 392 Ca -0.00 -0.63 0.07 0.00 0.00 0.00 0.00 47.33 46.77 2x97 h GLY 392 CO 0.00 0.58 0.55 0.74 0.00 0.00 0.00 176.54 178.42 2x97 h PHE 393 N 0.79 0.95 -0.54 5.60 0.05 -1.52 -2.17 116.94 120.09 2x97 h PHE 393 Ca 0.15 0.02 -0.10 0.00 3.82 0.00 0.00 57.97 61.87 2x97 h PHE 393 Cb 0.48 -0.31 -0.02 0.00 2.00 0.00 0.00 35.95 38.10 2x97 h PHE 393 CO 0.03 0.49 -0.05 1.25 -0.18 0.00 0.00 178.31 179.85 2x97 h HIS 394 N 0.93 1.06 0.00 -0.55 2.76 -1.49 -2.54 115.15 115.31 2x97 h HIS 394 Ca 0.37 -0.19 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 2x97 h HIS 394 Cb 0.24 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.92 2x97 h HIS 394 CO -0.00 0.96 -0.13 0.93 -1.30 0.00 0.00 177.93 178.40 2x97 h GLU 395 N 0.88 0.00 0.00 5.26 4.39 -1.31 -3.28 114.58 120.52 2x97 h GLU 395 Ca 0.15 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.67 2x97 h GLU 395 Cb 0.58 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 2x97 h GLU 395 CO 0.03 0.13 -0.85 0.00 -1.16 0.00 0.00 179.01 177.16 2x97 h ALA 396 N 1.87 0.48 0.36 3.43 0.00 -0.96 -3.38 119.26 121.07 2x97 h ALA 396 Ca -0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 54.13 2x97 h ALA 396 Cb 0.82 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2x97 h ALA 396 CO 0.02 1.07 -0.44 0.28 0.00 0.00 0.00 179.25 180.17 2x97 h VAL 397 N 0.00 0.12 0.00 0.00 2.07 -1.61 -1.26 116.25 115.58 2x97 h VAL 397 Ca -0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2x97 h VAL 397 Cb 1.61 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2x97 h VAL 397 CO 0.11 0.00 -0.24 1.23 0.02 0.00 0.00 177.57 178.69 2x97 h GLY 398 N -0.84 0.00 2.00 2.17 0.00 -1.76 -2.85 103.07 101.79 2x97 h GLY 398 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 2x97 h GLY 398 CO -0.11 0.00 -0.68 -0.55 0.00 0.00 0.00 176.54 175.20 2x97 h ASP 399 N 0.00 0.00 -0.58 0.19 5.19 -1.46 -1.11 116.42 118.65 2x97 h ASP 399 Ca -0.00 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.48 2x97 h ASP 399 Cb 0.64 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.08 2x97 h ASP 399 CO 0.03 0.68 0.25 0.58 -3.12 0.00 0.00 179.24 177.66 2x97 h VAL 400 N 0.00 0.85 -0.19 -1.35 2.07 -1.02 0.16 116.25 116.77 2x97 h VAL 400 Ca -0.01 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 2x97 h VAL 400 Cb 1.22 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2x97 h VAL 400 CO 0.09 0.08 -0.37 -0.07 0.02 0.00 0.00 177.57 177.33 2x97 h LEU 401 N 0.46 0.65 -1.23 2.57 3.38 -1.52 -2.93 115.31 116.70 2x97 h LEU 401 Ca 0.28 -0.55 0.16 0.00 0.09 0.00 0.00 57.88 57.86 2x97 h LEU 401 Cb 0.29 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 2x97 h LEU 401 CO -0.25 1.07 0.60 0.28 0.09 0.00 0.00 178.44 180.23 2x97 h SER 402 N 0.24 0.68 -0.03 -0.43 0.02 -1.02 0.27 113.55 113.28 2x97 h SER 402 Ca 0.01 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2x97 h SER 402 Cb 0.96 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2x97 h SER 402 CO 0.08 0.31 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.90 2x97 h LEU 403 N 0.70 0.29 0.08 5.07 3.38 -0.53 -0.59 115.31 123.71 2x97 h LEU 403 Ca 0.49 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 58.19 2x97 h LEU 403 Cb 0.81 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.50 2x97 h LEU 403 CO -0.25 0.44 -0.84 0.77 0.09 0.00 0.00 178.44 178.66 2x97 h SER 404 N 0.29 0.60 0.11 -0.43 4.64 -0.56 -3.32 113.55 114.89 2x97 h SER 404 Ca 0.06 -0.84 -0.05 0.00 -0.47 0.00 0.00 61.79 60.50 2x97 h SER 404 Cb 0.39 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2x97 h SER 404 CO 0.02 1.38 -0.17 0.58 -0.87 0.00 0.00 176.83 177.77 2x97 h VAL 405 N -0.09 1.16 0.00 0.95 2.07 -0.36 -2.52 116.25 117.46 2x97 h VAL 405 Ca -0.13 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2x97 h VAL 405 Cb 1.57 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2x97 h VAL 405 CO 0.16 0.22 0.00 -1.54 0.02 0.00 0.00 177.57 176.43 2x97 n SER 406 N -4.29 0.15 -4.77 0.57 3.41 -0.25 -4.23 113.62 104.21 2x97 n SER 406 Ca -0.02 0.53 -0.38 0.00 -0.26 0.00 0.00 58.87 58.74 2x97 n SER 406 Cb 0.26 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 2x97 n SER 406 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2x97 s THR 407 N -3.05 3.45 0.39 6.66 -4.23 -0.95 -4.90 115.64 113.02 2x97 s THR 407 Ca 0.09 1.20 0.12 0.00 -1.18 0.00 0.00 61.69 61.92 2x97 s THR 407 Cb 0.13 -3.67 0.34 0.00 1.34 0.00 0.00 72.50 70.64 2x97 s THR 407 CO 0.39 0.09 1.90 -0.65 -0.54 0.00 0.00 174.62 175.82 2x97 h PRO 408 N 2.74 0.55 -0.32 3.99 0.11 -1.88 -1.59 132.00 135.59 2x97 h PRO 408 Ca -0.48 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.66 2x97 h PRO 408 Cb 1.22 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.13 2x97 h PRO 408 CO 0.63 0.36 -0.38 -0.22 -0.21 0.00 0.00 178.00 178.18 2x97 h LYS 409 N 0.56 -0.33 -0.19 1.05 3.64 -1.92 -0.84 116.57 118.54 2x97 h LYS 409 Ca 0.40 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 2x97 h LYS 409 Cb 0.74 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 2x97 h LYS 409 CO -0.15 -0.22 0.05 1.25 -2.27 0.00 0.00 179.45 178.11 2x97 h HIS 410 N -0.34 0.32 0.00 1.91 2.76 -1.72 -2.81 115.15 115.26 2x97 h HIS 410 Ca 0.13 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 2x97 h HIS 410 Cb 0.57 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 2x97 h HIS 410 CO -0.54 0.42 -0.42 -0.07 -1.30 0.00 0.00 177.93 176.02 2x97 h LEU 411 N 0.12 0.00 -0.56 0.26 3.38 -1.04 -1.43 115.31 116.05 2x97 h LEU 411 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2x97 h LEU 411 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2x97 h LEU 411 CO -0.00 0.42 0.06 -0.33 0.09 0.00 0.00 178.44 178.67 2x97 h GLU 412 N 0.00 0.94 -0.84 1.13 5.08 -1.10 -1.45 114.58 118.34 2x97 h GLU 412 Ca -0.00 -0.27 0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2x97 h GLU 412 Cb 0.83 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 2x97 h GLU 412 CO 0.05 0.92 0.55 0.87 -1.00 0.00 0.00 179.01 180.41 2x97 h LYS 413 N 0.83 0.60 -0.67 2.33 1.57 -1.01 -1.99 116.57 118.24 2x97 h LYS 413 Ca 0.16 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2x97 h LYS 413 Cb 0.46 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2x97 h LYS 413 CO 0.02 0.40 0.00 0.44 -0.57 0.00 0.00 179.45 179.73 2x97 n ILE 414 N -4.53 0.89 -1.08 1.86 -5.35 -0.97 -4.92 119.36 105.26 2x97 n ILE 414 Ca 0.16 -0.89 -0.03 0.00 -0.27 0.00 0.00 62.75 61.72 2x97 n ILE 414 Cb 0.47 0.46 -0.01 0.00 -1.74 0.00 0.00 39.64 38.82 2x97 n ILE 414 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x97 n GLY 415 N 1.57 0.60 0.04 3.28 0.00 -0.75 -4.89 105.19 105.04 2x97 n GLY 415 Ca 0.22 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.65 2x97 n GLY 415 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x97 n LEU 416 N -0.31 0.28 -4.08 0.99 4.77 -0.57 -4.79 117.00 113.28 2x97 n LEU 416 Ca -0.03 0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.73 2x97 n LEU 416 Cb 0.11 -0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.02 2x97 n LEU 416 CO 0.04 -0.06 -0.51 -0.22 -1.33 0.00 0.00 177.39 175.31 2x97 s LEU 417 N -4.77 2.16 0.11 2.23 2.96 -1.04 -4.77 118.68 115.55 2x97 s LEU 417 Ca -0.05 -0.70 0.10 0.00 -0.22 0.00 0.00 54.13 53.26 2x97 s LEU 417 Cb 0.13 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 2x97 s LEU 417 CO 0.87 -0.04 -0.26 -0.54 -1.32 0.00 0.00 176.35 175.06 2x97 s LYS 418 N 1.32 1.53 -1.48 1.98 1.02 -1.26 -4.34 119.74 118.51 2x97 s LYS 418 Ca 0.03 -1.28 -0.10 0.00 0.02 0.00 0.00 55.97 54.64 2x97 s LYS 418 Cb -0.14 -1.94 0.06 0.00 -0.52 0.00 0.00 37.83 35.30 2x97 s LYS 418 CO -0.11 0.47 0.89 -0.25 -0.92 0.00 0.00 175.35 175.42 2x97 n ASP 419 N 1.08 -3.70 -4.73 2.83 10.43 -1.26 -4.95 116.55 116.24 2x97 n ASP 419 Ca -0.18 -0.81 -0.38 0.00 2.57 0.00 0.00 