#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wla s THR 4 N 0.00 2.71 0.20 -0.44 -4.23 -1.26 -4.82 115.64 107.80 2wla s THR 4 Ca 0.00 0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.63 2wla s THR 4 Cb 0.00 -2.58 0.12 0.00 1.34 0.00 0.00 72.50 71.38 2wla s THR 4 CO 0.00 -0.30 1.84 0.25 -0.54 0.00 0.00 174.62 175.87 2wla h LEU 5 N -1.56 0.65 -0.49 4.79 5.85 -2.01 -1.54 115.31 120.99 2wla h LEU 5 Ca -0.47 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.32 2wla h LEU 5 Cb 1.27 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 2wla h LEU 5 CO 0.50 0.45 0.16 0.58 -0.34 0.00 0.00 178.44 179.80 2wla h VAL 6 N 0.78 0.81 -0.66 1.05 2.07 -1.93 0.56 116.25 118.94 2wla h VAL 6 Ca 0.26 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 2wla h VAL 6 Cb 0.02 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2wla h VAL 6 CO -0.10 0.06 0.19 -0.33 0.02 0.00 0.00 177.57 177.41 2wla h GLU 7 N 0.33 1.03 -0.36 1.57 5.08 -1.85 -1.05 114.58 119.34 2wla h GLU 7 Ca 0.24 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wla h GLU 7 Cb 0.27 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2wla h GLU 7 CO -0.25 0.91 0.17 -0.91 -1.00 0.00 0.00 179.01 177.92 2wla h ASN 8 N 0.96 0.48 -0.17 1.42 2.35 -0.90 -1.82 115.58 117.89 2wla h ASN 8 Ca 0.21 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2wla h ASN 8 Cb 0.32 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2wla h ASN 8 CO -0.00 0.48 0.10 0.40 -1.65 0.00 0.00 177.43 176.76 2wla h ILE 9 N 0.44 1.09 -0.27 2.81 2.04 -0.75 -2.04 117.51 120.83 2wla h ILE 9 Ca 0.12 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.82 2wla h ILE 9 Cb 0.13 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 2wla h ILE 9 CO -0.01 0.08 -0.05 0.22 0.00 0.00 0.00 178.15 178.38 2wla h TYR 10 N 0.20 -0.12 -0.88 1.37 3.20 -1.12 0.61 116.97 120.23 2wla h TYR 10 Ca 0.06 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2wla h TYR 10 Cb 0.04 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 2wla h TYR 10 CO -0.05 -0.10 0.54 0.00 -1.64 0.00 0.00 178.16 176.91 2wla h ALA 11 N 1.27 1.12 -0.26 1.82 0.00 -1.26 -1.79 119.26 120.15 2wla h ALA 11 Ca 0.13 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2wla h ALA 11 Cb 0.19 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2wla h ALA 11 CO -0.27 0.57 -0.35 1.03 0.00 0.00 0.00 179.25 180.24 2wla h SER 12 N 1.21 0.75 -0.58 0.00 0.87 -0.87 -2.60 113.55 112.33 2wla h SER 12 Ca 0.32 -0.50 -0.08 0.00 -1.23 0.00 0.00 61.79 60.29 2wla h SER 12 Cb -0.06 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 2wla h SER 12 CO -0.06 1.11 0.06 0.58 -0.53 0.00 0.00 176.83 177.99 2wla h VAL 13 N 0.42 1.26 -0.47 2.23 2.07 -0.71 -3.18 116.25 117.86 2wla h VAL 13 Ca 0.03 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2wla h VAL 13 Cb 0.93 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2wla h VAL 13 CO 0.08 0.38 0.00 0.35 0.02 0.00 0.00 177.57 178.40 2wla n THR 14 N -4.21 0.61 0.41 2.57 -2.24 -0.69 -4.58 114.28 106.16 2wla n THR 14 Ca 0.04 -0.75 -0.16 0.00 -2.27 0.00 0.00 64.05 60.91 2wla n THR 14 Cb 0.30 0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 2wla n THR 14 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2wla h HIS 15 N 3.95 -0.99 0.24 4.78 2.76 -1.44 -3.50 115.15 120.95 2wla h HIS 15 Ca 0.00 -0.02 -0.34 0.00 -2.20 0.00 0.00 60.37 57.81 2wla h HIS 15 Cb 0.88 0.33 0.03 0.00 1.55 0.00 0.00 27.41 30.20 2wla h HIS 15 CO 0.31 -0.61 -1.54 -0.91 -1.30 0.00 0.00 177.93 173.87 2wla h ASN 16 N -1.29 0.80 -0.13 3.26 2.35 -1.81 -3.52 115.58 115.24 2wla h ASN 16 Ca -0.11 -0.91 0.00 0.00 -0.55 0.00 0.00 56.30 54.73 2wla h ASN 16 Cb 0.82 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2wla h ASN 16 CO 0.18 1.73 0.00 -1.54 -1.65 0.00 0.00 177.43 176.14 2wla n SER 23 N -3.69 0.00 0.00 5.81 3.41 -1.26 -5.16 113.62 112.73 2wla n SER 23 Ca -0.18 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.54 2wla n SER 23 Cb 1.10 -0.45 0.54 0.00 -0.26 0.00 0.00 64.21 65.15 2wla n SER 23 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2wla n LYS 24 N -0.51 0.24 -1.11 4.33 0.00 -1.26 -3.45 118.16 116.40 2wla n LYS 24 Ca 0.00 0.09 0.03 0.00 -0.00 0.00 0.00 58.31 58.42 2wla n LYS 24 Cb 0.32 -1.50 0.12 0.00 -0.00 0.00 0.00 35.03 33.97 2wla n LYS 24 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2wla n ASN 25 N -1.34 1.69 -0.27 -5.58 6.94 -1.26 -4.85 115.26 110.60 2wla n ASN 25 Ca 0.09 -3.16 -0.06 0.00 -0.02 0.00 0.00 54.58 51.43 2wla n ASN 25 Cb 0.20 -0.44 0.05 0.00 -2.36 0.00 0.00 39.78 37.24 2wla n ASN 25 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 2wla h GLU 26 N 1.16 1.12 -0.36 -3.83 4.39 -2.00 -1.71 114.58 113.35 2wla h GLU 26 Ca -0.06 -0.21 -0.15 0.00 0.34 0.00 0.00 59.36 59.28 2wla h GLU 26 Cb 1.36 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2wla h GLU 26 CO 0.10 0.93 -0.37 0.87 -1.16 0.00 0.00 179.01 179.37 2wla h LYS 27 N 1.07 0.85 -0.48 2.33 1.57 -1.89 -1.92 116.57 118.10 2wla h LYS 27 Ca 0.24 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2wla h LYS 27 Cb 0.24 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2wla h LYS 27 CO -0.02 1.07 0.25 1.15 -0.57 0.00 0.00 179.45 181.34 2wla h THR 28 N 0.70 1.18 -0.86 -0.16 2.02 -1.84 -1.41 112.91 112.54 2wla h THR 28 Ca 0.06 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 2wla h THR 28 Cb 0.94 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 2wla h THR 28 CO 0.09 0.19 0.42 0.11 0.37 0.00 0.00 175.52 176.69 2wla h LYS 29 N 0.64 1.24 -0.62 6.66 1.57 -1.24 -1.94 116.57 122.88 2wla h LYS 29 Ca 0.17 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2wla h LYS 29 Cb 0.07 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 2wla h LYS 29 CO -0.03 0.95 0.17 0.00 -0.57 0.00 0.00 179.45 179.97 2wla h ALA 30 N 1.23 0.81 -0.07 3.86 0.00 -1.10 -1.02 119.26 122.98 2wla h ALA 30 Ca 0.30 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 2wla h ALA 30 Cb 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2wla h ALA 30 CO -0.04 0.51 -0.83 -0.24 0.00 0.00 0.00 179.25 178.66 2wla h VAL 31 N 0.90 1.35 -0.57 0.00 3.04 -1.12 -0.87 116.25 118.99 2wla h VAL 31 Ca 0.20 -2.20 0.02 0.00 -1.01 0.00 0.00 66.70 63.70 2wla h VAL 31 Cb 0.33 2.19 -0.03 0.00 -2.01 0.00 0.00 31.29 31.77 2wla h VAL 31 CO -0.00 0.67 0.36 -0.07 -1.01 0.00 0.00 177.57 177.51 2wla h LEU 32 N 0.33 0.59 -0.93 3.16 3.38 -1.31 -1.65 115.31 118.89 2wla h LEU 32 Ca -0.06 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2wla h LEU 32 Cb 1.