#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwz s THR 3 N 0.00 5.12 0.18 6.66 2.01 -1.26 -1.96 115.64 126.40 1pwz s THR 3 Ca 0.00 0.08 0.11 0.00 0.31 0.00 0.00 61.69 62.19 1pwz s THR 3 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1pwz s THR 3 CO 0.00 0.49 -0.24 0.00 -0.69 0.00 0.00 174.62 174.18 1pwz s ALA 4 N 0.05 2.48 -0.13 7.40 0.00 0.02 -0.89 121.76 130.69 1pwz s ALA 4 Ca 0.08 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1pwz s ALA 4 Cb -0.12 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1pwz s ALA 4 CO 0.00 0.43 -0.19 0.42 0.00 0.00 0.00 175.76 176.43 1pwz s ILE 5 N -1.62 1.79 -0.19 0.00 1.01 -0.03 -1.22 121.20 120.94 1pwz s ILE 5 Ca 0.20 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1pwz s ILE 5 Cb -0.08 -1.60 0.03 0.00 0.01 0.00 0.00 42.46 40.81 1pwz s ILE 5 CO 0.09 0.50 -0.18 -0.69 0.00 0.00 0.00 174.94 174.66 1pwz s VAL 6 N 0.92 2.05 0.44 2.92 1.01 -0.90 -0.85 120.40 125.99 1pwz s VAL 6 Ca -0.06 -1.07 -0.06 0.00 0.00 0.00 0.00 61.98 60.79 1pwz s VAL 6 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1pwz s VAL 6 CO -0.02 0.41 0.74 0.42 0.00 0.00 0.00 175.10 176.66 1pwz s THR 7 N 1.26 4.91 -1.59 3.92 -4.23 -1.11 -1.38 115.64 117.43 1pwz s THR 7 Ca 0.02 0.20 -0.07 0.00 -1.18 0.00 0.00 61.69 60.67 1pwz s THR 7 Cb -0.14 -3.83 0.06 0.00 1.34 0.00 0.00 72.50 69.93 1pwz s THR 7 CO -0.11 -0.72 0.33 0.59 -0.54 0.00 0.00 174.62 174.17 1pwz n ASN 8 N -1.94 -0.48 0.18 3.99 3.02 -0.82 -4.24 115.26 114.97 1pwz n ASN 8 Ca 0.00 -1.16 0.19 0.00 -0.03 0.00 0.00 54.58 53.58 1pwz n ASN 8 Cb 0.55 -2.18 0.80 0.00 -0.61 0.00 0.00 39.78 38.33 1pwz n ASN 8 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1pwz h VAL 9 N -1.62 0.31 0.00 2.41 3.04 -1.46 -1.22 116.25 117.71 1pwz h VAL 9 Ca -0.63 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1pwz h VAL 9 Cb 1.39 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1pwz h VAL 9 CO 0.73 0.00 -0.10 0.29 -1.01 0.00 0.00 177.57 177.47 1pwz n LYS 10 N -3.55 0.26 -4.58 4.17 5.02 -1.26 -1.64 118.16 116.58 1pwz n LYS 10 Ca 0.04 0.19 -0.26 0.00 -2.02 0.00 0.00 58.31 56.25 1pwz n LYS 10 Cb 0.47 -1.78 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 1pwz n LYS 10 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1pwz s HIS 11 N -3.11 2.39 0.00 2.13 3.76 -0.46 -4.61 115.29 115.40 1pwz s HIS 11 Ca 0.10 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1pwz s HIS 11 Cb 0.13 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 32.16 1pwz s HIS 11 CO 0.62 0.36 0.00 0.34 -0.85 0.00 0.00 174.74 175.20 1pwz n PHE 12 N -0.90 0.00 0.65 1.40 7.35 -0.48 -0.30 117.46 125.18 1pwz n PHE 12 Ca -0.04 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.77 1pwz n PHE 12 Cb 0.67 0.00 0.18 0.00 0.35 0.00 0.00 39.48 40.68 1pwz n PHE 12 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pwz n GLY 13 N 0.00 1.35 0.44 7.13 0.00 -1.26 -4.70 105.19 108.14 1pwz n GLY 13 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1pwz n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pwz h GLY 14 N 4.63 -1.06 0.85 -0.02 0.00 -0.84 -1.37 103.07 105.27 1pwz h GLY 14 Ca 0.00 0.72 -0.00 0.00 0.00 0.00 0.00 47.33 48.05 1pwz h GLY 14 CO 0.00 -0.15 0.01 -0.33 0.00 0.00 0.00 176.54 176.06 1pwz h MET 15 N -0.40 0.02 -0.72 4.80 2.86 -1.53 -0.25 114.93 119.72 1pwz h MET 15 Ca 0.06 -0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.81 1pwz h MET 15 Cb 0.58 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.16 1pwz h MET 15 CO -0.55 0.17 0.34 0.78 1.06 0.00 0.00 176.91 178.71 1pwz h GLY 16 N -0.13 1.08 0.72 8.32 0.00 -1.75 0.30 103.07 111.62 1pwz h GLY 16 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1pwz h GLY 16 CO -0.00 0.02 -0.00 1.76 0.00 0.00 0.00 176.54 178.32 1pwz h SER 17 N 0.56 -0.00 0.70 0.19 0.02 -1.03 -2.50 113.55 111.49 1pwz h SER 17 Ca 0.37 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1pwz h SER 17 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1pwz h SER 17 CO -0.30 0.28 -0.37 0.00 -1.14 0.00 0.00 176.83 175.29 1pwz h ALA 18 N 0.71 -1.00 -0.09 3.77 0.00 -0.62 -1.17 119.26 120.87 1pwz h ALA 18 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1pwz h ALA 18 Cb 0.28 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1pwz h ALA 18 CO 0.00 -1.07 -0.15 -0.07 0.00 0.00 0.00 179.25 177.97 1pwz h LEU 19 N -0.99 -0.45 -1.07 0.00 4.07 -1.03 0.24 115.31 116.08 1pwz h LEU 19 Ca -0.09 0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.85 1pwz h LEU 19 Cb 0.77 0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1pwz h LEU 19 CO 0.14 -0.20 -0.44 -0.09 -1.08 0.00 0.00 178.44 176.76 1pwz h ARG 20 N -0.20 0.00 -0.10 1.13 9.65 -1.50 0.35 114.38 123.70 1pwz h ARG 20 Ca 0.08 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.77 1pwz h ARG 20 Cb 0.31 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1pwz h ARG 20 