54.79 56.00 2x97 n ASP 419 Cb 0.53 -3.86 -0.06 0.00 1.84 0.00 0.00 41.12 39.57 2x97 n ASP 419 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2x97 s TYR 420 N -3.42 3.52 -0.27 1.24 5.04 -1.26 -5.07 117.35 117.14 2x97 s TYR 420 Ca 0.48 0.84 -0.03 0.00 -2.44 0.00 0.00 57.07 55.92 2x97 s TYR 420 Cb -0.24 -2.49 0.02 0.00 0.35 0.00 0.00 41.96 39.60 2x97 s TYR 420 CO 0.83 0.22 -0.01 0.08 -1.34 0.00 0.00 175.55 175.32 2x97 s VAL 421 N 0.47 3.21 -1.44 3.14 1.01 -1.26 -5.03 120.40 120.49 2x97 s VAL 421 Ca 0.24 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 2x97 s VAL 421 Cb -0.15 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.62 2x97 s VAL 421 CO 0.09 0.13 2.43 -1.14 0.00 0.00 0.00 175.10 176.62 2x97 n ARG 422 N 4.72 3.75 -0.71 2.72 0.63 -1.26 -4.72 116.66 121.79 2x97 n ARG 422 Ca -0.16 -2.89 -0.11 0.00 -0.92 0.00 0.00 57.85 53.77 2x97 n ARG 422 Cb 0.47 -2.88 0.08 0.00 0.45 0.00 0.00 32.46 30.58 2x97 n ARG 422 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2x97 n ASP 423 N 3.67 -0.09 0.05 6.15 3.85 -1.26 -4.77 116.55 124.14 2x97 n ASP 423 Ca 0.61 -1.15 0.03 0.00 -0.71 0.00 0.00 54.79 53.57 2x97 n ASP 423 Cb 0.29 -0.40 0.40 0.00 -1.35 0.00 0.00 41.12 40.06 2x97 n ASP 423 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2x97 h ASP 424 N -0.77 0.39 -0.01 -1.12 3.45 -1.99 -1.17 116.42 115.19 2x97 h ASP 424 Ca -0.17 -0.04 -0.03 0.00 0.43 0.00 0.00 57.03 57.22 2x97 h ASP 424 Cb 0.46 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 2x97 h ASP 424 CO 0.12 0.39 -0.09 -0.33 -1.57 0.00 0.00 179.24 177.75 2x97 h GLU 425 N 0.42 0.09 -0.81 3.56 5.08 -1.96 -2.05 114.58 118.91 2x97 h GLU 425 Ca 0.10 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2x97 h GLU 425 Cb 0.15 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 2x97 h GLU 425 CO -0.01 0.76 0.53 0.00 -1.00 0.00 0.00 179.01 179.29 2x97 h ALA 426 N 0.33 1.72 -0.31 3.43 0.00 -1.81 -0.96 119.26 121.66 2x97 h ALA 426 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2x97 h ALA 426 Cb 0.78 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2x97 h ALA 426 CO 0.02 0.12 0.05 -0.09 0.00 0.00 0.00 179.25 179.36 2x97 h ARG 427 N 0.78 0.50 -0.58 0.00 2.43 -1.07 -1.20 114.38 115.24 2x97 h ARG 427 Ca 0.37 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2x97 h ARG 427 Cb 0.40 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2x97 h ARG 427 CO -0.14 0.60 0.34 0.82 -1.51 0.00 0.00 179.97 180.07 2x97 h ILE 428 N 0.33 1.02 -0.92 1.20 1.08 -1.06 0.48 117.51 119.64 2x97 h ILE 428 Ca 0.09 -0.22 0.12 0.00 -0.39 0.00 0.00 64.86 64.46 2x97 h ILE 428 Cb 0.33 0.31 -0.08 0.00 -3.07 0.00 0.00 36.82 34.31 2x97 h ILE 428 CO 0.01 0.12 0.55 0.78 -0.69 0.00 0.00 178.15 178.91 2x97 h ASN 429 N 0.65 0.78 -0.08 1.72 2.35 -0.77 -0.47 115.58 119.77 2x97 h ASN 429 Ca 0.25 0.06 -0.19 0.00 -0.55 0.00 0.00 56.30 55.86 2x97 h ASN 429 Cb 0.08 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.37 2x97 h ASN 429 CO -0.13 0.41 -0.69 -0.61 -1.65 0.00 0.00 177.43 174.75 2x97 h GLN 430 N 0.86 0.61 -0.87 0.81 5.75 -0.49 -0.25 115.11 121.54 2x97 h GLN 430 Ca 0.46 -0.55 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2x97 h GLN 430 Cb 0.49 0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 2x97 h GLN 430 CO -0.28 1.17 0.51 -0.07 -2.65 0.00 0.00 178.83 177.51 2x97 h LEU 431 N 0.24 1.06 -0.17 -2.39 3.38 -0.82 -0.39 115.31 116.22 2x97 h LEU 431 Ca -0.06 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2x97 h LEU 431 Cb 1.35 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2x97 h LEU 431 CO 0.14 0.82 -0.12 0.15 0.09 0.00 0.00 178.44 179.52 2x97 h PHE 432 N 1.21 0.44 -0.57 1.13 3.04 -0.96 0.04 116.94 121.26 2x97 h PHE 432 Ca 0.31 -0.12 0.11 0.00 3.98 0.00 0.00 57.97 62.25 2x97 h PHE 432 Cb -0.03 -0.10 -0.08 0.00 2.56 0.00 0.00 35.95 38.30 2x97 h PHE 432 CO 0.01 0.72 0.11 1.25 -2.02 0.00 0.00 178.31 178.38 2x97 h LEU 433 N 0.04 -0.01 -0.55 0.59 5.85 -0.93 -0.47 115.31 119.82 2x97 h LEU 433 Ca 0.03 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2x97 h LEU 433 Cb 0.62 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2x97 h LEU 433 CO 0.03 0.01 0.27 0.74 -0.34 0.00 0.00 178.44 179.15 2x97 h THR 434 N 0.24 1.20 -0.37 1.05 2.02 -0.74 -2.89 112.91 113.42 2x97 h THR 434 Ca 0.30 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2x97 h THR 434 Cb 0.43 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2x97 h THR 434 CO -0.39 0.23 0.21 0.00 0.37 0.00 0.00 175.52 175.94 2x97 h ALA 435 N 1.11 1.67 0.00 6.16 0.00 -0.43 0.17 119.26 127.93 2x97 h ALA 435 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2x97 h ALA 435 Cb 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2x97 h ALA 435 CO -0.02 0.28 -0.06 -0.07 0.00 0.00 0.00 179.25 179.38 2x97 h LEU 436 N 0.51 0.00 0.00 0.00 3.38 -0.88 -0.66 115.31 117.66 2x97 h LEU 436 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2x97 h LEU 436 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2x97 h LEU 436 CO -0.02 0.06 -0.47 -0.67 0.09 0.00 0.00 178.44 177.43 2x97 n ASP 437 N -3.39 1.63 0.09 -0.43 2.03 -0.54 -0.32 116.55 115.62 2x97 n ASP 437 Ca -0.02 0.59 -0.13 0.00 0.52 0.00 0.00 54.79 55.76 2x97 n ASP 437 Cb 0.21 -0.83 -0.12 0.00 -0.72 0.00 0.00 41.12 39.66 2x97 n ASP 437 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2x97 h LYS 438 N -0.90 0.19 0.04 -0.67 1.79 -0.58 -2.80 116.57 113.64 2x97 h LYS 438 Ca 0.00 -0.30 -0.25 0.00 -2.18 0.00 0.00 60.65 57.91 2x97 h LYS 438 Cb 0.47 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 2x97 h LYS 438 CO 0.00 1.13 -1.36 0.82 -1.08 0.00 0.00 179.45 178.96 2x97 h ILE 439 N 0.06 0.93 -0.97 1.86 1.08 -1.35 -3.36 117.51 115.75 2x97 h ILE 439 Ca -0.09 -2.26 0.19 0.00 -0.39 0.00 0.00 64.86 62.31 2x97 h ILE 439 Cb 1.86 2.43 -0.09 0.00 -3.07 0.00 0.00 36.82 37.94 2x97 h ILE 439 CO 0.17 0.51 0.61 0.58 -0.69 0.00 0.00 178.15 179.34 2x97 h VAL 440 N -0.67 0.72 0.00 1.67 2.07 -1.53 -1.88 116.25 116.62 2x97 h VAL 440 Ca -0.34 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2x97 h VAL 440 Cb 1.51 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2x97 h VAL 440 CO -0.09 0.12 -0.22 0.15 0.02 0.00 0.00 177.57 177.55 2x97 h PHE 441 N 0.66 0.00 0.31 1.57 3.57 -1.53 -3.32 116.94 118.20 2x97 h PHE 441 Ca 0.53 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.03 2x97 h PHE 441 Cb 0.96 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2x97 h PHE 441 CO -0.00 0.22 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.00 2x97 h LEU 442 N 0.00 -0.59 -1.06 0.59 3.38 -1.48 0.35 115.31 116.51 2x97 h LEU 442 Ca -0.00 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2x97 h LEU 442 Cb 0.48 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2x97 h LEU 442 CO 0.03 -0.35 0.12 1.55 0.09 0.00 0.00 178.44 179.87 2x97 h PRO 443 N -0.54 0.79 -0.09 1.13 0.13 -1.76 -1.71 132.00 129.96 2x97 h PRO 443 Ca -0.02 -0.16 0.04 0.00 -0.87 0.00 0.00 66.00 64.98 2x97 h PRO 443 Cb 0.47 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.43 2x97 h PRO 443 CO 0.00 0.72 -0.20 0.35 -0.23 0.00 0.00 178.00 178.64 2x97 h PHE 444 N 0.76 -0.53 -0.44 1.56 3.57 -1.53 -2.02 116.94 118.31 2x97 h PHE 444 Ca 0.17 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 2x97 h PHE 444 Cb 0.29 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2x97 h PHE 444 CO 0.02 -0.28 -0.20 0.00 -2.23 0.00 0.00 178.31 175.61 2x97 h ALA 445 N 0.68 0.81 -0.84 2.41 0.00 -0.71 -2.09 119.26 119.52 2x97 h ALA 445 Ca 0.09 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.68 2x97 h ALA 445 Cb 0.40 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2x97 h ALA 445 CO -0.25 0.65 0.52 0.35 0.00 0.00 0.00 179.25 180.52 2x97 h PHE 446 N 0.76 0.97 0.00 0.00 3.04 -1.11 -2.95 116.94 117.65 