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2wla h LEU 32 CO 0.15 0.42 -0.21 -1.13 0.09 0.00 0.00 178.44 177.76 2wla h ASN 33 N 0.71 0.54 -0.81 -0.43 -0.00 -0.98 -0.89 115.58 113.72 2wla h ASN 33 Ca 0.22 -0.17 0.01 0.00 -0.00 0.00 0.00 56.30 56.36 2wla h ASN 33 Cb -0.02 -0.15 -0.04 0.00 -0.00 0.00 0.00 38.32 38.12 2wla h ASN 33 CO -0.08 0.76 0.54 -0.61 -0.00 0.00 0.00 177.43 178.03 2wla h GLN 34 N 0.48 1.07 -0.40 6.67 5.75 -0.94 -2.40 115.11 125.34 2wla h GLN 34 Ca 0.08 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 2wla h GLN 34 Cb 0.63 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 2wla h GLN 34 CO 0.05 0.71 -0.04 0.00 -2.65 0.00 0.00 178.83 176.89 2wla h ALA 35 N 1.30 1.18 -0.11 3.38 0.00 -0.58 -0.50 119.26 123.92 2wla h ALA 35 Ca 0.30 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2wla h ALA 35 Cb -0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 2wla h ALA 35 CO -0.06 0.53 -0.13 0.28 0.00 0.00 0.00 179.25 179.86 2wla h VAL 36 N 0.61 0.64 -0.17 0.00 2.07 -0.70 0.10 116.25 118.79 2wla h VAL 36 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 2wla h VAL 36 Cb 0.45 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2wla h VAL 36 CO 0.02 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.68 2wla h ALA 37 N 0.88 0.23 -0.53 1.67 0.00 -1.20 -2.33 119.26 117.97 2wla h ALA 37 Ca 0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2wla h ALA 37 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2wla h ALA 37 CO -0.21 -0.18 -0.04 -0.44 0.00 0.00 0.00 179.25 178.37 2wla h ASP 38 N 0.12 0.92 -0.34 0.00 3.32 -0.98 -1.97 116.42 117.50 2wla h ASP 38 Ca 0.06 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.74 2wla h ASP 38 Cb 0.18 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2wla h ASP 38 CO -0.00 1.00 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.27 2wla h LEU 39 N 0.86 0.81 -0.54 1.55 3.38 -0.98 0.21 115.31 120.59 2wla h LEU 39 Ca 0.15 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2wla h LEU 39 Cb 0.56 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2wla h LEU 39 CO 0.03 0.97 0.11 0.28 0.09 0.00 0.00 178.44 179.93 2wla h SER 40 N 0.71 0.85 -0.24 -0.43 0.02 -1.25 -0.70 113.55 112.50 2wla h SER 40 Ca 0.11 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 2wla h SER 40 Cb 0.68 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2wla h SER 40 CO 0.05 0.88 -0.12 0.58 -1.14 0.00 0.00 176.83 177.08 2wla h VAL 41 N 0.78 1.30 -0.72 2.27 2.07 -1.21 -2.74 116.25 118.00 2wla h VAL 41 Ca 0.17 -1.19 0.08 0.00 0.82 0.00 0.00 66.70 66.58 2wla h VAL 41 Cb 0.38 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 2wla h VAL 41 CO 0.01 0.37 0.38 0.00 0.02 0.00 0.00 177.57 178.34 2wla h ALA 42 N 0.72 0.99 -0.67 1.67 0.00 -0.49 -0.95 119.26 120.53 2wla h ALA 42 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2wla h ALA 42 Cb 0.62 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2wla h ALA 42 CO 0.04 0.01 0.44 0.00 0.00 0.00 0.00 179.25 179.73 2wla h ALA 43 N 1.41 0.85 -0.40 0.00 0.00 -1.10 -0.67 119.26 119.34 2wla h ALA 43 Ca 0.34 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2wla h ALA 43 Cb 0.31 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2wla h ALA 43 CO -0.24 0.28 0.24 1.03 0.00 0.00 0.00 179.25 180.56 2wla h SER 44 N 0.90 0.40 -0.47 0.00 0.87 -1.05 -0.62 113.55 113.57 2wla h SER 44 Ca 0.24 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2wla h SER 44 Cb -0.10 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 2wla h SER 44 CO -0.05 0.29 0.28 0.40 -0.53 0.00 0.00 176.83 177.21 2wla h ILE 45 N 0.49 1.15 -0.64 2.23 2.04 -0.90 -0.96 117.51 120.93 2wla h ILE 45 Ca 0.16 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 2wla h ILE 45 Cb -0.01 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2wla h ILE 45 CO -0.07 0.16 0.26 0.58 0.00 0.00 0.00 178.15 179.08 2wla h VAL 46 N 0.63 1.23 -1.00 1.67 2.07 -0.91 -2.28 116.25 117.66 2wla h VAL 46 Ca 0.17 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.98 2wla h VAL 46 Cb 0.01 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2wla h VAL 46 CO -0.03 0.28 0.66 -0.74 0.02 0.00 0.00 177.57 177.77 2wla h HIS 47 N 0.89 1.26 -0.81 1.57 6.17 -0.86 -1.62 115.15 121.75 2wla h HIS 47 Ca 0.21 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.35 2wla h HIS 47 Cb 0.19 -0.43 -0.05 0.00 2.52 0.00 0.00 27.41 29.65 2wla h HIS 47 CO 0.01 0.79 0.52 0.37 0.71 0.00 0.00 177.93 180.33 2wla h GLN 48 N 1.35 1.00 -0.36 5.26 4.15 -0.70 -1.65 115.11 124.17 2wla h GLN 48 Ca 0.37 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 2wla h GLN 48 Cb -0.14 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.30 2wla h GLN 48 CO -0.08 0.66 0.19 0.28 -1.93 0.00 0.00 178.83 177.95 2wla h VAL 49 N 1.03 1.15 -0.84 2.39 2.07 -0.84 -0.72 116.25 120.48 2wla h VAL 49 Ca 0.32 -0.38 0.17 0.00 0.82 0.00 0.00 66.70 67.62 2wla h VAL 49 Cb -0.02 0.74 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 2wla h VAL 49 CO -0.10 0.15 0.39 -0.74 0.02 0.00 0.00 177.57 177.29 2wla h HIS 50 N 0.45 0.67 0.15 1.57 -0.00 -0.82 -2.44 115.15 114.74 2wla h HIS 50 Ca 0.13 0.04 -0.25 0.00 -0.00 0.00 0.00 60.37 60.29 2wla h HIS 50 Cb 0.07 -0.17 0.02 0.00 -0.00 0.00 0.00 27.41 27.32 2wla h