CO -0.21 0.44 -0.73 1.25 2.80 0.00 0.00 179.97 183.52 1pwz h LEU 21 N 0.00 0.59 -0.15 3.80 5.85 -0.83 -2.40 115.31 122.17 1pwz h LEU 21 Ca -0.00 -0.39 -0.22 0.00 0.84 0.00 0.00 57.88 58.11 1pwz h LEU 21 Cb 0.83 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.70 1pwz h LEU 21 CO 0.06 1.14 -0.78 -1.28 -0.34 0.00 0.00 178.44 177.24 1pwz h SER 22 N 0.34 0.95 0.52 1.25 0.87 -0.06 -2.53 113.55 114.90 1pwz h SER 22 Ca -0.03 -0.63 -0.01 0.00 -1.23 0.00 0.00 61.79 59.89 1pwz h SER 22 Cb 1.32 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1pwz h SER 22 CO 0.13 1.42 -0.03 -0.33 -0.53 0.00 0.00 176.83 177.50 1pwz h GLU 23 N 0.53 0.00 0.00 2.24 3.07 -0.26 -1.00 114.58 119.15 1pwz h GLU 23 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1pwz h GLU 23 Cb 1.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1pwz h GLU 23 CO 0.16 0.03 0.00 0.00 -1.40 0.00 0.00 179.01 177.80 1pwz h ALA 24 N 1.97 1.00 0.00 3.43 0.00 -1.24 -3.47 119.26 120.96 1pwz h ALA 24 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pwz h ALA 24 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pwz h ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1pwz n GLY 25 N 1.04 1.65 3.71 0.00 0.00 -0.38 -5.10 105.19 106.10 1pwz n GLY 25 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1pwz n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pwz s HIS 26 N -1.38 1.90 -0.35 1.61 4.02 -0.97 -4.71 115.29 115.41 1pwz s HIS 26 Ca 0.00 1.66 -0.14 0.00 1.02 0.00 0.00 55.06 57.60 1pwz s HIS 26 Cb 0.00 -3.43 -0.01 0.00 -1.02 0.00 0.00 32.58 28.12 1pwz s HIS 26 CO 0.00 -2.70 0.30 0.99 1.02 0.00 0.00 174.74 174.34 1pwz s THR 27 N -2.21 5.24 -0.42 1.30 2.01 -0.83 -4.52 115.64 116.20 1pwz s THR 27 Ca 0.72 -0.19 -0.09 0.00 0.31 0.00 0.00 61.69 62.44 1pwz s THR 27 Cb -0.27 -3.79 0.08 0.00 0.01 0.00 0.00 72.50 68.53 1pwz s THR 27 CO 0.50 -0.09 0.27 -0.69 -0.69 0.00 0.00 174.62 173.92 1pwz s VAL 28 N 1.83 4.28 0.12 3.82 1.01 -1.26 -0.80 120.40 129.40 1pwz s VAL 28 Ca 0.08 -1.41 -0.28 0.00 0.00 0.00 0.00 61.98 60.37 1pwz s VAL 28 Cb -0.17 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1pwz s VAL 28 CO 0.11 -0.53 0.89 0.00 0.00 0.00 0.00 175.10 175.57 1pwz s ALA 29 N 1.43 3.31 0.00 5.51 0.00 -0.36 0.07 121.76 131.72 1pwz s ALA 29 Ca 0.03 0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.56 1pwz s ALA 29 Cb -0.23 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1pwz s ALA 29 CO 0.02 0.06 -0.24 0.00 0.00 0.00 0.00 175.76 175.60 1pwz s HIS 31 N -0.71 2.60 -0.29 0.00 5.65 -0.48 0.65 115.29 122.71 1pwz s HIS 31 Ca 0.11 -0.24 -0.31 0.00 0.25 0.00 0.00 55.06 54.86 1pwz s HIS 31 Cb -0.10 -1.17 0.19 0.00 -1.18 0.00 0.00 32.58 30.31 1pwz s HIS 31 CO 0.01 0.62 1.38 0.34 -0.65 0.00 0.00 174.74 176.44 1pwz s ASP 32 N -3.45 -0.01 0.18 9.88 -1.08 -1.26 -1.57 116.67 119.35 1pwz s ASP 32 Ca 0.30 0.01 -0.06 0.00 -0.52 0.00 0.00 52.55 52.28 1pwz s ASP 32 Cb -0.07 0.01 0.08 0.00 -1.46 0.00 0.00 42.92 41.48 1pwz s ASP 32 CO 0.18 -0.02 1.52 1.05 0.52 0.00 0.00 175.17 178.42 1pwz h GLU 33 N 2.02 0.73 0.00 4.34 -0.00 -1.96 -2.95 114.58 116.75 1pwz h GLU 33 Ca -0.06 -0.40 -0.00 0.00 -0.00 0.00 0.00 59.36 58.90 1pwz h GLU 33 Cb 1.17 0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 29.94 1pwz h GLU 33 CO 0.21 1.02 -0.01 0.66 -0.00 0.00 0.00 179.01 180.88 1pwz h SER 34 N 0.59 0.00 0.00 3.06 4.64 -1.97 -1.85 113.55 118.02 1pwz h SER 34 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1pwz h SER 34 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1pwz h SER 34 CO 0.09 0.01 0.00 0.49 -0.87 0.00 0.00 176.83 176.56 1pwz n PHE 35 N -3.37 0.00 0.30 4.77 0.99 -1.11 -2.38 117.46 116.66 1pwz n PHE 35 Ca -0.03 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.59 1pwz n PHE 35 Cb 0.10 0.00 0.67 0.00 -1.00 0.00 0.00 39.48 39.25 1pwz n PHE 35 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 1pwz h LYS 36 N 0.00 0.00 -4.92 -1.08 1.79 -1.52 -3.40 116.57 107.44 1pwz h LYS 36 Ca 0.00 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.82 1pwz h LYS 36 Cb 0.00 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.45 1pwz h LYS 36 CO 0.00 0.00 -0.57 -0.65 -1.08 0.00 0.00 179.45 177.15 1pwz s GLN 37 N -3.62 3.80 0.45 3.15 1.11 -1.00 -4.98 119.66 118.57 1pwz s GLN 37 Ca 0.02 -0.40 0.20 0.00 0.01 0.00 0.00 55.36 55.18 1pwz s GLN 37 Cb 0.09 -3.51 1.16 0.00 -1.01 0.00 0.00 33.01 29.75 1pwz s GLN 37 CO 0.51 -0.19 1.88 1.57 0.01 0.00 0.00 175.29 179.07 1pwz h LYS 38 N 8.31 0.31 -0.79 2.91 -0.00 -1.87 -0.11 116.57 125.32 1pwz h LYS 38 Ca -0.36 -0.02 0.01 0.00 -0.00 0.00 0.00 60.65 60.28 1pwz h LYS 38 Cb 1.18 -0.07 -0.04 0.00 -0.00 0.00 0.00 32.23 33.30 1pwz h LYS 38 CO 0.57 0.20 0.52 0.38 -0.00 0.00 0.00 179.45 181.12 1pwz h ASP 39 N 0.31 0.89 -0.04 7.07 -0.00 -1.93 -1.02 116.42 121.70 1pwz h ASP 39 Ca 0.43 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.03 