2x97 h PHE 446 Ca 0.11 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 2x97 h PHE 446 Cb 0.74 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 2x97 h PHE 446 CO 0.04 0.51 -0.43 1.79 -2.02 0.00 0.00 178.31 178.20 2x97 h THR 447 N 0.97 1.18 -0.62 4.41 1.35 -0.69 0.22 112.91 119.74 2x97 h THR 447 Ca 0.36 -1.53 0.03 0.00 -0.55 0.00 0.00 66.41 64.72 2x97 h THR 447 Cb 0.13 1.85 -0.04 0.00 -1.73 0.00 0.00 68.15 68.36 2x97 h THR 447 CO -0.16 0.42 0.38 0.24 -0.25 0.00 0.00 175.52 176.15 2x97 h MET 448 N 0.00 0.72 0.03 4.72 2.86 -1.29 -0.31 114.93 121.66 2x97 h MET 448 Ca -0.00 -0.04 -0.28 0.00 -2.06 0.00 0.00 59.70 57.31 2x97 h MET 448 Cb 0.82 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 2x97 h MET 448 CO 0.06 0.48 -1.51 -0.44 1.06 0.00 0.00 176.91 176.55 2x97 h ASP 449 N 0.74 0.10 -0.66 1.22 3.45 -1.59 -2.94 116.42 116.74 2x97 h ASP 449 Ca 0.25 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.55 2x97 h ASP 449 Cb 0.03 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 2x97 h ASP 449 CO -0.11 1.14 0.41 0.11 -1.57 0.00 0.00 179.24 179.22 2x97 h LYS 450 N 0.02 0.89 0.50 3.56 1.57 -0.82 0.31 116.57 122.60 2x97 h LYS 450 Ca -0.21 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2x97 h LYS 450 Cb 1.95 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 34.07 2x97 h LYS 450 CO 0.11 0.62 -0.24 -0.92 -0.57 0.00 0.00 179.45 178.44 2x97 h TYR 451 N 0.91 -0.62 -0.38 -1.35 3.20 -1.14 -2.05 116.97 115.53 2x97 h TYR 451 Ca 0.24 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 2x97 h TYR 451 Cb -0.06 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2x97 h TYR 451 CO 0.00 -0.32 -0.12 0.00 -1.64 0.00 0.00 178.16 176.09 2x97 h ARG 452 N -0.84 0.68 -0.91 1.82 3.08 -1.32 -1.85 114.38 115.04 2x97 h ARG 452 Ca -0.07 -0.22 0.06 0.00 0.07 0.00 0.00 59.98 59.82 2x97 h ARG 452 Cb 0.59 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 2x97 h ARG 452 CO 0.11 0.77 0.58 -1.49 -1.07 0.00 0.00 179.97 178.88 2x97 h TRP 453 N 0.62 1.08 0.00 3.04 6.55 -0.37 0.19 115.95 127.06 2x97 h TRP 453 Ca 0.11 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.88 2x97 h TRP 453 Cb 0.56 -0.35 -0.01 0.00 -0.86 0.00 0.00 29.16 28.49 2x97 h TRP 453 CO 0.03 0.57 -0.47 0.66 -1.05 0.00 0.00 178.44 178.18 2x97 h SER 454 N 1.08 0.00 -0.11 -3.49 4.64 -0.60 0.21 113.55 115.28 2x97 h SER 454 Ca 0.39 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.63 2x97 h SER 454 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2x97 h SER 454 CO -0.16 0.47 -0.26 -0.07 -0.87 0.00 0.00 176.83 175.94 2x97 h LEU 455 N 0.00 0.41 -0.56 5.97 3.38 -0.87 -0.43 115.31 123.21 2x97 h LEU 455 Ca -0.00 -0.58 0.05 0.00 0.09 0.00 0.00 57.88 57.43 2x97 h LEU 455 Cb 1.04 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2x97 h LEU 455 CO 0.06 0.92 0.30 -0.26 0.09 0.00 0.00 178.44 179.55 2x97 h PHE 456 N -0.07 0.55 0.00 1.13 0.05 -0.72 -1.54 116.94 116.35 2x97 h PHE 456 Ca -0.00 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.81 2x97 h PHE 456 Cb 0.86 -0.17 0.00 0.00 2.00 0.00 0.00 35.95 38.65 2x97 h PHE 456 CO 0.11 0.28 0.00 0.54 -0.18 0.00 0.00 178.31 179.06 2x97 n ARG 457 N -4.84 0.04 -0.91 1.51 1.74 0.04 -4.56 116.66 109.68 2x97 n ARG 457 Ca 0.06 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 2x97 n ARG 457 Cb 0.14 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 2x97 n ARG 457 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x97 n GLY 458 N 0.09 0.44 0.01 -0.13 0.00 -0.58 -4.93 105.19 100.10 2x97 n GLY 458 Ca 0.03 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.19 2x97 n GLY 458 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x97 n GLU 459 N -2.87 0.06 -4.82 1.61 1.02 -0.19 -4.77 120.64 110.68 2x97 n GLU 459 Ca 0.00 -0.03 -0.28 0.00 -0.02 0.00 0.00 57.16 56.83 2x97 n GLU 459 Cb 0.01 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 29.76 2x97 n GLU 459 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2x97 s VAL 460 N -2.96 1.52 0.39 2.62 1.01 -1.23 -5.03 120.40 116.73 2x97 s VAL 460 Ca 0.13 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 2x97 s VAL 460 Cb 0.18 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 2x97 s VAL 460 CO 0.66 0.44 1.16 -1.81 0.00 0.00 0.00 175.10 175.55 2x97 s ASP 461 N 0.57 6.57 0.54 3.32 1.01 -1.26 -4.88 116.67 122.55 2x97 s ASP 461 Ca -0.15 2.32 0.26 0.00 0.71 0.00 0.00 52.55 55.69 2x97 s ASP 461 Cb -0.17 -2.61 1.44 0.00 1.01 0.00 0.00 42.92 42.59 2x97 s ASP 461 CO 0.05 -0.64 2.01 0.11 0.21 0.00 0.00 175.17 176.91 2x97 h LYS 462 N 2.68 0.00 0.00 8.23 1.57 -1.99 0.76 116.57 127.81 2x97 h LYS 462 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2x97 h LYS 462 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2x97 h LYS 462 CO 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.51 2x97 h ALA 463 N 1.72 1.00 -0.07 3.86 0.00 -2.01 -3.09 119.26 120.68 2x97 h ALA 463 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2x97 h ALA 463 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2x97 h ALA 463 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 2x97 n ASN 464 N -2.30 2.31 -0.15 0.00 5.03 0.26 -4.79 115.26 115.63 2x97 n ASN 464 Ca 0.01 -2.28 -0.02 0.00 0.87 0.00 0.00 54.58 53.16 2x97 n ASN 464 Cb 0.18 -0.15 0.20 0.00 -1.02 0.00 0.00 39.78 38.99 2x97 n ASN 464 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 2x97 h TRP 465 N 0.40 0.88 -0.10 3.10 4.06 -1.48 -1.17 115.95 121.64 2x97 h TRP 465 Ca 0.00 -0.06 -0.10 0.00 2.06 0.00 0.00 58.89 60.79 2x97 h TRP 465 Cb 0.69 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 2x97 h TRP 465 CO 0.06 0.69 -0.34 -0.97 -3.56 0.00 0.00 178.44 174.33 2x97 h ASN 466 N 0.85 0.46 0.70 -3.49 -1.24 -1.85 -3.05 115.58 107.96 2x97 h ASN 466 Ca 0.20 -0.62 -0.08 0.00 0.71 0.00 0.00 56.30 56.51 2x97 h ASN 466 Cb 0.21 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 2x97 h ASN 466 CO -0.01 1.00 -0.40 0.00 -1.29 0.00 0.00 177.43 176.73 2x97 h ALA 468 N 1.60 1.85 0.33 0.00 0.00 -1.18 0.13 119.26 121.99 2x97 h ALA 468 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2x97 h ALA 468 Cb 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2x97 h ALA 468 CO 0.05 0.10 -0.16 0.35 0.00 0.00 0.00 179.25 179.59 2x97 h PHE 469 N 0.44 -0.42 0.00 0.00 3.57 -1.21 -2.86 116.94 116.47 2x97 h PHE 469 Ca 0.17 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2x97 h PHE 469 Cb 0.14 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2x97 h PHE 469 CO -0.00 -0.08 -0.20 -1.49 -2.23 0.00 0.00 178.31 174.32 2x97 h TRP 470 N -0.84 0.00 -0.51 0.41 4.06 -1.22 -2.33 115.95 115.52 2x97 h TRP 470 Ca -0.05 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.79 2x97 h TRP 470 Cb 0.52 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.67 2x97 h TRP 470 CO 0.03 0.20 -0.12 0.87 -3.56 0.00 0.00 178.44 175.86 2x97 h LYS 471 N 0.00 0.97 -0.62 0.49 1.57 -0.74 -0.53 116.57 117.71 2x97 h LYS 471 Ca -0.00 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.35 2x97 h LYS 471 Cb 0.45 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 2x97 h LYS 471 CO 0.03 1.04 0.18 -0.07 -0.57 0.00 0.00 179.45 180.06 2x97 h LEU 472 N 0.84 0.92 -0.96 2.94 3.38 -1.22 -0.28 115.31 120.92 2x97 h LEU 472 Ca 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2x97 h LEU 472 Cb 0.68 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2x97 h LEU 472 CO 0.05 0.90 0.19 0.03 0.09 0.00 0.00 178.44 179.70 2x97 h ARG 473 N 0.90 0.95 0.51 1.13 2.47 -1.11 -0.73 114.38 118.49 2x97 h ARG 473 Ca 0.20 -0.18 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 2x97 h ARG 473 Cb 0.31 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2x97 h ARG 473 CO -0.00 0.81 -0.24 0.22 0.56 0.00 0.00 179.97 181.32 2x97 h ASP 474 N 0.92 -0.58 -0.73 