HIS 50 CO -0.03 0.09 -1.16 -1.49 -0.00 0.00 0.00 177.93 175.34 2wla h TRP 51 N 0.52 0.59 0.00 5.26 6.55 -1.01 -3.40 115.95 124.46 2wla h TRP 51 Ca 0.48 -0.43 0.00 0.00 0.95 0.00 0.00 58.89 59.89 2wla h TRP 51 Cb 0.76 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.03 2wla h TRP 51 CO -0.12 1.45 -1.03 0.66 -1.05 0.00 0.00 178.44 178.35 2wla n TYR 52 N -3.97 0.31 -1.74 0.49 4.01 -0.30 -4.97 117.16 110.98 2wla n TYR 52 Ca -0.19 0.09 -0.42 0.00 -0.16 0.00 0.00 57.90 57.23 2wla n TYR 52 Cb 0.90 -0.48 -0.01 0.00 -0.31 0.00 0.00 39.34 39.45 2wla n TYR 52 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2wla n MET 53 N -2.02 2.58 -3.94 -0.72 1.56 -0.92 -4.52 117.12 109.14 2wla n MET 53 Ca 0.02 0.91 -0.12 0.00 -0.27 0.00 0.00 57.70 58.24 2wla n MET 53 Cb 0.45 -2.65 -0.14 0.00 2.15 0.00 0.00 33.22 33.03 2wla n MET 53 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2wla s ARG 54 N -1.16 0.13 0.00 2.12 0.52 -1.26 -5.05 118.95 114.24 2wla s ARG 54 Ca 0.60 -0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.67 2wla s ARG 54 Cb -0.51 -0.07 0.00 0.00 0.52 0.00 0.00 34.95 34.89 2wla s ARG 54 CO 0.55 0.01 0.00 0.41 0.02 0.00 0.00 175.30 176.29 2wla n GLY 55 N 2.81 3.69 3.66 -3.53 0.00 -1.26 -4.27 105.19 106.28 2wla n GLY 55 Ca -0.14 -1.70 -0.45 0.00 0.00 0.00 0.00 46.02 43.72 2wla n GLY 55 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wla n PRO 56 N -1.78 1.90 0.00 1.61 -0.02 -1.26 -1.57 135.00 133.88 2wla n PRO 56 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2wla n PRO 56 Cb 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 2wla n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wla n GLY 57 N 2.17 1.14 0.33 -1.23 0.00 -1.26 -4.96 105.19 101.38 2wla n GLY 57 Ca 0.12 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.30 2wla n GLY 57 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wla h PHE 58 N 0.00 0.21 0.00 1.61 3.57 -1.68 -0.34 116.94 120.31 2wla h PHE 58 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2wla h PHE 58 Cb 0.00 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2wla h PHE 58 CO 0.00 -0.36 0.00 -0.07 -2.23 0.00 0.00 178.31 175.65 2wla h LEU 59 N 0.08 0.00 0.00 0.59 3.38 -1.93 0.99 115.31 118.42 2wla h LEU 59 Ca 0.61 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.41 2wla h LEU 59 Cb 1.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 2wla h LEU 59 CO -0.80 0.00 -1.95 0.00 0.09 0.00 0.00 178.44 175.78 2wla n TYR 60 N -3.03 0.00 0.08 1.13 0.18 -0.71 -4.52 117.16 110.30 2wla n TYR 60 Ca -0.00 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.63 2wla n TYR 60 Cb 0.25 -0.61 -0.08 0.00 -0.38 0.00 0.00 39.34 38.51 2wla n TYR 60 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 2wla h LEU 61 N 0.00 0.54 0.04 -3.48 3.38 -0.75 -2.82 115.31 112.22 2wla h LEU 61 Ca -0.25 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.26 2wla h LEU 61 Cb 1.47 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 2wla h LEU 61 CO 0.01 1.31 -0.16 -0.74 0.09 0.00 0.00 178.44 178.95 2wla h HIS 62 N 0.19 -0.42 0.00 1.13 2.76 -1.04 -1.54 115.15 116.23 2wla h HIS 62 Ca -0.11 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 57.98 2wla h HIS 62 Cb 1.73 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 30.86 2wla h HIS 62 CO 0.07 -0.24 -0.43 -1.00 -1.30 0.00 0.00 177.93 175.03 2wla h PRO 63 N -0.29 0.00 -0.94 5.26 0.13 -1.79 -2.58 132.00 131.79 2wla h PRO 63 Ca 0.04 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.29 2wla h PRO 63 Cb 0.33 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.39 2wla h PRO 63 CO -0.13 0.43 0.60 -0.22 -0.23 0.00 0.00 178.00 178.45 2wla h LYS 64 N 0.00 0.86 -0.59 0.86 1.63 -1.19 -1.82 116.57 116.32 2wla h LYS 64 Ca -0.00 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.69 2wla h LYS 64 Cb 0.77 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.18 2wla h LYS 64 CO 0.06 0.57 0.17 0.52 -3.45 0.00 0.00 179.45 177.31 2wla h MET 65 N 0.89 0.91 -0.78 1.90 2.86 -0.88 -1.37 114.93 118.46 2wla h MET 65 Ca 0.45 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.92 2wla h MET 65 Cb 0.51 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 2wla h MET 65 CO -0.22 0.79 0.51 0.22 1.06 0.00 0.00 176.91 179.28 2wla h ASP 66 N 0.87 0.90 -0.35 1.22 -0.00 -1.30 0.51 116.42 118.27 2wla h ASP 66 Ca 0.19 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.03 57.15 2wla h ASP 66 Cb 0.28 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.37 2wla h ASP 66 CO -0.01 0.65 0.03 -0.33 -0.00 0.00 0.00 179.24 179.59 2wla h GLU 67 N 1.05 0.60 -0.75 0.28 5.08 -0.94 -1.11 114.58 118.81 2wla h GLU 67 Ca 0.28 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2wla h GLU 67 Cb -0.12 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2wla h GLU 67 CO -0.06 0.70 0.37 -0.07 -1.00 0.00 0.00 179.01 178.94 2wla h LEU 68 N 0.43 0.97 -0.18 1.33 3.38 -1.08 -1.83 115.31 118.33 2wla h LEU 68 Ca 0.10 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2wla h LEU 68 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2wla h LEU 68 CO 0.01 0.83 0.10 0.25 0.09 0.00 0.00 178.44 179.72 2wla h LEU 69 N 1.05 0.22 -0.76 1.67 5.85 -0.75 0.24 115.31 122.83 2wla h LEU 69 Ca 0.26 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.95 2wla h LEU 69 Cb 0.11 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2wla h LEU 69 CO -0.03 0.23 0.47 0.44 -0.34 0.00 0.00 178.44 179.20 2wla h ASP 70 N 0.20 0.74 -0.58 1.25 3.32 -1.06 -0.55 116.42 119.74 2wla h ASP 70 Ca 0.06 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 2wla h ASP 70 Cb 0.06 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2wla h ASP 70 CO -0.01 0.49 0.12 -1.28 -1.72 0.00 0.00 179.24 176.84 2wla h SER 71 N 0.87 0.90 -0.58 6.45 0.87 -0.94 -1.25 113.55 119.87 2wla h SER 71 Ca 0.32 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2wla h SER 71 Cb 0.11 