57.39 1pwz h ASP 39 Cb 1.19 -0.21 0.00 0.00 -0.00 0.00 0.00 39.33 40.31 1pwz h ASP 39 CO -0.13 0.63 -0.18 -0.33 -0.00 0.00 0.00 179.24 179.24 1pwz h GLU 40 N 1.05 0.18 -0.99 4.15 4.39 -1.29 -2.68 114.58 119.39 1pwz h GLU 40 Ca 0.30 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.91 1pwz h GLU 40 Cb -0.08 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.53 1pwz h GLU 40 CO -0.08 0.81 0.64 1.25 -1.16 0.00 0.00 179.01 180.47 1pwz h LEU 41 N -0.39 1.02 -0.19 1.33 6.46 -1.20 -0.82 115.31 121.52 1pwz h LEU 41 Ca -0.01 0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.59 1pwz h LEU 41 Cb 0.84 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1pwz h LEU 41 CO 0.04 0.66 -0.82 -0.33 -0.62 0.00 0.00 178.44 177.37 1pwz h GLU 42 N 1.16 0.00 -0.26 1.25 5.08 -1.26 -0.89 114.58 119.66 1pwz h GLU 42 Ca 0.43 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.69 1pwz h GLU 42 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1pwz h GLU 42 CO -0.17 0.82 -0.20 0.00 -1.00 0.00 0.00 179.01 178.45 1pwz h ALA 43 N 1.18 0.37 -0.18 3.43 0.00 -1.07 -0.36 119.26 122.63 1pwz h ALA 43 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1pwz h ALA 43 Cb 1.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1pwz h ALA 43 CO 0.11 0.31 0.07 0.35 0.00 0.00 0.00 179.25 180.09 1pwz h PHE 44 N 0.31 0.28 -0.92 0.00 3.57 -1.16 -1.61 116.94 117.41 1pwz h PHE 44 Ca 0.05 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1pwz h PHE 44 Cb 0.75 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 1pwz h PHE 44 CO 0.07 0.35 0.59 0.00 -2.23 0.00 0.00 178.31 177.09 1pwz h ALA 45 N 0.90 1.55 -0.26 2.41 0.00 -1.08 0.07 119.26 122.85 1pwz h ALA 45 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1pwz h ALA 45 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pwz h ALA 45 CO -0.00 0.28 -0.38 1.05 0.00 0.00 0.00 179.25 180.19 1pwz h GLU 46 N 0.98 0.61 0.02 0.00 -0.00 -0.61 -3.03 114.58 112.55 1pwz h GLU 46 Ca 0.41 -0.30 -0.23 0.00 -0.00 0.00 0.00 59.36 59.25 1pwz h GLU 46 Cb 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.06 1pwz h GLU 46 CO -0.17 0.89 -0.97 1.15 -0.00 0.00 0.00 179.01 179.92 1pwz h THR 47 N 0.50 1.43 -3.01 -1.06 2.02 -0.60 -3.38 112.91 108.83 1pwz h THR 47 Ca 0.05 -2.56 -0.62 0.00 0.77 0.00 0.00 66.41 64.04 1pwz h THR 47 Cb 0.89 2.50 -0.42 0.00 -1.74 0.00 0.00 68.15 69.38 1pwz h THR 47 CO 0.08 0.76 -0.57 -1.22 0.37 0.00 0.00 175.52 174.94 1pwz n TYR 48 N -3.70 3.32 0.30 3.16 4.02 -0.05 -4.91 117.16 119.30 1pwz n TYR 48 Ca -0.06 -4.31 0.18 0.00 -0.01 0.00 0.00 57.90 53.70 1pwz n TYR 48 Cb 0.85 -0.63 0.86 0.00 -0.02 0.00 0.00 39.34 40.41 1pwz n TYR 48 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1pwz h PRO 49 N 5.27 0.00 -0.19 -0.72 0.13 -1.72 -1.60 132.00 133.16 1pwz h PRO 49 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1pwz h PRO 49 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1pwz h PRO 49 CO 0.73 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 1pwz n GLN 50 N -2.88 1.71 -4.37 0.86 0.00 -1.26 -4.84 117.38 106.59 1pwz n GLN 50 Ca -0.01 -1.07 -0.29 0.00 0.00 0.00 0.00 57.00 55.63 1pwz n GLN 50 Cb 0.17 -1.37 -0.13 0.00 0.00 0.00 0.00 30.24 28.92 1pwz n GLN 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1pwz s LEU 51 N -1.46 2.40 -0.70 2.61 1.43 -0.60 -4.56 118.68 117.79 1pwz s LEU 51 Ca 0.30 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1pwz s LEU 51 Cb 0.16 -1.28 0.18 0.00 0.03 0.00 0.00 46.19 45.28 1pwz s LEU 51 CO 0.24 0.18 0.52 -0.54 0.23 0.00 0.00 176.35 176.98 1pwz s LYS 52 N -2.12 2.68 0.07 1.70 -0.14 0.11 -4.91 119.74 117.14 1pwz s LYS 52 Ca 0.15 -2.88 -0.31 0.00 -1.36 0.00 0.00 55.97 51.58 1pwz s LYS 52 Cb -0.10 -3.70 -0.08 0.00 -1.68 0.00 0.00 37.83 32.28 1pwz s LYS 52 CO 0.07 -1.21 1.49 -1.25 -0.76 0.00 0.00 175.35 173.69 1pwz s PRO 53 N -0.66 4.26 0.16 -1.68 0.04 -1.26 0.05 135.00 135.91 1pwz s PRO 53 Ca 0.21 2.15 0.05 0.00 0.04 0.00 0.00 61.00 63.45 1pwz s PRO 53 Cb -0.15 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1pwz s PRO 53 CO -0.07 -0.58 0.14 -1.64 0.04 0.00 0.00 177.00 174.89 1pwz s MET 54 N 1.91 2.93 0.06 4.56 -1.94 0.21 -4.83 119.30 122.20 1pwz s MET 54 Ca 0.68 -0.84 0.22 0.00 -1.71 0.00 0.00 55.69 54.04 1pwz s MET 54 Cb -0.37 -2.67 -0.16 0.00 2.01 0.00 0.00 34.83 33.64 1pwz s MET 54 CO 0.30 0.49 0.76 -1.13 -0.01 0.00 0.00 175.02 175.43 1pwz n SER 55 N -0.31 0.41 -4.61 3.03 3.41 -1.26 -4.52 113.62 109.76 1pwz n SER 55 Ca -0.08 0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.14 1pwz n SER 55 Cb 0.54 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.77 1pwz n SER 55 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pwz n GLU 56 N -2.32 1.43 -0.03 4.33 4.71 -1.26 -4.49 120.64 123.01 1pwz n GLU 56 Ca -0.01 0.51 -0.03 0.00 -0.01 0.00 0.00 57.16 57.61 1pwz n GLU 56 Cb 0.53 -2.00 -0.03 0.00 -1.01 