7.04 -0.00 -1.03 -1.21 116.42 120.83 2x97 h ASP 474 Ca 0.21 -0.07 0.03 0.00 -0.00 0.00 0.00 57.03 57.20 2x97 h ASP 474 Cb 0.26 0.15 -0.05 0.00 -0.00 0.00 0.00 39.33 39.70 2x97 h ASP 474 CO -0.01 -0.22 0.46 -0.08 -0.00 0.00 0.00 179.24 179.39 2x97 h GLU 475 N -0.97 0.87 0.07 0.28 4.81 -0.66 -0.33 114.58 118.65 2x97 h GLU 475 Ca -0.07 -0.05 -0.31 0.00 -0.13 0.00 0.00 59.36 58.80 2x97 h GLU 475 Cb 0.61 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2x97 h GLU 475 CO 0.11 0.58 -1.70 0.66 -0.73 0.00 0.00 179.01 177.93 2x97 n TYR 476 N -4.64 1.12 0.07 0.92 4.01 -0.31 -4.63 117.16 113.70 2x97 n TYR 476 Ca 0.08 0.33 0.09 0.00 -0.16 0.00 0.00 57.90 58.25 2x97 n TYR 476 Cb 0.09 -1.13 -0.14 0.00 -0.31 0.00 0.00 39.34 37.85 2x97 n TYR 476 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2x97 n SER 477 N -3.91 0.80 -1.48 7.72 7.64 -0.53 -4.88 113.62 118.98 2x97 n SER 477 Ca -0.33 -0.09 -0.10 0.00 1.01 0.00 0.00 58.87 59.37 2x97 n SER 477 Cb 0.89 1.76 0.02 0.00 -1.01 0.00 0.00 64.21 65.86 2x97 n SER 477 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x97 n GLY 478 N 1.45 0.19 3.44 0.23 0.00 -0.13 -4.94 105.19 105.43 2x97 n GLY 478 Ca -0.03 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 2x97 n GLY 478 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2x97 s ILE 479 N -2.85 1.62 0.15 -0.61 -5.25 -1.23 -0.98 121.20 112.06 2x97 s ILE 479 Ca 0.15 -2.10 -0.17 0.00 -0.99 0.00 0.00 60.65 57.53 2x97 s ILE 479 Cb -0.06 -2.53 0.04 0.00 2.95 0.00 0.00 42.46 42.86 2x97 s ILE 479 CO 0.18 -0.24 0.46 -1.83 -1.79 0.00 0.00 174.94 171.71 2x97 s GLU 480 N -3.74 1.18 0.79 0.37 -1.05 -0.78 -3.69 118.70 111.78 2x97 s GLU 480 Ca 0.31 -0.73 -0.13 0.00 -0.15 0.00 0.00 54.97 54.27 2x97 s GLU 480 Cb 0.05 0.50 0.07 0.00 -0.44 0.00 0.00 34.13 34.31 2x97 s GLU 480 CO 0.13 -0.48 1.19 -2.14 0.95 0.00 0.00 175.26 174.91 2x97 s PRO 481 N -3.82 1.75 0.49 -4.83 0.02 -1.26 -1.16 135.00 126.20 2x97 s PRO 481 Ca 0.05 1.71 0.28 0.00 0.02 0.00 0.00 61.00 63.06 2x97 s PRO 481 Cb 0.01 -1.79 0.96 0.00 0.02 0.00 0.00 34.50 33.69 2x97 s PRO 481 CO -0.09 -2.12 1.83 -1.00 -0.33 0.00 0.00 177.00 175.29 2x97 h PRO 482 N -0.82 0.00 -4.56 5.54 0.13 -1.96 -3.43 132.00 126.90 2x97 h PRO 482 Ca -0.46 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.46 2x97 h PRO 482 Cb 1.29 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.27 2x97 h PRO 482 CO 0.47 0.06 -0.68 0.14 -0.23 0.00 0.00 178.00 177.76 2x97 s VAL 483 N -3.51 0.49 0.12 1.56 -7.23 -1.26 -5.07 120.40 105.50 2x97 s VAL 483 Ca 0.03 -1.91 -0.31 0.00 -1.81 0.00 0.00 61.98 57.97 2x97 s VAL 483 Cb 0.08 -1.81 -0.09 0.00 0.56 0.00 0.00 36.38 35.12 2x97 s VAL 483 CO 0.60 -0.74 1.54 -0.69 -0.31 0.00 0.00 175.10 175.50 2x97 s VAL 484 N -3.77 2.92 0.36 1.32 1.01 -1.26 -4.91 120.40 116.07 2x97 s VAL 484 Ca 0.16 0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.82 2x97 s VAL 484 Cb 0.06 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2x97 s VAL 484 CO -0.03 0.03 0.07 -0.13 0.00 0.00 0.00 175.10 175.04 2x97 s ARG 485 N 1.54 2.15 0.16 2.72 1.81 0.17 -5.01 118.95 122.49 2x97 s ARG 485 Ca 0.69 -1.76 -0.02 0.00 -1.72 0.00 0.00 55.73 52.93 2x97 s ARG 485 Cb -0.41 -1.96 0.01 0.00 -0.45 0.00 0.00 34.95 32.14 2x97 s ARG 485 CO 0.31 0.07 0.24 -1.13 -0.68 0.00 0.00 175.30 174.10 2x97 n SER 486 N -1.05 -0.66 0.00 0.23 3.41 -1.26 -0.99 113.62 113.29 2x97 n SER 486 Ca -0.03 -1.81 0.10 0.00 -0.26 0.00 0.00 58.87 56.87 2x97 n SER 486 Cb 0.63 1.21 0.57 0.00 -0.26 0.00 0.00 64.21 66.35 2x97 n SER 486 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2x97 n GLU 487 N -0.25 0.55 0.20 4.33 -0.58 -1.25 -1.22 120.64 122.42 2x97 n GLU 487 Ca -0.00 0.02 0.13 0.00 -0.42 0.00 0.00 57.16 56.89 2x97 n GLU 487 Cb 0.26 -1.50 0.35 0.00 -0.57 0.00 0.00 31.44 29.97 2x97 n GLU 487 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2x97 h LYS 488 N 0.00 0.00 -6.34 3.49 1.57 -1.94 -3.45 116.57 109.89 2x97 h LYS 488 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 2x97 h LYS 488 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2x97 h LYS 488 CO 0.00 0.00 -0.32 -0.51 -0.57 0.00 0.00 179.45 178.05 2x97 s ASP 489 N -5.60 5.69 -0.32 0.86 1.11 -0.35 -5.04 116.67 113.03 2x97 s ASP 489 Ca 0.06 -0.36 0.00 0.00 0.18 0.00 0.00 52.55 52.43 2x97 s ASP 489 Cb 0.08 -0.91 0.14 0.00 1.07 0.00 0.00 42.92 43.30 2x97 s ASP 489 CO 0.61 -0.58 0.30 0.12 1.18 0.00 0.00 175.17 176.80 2x97 s PHE 490 N -2.29 -0.28 -0.16 4.23 5.36 -1.26 -4.70 117.98 118.89 2x97 s PHE 490 Ca 0.49 -0.51 0.22 0.00 -0.96 0.00 0.00 56.93 56.17 2x97 s PHE 490 Cb -0.09 -0.51 -0.13 0.00 -0.34 0.00 0.00 43.02 41.96 2x97 s PHE 490 CO 0.31 -0.92 0.83 -0.25 -1.46 0.00 0.00 175.22 173.73 2x97 n ASP 491 N 4.91 0.53 -0.29 6.13 8.00 -1.26 -1.35 116.55 133.22 2x97 n ASP 491 Ca 0.02 0.21 -0.01 0.00 0.71 0.00 0.00 54.79 55.72 2x97 n ASP 491 Cb 0.45 1.02 0.11 0.00 -0.02 0.00 0.00 41.12 42.68 2x97 n ASP 491 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x97 h ALA 492 N 2.00 1.07 0.00 2.24 0.00 -1.95 -1.65 119.26 120.97 2x97 h ALA 492 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x97 h ALA 492 Cb 1.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2x97 h ALA 492 CO 0.00 0.28 0.00 -2.30 0.00 0.00 0.00 179.25 177.23 2x97 n PRO 493 N -4.62 0.34 0.00 0.00 -0.02 -1.26 -1.90 135.00 127.54 2x97 n PRO 493 Ca 0.10 0.05 0.07 0.00 -2.02 0.00 0.00 63.50 61.70 2x97 n PRO 493 Cb 0.12 -1.50 0.31 0.00 -0.02 0.00 0.00 33.50 32.41 2x97 n PRO 493 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x97 n ALA 494 N -1.09 1.66 -2.71 3.55 0.00 -0.62 -3.91 120.51 117.39 2x97 n ALA 494 Ca 0.09 -0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.10 2x97 n ALA 494 Cb 0.06 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 2x97 n ALA 494 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2x97 s LYS 495 N -2.97 4.25 0.18 0.00 2.47 -0.80 -4.91 119.74 117.96 2x97 s LYS 495 Ca 0.07 0.19 -0.20 0.00 -1.56 0.00 0.00 55.97 54.47 2x97 s LYS 495 Cb 0.09 -3.46 0.12 0.00 -1.46 0.00 0.00 37.83 33.12 2x97 s LYS 495 CO 0.26 0.14 1.60 -0.92 0.16 0.00 0.00 175.35 176.59 2x97 h TYR 496 N 6.90 -0.77 0.00 4.03 3.20 -1.90 -0.53 116.97 127.90 2x97 h TYR 496 Ca -0.40 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.51 2x97 h TYR 496 Cb 1.17 0.42 -0.00 0.00 1.54 0.00 0.00 36.73 39.85 2x97 h TYR 496 CO 0.63 -0.35 -0.13 0.45 -1.64 0.00 0.00 178.16 177.11 2x97 h HIS 497 N -0.16 0.00 -0.06 -3.82 3.86 -1.92 0.82 115.15 113.87 2x97 h HIS 497 Ca 0.22 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 2x97 h HIS 497 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 2x97 h HIS 497 CO -0.56 0.13 -0.19 0.82 0.86 0.00 0.00 177.93 178.99 2x97 h ILE 498 N 0.00 1.44 0.00 2.45 2.04 -1.39 0.51 117.51 122.56 2x97 h ILE 498 Ca -0.00 -1.58 -0.03 0.00 1.00 0.00 0.00 64.86 64.25 2x97 h ILE 498 Cb 0.27 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 2x97 h ILE 498 CO 0.02 0.44 -0.16 0.28 0.00 0.00 0.00 178.15 178.72 2x97 h SER 499 N -0.28 0.00 -0.24 1.72 0.02 -0.73 -3.10 113.55 110.95 2x97 h SER 499 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2x97 h SER 499 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2x97 h SER 499 CO 0.04 0.16 0.00 0.00 -1.14 0.00 0.00 176.83 175.89 2x97 n ALA 500 N -2.47 2.46 -3.54 3.77 0.00 0.21 -3.85 120.51 117.09 2x97 n ALA 500 Ca -0.02 -0.77 -0.20 0.00 0.00 0.00 0.00 53.44 52.44 2x97 n ALA 500 Cb 0.23 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.80 2x97 n ALA 500 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2x97 n ASP 501 N 1.07 -2.78 -4.29 0.00 4.64 -0.64 -4.99 116.55 109.56 2x97 n ASP 501 Ca 0.17 -0.76 -0.34 0.00 -1.38 0.00 0.00 54.79 52.48 2x97 n ASP 501 Cb 0.52 -4.52 -0.14 0.00 -1.04 0.00 0.00 41.12 35.93 