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2wla h SER 71 CO -0.15 0.91 0.17 -0.07 -0.53 0.00 0.00 176.83 177.16 2wla h LEU 72 N 0.84 0.85 -1.29 2.23 3.38 -0.52 -1.61 115.31 119.20 2wla h LEU 72 Ca 0.18 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2wla h LEU 72 Cb 0.38 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2wla h LEU 72 CO 0.01 0.84 -0.20 0.78 0.09 0.00 0.00 178.44 179.96 2wla h ASN 73 N 0.82 0.22 -0.43 -0.43 2.35 -0.92 -0.65 115.58 116.55 2wla h ASN 73 Ca 0.19 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 2wla h ASN 73 Cb 0.30 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2wla h ASN 73 CO -0.00 0.44 -0.16 0.00 -1.65 0.00 0.00 177.43 176.05 2wla h ALA 74 N 1.59 0.60 -0.58 -0.83 0.00 -1.02 -1.53 119.26 117.49 2wla h ALA 74 Ca 0.04 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.63 2wla h ALA 74 Cb 0.48 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2wla h ALA 74 CO 0.03 0.54 0.33 -0.91 0.00 0.00 0.00 179.25 179.24 2wla h ASN 75 N 0.71 0.51 -0.47 0.00 -0.26 -0.82 -1.98 115.58 113.26 2wla h ASN 75 Ca 0.10 0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.88 2wla h ASN 75 Cb 0.72 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.87 2wla h ASN 75 CO 0.05 0.35 0.29 0.25 -1.06 0.00 0.00 177.43 177.31 2wla h LEU 76 N 0.63 0.47 -0.32 1.61 5.85 -0.92 0.02 115.31 122.66 2wla h LEU 76 Ca 0.25 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.00 2wla h LEU 76 Cb 0.10 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2wla h LEU 76 CO -0.14 0.34 0.13 0.44 -0.34 0.00 0.00 178.44 178.86 2wla h ASP 77 N 0.58 0.16 -0.42 1.25 3.32 -1.05 -0.51 116.42 119.75 2wla h ASP 77 Ca 0.18 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 2wla h ASP 77 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2wla h ASP 77 CO -0.07 0.13 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.28 2wla h GLU 78 N 0.27 0.88 -0.05 3.56 4.81 -0.98 -1.66 114.58 121.41 2wla h GLU 78 Ca 0.14 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2wla h GLU 78 Cb 0.09 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2wla h GLU 78 CO -0.13 1.04 0.01 0.28 -0.73 0.00 0.00 179.01 179.48 2wla h VAL 79 N 0.70 1.18 -0.35 0.32 2.07 -0.91 -0.82 116.25 118.45 2wla h VAL 79 Ca 0.09 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2wla h VAL 79 Cb 0.78 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2wla h VAL 79 CO 0.06 0.15 0.11 -1.28 0.02 0.00 0.00 177.57 176.64 2wla h SER 80 N -0.13 0.51 -0.78 0.57 0.87 -1.08 -0.73 113.55 112.79 2wla h SER 80 Ca 0.02 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2wla h SER 80 Cb 0.23 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 2wla h SER 80 CO -0.00 0.58 0.51 -0.08 -0.53 0.00 0.00 176.83 177.30 2wla h GLU 81 N 0.42 1.00 -0.53 2.24 4.81 -1.33 -1.25 114.58 119.94 2wla h GLU 81 Ca 0.11 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2wla h GLU 81 Cb 0.25 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2wla h GLU 81 CO -0.00 0.66 0.10 -0.09 -0.73 0.00 0.00 179.01 178.95 2wla h ARG 82 N 1.03 0.86 -0.44 1.92 9.65 -0.87 -1.59 114.38 124.93 2wla h ARG 82 Ca 0.29 -0.22 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 2wla h ARG 82 Cb -0.09 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.36 2wla h ARG 82 CO -0.07 0.83 0.29 1.25 2.80 0.00 0.00 179.97 185.07 2wla h LEU 83 N 0.75 0.49 -0.43 3.80 5.85 -0.76 -1.62 115.31 123.38 2wla h LEU 83 Ca 0.16 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.89 2wla h LEU 83 Cb 0.38 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2wla h LEU 83 CO 0.01 0.35 0.25 0.40 -0.34 0.00 0.00 178.44 179.12 2wla h ILE 84 N 0.58 1.04 -0.97 4.05 2.04 -1.14 0.13 117.51 123.24 2wla h ILE 84 Ca 0.16 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2wla h ILE 84 Cb -0.05 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 2wla h ILE 84 CO -0.04 0.09 0.60 0.74 0.00 0.00 0.00 178.15 179.54 2wla h THR 85 N 0.51 1.26 -0.27 -0.27 2.02 -0.90 -2.02 112.91 113.24 2wla h THR 85 Ca 0.17 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2wla h THR 85 Cb 0.01 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.30 2wla h THR 85 CO -0.08 0.27 0.00 2.30 0.37 0.00 0.00 175.52 178.38 2wla n ILE 86 N -4.36 0.37 0.00 3.11 -5.35 -0.65 -4.89 119.36 107.59 2wla n ILE 86 Ca 0.11 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2wla n ILE 86 Cb 0.04 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 2wla n ILE 86 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wla n GLY 87 N 1.00 1.02 1.09 3.28 0.00 -0.76 -5.05 105.19 105.77 2wla n GLY 87 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 2wla n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wla n GLY 88 N -1.94 1.63 2.56 -0.02 0.00 0.43 -5.01 105.19 102.85 2wla n GLY 88 Ca 0.00 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 2wla n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wla s ALA 89 N -2.37 0.66 0.37 4.61 0.00 -1.26 -4.32 121.76 119.45 2wla s ALA 89 Ca 0.17 -1.02 -0.27 0.00 0.00 0.00 0.00 51.96 50.84 2wla s ALA 89 Cb -0.01 -1.36 -0.09 0.00 0.00 0.00 0.00 23.12 21.66 2wla s ALA 89 CO 0.11 -1.58 1.22 -1.25 0.00 0.00 0.00 175.76 174.26 2wla s PRO 90 N 2.07 4.20 0.36 0.00 0.04 -1.26 -4.98 135.00 135.43 2wla s PRO 90 Ca 0.08 2.00 -0.25 0.00 0.04 0.00 0.00 61.00 62.87 2wla s PRO 90 Cb -0.16 -2.87 -0.13 0.00 0.04 0.00 0.00 34.50 31.38 2wla s PRO 90 CO -0.32 -0.25 0.84 0.66 0.04 0.00 0.00 177.00 177.97 2wla n TYR 91 N 0.43 0.59 -2.12 0.56 4.01 -1.26 -4.91 117.16 114.46 2wla n TYR 91 Ca 0.02 0.66 -0.03 0.00 -0.16 0.00 0.00 57.90 58.39 2wla n TYR 91 Cb 0.44 -2.14 -0.03 0.00 -0.31 0.00 0.00 39.34 37.30 2wla n TYR 91 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2wla n SER 92 N 1.09 -0.28 -4.05 7.72 3.41 -1.26 -4.97 113.62 115.28 2wla n SER 92 Ca 0.11 -1.84 -0.11 0.00 -0.26 0.00 0.00 58.87 56.76 