0.00 0.00 31.44 28.93 1pwz n GLU 56 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1pwz n GLN 57 N 0.38 1.16 -3.15 3.49 1.13 -1.26 -4.67 117.38 114.46 1pwz n GLN 57 Ca 0.09 0.02 -0.34 0.00 -1.94 0.00 0.00 57.00 54.83 1pwz n GLN 57 Cb 0.37 -1.12 -0.06 0.00 0.11 0.00 0.00 30.24 29.54 1pwz n GLN 57 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1pwz s GLU 58 N -2.11 4.10 0.11 -1.09 0.41 -1.26 -4.94 118.70 113.92 1pwz s GLU 58 Ca -0.06 0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 54.92 1pwz s GLU 58 Cb 0.02 -2.66 -0.11 0.00 -1.78 0.00 0.00 34.13 29.60 1pwz s GLU 58 CO 0.15 0.28 1.50 -1.35 -0.49 0.00 0.00 175.26 175.35 1pwz h PRO 59 N 2.83 -0.45 -0.43 0.39 0.11 -1.96 0.14 132.00 132.64 1pwz h PRO 59 Ca -0.48 0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1pwz h PRO 59 Cb 1.18 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 1pwz h PRO 59 CO 0.65 -0.30 0.20 0.00 -0.21 0.00 0.00 178.00 178.35 1pwz h ALA 60 N -0.31 0.53 -0.48 -0.75 0.00 -1.95 -1.20 119.26 115.09 1pwz h ALA 60 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pwz h ALA 60 Cb 0.59 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1pwz h ALA 60 CO -0.45 -0.17 0.25 1.05 0.00 0.00 0.00 179.25 179.94 1pwz h GLU 61 N 0.40 0.68 0.19 0.00 4.11 -1.91 -2.14 114.58 115.92 1pwz h GLU 61 Ca 0.19 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 1pwz h GLU 61 Cb 0.11 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1pwz h GLU 61 CO -0.14 0.55 -0.09 1.25 0.07 0.00 0.00 179.01 180.65 1pwz h LEU 62 N 0.64 -0.21 -0.44 3.06 5.85 -0.38 0.68 115.31 124.50 1pwz h LEU 62 Ca 0.17 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1pwz h LEU 62 Cb 0.08 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1pwz h LEU 62 CO -0.03 -0.04 0.19 0.40 -0.34 0.00 0.00 178.44 178.62 1pwz h ILE 63 N -0.38 0.91 -0.37 4.05 1.08 -1.22 -0.71 117.51 120.88 1pwz h ILE 63 Ca -0.03 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1pwz h ILE 63 Cb 0.29 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1pwz h ILE 63 CO 0.04 0.07 0.24 -0.33 -0.69 0.00 0.00 178.15 177.48 1pwz h GLU 64 N 0.38 0.49 -0.70 2.37 3.07 -1.28 0.43 114.58 119.34 1pwz h GLU 64 Ca 0.20 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1pwz h GLU 64 Cb 0.16 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1pwz h GLU 64 CO -0.18 0.34 0.43 0.00 -1.40 0.00 0.00 179.01 178.20 1pwz h ALA 65 N 1.13 0.89 0.00 3.43 0.00 -0.27 -0.76 119.26 123.68 1pwz h ALA 65 Ca 0.14 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1pwz h ALA 65 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1pwz h ALA 65 CO -0.03 0.35 -0.71 0.28 0.00 0.00 0.00 179.25 179.14 1pwz h VAL 66 N 0.95 1.45 -0.13 0.00 2.07 -0.99 -1.97 116.25 117.64 1pwz h VAL 66 Ca 0.25 -2.46 -0.10 0.00 0.82 0.00 0.00 66.70 65.21 1pwz h VAL 66 Cb -0.05 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1pwz h VAL 66 CO -0.05 0.69 -0.38 0.74 0.02 0.00 0.00 177.57 178.60 1pwz h THR 67 N 0.00 1.30 0.13 2.57 2.02 -0.38 -1.03 112.91 117.51 1pwz h THR 67 Ca -0.01 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1pwz h THR 67 Cb 1.29 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1pwz h THR 67 CO 0.09 0.44 -0.06 0.28 0.37 0.00 0.00 175.52 176.64 1pwz h SER 68 N 0.24 -0.14 -0.20 4.18 0.02 -1.02 -2.46 113.55 114.18 1pwz h SER 68 Ca 0.03 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1pwz h SER 68 Cb 0.78 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1pwz h SER 68 CO 0.06 0.45 0.13 0.00 -1.14 0.00 0.00 176.83 176.32 1pwz h ALA 69 N -0.62 0.25 -0.44 3.77 0.00 -1.41 -3.30 119.26 117.52 1pwz h ALA 69 Ca -0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 1pwz h ALA 69 Cb 0.42 -0.08 -0.19 0.00 0.00 0.00 0.00 17.79 17.94 1pwz h ALA 69 CO 0.03 -0.26 -0.33 0.66 0.00 0.00 0.00 179.25 179.35 1pwz n TYR 70 N -4.94 1.50 0.00 0.00 4.01 -0.39 -5.00 117.16 112.33 1pwz n TYR 70 Ca -0.03 -1.89 0.00 0.00 -0.16 0.00 0.00 57.90 55.82 1pwz n TYR 70 Cb 0.03 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.60 1pwz n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pwz n GLY 71 N -0.98 0.84 3.50 2.72 0.00 -0.93 -4.81 105.19 105.54 1pwz n GLY 71 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 1pwz n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwz n GLN 72 N 0.00 0.41 -3.93 1.61 10.64 -1.23 -4.77 117.38 120.10 1pwz n GLN 72 Ca 0.00 -1.07 -0.30 0.00 -1.83 0.00 0.00 57.00 53.80 1pwz n GLN 72 Cb 0.00 1.53 -0.16 0.00 -0.86 0.00 0.00 30.24 30.76 1pwz n GLN 72 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1pwz s VAL 73 N -2.08 1.47 -0.18 -0.39 1.01 -1.26 -4.52 120.40 114.45 1pwz s VAL 73 Ca 0.23 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1pwz s VAL 73 Cb -0.02 -1.72 -0.22 0.00 0.00 0.00 0.00 36.38 34.43 1pwz s VAL 73 CO 0.03 -0.06 0.11 0.47 0.00 0.00 0.00 175.10 175.65 1pwz n