2x97 n ASP 501 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2x97 s VAL 502 N -3.51 3.09 0.44 5.18 1.01 0.08 -5.06 120.40 121.63 2x97 s VAL 502 Ca 0.13 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 2x97 s VAL 502 Cb -0.03 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 2x97 s VAL 502 CO 0.78 0.46 1.23 1.21 0.00 0.00 0.00 175.10 178.78 2x97 n GLU 503 N 4.53 1.78 -0.00 2.72 0.00 -1.26 -4.66 120.64 123.74 2x97 n GLU 503 Ca -0.19 0.64 0.05 0.00 0.00 0.00 0.00 57.16 57.66 2x97 n GLU 503 Cb 0.51 -2.35 -0.07 0.00 0.00 0.00 0.00 31.44 29.53 2x97 n GLU 503 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2x97 n TYR 504 N -0.41 0.00 0.21 4.31 9.36 -1.26 -4.51 117.16 124.86 2x97 n TYR 504 Ca 0.08 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.42 2x97 n TYR 504 Cb 0.40 -0.16 0.71 0.00 -0.63 0.00 0.00 39.34 39.66 2x97 n TYR 504 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2x97 h LEU 505 N 0.00 0.00 -1.24 2.98 5.85 -1.92 0.91 115.31 121.88 2x97 h LEU 505 Ca 0.00 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.92 2x97 h LEU 505 Cb 0.38 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 2x97 h LEU 505 CO 0.00 0.00 0.61 0.08 -0.34 0.00 0.00 178.44 178.79 2x97 h ARG 506 N 0.00 0.59 0.02 1.25 0.11 -1.89 -0.37 114.38 114.08 2x97 h ARG 506 Ca 0.06 -0.04 -0.22 0.00 0.10 0.00 0.00 59.98 59.88 2x97 h ARG 506 Cb 0.24 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.18 2x97 h ARG 506 CO -0.00 0.39 -0.95 1.88 0.10 0.00 0.00 179.97 181.39 2x97 h TYR 507 N 0.61 0.44 -0.14 4.08 0.05 -1.13 -0.96 116.97 119.92 2x97 h TYR 507 Ca 0.53 -0.25 -0.01 0.00 0.05 0.00 0.00 58.73 59.05 2x97 h TYR 507 Cb 1.03 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 2x97 h TYR 507 CO -0.00 1.08 0.06 1.25 -1.05 0.00 0.00 178.16 179.50 2x97 h LEU 508 N 0.15 0.19 -0.26 3.88 5.85 -1.23 -1.01 115.31 122.89 2x97 h LEU 508 Ca -0.07 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.53 2x97 h LEU 508 Cb 1.59 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 2x97 h LEU 508 CO 0.15 0.30 0.04 0.58 -0.34 0.00 0.00 178.44 179.17 2x97 h VAL 509 N 0.08 0.87 -0.36 1.05 2.07 -1.15 -2.34 116.25 116.48 2x97 h VAL 509 Ca 0.05 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2x97 h VAL 509 Cb 0.16 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 2x97 h VAL 509 CO -0.00 0.02 -0.09 -1.28 0.02 0.00 0.00 177.57 176.24 2x97 h SER 510 N 0.14 -0.34 0.23 0.57 0.87 -1.03 0.14 113.55 114.12 2x97 h SER 510 Ca 0.12 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 2x97 h SER 510 Cb 0.12 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2x97 h SER 510 CO -0.16 -0.12 -0.05 -0.26 -0.53 0.00 0.00 176.83 175.71 2x97 h PHE 511 N -0.00 0.00 0.00 2.24 0.05 -0.83 0.44 116.94 118.84 2x97 h PHE 511 Ca 0.17 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.92 2x97 h PHE 511 Cb 0.26 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 2x97 h PHE 511 CO -0.33 0.05 -0.30 0.82 -0.18 0.00 0.00 178.31 178.36 2x97 h ILE 512 N 0.00 1.00 0.00 -0.55 2.04 -0.87 -3.39 117.51 115.73 2x97 h ILE 512 Ca -0.00 -1.85 -0.09 0.00 1.00 0.00 0.00 64.86 63.92 2x97 h ILE 512 Cb 0.17 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2x97 h ILE 512 CO 0.01 0.34 -0.42 0.16 0.00 0.00 0.00 178.15 178.23 2x97 h ILE 513 N -1.00 0.98 -0.04 -0.67 3.07 -0.48 -2.86 117.51 116.51 2x97 h ILE 513 Ca -0.07 -1.65 0.01 0.00 1.55 0.00 0.00 64.86 64.70 2x97 h ILE 513 Cb 0.77 1.98 -0.00 0.00 -0.27 0.00 0.00 36.82 39.30 2x97 h ILE 513 CO -0.04 0.41 0.04 0.06 -1.05 0.00 0.00 178.15 177.57 2x97 h GLN 514 N 0.00 0.00 -0.27 0.16 3.07 -0.32 0.11 115.11 117.86 2x97 h GLN 514 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.56 2x97 h GLN 514 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.51 2x97 h GLN 514 CO 0.05 0.00 -0.51 0.74 0.09 0.00 0.00 178.83 179.20 2x97 h PHE 515 N 0.00 0.96 -0.27 0.06 0.04 -1.70 0.20 116.94 116.24 2x97 h PHE 515 Ca 0.02 -0.33 0.04 0.00 2.80 0.00 0.00 57.97 60.50 2x97 h PHE 515 Cb 0.09 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 2x97 h PHE 515 CO 0.00 1.13 0.03 1.96 -0.60 0.00 0.00 178.31 180.83 2x97 h GLN 516 N 0.60 0.12 -0.36 1.51 4.20 -1.35 -0.95 115.11 118.88 2x97 h GLN 516 Ca 0.02 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2x97 h GLN 516 Cb 1.10 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 2x97 h GLN 516 CO 0.11 0.08 0.00 0.74 -0.67 0.00 0.00 178.83 179.09 2x97 h PHE 517 N 0.12 0.70 -0.22 2.96 0.05 -0.96 -2.48 116.94 117.11 2x97 h PHE 517 Ca 0.12 -0.12 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 2x97 h PHE 517 Cb 0.14 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 2x97 h PHE 517 CO -0.18 0.74 0.12 -0.92 -0.18 0.00 0.00 178.31 177.89 2x97 h TYR 518 N 0.46 0.30 -0.00 -0.55 3.20 -0.57 -0.15 116.97 119.65 2x97 h TYR 518 Ca 0.10 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.99 2x97 h TYR 518 Cb 0.46 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 2x97 h TYR 518 CO 0.04 0.26 -0.12 -0.22 -1.64 0.00 0.00 178.16 176.47 2x97 h LYS 519 N 0.25 -0.20 -0.67 1.82 3.64 -1.22 0.83 116.57 121.02 2x97 h LYS 519 Ca 0.08 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2x97 h LYS 519 Cb 0.06 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2x97 h LYS 519 CO -0.01 -0.13 0.38 0.77 -2.27 0.00 0.00 179.45 178.18 2x97 h SER 520 N -0.21 0.83 -0.79 4.20 0.02 -1.39 -0.38 113.55 115.83 2x97 h SER 520 Ca 0.04 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2x97 h SER 520 Cb 0.26 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2x97 h SER 520 CO -0.12 0.68 0.31 0.00 -1.14 0.00 0.00 176.83 176.55 2x97 h ALA 521 N 1.19 1.03 -0.46 3.77 0.00 -0.80 -0.64 119.26 123.35 2x97 h ALA 521 Ca 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2x97 h ALA 521 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2x97 h ALA 521 CO -0.04 0.67 0.03 0.00 0.00 0.00 0.00 179.25 179.90 2x97 h ILE 523 N 0.65 0.61 -0.99 0.00 2.04 -0.83 0.16 117.51 119.16 2x97 h ILE 523 Ca 0.13 -0.14 0.22 0.00 1.00 0.00 0.00 64.86 66.08 2x97 h ILE 523 Cb 0.46 0.68 -0.09 0.00 -0.74 0.00 0.00 36.82 37.13 2x97 h ILE 523 CO 0.02 0.03 0.63 0.11 0.00 0.00 0.00 178.15 178.93 2x97 h LYS 524 N -0.62 0.52 0.00 2.37 1.57 -1.06 0.25 116.57 119.61 2x97 h LYS 524 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2x97 h LYS 524 Cb 0.46 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2x97 h LYS 524 CO 0.09 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 2x97 n ALA 525 N -2.43 2.18 -1.11 3.86 0.00 -0.07 -4.72 120.51 118.22 2x97 n ALA 525 Ca 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 2x97 n ALA 525 Cb 0.71 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 2x97 n ALA 525 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x97 n GLY 526 N 0.87 0.67 0.14 0.00 0.00 0.88 -4.91 105.19 102.85 2x97 n GLY 526 Ca 0.09 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.44 2x97 n GLY 526 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x97 n GLN 527 N -2.79 0.86 -3.90 1.61 1.13 0.51 -4.88 117.38 109.92 2x97 n GLN 527 Ca -0.04 -0.30 -0.19 0.00 -1.94 0.00 0.00 57.00 54.54 2x97 n GLN 527 Cb 0.14 -1.41 -0.17 0.00 0.11 0.00 0.00 30.24 28.91 2x97 n GLN 527 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2x97 s TYR 528 N -2.65 0.41 -0.05 1.08 5.04 -1.12 -4.55 117.35 115.50 2x97 s TYR 528 Ca 0.10 -0.03 -0.02 0.00 -2.44 0.00 0.00 57.07 54.68 2x97 s TYR 528 Cb 0.15 -0.53 0.04 0.00 0.35 0.00 0.00 41.96 41.97 2x97 s TYR 528 CO 0.71 -0.18 0.09 0.34 -1.34 0.00 0.00 175.55 175.17 2x97 s ASP 529 N 1.32 0.83 0.58 4.32 3.68 -0.96 -4.45 116.67 121.99 2x97 s ASP 529 Ca -0.05 0.17 0.37 0.00 2.13 0.00 0.00 52.55 55.17 2x97 s ASP 529 Cb -0.13 0.02 1.80 0.00 -1.45 0.00 0.00 42.92 43.15 