2wla n SER 92 Cb 0.36 0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.27 2wla n SER 92 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2wla s THR 93 N 0.00 0.41 0.34 6.66 -4.23 -1.26 -5.06 115.64 112.50 2wla s THR 93 Ca 0.08 -1.15 0.02 0.00 -1.18 0.00 0.00 61.69 59.46 2wla s THR 93 Cb 0.10 -0.66 0.22 0.00 1.34 0.00 0.00 72.50 73.50 2wla s THR 93 CO -0.04 -0.50 1.95 -0.07 -0.54 0.00 0.00 174.62 175.42 2wla h LEU 94 N 4.32 0.68 -0.76 4.79 3.38 -2.00 -2.03 115.31 123.70 2wla h LEU 94 Ca -0.35 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 2wla h LEU 94 Cb 1.20 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2wla h LEU 94 CO 0.44 0.57 0.32 0.00 0.09 0.00 0.00 178.44 179.87 2wla h ALA 95 N 1.54 0.99 -0.36 1.53 0.00 -1.99 -1.19 119.26 119.78 2wla h ALA 95 Ca 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wla h ALA 95 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2wla h ALA 95 CO -0.03 0.60 0.12 0.93 0.00 0.00 0.00 179.25 180.86 2wla h GLU 96 N 1.09 0.56 -0.08 0.00 5.08 -1.87 -0.95 114.58 118.41 2wla h GLU 96 Ca 0.26 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2wla h GLU 96 Cb 0.19 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2wla h GLU 96 CO -0.02 0.58 -0.08 0.74 -1.00 0.00 0.00 179.01 179.22 2wla h PHE 97 N 0.43 -0.21 -0.49 4.33 0.04 -1.19 -1.43 116.94 118.43 2wla h PHE 97 Ca 0.12 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 2wla h PHE 97 Cb 0.25 0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 2wla h PHE 97 CO 0.01 -0.13 0.29 0.77 -0.60 0.00 0.00 178.31 178.65 2wla h SER 98 N -0.11 0.59 -0.38 2.17 0.02 -1.19 -1.18 113.55 113.47 2wla h SER 98 Ca 0.06 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2wla h SER 98 Cb 0.19 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2wla h SER 98 CO -0.15 0.48 -0.30 0.50 -1.14 0.00 0.00 176.83 176.22 2wla h LYS 99 N 0.66 0.91 0.00 3.45 3.64 -1.02 -3.33 116.57 120.87 2wla h LYS 99 Ca 0.18 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2wla h LYS 99 Cb -0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2wla h LYS 99 CO -0.03 1.08 -1.41 0.72 -2.27 0.00 0.00 179.45 177.54 2wla n HIS 100 N -4.08 0.40 -1.99 1.91 8.25 -0.55 -4.92 115.22 114.23 2wla n HIS 100 Ca -0.01 0.12 -0.39 0.00 -0.26 0.00 0.00 57.72 57.18 2wla n HIS 100 Cb 0.50 -0.63 0.01 0.00 1.12 0.00 0.00 29.99 30.98 2wla n HIS 100 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2wla s SER 101 N -4.63 5.98 0.00 0.41 0.15 -0.45 -4.90 113.70 110.26 2wla s SER 101 Ca -0.02 2.65 0.24 0.00 0.70 0.00 0.00 55.95 59.52 2wla s SER 101 Cb 0.13 -2.63 0.73 0.00 -1.71 0.00 0.00 66.02 62.53 2wla s SER 101 CO 0.84 -1.07 1.55 0.29 1.20 0.00 0.00 173.24 176.05 2wla n LYS 102 N -0.30 1.90 -3.59 5.44 4.76 -1.26 -4.86 118.16 120.25 2wla n LYS 102 Ca 0.06 -1.33 -0.37 0.00 -2.87 0.00 0.00 58.31 53.81 2wla n LYS 102 Cb 0.44 -1.45 -0.07 0.00 -1.84 0.00 0.00 35.03 32.12 2wla n LYS 102 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wla s LEU 103 N -1.76 4.30 0.16 -0.35 1.43 -1.26 -5.09 118.68 116.12 2wla s LEU 103 Ca 0.34 0.56 -0.08 0.00 -1.03 0.00 0.00 54.13 53.93 2wla s LEU 103 Cb 0.20 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 2wla s LEU 103 CO 0.30 0.18 0.45 -1.81 0.23 0.00 0.00 176.35 175.70 2wla s ASP 104 N -0.00 6.58 0.15 2.29 1.01 -1.26 -5.05 116.67 120.39 2wla s ASP 104 Ca 0.17 0.77 0.08 0.00 0.71 0.00 0.00 52.55 54.28 2wla s ASP 104 Cb -0.13 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 2wla s ASP 104 CO 0.05 0.03 -0.12 -1.61 0.21 0.00 0.00 175.17 173.73 2wla s GLU 105 N -2.56 2.00 0.13 8.23 2.02 -1.26 -5.08 118.70 122.17 2wla s GLU 105 Ca 0.42 -1.19 0.09 0.00 0.02 0.00 0.00 54.97 54.31 2wla s GLU 105 Cb -0.12 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 2wla s GLU 105 CO 0.22 0.46 -0.21 0.00 0.02 0.00 0.00 175.26 175.75 2wla s ALA 106 N -1.44 1.98 0.25 5.21 0.00 -1.26 -5.12 121.76 121.38 2wla s ALA 106 Ca 0.22 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 2wla s ALA 106 Cb -0.10 -0.26 -0.14 0.00 0.00 0.00 0.00 23.12 22.62 2wla s ALA 106 CO 0.13 0.36 1.16 1.17 0.00 0.00 0.00 175.76 178.59 2wla n LYS 107 N 0.82 1.51 -2.01 0.00 4.81 -1.26 -4.91 118.16 117.12 2wla n LYS 107 Ca -0.17 0.53 -0.40 0.00 -0.87 0.00 0.00 58.31 57.40 2wla n LYS 107 Cb 0.54 -2.02 -0.00 0.00 0.02 0.00 0.00 35.03 33.57 2wla n LYS 107 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2wla s GLY 108 N -0.19 2.94 -0.07 3.14 0.00 -1.26 -5.04 107.32 106.84 2wla s GLY 108 Ca 0.65 1.30 -0.05 0.00 0.00 0.00 0.00 44.72 46.62 2wla s GLY 108 CO 0.56 1.91 0.18 -0.51 0.00 0.00 0.00 173.10 175.23 2wla s THR 109 N -1.22 -0.02 -1.30 0.90 -4.23 -1.26 -5.04 115.64 103.47 2wla s THR 109 Ca 0.56 0.08 0.21 0.00 -1.18 0.00 0.00 61.69 61.36 2wla s THR 109 Cb -0.40 -0.27 0.31 0.00 1.34 0.00 0.00 72.50 73.48 2wla s THR 109 CO 0.52 0.03 1.68 -1.22 -0.54 0.00 0.00 174.62 175.09 2wla n TYR 110 N 3.61 0.00 0.85 3.99 4.01 -1.26 -3.50 117.16 124.86 2wla n TYR 110 Ca -0.19 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.68 2wla n TYR 110 Cb 0.55 -0.35 0.44 0.00 -0.31 0.00 0.00 39.34 39.67 2wla n TYR 110 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2wla n ASP 111 N -1.35 0.39 -4.75 7.72 8.00 -1.26 -4.66 116.55 120.64 2wla n ASP 111 Ca 0.09 0.33 -0.41 0.00 0.71 0.00 0.00 54.79 55.50 2wla n ASP 111 Cb 0.19 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 2wla n ASP 111 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2wla s LYS 112 N -3.05 4.35 0.63 -1.24 2.20 -1.23 -5.02 119.74 116.39 2wla s LYS 112 Ca 0.12 2.16 -0.10 0.00 -0.36 0.00 0.00 55.97 57.78 2wla s LYS 112 Cb 0.16 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 2wla s LYS 112 CO 0.60 -0.27 1.02 0.95 -0.36 0.00 0.00 175.35 177.30 2wla s THR 113 N -0.26 4.26 0.21 3.43 -4.23 -1.26 -4.59 115.64 113.19 2wla s THR 113 Ca 0.55 0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 