ASP 74 N 4.70 1.70 -4.12 3.32 9.92 -0.07 -4.86 116.55 127.15 1pwz n ASP 74 Ca -0.12 0.06 -0.30 0.00 -0.53 0.00 0.00 54.79 53.89 1pwz n ASP 74 Cb 0.45 -0.38 -0.17 0.00 -0.64 0.00 0.00 41.12 40.38 1pwz n ASP 74 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1pwz s VAL 75 N -2.54 1.76 -0.19 2.53 1.01 -0.69 -0.03 120.40 122.26 1pwz s VAL 75 Ca -0.25 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1pwz s VAL 75 Cb 0.08 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 1pwz s VAL 75 CO 0.71 0.49 -0.10 -0.22 0.00 0.00 0.00 175.10 175.98 1pwz s LEU 76 N 0.85 2.65 -0.37 3.92 2.96 0.11 -0.85 118.68 127.95 1pwz s LEU 76 Ca -0.08 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 1pwz s LEU 76 Cb -0.15 -1.64 0.10 0.00 0.50 0.00 0.00 46.19 45.00 1pwz s LEU 76 CO -0.01 0.03 0.12 -0.69 -1.32 0.00 0.00 176.35 174.48 1pwz s VAL 77 N 1.17 2.73 -1.07 1.68 1.01 -0.03 -0.34 120.40 125.55 1pwz s VAL 77 Ca 0.02 -2.22 -0.19 0.00 0.00 0.00 0.00 61.98 59.59 1pwz s VAL 77 Cb -0.14 -2.94 0.10 0.00 0.00 0.00 0.00 36.38 33.39 1pwz s VAL 77 CO -0.04 -0.64 1.40 -0.55 0.00 0.00 0.00 175.10 175.28 1pwz s SER 78 N 1.31 6.70 -1.12 3.32 0.15 0.41 -2.76 113.70 121.71 1pwz s SER 78 Ca 0.10 -2.07 -0.19 0.00 0.70 0.00 0.00 55.95 54.49 1pwz s SER 78 Cb -0.21 -2.49 0.10 0.00 -1.71 0.00 0.00 66.02 61.71 1pwz s SER 78 CO -0.06 -1.18 1.47 0.21 1.20 0.00 0.00 173.24 174.87 1pwz s ASN 79 N 4.08 6.73 0.12 5.45 2.47 -1.26 -1.55 114.94 130.98 1pwz s ASN 79 Ca 0.43 -2.15 -0.21 0.00 0.42 0.00 0.00 52.86 51.35 1pwz s ASN 79 Cb -0.01 -2.51 -0.07 0.00 -1.45 0.00 0.00 41.25 37.21 1pwz s ASN 79 CO -0.05 -1.18 0.64 -1.81 -3.72 0.00 0.00 177.10 170.99 1pwz s ASP 80 N 4.08 7.14 0.17 -4.21 1.01 -1.24 -4.34 116.67 119.28 1pwz s ASP 80 Ca 0.45 1.37 0.01 0.00 0.71 0.00 0.00 52.55 55.10 1pwz s ASP 80 Cb -0.00 -2.40 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1pwz s ASP 80 CO -0.03 0.22 0.01 0.27 0.21 0.00 0.00 175.17 175.86 1pwz s ILE 81 N -1.18 0.59 -0.23 0.77 -4.36 -1.26 -4.89 121.20 110.63 1pwz s ILE 81 Ca 0.33 -1.97 -0.28 0.00 -0.26 0.00 0.00 60.65 58.47 1pwz s ILE 81 Cb -0.20 -2.13 0.14 0.00 1.25 0.00 0.00 42.46 41.52 1pwz s ILE 81 CO 0.21 -0.46 1.09 0.12 0.24 0.00 0.00 174.94 176.15 1pwz s PHE 82 N -3.72 -0.34 -0.61 1.37 2.19 -1.26 -4.71 117.98 110.90 1pwz s PHE 82 Ca 0.24 0.71 -0.08 0.00 0.33 0.00 0.00 56.93 58.13 1pwz s PHE 82 Cb 0.06 0.43 0.16 0.00 -1.31 0.00 0.00 43.02 42.36 1pwz s PHE 82 CO 0.04 -0.24 0.48 0.00 1.83 0.00 0.00 175.22 177.34 1pwz s ALA 83 N -0.51 3.63 0.41 11.12 0.00 -1.26 -5.07 121.76 130.08 1pwz s ALA 83 Ca 0.02 -2.97 -0.03 0.00 0.00 0.00 0.00 51.96 48.98 1pwz s ALA 83 Cb -0.03 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1pwz s ALA 83 CO -0.04 -2.06 0.68 -1.25 0.00 0.00 0.00 175.76 173.08 1pwz s PRO 84 N 0.61 3.54 0.07 0.00 0.04 -1.26 -5.09 135.00 132.91 1pwz s PRO 84 Ca 0.12 0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.20 1pwz s PRO 84 Cb -0.20 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 1pwz s PRO 84 CO -0.04 -0.03 0.05 -1.21 0.04 0.00 0.00 177.00 175.81 1pwz s GLU 85 N -4.42 2.80 0.07 4.56 2.02 -1.26 -5.08 118.70 117.39 1pwz s GLU 85 Ca 0.45 -0.70 -0.24 0.00 0.02 0.00 0.00 54.97 54.49 1pwz s GLU 85 Cb -0.10 -2.68 -0.06 0.00 0.10 0.00 0.00 34.13 31.38 1pwz s GLU 85 CO 0.39 0.57 0.72 -0.06 0.02 0.00 0.00 175.26 176.91 1pwz s PHE 86 N -1.32 3.78 -0.20 1.61 0.08 -1.26 -4.83 117.98 115.84 1pwz s PHE 86 Ca 0.27 1.46 -0.30 0.00 0.12 0.00 0.00 56.93 58.47 1pwz s PHE 86 Cb -0.12 -2.74 0.15 0.00 -0.57 0.00 0.00 43.02 39.74 1pwz s PHE 86 CO 0.19 0.39 1.14 -0.65 -0.10 0.00 0.00 175.22 176.18 1pwz s GLN 87 N -0.50 0.39 0.54 0.44 -0.21 0.33 -5.02 119.66 115.64 1pwz s GLN 87 Ca 0.36 0.08 -0.22 0.00 0.02 0.00 0.00 55.36 55.60 1pwz s GLN 87 Cb -0.21 0.18 -0.05 0.00 1.00 0.00 0.00 33.01 33.94 1pwz s GLN 87 CO 0.23 -0.13 1.38 -2.14 -2.12 0.00 0.00 175.29 172.51 1pwz s PRO 88 N -1.16 3.17 0.38 2.91 0.02 -1.26 -4.48 135.00 134.58 1pwz s PRO 88 Ca 0.03 2.29 0.17 0.00 0.02 0.00 0.00 61.00 63.51 1pwz s PRO 88 Cb -0.01 -2.29 1.08 0.00 0.02 0.00 0.00 34.50 33.30 1pwz s PRO 88 CO -0.02 -1.19 1.74 0.97 -0.33 0.00 0.00 177.00 178.17 1pwz h ILE 89 N 1.52 0.48 0.00 2.83 6.09 -1.96 0.19 117.51 126.66 1pwz h ILE 89 Ca -0.51 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.84 1pwz h ILE 89 Cb 1.30 0.04 0.00 0.00 0.47 0.00 0.00 36.82 38.63 1pwz h ILE 89 CO 0.57 0.07 0.00 -2.24 -3.07 0.00 0.00 178.15 173.49 1pwz h ASP 90 N 0.41 0.00 0.64 2.19 2.03 -2.03 -3.02 116.42 116.64 1pwz h ASP 90 Ca 0.63 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.93 1pwz h ASP 90 Cb 1.