2x97 s ASP 529 CO -0.02 -0.23 2.12 1.55 0.13 0.00 0.00 175.17 178.72 2x97 h PRO 530 N 8.22 0.00 -0.58 4.34 0.13 -2.00 -1.67 132.00 140.45 2x97 h PRO 530 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2x97 h PRO 530 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2x97 h PRO 530 CO 0.20 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.72 2x97 n ASP 531 N -3.01 3.74 -4.00 1.44 8.00 -1.26 -4.83 116.55 116.63 2x97 n ASP 531 Ca -0.01 -2.00 -0.31 0.00 0.71 0.00 0.00 54.79 53.18 2x97 n ASP 531 Cb 0.19 -0.38 -0.15 0.00 -0.02 0.00 0.00 41.12 40.76 2x97 n ASP 531 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2x97 s ASN 532 N -1.21 4.32 0.63 -2.24 3.84 -0.63 -4.97 114.94 114.70 2x97 s ASN 532 Ca 0.44 -1.53 0.29 0.00 0.21 0.00 0.00 52.86 52.28 2x97 s ASN 532 Cb 0.24 -1.42 1.58 0.00 -0.55 0.00 0.00 41.25 41.10 2x97 s ASN 532 CO 0.32 -0.26 1.93 1.62 -2.79 0.00 0.00 177.10 177.92 2x97 h VAL 533 N 6.69 0.17 -0.00 -5.21 3.04 -1.88 0.22 116.25 119.28 2x97 h VAL 533 Ca -0.15 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 2x97 h VAL 533 Cb 1.04 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 2x97 h VAL 533 CO 0.46 0.00 -0.24 -0.62 -1.01 0.00 0.00 177.57 176.16 2x97 n GLU 534 N -3.26 0.42 -3.07 4.17 -0.58 -1.26 -4.30 120.64 112.76 2x97 n GLU 534 Ca 0.02 -0.19 -0.25 0.00 -0.42 0.00 0.00 57.16 56.33 2x97 n GLU 534 Cb 0.48 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.81 2x97 n GLU 534 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2x97 n LEU 535 N -1.13 3.28 -4.82 -4.62 4.77 0.76 -5.07 117.00 110.17 2x97 n LEU 535 Ca 0.10 -5.44 -0.33 0.00 -0.03 0.00 0.00 56.01 50.31 2x97 n LEU 535 Cb 0.32 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2x97 n LEU 535 CO 0.28 2.30 0.68 -2.16 -1.33 0.00 0.00 177.39 177.16 2x97 s PRO 536 N -3.00 3.94 0.29 3.23 0.04 -1.26 -2.27 135.00 135.97 2x97 s PRO 536 Ca 0.45 1.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 2x97 s PRO 536 Cb 0.28 -2.13 0.43 0.00 0.04 0.00 0.00 34.50 33.12 2x97 s PRO 536 CO -0.11 -0.28 1.93 1.25 0.04 0.00 0.00 177.00 179.83 2x97 h LEU 537 N 1.26 0.99 0.00 -3.56 5.85 -1.92 -1.91 115.31 116.03 2x97 h LEU 537 Ca -0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2x97 h LEU 537 Cb 1.19 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2x97 h LEU 537 CO 0.60 0.68 0.00 -0.90 -0.34 0.00 0.00 178.44 178.48 2x97 n ASP 538 N -4.44 0.00 -0.20 1.25 5.75 -1.26 -2.24 116.55 115.40 2x97 n ASP 538 Ca 0.12 -1.22 0.07 0.00 -0.01 0.00 0.00 54.79 53.76 2x97 n ASP 538 Cb 0.10 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.30 2x97 n ASP 538 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2x97 n ASN 539 N -0.85 1.74 -4.71 -1.12 5.15 -0.72 -4.81 115.26 109.95 2x97 n ASN 539 Ca 0.16 -2.83 -0.42 0.00 -0.60 0.00 0.00 54.58 50.88 2x97 n ASN 539 Cb 0.07 -0.37 -0.03 0.00 -0.53 0.00 0.00 39.78 38.92 2x97 n ASN 539 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x97 s ASP 541 N 1.46 3.96 0.00 0.00 3.68 -1.26 -4.54 116.67 119.97 2x97 s ASP 541 Ca 0.69 -1.03 0.13 0.00 2.13 0.00 0.00 52.55 54.46 2x97 s ASP 541 Cb -0.40 -1.55 0.44 0.00 -1.45 0.00 0.00 42.92 39.96 2x97 s ASP 541 CO 0.31 -0.11 1.33 2.30 0.13 0.00 0.00 175.17 179.13 2x97 n ILE 542 N 4.54 0.34 -1.74 4.11 -5.35 -1.26 -4.93 119.36 115.07 2x97 n ILE 542 Ca -0.17 -0.38 -0.42 0.00 -0.27 0.00 0.00 62.75 61.52 2x97 n ILE 542 Cb 0.46 0.23 -0.00 0.00 -1.74 0.00 0.00 39.64 38.59 2x97 n ILE 542 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x97 n TYR 543 N 0.33 2.61 -0.91 4.28 9.36 -1.26 -1.71 117.16 129.86 2x97 n TYR 543 Ca 0.12 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.83 2x97 n TYR 543 Cb 0.27 -2.47 0.00 0.00 -0.63 0.00 0.00 39.34 36.51 2x97 n TYR 543 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2x97 n GLY 544 N 0.62 0.50 3.42 2.98 0.00 -1.23 -4.97 105.19 106.50 2x97 n GLY 544 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 2x97 n GLY 544 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x97 s SER 545 N -2.34 6.20 0.34 1.61 0.15 -0.70 -4.75 113.70 114.21 2x97 s SER 545 Ca 0.00 -1.14 0.06 0.00 0.70 0.00 0.00 55.95 55.57 2x97 s SER 545 Cb 0.00 -2.34 0.73 0.00 -1.71 0.00 0.00 66.02 62.70 2x97 s SER 545 CO 0.00 -1.17 1.88 0.00 1.20 0.00 0.00 173.24 175.14 2x97 h ALA 546 N 9.27 1.72 -0.73 5.45 0.00 -1.76 -1.94 119.26 131.26 2x97 h ALA 546 Ca -0.29 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2x97 h ALA 546 Cb 1.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2x97 h ALA 546 CO 1.10 0.06 0.30 0.00 0.00 0.00 0.00 179.25 180.71 2x97 h ALA 547 N 1.58 0.95 -0.33 0.00 0.00 -1.88 0.89 119.26 120.47 2x97 h ALA 547 Ca 0.44 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 2x97 h ALA 547 Cb 0.57 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2x97 h ALA 547 CO -0.20 0.57 -0.37 0.00 0.00 0.00 0.00 179.25 179.25 2x97 h ALA 548 N 1.15 0.49 -0.26 0.00 0.00 -1.80 -2.95 119.26 115.89 2x97 h ALA 548 Ca 0.25 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2x97 h ALA 548 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2x97 h ALA 548 CO -0.02 0.57 -0.01 0.78 0.00 0.00 0.00 179.25 180.57 2x97 h GLY 549 N 0.61 0.41 0.97 0.00 0.00 -1.06 -2.57 103.07 101.43 2x97 h GLY 549 Ca 0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 2x97 h GLY 549 CO 0.09 0.21 0.13 0.00 0.00 0.00 0.00 176.54 176.97 2x97 h ALA 550 N 1.63 0.64 -0.45 3.60 0.00 -0.66 0.23 119.26 124.24 2x97 h ALA 550 Ca 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2x97 h ALA 550 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2x97 h ALA 550 CO 0.01 0.32 0.15 0.00 0.00 0.00 0.00 179.25 179.73 2x97 h ALA 551 N 0.99 0.59 -0.36 0.00 0.00 -1.33 -0.41 119.26 118.74 2x97 h ALA 551 Ca 0.15 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2x97 h ALA 551 Cb 0.31 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2x97 h ALA 551 CO -0.00 0.22 0.04 0.74 0.00 0.00 0.00 179.25 180.25 2x97 h PHE 552 N 0.58 0.05 -0.51 0.00 0.04 -1.30 -2.07 116.94 113.74 2x97 h PHE 552 Ca 0.15 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.99 2x97 h PHE 552 Cb 0.24 0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.38 2x97 h PHE 552 CO 0.01 -0.02 0.24 1.25 -0.60 0.00 0.00 178.31 179.19 2x97 h HIS 553 N 0.15 0.45 -0.30 -0.55 2.76 -0.26 0.11 115.15 117.51 2x97 h HIS 553 Ca 0.17 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2x97 h HIS 553 Cb 0.22 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 2x97 h HIS 553 CO -0.22 0.21 0.20 -0.91 -1.30 0.00 0.00 177.93 175.91 2x97 h ASN 554 N 0.48 0.28 0.00 3.26 2.35 -0.85 -1.67 115.58 119.43 2x97 h ASN 554 Ca 0.23 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.73 2x97 h ASN 554 Cb 0.15 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 2x97 h ASN 554 CO -0.17 0.20 -1.39 0.80 -1.65 0.00 0.00 177.43 175.21 2x97 n MET 555 N -4.49 0.55 0.15 0.81 1.56 -0.80 -4.29 117.12 110.61 2x97 n MET 555 Ca 0.02 0.50 0.03 0.00 -0.27 0.00 0.00 57.70 57.98 2x97 n MET 555 Cb 0.13 -1.68 0.41 0.00 2.15 0.00 0.00 33.22 34.22 2x97 n MET 555 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 2x97 h LEU 556 N -1.00 0.15 -1.60 -0.89 3.38 -0.81 -2.48 115.31 112.07 2x97 h LEU 556 Ca -0.36 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2x97 h LEU 556 Cb 1.