61.60 2wla s THR 113 Cb -0.39 -3.71 0.14 0.00 1.34 0.00 0.00 72.50 69.88 2wla s THR 113 CO 0.43 -0.91 1.76 0.58 -0.54 0.00 0.00 174.62 175.94 2wla h VAL 114 N -0.37 0.81 -0.99 2.29 2.07 -1.96 -1.81 116.25 116.30 2wla h VAL 114 Ca -0.45 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 66.97 2wla h VAL 114 Cb 1.22 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 2wla h VAL 114 CO 0.62 0.08 0.64 0.00 0.02 0.00 0.00 177.57 178.94 2wla h ALA 115 N 1.40 1.34 -0.52 1.67 0.00 -1.96 -1.16 119.26 120.03 2wla h ALA 115 Ca 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2wla h ALA 115 Cb 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2wla h ALA 115 CO -0.27 0.48 0.17 1.96 0.00 0.00 0.00 179.25 181.58 2wla h GLN 116 N 1.20 0.80 -0.37 0.00 4.20 -1.75 -1.22 115.11 117.97 2wla h GLN 116 Ca 0.41 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 2wla h GLN 116 Cb 0.09 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2wla h GLN 116 CO -0.15 0.73 0.22 0.45 -0.67 0.00 0.00 178.83 179.41 2wla h HIS 117 N 0.70 0.49 -0.82 2.96 3.86 -0.76 -1.41 115.15 120.18 2wla h HIS 117 Ca 0.17 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2wla h HIS 117 Cb 0.26 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 2wla h HIS 117 CO 0.01 0.35 0.43 -0.07 0.86 0.00 0.00 177.93 179.51 2wla h LEU 118 N 0.48 1.04 -0.48 2.43 3.38 -1.12 -1.48 115.31 119.55 2wla h LEU 118 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2wla h LEU 118 Cb 0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2wla h LEU 118 CO -0.02 0.85 0.27 0.00 0.09 0.00 0.00 178.44 179.63 2wla h ALA 119 N 1.23 0.62 -0.60 1.53 0.00 -1.03 -1.96 119.26 119.04 2wla h ALA 119 Ca 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2wla h ALA 119 Cb 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2wla h ALA 119 CO -0.04 0.12 0.28 -0.09 0.00 0.00 0.00 179.25 179.53 2wla h ARG 120 N 0.64 0.86 -0.52 0.00 9.65 -0.99 -1.68 114.38 122.34 2wla h ARG 120 Ca 0.17 -0.13 0.03 0.00 -1.10 0.00 0.00 59.98 58.95 2wla h ARG 120 Cb 0.03 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.42 2wla h ARG 120 CO -0.03 0.70 0.30 -0.07 2.80 0.00 0.00 179.97 183.68 2wla h LEU 121 N 0.82 0.48 -0.52 3.80 3.38 -1.13 -0.68 115.31 121.46 2wla h LEU 121 Ca 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2wla h LEU 121 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2wla h LEU 121 CO -0.03 0.34 0.29 0.58 0.09 0.00 0.00 178.44 179.72 2wla h VAL 122 N 0.60 1.17 -0.76 1.22 2.07 -1.15 -1.33 116.25 118.08 2wla h VAL 122 Ca 0.21 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.37 2wla h VAL 122 Cb 0.04 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 2wla h VAL 122 CO -0.11 0.18 0.45 -0.33 0.02 0.00 0.00 177.57 177.79 2wla h GLU 123 N 0.70 0.80 -0.08 1.57 5.08 -0.92 0.26 114.58 121.98 2wla h GLU 123 Ca 0.18 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wla h GLU 123 Cb 0.03 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2wla h GLU 123 CO -0.03 0.53 0.05 0.28 -1.00 0.00 0.00 179.01 178.84 2wla h VAL 124 N 0.83 1.07 -0.13 3.13 2.07 -0.67 -1.24 116.25 121.30 2wla h VAL 124 Ca 0.33 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.56 2wla h VAL 124 Cb 0.17 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2wla h VAL 124 CO -0.17 0.06 -0.40 1.88 0.02 0.00 0.00 177.57 178.95 2wla h TYR 125 N 0.06 0.33 -0.35 1.57 0.05 -1.00 -1.01 116.97 116.61 2wla h TYR 125 Ca 0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 2wla h TYR 125 Cb 0.05 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 2wla h TYR 125 CO -0.05 0.64 0.19 -0.07 -1.05 0.00 0.00 178.16 177.82 2wla h LEU 126 N 0.24 0.45 -0.22 3.88 3.38 -0.82 -0.22 115.31 121.99 2wla h LEU 126 Ca 0.02 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2wla h LEU 126 Cb 0.81 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2wla h LEU 126 CO 0.06 0.42 0.07 0.22 0.09 0.00 0.00 178.44 179.29 2wla h TYR 127 N 0.44 0.12 -0.64 1.13 3.20 -0.96 -2.21 116.97 118.05 2wla h TYR 127 Ca 0.12 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2wla h TYR 127 Cb 0.07 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2wla h TYR 127 CO -0.02 0.05 0.40 -0.07 -1.64 0.00 0.00 178.16 176.87 2wla h LEU 128 N 0.16 0.76 -1.10 2.82 3.38 -0.98 -0.92 115.31 119.43 2wla h LEU 128 Ca 0.10 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2wla h LEU 128 Cb 0.08 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2wla h LEU 128 CO -0.11 0.59 0.61 0.28 0.09 0.00 0.00 178.44 179.89 2wla h SER 129 N 0.87 0.95 -0.27 -0.43 0.02 -0.84 -0.09 113.55 113.77 2wla h SER 129 Ca 0.23 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 2wla h SER 129 Cb -0.04 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2wla h SER 129 CO -0.04 0.62 -0.19 0.28 -1.14 0.00 0.00 176.83 176.35 2wla h SER 130 N 1.08 0.63 -0.71 3.07 0.02 -0.79 -1.79 113.55 115.07 2wla h SER 130 Ca 0.40 -0.44 0.09 0.00 -0.84 0.00 0.00 61.79 61.00 2wla h SER 130 Cb 0.17 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2wla h SER 130 CO -0.15 0.94 0.36 0.25 -1.14 0.00 0.00 176.83 177.09 2wla h LEU 131 N 0.33 0.47 -1.13 5.07 5.85 -0.72 -1.94 115.31 123.24 2wla h LEU 131 Ca 0.05 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 2wla h LEU 131 Cb 0.73 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2wla h LEU 131 CO 0.05 0.27 -0.21 1.88 -0.34 0.00 0.00 178.44 180.10 2wla h TYR 132 N 0.61 0.38 -0.37 1.25 0.05 -0.84 -0.63 116.97 117.43 2wla h TYR 132 Ca 0.35 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 59.04 2wla h TYR 132 Cb 0.35 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 2wla h TYR 132 CO -0.10 0.55 0.14 0.37 -1.05 0.00 0.00 178.16 178.06 2wla h GLN 133 N 0.32 0.56 -0.81 4.88 5.75 -0.71 0.12 115.11 125.22 2wla h GLN 133 Ca 0.05 -0.11 0.06 0.00 -0.15 0.00 0.00 58.65 58.51 2wla