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.04 1pwz h ASP 90 CO -0.36 0.00 -0.30 0.29 -1.03 0.00 0.00 179.24 177.84 1pwz n LYS 91 N -3.08 0.09 -1.98 4.15 4.76 0.64 -4.86 118.16 117.87 1pwz n LYS 91 Ca 0.02 -0.04 -0.28 0.00 -2.87 0.00 0.00 58.31 55.14 1pwz n LYS 91 Cb 0.41 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.18 1pwz n LYS 91 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1pwz s TYR 92 N -2.94 3.02 0.06 2.13 1.51 -1.11 -4.94 117.35 115.09 1pwz s TYR 92 Ca 0.14 0.74 0.06 0.00 -1.01 0.00 0.00 57.07 57.00 1pwz s TYR 92 Cb 0.18 -3.32 -0.04 0.00 -0.11 0.00 0.00 41.96 38.67 1pwz s TYR 92 CO 0.62 -1.55 -0.13 0.00 -1.11 0.00 0.00 175.55 173.38 1pwz s ALA 93 N -3.44 2.82 0.48 3.71 0.00 -1.26 -5.00 121.76 119.06 1pwz s ALA 93 Ca 0.61 -1.19 0.20 0.00 0.00 0.00 0.00 51.96 51.58 1pwz s ALA 93 Cb -0.11 -0.87 1.21 0.00 0.00 0.00 0.00 23.12 23.35 1pwz s ALA 93 CO 0.48 0.61 1.97 0.28 0.00 0.00 0.00 175.76 179.10 1pwz h VAL 94 N 3.64 0.79 0.00 0.00 2.07 -1.98 0.29 116.25 121.06 1pwz h VAL 94 Ca -0.48 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1pwz h VAL 94 Cb 1.16 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1pwz h VAL 94 CO 0.50 0.04 -0.13 -0.33 0.02 0.00 0.00 177.57 177.68 1pwz h GLU 95 N 0.22 0.00 0.00 1.57 3.07 -1.99 -1.44 114.58 116.01 1pwz h GLU 95 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1pwz h GLU 95 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1pwz h GLU 95 CO -0.06 0.13 0.00 -0.25 -1.40 0.00 0.00 179.01 177.43 1pwz n ASP 96 N -3.66 0.06 -0.12 1.42 8.00 0.10 -1.18 116.55 121.18 1pwz n ASP 96 Ca -0.02 0.51 -0.22 0.00 0.71 0.00 0.00 54.79 55.77 1pwz n ASP 96 Cb 0.25 -0.53 -0.12 0.00 -0.02 0.00 0.00 41.12 40.70 1pwz n ASP 96 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pwz n TYR 97 N -1.57 0.17 -0.09 1.24 9.36 -0.57 -3.76 117.16 121.93 1pwz n TYR 97 Ca 0.04 0.05 -0.07 0.00 3.32 0.00 0.00 57.90 61.24 1pwz n TYR 97 Cb 0.22 -1.02 0.01 0.00 -0.63 0.00 0.00 39.34 37.92 1pwz n TYR 97 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pwz h ARG 98 N -0.34 0.21 -0.29 2.98 3.08 -1.33 0.24 114.38 118.93 1pwz h ARG 98 Ca -0.59 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.50 1pwz h ARG 98 Cb 1.80 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.75 1pwz h ARG 98 CO -0.18 0.14 -0.06 0.78 -1.07 0.00 0.00 179.97 179.58 1pwz h GLY 99 N 0.22 0.22 1.00 0.04 0.00 -1.35 0.47 103.07 103.67 1pwz h GLY 99 Ca 0.15 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1pwz h GLY 99 CO -0.17 -0.11 0.36 0.00 0.00 0.00 0.00 176.54 176.62 1pwz h ALA 100 N 1.29 0.78 -0.11 3.60 0.00 -1.47 -1.99 119.26 121.36 1pwz h ALA 100 Ca 0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1pwz h ALA 100 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pwz h ALA 100 CO -0.29 0.27 -0.42 0.28 0.00 0.00 0.00 179.25 179.08 1pwz h VAL 101 N 0.83 1.31 -0.37 0.00 2.07 0.13 -0.68 116.25 119.55 1pwz h VAL 101 Ca 0.22 -1.55 -0.11 0.00 0.82 0.00 0.00 66.70 66.08 1pwz h VAL 101 Cb -0.01 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1pwz h VAL 101 CO -0.04 0.46 -0.21 -0.08 0.02 0.00 0.00 177.57 177.72 1pwz h GLU 102 N 0.21 0.73 0.02 1.57 4.57 0.38 -0.41 114.58 121.65 1pwz h GLU 102 Ca 0.02 -0.28 -0.30 0.00 -1.18 0.00 0.00 59.36 57.61 1pwz h GLU 102 Cb 0.84 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.34 1pwz h GLU 102 CO 0.07 0.88 -1.75 0.00 -1.18 0.00 0.00 179.01 177.02 1pwz n ALA 103 N -2.50 1.40 0.32 2.92 0.00 -0.79 -2.05 120.51 119.81 1pwz n ALA 103 Ca 0.00 -0.74 0.11 0.00 0.00 0.00 0.00 53.44 52.81 1pwz n ALA 103 Cb 0.42 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 1pwz n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pwz n LEU 104 N -3.11 0.46 0.04 0.00 4.77 -0.27 -4.33 117.00 114.55 1pwz n LEU 104 Ca -0.19 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1pwz n LEU 104 Cb 1.05 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1pwz n LEU 104 CO 0.45 0.01 -0.10 0.00 -1.33 0.00 0.00 177.39 176.42 1pwz n GLN 105 N -2.14 0.00 -0.33 3.23 6.02 -0.29 -4.52 117.38 119.35 1pwz n GLN 105 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1pwz n GLN 105 Cb 0.50 -0.49 0.12 0.00 1.02 0.00 0.00 30.24 31.39 1pwz n GLN 105 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1pwz h ILE 106 N 0.00 1.13 0.88 5.09 1.08 -1.27 -2.15 117.51 122.28 1pwz h ILE 106 Ca 0.00 -0.38 -0.04 0.00 -0.39 0.00 0.00 64.86 64.05 1pwz h ILE 106 Cb 0.19 -0.07 0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1pwz h ILE 106 CO 0.00 0.20 -0.42 -0.09 -0.69 0.00 0.00 178.15 177.15 1pwz h ARG 107 N 1.11 -1.14 -0.21 2.37 9.65 -1.61 0.27 114.38 124.82 1pwz h ARG 107 Ca 0.36 0.08 0.01 0.00 -1.10 0.00 0.00 59.98 59.33 1pwz h ARG 107 Cb 0.03 0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 1pwz h ARG 107 CO -0.13 -0.76 0.14 -1.00 2.80 0.00 0.00 179.97 181.02 1pwz h PRO 108 N -1.19 0.23 -0.47 0.20 0.13 -1.78 -1.38 132.00 127.74 1pwz h PRO 108 Ca -0.12 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.89 1pwz h PRO 108 Cb 0.91 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1pwz h PRO 