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2x97 h LEU 556 CO -0.22 0.35 0.00 0.77 0.09 0.00 0.00 178.44 179.43 2x97 h SER 557 N 0.15 0.00 0.94 -0.43 4.64 -1.48 -2.26 113.55 115.11 2x97 h SER 557 Ca 0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2x97 h SER 557 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2x97 h SER 557 CO 0.03 0.00 -0.03 0.24 -0.87 0.00 0.00 176.83 176.20 2x97 h MET 558 N 0.00 0.00 0.00 4.77 2.86 -1.63 -3.41 114.93 117.52 2x97 h MET 558 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2x97 h MET 558 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2x97 h MET 558 CO 0.00 0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.41 2x97 n GLY 559 N -0.03 2.97 1.28 8.32 0.00 -0.85 -1.07 105.19 115.80 2x97 n GLY 559 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 2x97 n GLY 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x97 n ALA 560 N 8.96 4.03 0.30 4.61 0.00 -0.27 -3.35 120.51 134.79 2x97 n ALA 560 Ca 0.00 -2.74 0.19 0.00 0.00 0.00 0.00 53.44 50.89 2x97 n ALA 560 Cb 0.00 -0.86 0.90 0.00 0.00 0.00 0.00 19.45 19.49 2x97 n ALA 560 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x97 h SER 561 N 1.48 0.00 -4.92 0.00 4.64 -1.30 -3.44 113.55 110.01 2x97 h SER 561 Ca 0.19 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.33 2x97 h SER 561 Cb 1.79 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.71 2x97 h SER 561 CO 0.45 0.01 -0.70 -0.54 -0.87 0.00 0.00 176.83 175.18 2x97 s LYS 562 N -3.89 0.61 0.46 4.77 -0.14 -1.26 -5.00 119.74 115.28 2x97 s LYS 562 Ca -0.02 -1.06 -0.23 0.00 -1.36 0.00 0.00 55.97 53.30 2x97 s LYS 562 Cb 0.11 -0.02 -0.09 0.00 -1.68 0.00 0.00 37.83 36.15 2x97 s LYS 562 CO 0.49 -0.04 1.02 -2.30 -0.76 0.00 0.00 175.35 173.76 2x97 n PRO 563 N 0.57 1.31 0.01 -1.68 -0.02 -1.26 -4.75 135.00 129.18 2x97 n PRO 563 Ca -0.17 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 61.90 2x97 n PRO 563 Cb 0.59 -2.10 0.55 0.00 -0.02 0.00 0.00 33.50 32.51 2x97 n PRO 563 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2x97 h TRP 564 N 1.36 0.29 -0.04 6.00 5.08 -1.91 -0.58 115.95 126.14 2x97 h TRP 564 Ca -0.46 0.01 0.01 0.00 1.08 0.00 0.00 58.89 59.53 2x97 h TRP 564 Cb 1.34 -0.10 -0.00 0.00 -3.00 0.00 0.00 29.16 27.40 2x97 h TRP 564 CO 0.42 0.15 0.03 -1.35 -1.28 0.00 0.00 178.44 176.42 2x97 h PRO 565 N 0.29 0.00 -0.09 0.12 0.11 -1.90 -0.32 132.00 130.21 2x97 h PRO 565 Ca 0.20 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.20 2x97 h PRO 565 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2x97 h PRO 565 CO -0.04 0.00 -0.41 -0.44 -0.21 0.00 0.00 178.00 176.90 2x97 h ASP 566 N 0.00 0.21 -0.13 -2.05 3.45 -1.43 -0.85 116.42 115.62 2x97 h ASP 566 Ca 0.02 -0.09 -0.22 0.00 0.43 0.00 0.00 57.03 57.18 2x97 h ASP 566 Cb 0.09 -0.06 0.01 0.00 -0.56 0.00 0.00 39.33 38.81 2x97 h ASP 566 CO -0.00 0.60 -0.75 0.00 -1.57 0.00 0.00 179.24 177.53 2x97 h ALA 567 N 1.41 0.36 -0.60 3.45 0.00 -1.10 -2.14 119.26 120.64 2x97 h ALA 567 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2x97 h ALA 567 Cb 0.81 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2x97 h ALA 567 CO 0.06 0.69 0.38 1.25 0.00 0.00 0.00 179.25 181.63 2x97 h LEU 568 N 0.53 0.70 -1.14 0.00 5.85 -1.17 -2.76 115.31 117.33 2x97 h LEU 568 Ca -0.04 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2x97 h LEU 568 Cb 1.37 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 2x97 h LEU 568 CO 0.15 0.53 0.54 -0.08 -0.34 0.00 0.00 178.44 179.25 2x97 h GLU 569 N 0.81 1.12 -0.01 1.25 4.81 -0.13 -1.17 114.58 121.26 2x97 h GLU 569 Ca 0.22 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2x97 h GLU 569 Cb -0.06 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.07 2x97 h GLU 569 CO -0.04 0.76 -0.06 0.00 -0.73 0.00 0.00 179.01 178.94 2x97 h ALA 570 N 1.45 1.89 0.03 2.92 0.00 -1.12 0.12 119.26 124.55 2x97 h ALA 570 Ca 0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2x97 h ALA 570 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2x97 h ALA 570 CO -0.06 0.09 -0.02 0.35 0.00 0.00 0.00 179.25 179.61 2x97 h PHE 571 N 0.01 -0.04 0.00 0.00 3.57 -0.97 -3.42 116.94 116.09 2x97 h PHE 571 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2x97 h PHE 571 Cb 0.11 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2x97 h PHE 571 CO 0.00 0.56 0.00 0.27 -2.23 0.00 0.00 178.31 176.91 2x97 n ASN 572 N -4.73 0.00 0.00 0.41 0.23 -0.80 -4.85 115.26 105.53 2x97 n ASN 572 Ca -0.07 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.98 2x97 n ASN 572 Cb 0.30 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 2x97 n ASN 572 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x97 n GLY 573 N 0.00 1.01 3.95 4.83 0.00 0.42 -5.00 105.19 110.40 2x97 n GLY 573 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2x97 n GLY 573 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x97 s GLU 574 N -0.15 3.20 0.00 1.61 2.02 -1.26 -4.84 118.70 119.27 2x97 s GLU 574 Ca 0.00 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.05 2x97 s GLU 574 Cb 0.00 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.44 2x97 s GLU 574 CO 0.00 0.25 0.43 0.54 0.02 0.00 0.00 175.26 176.50 2x97 n ARG 575 N -1.47 0.08 -4.92 1.61 1.74 -1.26 -1.59 116.66 110.85 2x97 n ARG 575 Ca -0.05 -0.51 -0.32 0.00 -0.77 0.00 0.00 57.85 56.20 2x97 n ARG 575 Cb 0.58 -0.78 -0.16 0.00 -1.02 0.00 0.00 32.46 31.07 2x97 n ARG 575 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2x97 s ILE 576 N -0.16 2.21 0.13 0.55 1.01 -1.26 -4.66 121.20 119.02 2x97 s ILE 576 Ca 0.00 -0.95 -0.31 0.00 0.00 0.00 0.00 60.65 59.39 2x97 s ILE 576 Cb 0.00 -1.87 -0.09 0.00 0.01 0.00 0.00 42.46 40.51 2x97 s ILE 576 CO 0.00 0.55 1.44 -0.32 0.00 0.00 0.00 174.94 176.61 2x97 s MET 577 N 0.55 4.29 -0.08 2.79 -2.45 -1.26 -5.01 119.30 118.13 2x97 s MET 577 Ca -0.13 2.16 -0.08 0.00 -1.25 0.00 0.00 55.69 56.39 2x97 s MET 577 Cb -0.17 -3.22 0.02 0.00 1.25 0.00 0.00 34.83 32.72 2x97 s MET 577 CO 0.04 -0.48 0.23 0.45 1.05 0.00 0.00 175.02 176.31 2x97 s SER 578 N 1.07 -0.23 0.00 1.11 0.15 -1.26 -5.02 113.70 109.53 2x97 s SER 578 Ca 0.66 0.44 0.12 0.00 0.70 0.00 0.00 55.95 57.86 2x97 s SER 578 Cb -0.39 0.46 0.47 0.00 -1.71 0.00 0.00 66.02 64.85 2x97 s SER 578 CO 0.31 -0.09 1.34 0.61 1.20 0.00 0.00 173.24 176.61 2x97 n GLY 579 N 2.88 -0.08 0.25 9.45 0.00 -1.26 -4.20 105.19 112.23 2x97 n GLY 579 Ca -0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 2x97 n GLY 579 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2x97 h LYS 580 N 1.30 0.76 -0.30 1.61 3.64 -1.96 -2.11 116.57 119.51 2x97 h LYS 580 Ca 0.00 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2x97 h LYS 580 Cb 0.29 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2x97 h LYS 580 CO 0.00 0.50 -0.22 0.00 -2.27 0.00 0.00 179.45 177.47 2x97 h ALA 581 N 1.25 0.43 -0.46 5.00 0.00 -1.89 -1.30 119.26 122.29 2x97 h ALA 581 Ca 0.24 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2x97 h ALA 581 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2x97 h ALA 581 CO -0.08 0.39 -0.07 0.97 0.00 0.00 0.00 179.25 180.46 2x97 h ILE 582 N 0.43 1.25 -0.34 0.00 2.10 -1.82 -0.79 117.51 118.33 2x97 h ILE 582 Ca 0.06 -1.13 -0.05 0.00 1.08 0.00 0.00 64.86 64.82 2x97 h ILE 582 Cb 0.77 0.98 -0.02 0.00 -1.09 0.00 0.00 36.82 37.46 2x97 h ILE 582 CO 0.06 0.39 0.00 0.00 -1.08 0.00 0.00 178.15 177.52 2x97 h ALA 583 N 1.18 1.36 -0.30 0.18 0.00 -1.13 -2.55 119.26 117.99 2x97 h ALA 583 Ca 0.13 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2x97 h ALA 583 Cb 0.55 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2x97 h ALA 583 CO 0.03 0.44 -0.44 1.49 0.00 0.00 0.00 179.25 180.77 2x97 h GLU 584 N 0.51 0.83 -0.72 0.00 4.81 -0.79 0.42 114.58 119.64 2x97 h GLU 584 Ca 0.11 -0.49 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2x97 h GLU 584 Cb 0.33 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 2x97 h GLU 584 CO 0.01 1.13 0.47 -0.92 -0.73 0.00 0.00 179.01 178.97 2x97 h TYR 585 N 0.61 0.89 -0.01 0.92 3.20 -0.85 -2.93 116.97 118.78 2x97 h TYR 585 Ca 0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2x97 h TYR 585 Cb 1.04 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2x97 h TYR 585 CO 0.07 0.53 -0.22 1.19 -1.64 0.00 0.00 