h GLN 133 Cb 0.55 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.96 2wla h GLN 133 CO 0.04 0.55 0.49 0.28 -2.65 0.00 0.00 178.83 177.54 2wla h VAL 134 N 0.45 1.03 -0.70 2.39 2.07 -1.01 -0.20 116.25 120.27 2wla h VAL 134 Ca 0.12 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.39 2wla h VAL 134 Cb 0.21 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 2wla h VAL 134 CO -0.01 0.16 0.40 1.23 0.02 0.00 0.00 177.57 179.38 2wla h GLY 135 N 0.90 1.03 0.97 2.17 0.00 -0.48 -0.08 103.07 107.59 2wla h GLY 135 Ca 0.35 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 2wla h GLY 135 CO -0.17 0.18 -0.05 1.41 0.00 0.00 0.00 176.54 177.91 2wla h LEU 136 N 0.74 -0.13 -0.42 3.11 3.38 0.06 -1.60 115.31 120.45 2wla h LEU 136 Ca 0.31 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.33 2wla h LEU 136 Cb 0.17 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2wla h LEU 136 CO -0.17 -0.09 0.18 0.44 0.09 0.00 0.00 178.44 178.89 2wla h ASP 137 N -0.13 0.23 -0.27 -0.43 3.32 -0.72 -1.50 116.42 116.92 2wla h ASP 137 Ca -0.01 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 2wla h ASP 137 Cb 0.12 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2wla h ASP 137 CO 0.00 0.17 0.01 0.40 -1.72 0.00 0.00 179.24 178.11 2wla h ILE 138 N 0.37 1.25 -0.16 0.35 2.04 -0.98 -1.61 117.51 118.77 2wla h ILE 138 Ca 0.19 -0.89 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 2wla h ILE 138 Cb 0.14 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2wla h ILE 138 CO -0.16 0.28 -0.36 0.71 0.00 0.00 0.00 178.15 178.63 2wla h THR 139 N 0.27 1.29 -0.22 -0.27 1.35 -1.19 0.11 112.91 114.24 2wla h THR 139 Ca 0.08 -1.42 -0.01 0.00 -0.55 0.00 0.00 66.41 64.51 2wla h THR 139 Cb 0.40 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 2wla h THR 139 CO 0.01 0.43 0.09 0.44 -0.25 0.00 0.00 175.52 176.24 2wla h ASP 140 N 0.28 0.31 -0.31 5.36 3.32 -1.24 0.80 116.42 124.94 2wla h ASP 140 Ca 0.03 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 56.95 2wla h ASP 140 Cb 0.76 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 2wla h ASP 140 CO 0.06 0.39 0.09 -0.08 -1.72 0.00 0.00 179.24 177.98 2wla h GLU 141 N 0.21 0.21 -0.03 3.56 4.81 -0.83 -2.91 114.58 119.59 2wla h GLU 141 Ca 0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2wla h GLU 141 Cb 0.18 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2wla h GLU 141 CO -0.01 0.14 0.00 0.39 -0.73 0.00 0.00 179.01 178.80 2wla n GLU 142 N -5.05 1.72 -2.36 1.92 1.02 0.34 -4.96 120.64 113.27 2wla n GLU 142 Ca 0.00 -1.05 -0.11 0.00 -0.02 0.00 0.00 57.16 55.99 2wla n GLU 142 Cb 0.12 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2wla n GLU 142 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wla n GLY 143 N 1.18 -0.01 3.35 0.62 0.00 0.11 -4.93 105.19 105.51 2wla n GLY 143 Ca 0.18 -0.40 -0.46 0.00 0.00 0.00 0.00 46.02 45.34 2wla n GLY 143 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wla s ASP 144 N -2.64 6.66 0.18 1.61 -1.08 -0.25 -4.92 116.67 116.23 2wla s ASP 144 Ca 0.06 -2.45 -0.09 0.00 -0.52 0.00 0.00 52.55 49.54 2wla s ASP 144 Cb -0.02 -2.24 0.07 0.00 -1.46 0.00 0.00 42.92 39.26 2wla s ASP 144 CO 0.07 -0.70 1.64 0.00 0.52 0.00 0.00 175.17 176.69 2wla h ALA 145 N 8.11 0.82 -0.30 3.66 0.00 -1.94 -1.60 119.26 128.01 2wla h ALA 145 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wla h ALA 145 Cb 1.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2wla h ALA 145 CO 0.85 0.68 0.20 0.78 0.00 0.00 0.00 179.25 181.75 2wla h GLY 146 N 0.99 0.42 1.79 0.00 0.00 -1.98 -1.60 103.07 102.69 2wla h GLY 146 Ca 0.17 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 2wla h GLY 146 CO 0.03 0.16 -0.56 -0.84 0.00 0.00 0.00 176.54 175.33 2wla h THR 147 N 0.40 1.37 -0.64 4.70 2.02 -1.96 -2.60 112.91 116.21 2wla h THR 147 Ca 0.11 -1.89 0.03 0.00 0.77 0.00 0.00 66.41 65.43 2wla h THR 147 Cb -0.04 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 2wla h THR 147 CO -0.02 0.56 0.39 -1.13 0.37 0.00 0.00 175.52 175.69 2wla h ASN 148 N 0.17 0.65 -0.81 4.18 -0.73 -1.06 -1.81 115.58 116.17 2wla h ASN 148 Ca -0.00 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 2wla h ASN 148 Cb 1.04 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 39.46 2wla h ASN 148 CO 0.09 0.45 0.36 -0.78 -0.37 0.00 0.00 177.43 177.18 2wla h ASP 149 N 0.78 1.09 -0.11 1.15 3.58 -1.07 -0.26 116.42 121.57 2wla h ASP 149 Ca 0.25 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.57 2wla h ASP 149 Cb 0.02 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 2wla h ASP 149 CO -0.10 0.93 0.02 0.25 -2.88 0.00 0.00 179.24 177.47 2wla h LEU 150 N 1.17 0.01 -1.01 2.28 6.46 -1.11 -1.72 115.31 121.39 2wla h LEU 150 Ca 0.28 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.96 2wla h LEU 150 Cb 0.16 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 2wla h LEU 150 CO -0.03 0.03 -0.25 -0.26 -0.62 0.00 0.00 178.44 177.31 2wla h PHE 151 N 0.07 0.46 0.06 1.25 0.04 -1.15 -1.90 116.94 115.77 2wla h PHE 151 Ca 0.05 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 2wla h PHE 151 Cb 0.04 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.07 2wla h PHE 151 CO -0.11 0.63 -0.03 1.15 -0.60 0.00 0.00 178.31 179.35 2wla h THR 152 N 0.37 0.97 -0.67 -1.55 2.02 -0.75 -0.28 112.91 113.01 2wla h THR 152 Ca 0.06 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 2wla h THR 152 Cb 0.64 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 2wla h THR 152 CO 0.05 0.02 0.13 0.00 0.37 0.00 0.00 175.52 176.08 2wla h ALA 153 N 0.84 0.88 -0.58 6.16 0.00 -1.22 -1.10 119.26 124.24 2wla h ALA 153 Ca -0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2wla h ALA 153 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wla h ALA 153 CO 0.01 0.64 0.20 0.00 0.00 0.00 0.00 179.25 180.10 2wla h ALA 154 N 1.05 0.76 -0.52 0.00 0.00 -1.29 -1.55 119.26 117.71 2wla h ALA 154 Ca 0.20 