108 CO 0.20 0.15 -0.11 0.35 -0.23 0.00 0.00 178.00 178.37 1pwz h PHE 109 N 0.24 1.02 -0.56 1.56 3.04 -1.06 -2.40 116.94 118.78 1pwz h PHE 109 Ca 0.08 -0.22 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 1pwz h PHE 109 Cb 0.04 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.27 1pwz h PHE 109 CO -0.00 0.99 0.32 0.00 -2.02 0.00 0.00 178.31 177.60 1pwz h ALA 110 N 0.89 0.72 -0.23 2.41 0.00 0.58 -0.34 119.26 123.29 1pwz h ALA 110 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pwz h ALA 110 Cb 0.65 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1pwz h ALA 110 CO 0.05 0.23 0.11 -0.07 0.00 0.00 0.00 179.25 179.57 1pwz h LEU 111 N 0.76 0.30 -0.83 0.00 3.38 -1.23 -1.92 115.31 115.78 1pwz h LEU 111 Ca 0.20 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1pwz h LEU 111 Cb 0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1pwz h LEU 111 CO -0.03 0.34 -0.11 0.58 0.09 0.00 0.00 178.44 179.31 1pwz h VAL 112 N 0.25 1.26 0.00 1.22 2.07 -1.32 -1.42 116.25 118.30 1pwz h VAL 112 Ca 0.08 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1pwz h VAL 112 Cb 0.12 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1pwz h VAL 112 CO -0.01 0.40 -0.00 -1.13 0.02 0.00 0.00 177.57 176.84 1pwz h ASN 113 N 0.69 0.00 0.19 0.57 -0.73 -0.80 0.18 115.58 115.68 1pwz h ASN 113 Ca 0.12 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.94 1pwz h ASN 113 Cb 0.58 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.13 1pwz h ASN 113 CO 0.04 0.00 -2.03 0.00 -0.37 0.00 0.00 177.43 175.07 1pwz n ALA 114 N -2.10 1.18 0.58 1.57 0.00 -0.62 -4.46 120.51 116.67 1pwz n ALA 114 Ca -0.02 -0.78 0.11 0.00 0.00 0.00 0.00 53.44 52.75 1pwz n ALA 114 Cb 0.13 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 1pwz n ALA 114 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1pwz n VAL 115 N -3.27 0.09 -0.18 0.00 3.14 -0.72 -4.58 118.33 112.80 1pwz n VAL 115 Ca -0.30 -0.22 -0.01 0.00 -2.96 0.00 0.00 64.34 60.85 1pwz n VAL 115 Cb 1.05 0.39 0.09 0.00 -1.06 0.00 0.00 33.84 34.30 1pwz n VAL 115 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pwz h ALA 116 N 2.56 0.59 -0.47 1.55 0.00 -0.87 -2.87 119.26 119.76 1pwz h ALA 116 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pwz h ALA 116 Cb 0.72 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1pwz h ALA 116 CO 0.00 -0.36 0.27 0.66 0.00 0.00 0.00 179.25 179.82 1pwz h SER 117 N 0.17 0.57 -0.17 0.00 4.64 -1.84 -1.12 113.55 115.80 1pwz h SER 117 Ca 0.29 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.47 1pwz h SER 117 Cb 0.44 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1pwz h SER 117 CO -0.43 0.47 -0.08 0.06 -0.87 0.00 0.00 176.83 175.99 1pwz h GLN 118 N 0.62 0.51 -0.31 4.77 3.07 -1.83 -1.67 115.11 120.27 1pwz h GLN 118 Ca 0.17 -0.13 -0.14 0.00 0.09 0.00 0.00 58.65 58.64 1pwz h GLN 118 Cb 0.02 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 27.51 1pwz h GLN 118 CO -0.03 0.59 -0.34 0.52 0.09 0.00 0.00 178.83 179.66 1pwz h MET 119 N 0.47 0.77 -0.05 0.06 2.86 -1.28 -2.84 114.93 114.93 1pwz h MET 119 Ca 0.09 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.27 1pwz h MET 119 Cb 0.43 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1pwz h MET 119 CO 0.02 1.05 -0.18 0.87 1.06 0.00 0.00 176.91 179.73 1pwz h LYS 120 N 0.53 0.07 -0.26 1.72 1.57 -0.92 0.54 116.57 119.82 1pwz h LYS 120 Ca 0.04 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1pwz h LYS 120 Cb 0.92 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1pwz h LYS 120 CO 0.08 0.25 -0.28 0.87 -0.57 0.00 0.00 179.45 179.80 1pwz h LYS 121 N 0.07 0.65 0.00 3.15 1.57 -1.20 -3.02 116.57 117.79 1pwz h LYS 121 Ca 0.01 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1pwz h LYS 121 Cb 0.36 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1pwz h LYS 121 CO 0.02 0.96 -0.18 0.00 -0.57 0.00 0.00 179.45 179.68 1pwz h ARG 122 N 0.37 0.00 -4.90 3.15 3.08 -1.26 -3.47 114.38 111.34 1pwz h ARG 122 Ca 0.04 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.81 1pwz h ARG 122 Cb 0.85 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.03 1pwz h ARG 122 CO 0.07 0.11 -0.60 1.63 -1.07 0.00 0.00 179.97 180.11 1pwz n LYS 123 N -3.10 -5.56 -3.59 0.04 5.02 0.18 -5.02 118.16 106.14 1pwz n LYS 123 Ca 0.03 0.67 -0.13 0.00 -2.02 0.00 0.00 58.31 56.86 1pwz n LYS 123 Cb 0.58 -5.19 -0.06 0.00 -0.02 0.00 0.00 35.03 30.33 1pwz n LYS 123 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pwz s SER 124 N -3.88 -0.58 0.00 4.39 1.04 -0.94 -4.56 113.70 109.17 1pwz s SER 124 Ca 0.11 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.45 1pwz s SER 124 Cb -0.05 0.85 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1pwz s SER 124 CO 0.58 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1pwz n GLY 125 N 1.73 2.78 2.87 7.32 0.00 -1.26 -4.62 105.19 114.01 1pwz n GLY 125 Ca -0.14 -1.36 