178.16 178.10 2x97 n PHE 586 N -4.61 0.00 -0.34 -3.82 3.72 -0.99 -4.48 117.46 106.94 2x97 n PHE 586 Ca 0.07 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.53 2x97 n PHE 586 Cb 0.05 -0.06 0.21 0.00 -0.94 0.00 0.00 39.48 38.75 2x97 n PHE 586 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2x97 h GLU 587 N 2.09 0.90 -0.74 -1.08 4.57 -0.72 0.10 114.58 119.70 2x97 h GLU 587 Ca 0.00 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2x97 h GLU 587 Cb 0.61 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 2x97 h GLU 587 CO 0.00 0.60 0.49 -1.35 -1.18 0.00 0.00 179.01 177.57 2x97 h PRO 588 N 0.93 0.95 -0.36 0.92 0.11 -1.81 -1.94 132.00 130.80 2x97 h PRO 588 Ca 0.46 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.45 2x97 h PRO 588 Cb 0.44 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2x97 h PRO 588 CO -0.26 0.63 -0.01 1.25 -0.21 0.00 0.00 178.00 179.40 2x97 h LEU 589 N 0.98 0.63 -0.32 2.35 5.85 -1.28 -2.37 115.31 121.15 2x97 h LEU 589 Ca 0.28 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2x97 h LEU 589 Cb -0.07 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2x97 h LEU 589 CO -0.07 0.79 0.12 -0.09 -0.34 0.00 0.00 178.44 178.86 2x97 h ARG 590 N 0.45 0.26 0.06 1.25 2.43 -0.55 0.13 114.38 118.41 2x97 h ARG 590 Ca 0.10 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2x97 h ARG 590 Cb 0.48 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2x97 h ARG 590 CO 0.02 0.17 -0.03 0.28 -1.51 0.00 0.00 179.97 178.91 2x97 h VAL 591 N 0.27 0.97 -0.27 0.20 2.07 -1.35 -1.37 116.25 116.77 2x97 h VAL 591 Ca 0.14 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2x97 h VAL 591 Cb 0.10 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2x97 h VAL 591 CO -0.13 0.02 0.17 -0.25 0.02 0.00 0.00 177.57 177.39 2x97 h TRP 592 N -0.11 0.32 -0.49 1.57 7.01 -1.23 -3.00 115.95 120.02 2x97 h TRP 592 Ca -0.01 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.94 2x97 h TRP 592 Cb 0.09 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 2x97 h TRP 592 CO -0.06 0.19 0.05 1.25 -2.79 0.00 0.00 178.44 177.08 2x97 h LEU 593 N 0.34 0.80 -1.07 0.65 5.85 -0.64 0.12 115.31 121.36 2x97 h LEU 593 Ca 0.10 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2x97 h LEU 593 Cb -0.02 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2x97 h LEU 593 CO -0.04 0.88 0.41 -0.33 -0.34 0.00 0.00 178.44 179.02 2x97 h GLU 594 N 0.69 1.06 -0.03 1.25 5.08 -1.26 0.19 114.58 121.56 2x97 h GLU 594 Ca 0.14 -0.12 -0.23 0.00 -1.00 0.00 0.00 59.36 58.15 2x97 h GLU 594 Cb 0.44 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2x97 h GLU 594 CO 0.02 0.78 -0.92 0.00 -1.00 0.00 0.00 179.01 177.89 2x97 h ALA 595 N 1.39 0.33 -0.43 3.43 0.00 -1.33 -2.59 119.26 120.07 2x97 h ALA 595 Ca 0.27 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2x97 h ALA 595 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2x97 h ALA 595 CO -0.04 0.76 -0.26 1.49 0.00 0.00 0.00 179.25 181.21 2x97 h GLU 596 N 0.31 0.89 -0.48 0.00 4.57 -0.25 0.91 114.58 120.54 2x97 h GLU 596 Ca -0.08 -0.39 -0.10 0.00 -1.18 0.00 0.00 59.36 57.61 2x97 h GLU 596 Cb 1.55 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.10 2x97 h GLU 596 CO 0.17 1.04 -0.10 -0.91 -1.18 0.00 0.00 179.01 178.03 2x97 h ASN 597 N 0.76 0.87 -0.35 1.04 2.35 -0.92 -1.90 115.58 117.42 2x97 h ASN 597 Ca 0.09 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 2x97 h ASN 597 Cb 0.81 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2x97 h ASN 597 CO 0.07 0.98 0.00 0.40 -1.65 0.00 0.00 177.43 177.23 2x97 h ILE 598 N 0.79 1.26 -0.90 2.81 2.04 -1.24 0.25 117.51 122.51 2x97 h ILE 598 Ca 0.13 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 65.09 2x97 h ILE 598 Cb 0.61 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 2x97 h ILE 598 CO 0.04 0.32 0.59 0.50 0.00 0.00 0.00 178.15 179.60 2x97 h LYS 599 N 0.43 0.96 -0.64 2.37 3.64 -0.69 -1.36 116.57 121.28 2x97 h LYS 599 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2x97 h LYS 599 Cb 0.45 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2x97 h LYS 599 CO 0.02 0.63 0.00 0.09 -2.27 0.00 0.00 179.45 177.92 2x97 n ASN 600 N -4.51 3.83 -3.78 4.20 3.02 -0.73 -4.98 115.26 112.33 2x97 n ASN 600 Ca 0.14 -2.00 -0.24 0.00 -0.03 0.00 0.00 54.58 52.45 2x97 n ASN 600 Cb 0.23 -0.43 0.03 0.00 -0.61 0.00 0.00 39.78 39.00 2x97 n ASN 600 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2x97 n ASN 601 N 1.63 -1.98 -4.72 6.41 5.15 -0.01 -4.89 115.26 116.84 2x97 n ASN 601 Ca 0.23 -0.83 -0.40 0.00 -0.60 0.00 0.00 54.58 52.98 2x97 n ASN 601 Cb 0.62 -3.92 -0.04 0.00 -0.53 0.00 0.00 39.78 35.91 2x97 n ASN 601 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2x97 s VAL 602 N -3.61 4.94 0.19 3.44 1.01 0.67 -4.99 120.40 122.06 2x97 s VAL 602 Ca 0.17 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.46 2x97 s VAL 602 Cb -0.08 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 2x97 s VAL 602 CO 0.82 0.26 1.12 -2.28 0.00 0.00 0.00 175.10 175.03 2x97 s HIS 603 N 0.65 3.55 -0.09 5.22 2.46 -1.26 -4.88 115.29 120.94 2x97 s HIS 603 Ca 0.41 1.57 0.01 0.00 0.47 0.00 0.00 55.06 57.51 2x97 s HIS 603 Cb -0.19 -3.32 -0.02 0.00 -0.13 0.00 0.00 32.58 28.92 2x97 s HIS 603 CO 0.21 -0.75 -0.11 0.42 -2.47 0.00 0.00 174.74 172.05 2x97 s ILE 604 N -0.33 3.34 0.00 0.89 -1.09 -1.26 -4.65 121.20 118.10 2x97 s ILE 604 Ca 0.49 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 2x97 s ILE 604 Cb -0.31 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 2x97 s ILE 604 CO 0.36 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 175.24 2x97 n GLY 605 N 2.79 0.25 3.38 6.18 0.00 -1.26 -5.09 105.19 111.44 2x97 n GLY 605 Ca -0.18 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 43.69 2x97 n GLY 605 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2x97 s TRP 606 N -1.20 -0.42 0.41 1.61 -2.14 -1.26 -4.79 118.94 111.15 2x97 s TRP 606 Ca 0.00 0.73 -0.15 0.00 2.66 0.00 0.00 56.10 59.34 2x97 s TRP 606 Cb 0.00 0.24 -0.08 0.00 -3.10 0.00 0.00 33.47 30.53 2x97 s TRP 606 CO 0.00 -0.48 0.84 0.95 -2.66 0.00 0.00 176.95 175.60 2x97 s THR 607 N -1.17 4.64 0.19 0.66 -4.23 -0.72 -4.93 115.64 110.08 2x97 s THR 607 Ca -0.12 0.98 -0.33 0.00 -1.18 0.00 0.00 61.69 61.05 2x97 s THR 607 Cb -0.03 -3.68 -0.14 0.00 1.34 0.00 0.00 72.50 70.00 2x97 s THR 607 CO 0.07 -0.44 1.44 0.41 -0.54 0.00 0.00 174.62 175.56 2x97 n THR 608 N -1.02 0.52 -1.74 3.99 -1.04 -1.26 -4.11 114.28 109.62 2x97 n THR 608 Ca 0.04 -0.13 -0.39 0.00 -2.04 0.00 0.00 64.05 61.53 2x97 n THR 608 Cb 0.54 -1.39 0.03 0.00 -1.82 0.00 0.00 70.33 67.69 2x97 n THR 608 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2x97 n SER 609 N 2.63 2.85 -0.91 8.00 2.88 -1.26 -4.95 113.62 122.86 2x97 n SER 609 Ca 0.14 1.04 0.04 0.00 -1.33 0.00 0.00 58.87 58.76 2x97 n SER 609 Cb 0.29 -1.57 0.23 0.00 -0.75 0.00 0.00 64.21 62.40 2x97 n SER 609 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2x97 n ASN 610 N -0.56 3.23 -0.43 -3.46 3.02 -1.26 -4.67 115.26 111.13 2x97 n ASN 610 Ca 0.08 -3.29 0.13 0.00 -0.03 0.00 0.00 54.58 51.47 2x97 n ASN 610 Cb 0.43 -0.57 0.54 0.00 -0.61 0.00 0.00 39.78 39.57 2x97 n ASN 610 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2x97 n LYS 611 N -0.83 1.59 -3.76 3.52 4.76 -1.26 -4.62 118.16 117.55 2x97 n LYS 611 Ca 0.25 -0.86 -0.29 0.00 -2.87 0.00 0.00 58.31 54.54 2x97 n LYS 611 Cb 0.92 -1.46 -0.16 0.00 -1.84 0.00 0.00 35.03 32.50 2x97 n LYS 611 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x97 s VAL 613 N 1.70 4.58 -2.41 0.00 1.01 -0.17 -4.96 120.40 120.16 2x97 s VAL 613 Ca 0.02 1.89 0.29 0.00 0.00 0.00 0.00 61.98 64.18 2x97 s VAL 613 Cb -0.17 -4.22 0.62 0.00 0.00 0.00 0.00 36.38 32.60 2x97 s VAL 613 CO -0.15 -0.09 1.83 -1.20 0.00 0.00 0.00 175.10 175.49