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2wla h ALA 154 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2wla h ALA 154 CO 0.01 0.40 0.06 -0.22 0.00 0.00 0.00 179.25 179.51 2wla h LYS 155 N 0.81 0.87 -0.69 0.00 3.64 -0.80 -1.56 116.57 118.83 2wla h LYS 155 Ca 0.19 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2wla h LYS 155 Cb 0.26 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2wla h LYS 155 CO -0.01 0.87 0.42 1.15 -2.27 0.00 0.00 179.45 179.60 2wla h THR 156 N 0.75 1.20 -0.37 1.00 2.02 -1.03 -0.38 112.91 116.10 2wla h THR 156 Ca 0.15 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 2wla h THR 156 Cb 0.43 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2wla h THR 156 CO 0.01 0.20 0.01 -0.08 0.37 0.00 0.00 175.52 176.04 2wla h GLU 157 N 0.94 0.64 -0.69 6.66 4.81 -1.23 -1.67 114.58 124.02 2wla h GLU 157 Ca 0.25 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2wla h GLU 157 Cb -0.04 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 2wla h GLU 157 CO -0.05 0.74 0.45 0.00 -0.73 0.00 0.00 179.01 179.42 2wla h ALA 158 N 0.88 0.89 -0.64 2.92 0.00 -0.96 -1.47 119.26 120.88 2wla h ALA 158 Ca 0.11 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2wla h ALA 158 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2wla h ALA 158 CO 0.02 0.27 0.06 0.93 0.00 0.00 0.00 179.25 180.53 2wla h GLU 159 N 0.91 1.08 -0.51 0.00 5.08 -0.91 -0.75 114.58 119.49 2wla h GLU 159 Ca 0.26 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2wla h GLU 159 Cb -0.06 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2wla h GLU 159 CO -0.07 1.02 0.29 -0.22 -1.00 0.00 0.00 179.01 179.03 2wla h LYS 160 N 1.00 0.69 -0.63 2.33 3.64 -1.12 -1.46 116.57 121.02 2wla h LYS 160 Ca 0.19 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2wla h LYS 160 Cb 0.49 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2wla h LYS 160 CO 0.02 0.52 0.41 1.15 -2.27 0.00 0.00 179.45 179.28 2wla h THR 161 N 0.67 1.13 -0.36 1.00 2.02 -0.89 -2.03 112.91 114.47 2wla h THR 161 Ca 0.18 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.09 2wla h THR 161 Cb 0.02 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 2wla h THR 161 CO -0.03 0.15 0.22 0.40 0.37 0.00 0.00 175.52 176.63 2wla h ILE 162 N 0.83 1.06 -0.32 3.11 2.04 -0.92 -0.37 117.51 122.94 2wla h ILE 162 Ca 0.24 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 66.01 2wla h ILE 162 Cb -0.06 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 2wla h ILE 162 CO -0.07 0.08 -0.11 -0.25 0.00 0.00 0.00 178.15 177.80 2wla h TRP 163 N 0.45 -0.25 -0.34 1.37 7.01 -0.91 0.14 115.95 123.41 2wla h TRP 163 Ca 0.14 0.03 -0.17 0.00 2.11 0.00 0.00 58.89 61.00 2wla h TRP 163 Cb -0.02 0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2wla h TRP 163 CO -0.06 -0.18 -0.43 0.52 -2.79 0.00 0.00 178.44 175.50 2wla h MET 164 N -0.05 0.90 -0.33 2.65 2.86 -1.05 -0.65 114.93 119.26 2wla h MET 164 Ca 0.16 -0.51 -0.08 0.00 -2.06 0.00 0.00 59.70 57.21 2wla h MET 164 Cb 0.29 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2wla h MET 164 CO -0.35 1.15 -0.10 -0.07 1.06 0.00 0.00 176.91 178.60 2wla h LEU 165 N 0.70 0.65 -0.58 1.22 3.38 -1.00 -2.04 115.31 117.64 2wla h LEU 165 Ca 0.04 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.68 2wla h LEU 165 Cb 1.03 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 2wla h LEU 165 CO 0.10 0.88 0.32 1.56 0.09 0.00 0.00 178.44 181.39 2wla h GLN 166 N 0.42 0.60 -0.88 1.13 1.08 -0.91 -2.19 115.11 114.35 2wla h GLN 166 Ca 0.08 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.28 2wla h GLN 166 Cb 0.60 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 2wla h GLN 166 CO 0.04 0.40 0.57 0.00 -0.95 0.00 0.00 178.83 178.88 2wla h ALA 167 N 1.29 1.17 -0.28 3.87 0.00 -0.93 0.81 119.26 125.18 2wla h ALA 167 Ca 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2wla h ALA 167 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2wla h ALA 167 CO -0.14 0.40 0.14 1.49 0.00 0.00 0.00 179.25 181.15 2wla h GLU 168 N 1.09 0.38 -0.00 0.00 4.57 -1.03 -0.94 114.58 118.65 2wla h GLU 168 Ca 0.36 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 2wla h GLU 168 Cb 0.03 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2wla h GLU 168 CO -0.13 0.29 -0.01 0.54 -1.18 0.00 0.00 179.01 178.52 2wla n ARG 169 N -4.45 0.77 -0.82 1.92 1.74 -0.51 -4.90 116.66 110.41 2wla n ARG 169 Ca 0.01 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2wla n ARG 169 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2wla n ARG 169 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wla n GLY 170 N 1.14 0.55 3.61 -0.13 0.00 -0.36 -5.06 105.19 104.94 2wla n GLY 170 Ca 0.19 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 2wla n GLY 170 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wla s GLN 171 N -0.82 2.14 0.86 1.61 -0.21 0.16 -4.98 119.66 118.42 2wla s GLN 171 Ca 0.00 -1.54 -0.12 0.00 0.02 0.00 0.00 55.36 53.72 2wla s GLN 171 Cb 0.00 -2.05 0.11 0.00 1.00 0.00 0.00 33.01 32.07 2wla s GLN 171 CO 0.00 0.32 1.14 0.20 -2.12 0.00 0.00 175.29 174.83 2wla s GLY 172 N -3.65 1.59 0.29 3.09 0.00 -1.26 -2.79 107.32 104.59 2wla s GLY 172 Ca 0.32 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.52 2wla s GLY 172 CO 0.19 0.01 1.88 -2.55 0.00 0.00 0.00 173.10 172.63 2wla h PRO 173 N -1.30 0.89 -6.63 2.90 0.11 -1.87 -3.45 132.00 122.65 2wla h PRO 173 Ca -0.49 -0.13 -0.53 0.00 0.11 0.00 0.00 66.00 64.96 2wla h PRO 173 Cb 1.32 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 2wla h PRO 173 CO 0.63 0.72 -0.92 0.00 -0.21 0.00 0.00 178.00 178.21 2wla n ALA 174 N -2.45 -2.10 0.41 -0.75 0.00 -1.26 -4.80 120.51 109.55 2wla n ALA 174 Ca 0.05 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.20 2wla n ALA 174 Cb 0.16 -1.65 0.20 0.00 0.00 0.00 0.00 19.45 18.16 2wla n ALA 174 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78