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 1pwz n GLY 125 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pwz s HIS 126 N -2.00 -0.11 -0.13 1.61 3.76 0.95 -3.39 115.29 115.98 1pwz s HIS 126 Ca 0.00 0.38 0.01 0.00 -0.15 0.00 0.00 55.06 55.30 1pwz s HIS 126 Cb 0.00 -0.14 -0.01 0.00 1.11 0.00 0.00 32.58 33.54 1pwz s HIS 126 CO 0.00 -0.15 -0.15 0.42 -0.85 0.00 0.00 174.74 174.01 1pwz s ILE 127 N 1.21 2.77 -0.06 0.60 1.01 -0.82 -0.72 121.20 125.19 1pwz s ILE 127 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1pwz s ILE 127 Cb -0.12 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.22 1pwz s ILE 127 CO -0.05 0.53 -0.04 -0.63 0.00 0.00 0.00 174.94 174.74 1pwz s ILE 128 N 0.50 0.61 -0.16 2.92 1.01 0.54 -0.72 121.20 125.91 1pwz s ILE 128 Ca -0.10 -0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 1pwz s ILE 128 Cb -0.16 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1pwz s ILE 128 CO 0.04 0.27 0.06 -0.36 0.00 0.00 0.00 174.94 174.96 1pwz s PHE 129 N 1.33 3.28 -0.41 3.97 2.99 0.10 -0.44 117.98 128.80 1pwz s PHE 129 Ca -0.04 0.15 -0.15 0.00 0.00 0.00 0.00 56.93 56.88 1pwz s PHE 129 Cb -0.14 -2.03 0.02 0.00 0.00 0.00 0.00 43.02 40.88 1pwz s PHE 129 CO -0.02 0.26 0.31 0.42 -0.00 0.00 0.00 175.22 176.19 1pwz s ILE 130 N 0.05 5.25 0.00 0.64 -1.09 -0.59 -0.68 121.20 124.78 1pwz s ILE 130 Ca 0.06 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 1pwz s ILE 130 Cb -0.12 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1pwz s ILE 130 CO 0.01 -0.32 0.00 0.35 -1.23 0.00 0.00 174.94 173.75 1pwz n THR 131 N 5.17 0.00 -3.59 2.92 -2.24 -0.73 -3.64 114.28 112.17 1pwz n THR 131 Ca -0.11 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.59 1pwz n THR 131 Cb 0.47 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 1pwz n THR 131 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1pwz s SER 132 N -0.29 -0.28 0.00 3.42 0.15 -1.26 -4.51 113.70 110.94 1pwz s SER 132 Ca 0.00 0.28 0.27 0.00 0.70 0.00 0.00 55.95 57.20 1pwz s SER 132 Cb 0.00 0.23 0.85 0.00 -1.71 0.00 0.00 66.02 65.39 1pwz s SER 132 CO 0.00 -0.27 1.63 0.00 1.20 0.00 0.00 173.24 175.80 1pwz n ALA 133 N 0.61 2.58 -0.10 5.45 0.00 -0.52 -4.32 120.51 124.21 1pwz n ALA 133 Ca -0.07 -0.50 0.08 0.00 0.00 0.00 0.00 53.44 52.95 1pwz n ALA 133 Cb 0.58 -1.09 0.43 0.00 0.00 0.00 0.00 19.45 19.37 1pwz n ALA 133 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1pwz h THR 134 N 2.81 0.99 -0.59 0.00 1.35 -1.85 -1.64 112.91 113.98 1pwz h THR 134 Ca 0.00 -0.20 0.08 0.00 -0.55 0.00 0.00 66.41 65.74 1pwz h THR 134 Cb 0.61 0.36 -0.04 0.00 -1.73 0.00 0.00 68.15 67.36 1pwz h THR 134 CO 0.00 0.10 0.39 -0.65 -0.25 0.00 0.00 175.52 175.12 1pwz h PRO 135 N 0.58 0.47 -0.57 4.72 0.11 -1.81 -1.20 132.00 134.28 1pwz h PRO 135 Ca 0.26 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.24 1pwz h PRO 135 Cb 0.30 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1pwz h PRO 135 CO -0.08 0.31 -0.06 0.35 -0.21 0.00 0.00 178.00 178.31 1pwz h PHE 136 N 0.48 1.17 -2.58 0.65 3.57 -1.61 -3.36 116.94 115.25 1pwz h PHE 136 Ca 0.26 -0.22 -0.59 0.00 3.53 0.00 0.00 57.97 60.94 1pwz h PHE 136 Cb 0.41 -0.29 -0.39 0.00 2.79 0.00 0.00 35.95 38.47 1pwz h PHE 136 CO -0.00 1.05 -0.87 0.20 -2.23 0.00 0.00 178.31 176.46 1pwz s GLY 137 N -3.61 1.40 0.35 2.40 0.00 -0.74 -5.01 107.32 102.11 1pwz s GLY 137 Ca -0.12 -2.52 -0.28 0.00 0.00 0.00 0.00 44.72 41.80 1pwz s GLY 137 CO 0.86 1.92 1.34 -4.14 0.00 0.00 0.00 173.10 173.08 1pwz s PRO 138 N 0.11 4.24 0.22 2.90 0.02 -0.53 -4.74 135.00 137.22 1pwz s PRO 138 Ca 0.27 2.27 0.02 0.00 0.02 0.00 0.00 61.00 63.58 1pwz s PRO 138 Cb -0.06 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 1pwz s PRO 138 CO -0.13 -0.31 0.37 -1.58 -0.33 0.00 0.00 177.00 175.03 1pwz s TRP 139 N -1.16 3.48 0.52 6.54 0.51 -1.26 -5.07 118.94 122.49 1pwz s TRP 139 Ca 0.51 0.16 -0.18 0.00 -2.12 0.00 0.00 56.10 54.47 1pwz s TRP 139 Cb -0.41 -1.71 -0.07 0.00 -0.81 0.00 0.00 33.47 30.47 1pwz s TRP 139 CO 0.54 0.40 1.01 -1.59 -0.51 0.00 0.00 176.95 176.81 1pwz s LYS 140 N -3.65 3.76 -1.01 4.98 -2.85 -1.26 -4.03 119.74 115.68 1pwz s LYS 140 Ca 0.36 1.14 -0.00 0.00 -1.00 0.00 0.00 55.97 56.47 1pwz s LYS 140 Cb -0.10 -2.10 0.00 0.00 -2.06 0.00 0.00 37.83 33.57 1pwz s LYS 140 CO 0.30 -0.44 0.06 0.39 0.10 0.00 0.00 175.35 175.75 1pwz n GLU 141 N -1.45 -1.26 -2.42 1.78 1.02 -1.26 -4.90 120.64 112.15 1pwz n GLU 141 Ca 0.08 0.57 0.01 0.00 -0.02 0.00 0.00 57.16 57.80 1pwz n GLU 141 Cb 0.53 -4.72 0.04 0.00 -0.02 0.00 0.00 31.44 27.27 1pwz n GLU 141 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1pwz n LEU 142 N -1.84 1.16 0.26 -4.62 7.94 -1.26 -0.51 117.00 118.14 1pwz n LEU 142 Ca -0.13 -2.73 0.10 0.00 -1.11 0.00 0.00 56.01 52.14 1pwz n LEU 142 Cb 0.60 0.31 0.68 0.00 0.53 0.00 0.00 43.42 45.54 1pwz n LEU 142 CO 0.18 0.94 1.01 0.77 -1.11 0.00 0.00 177.39 179.18 1pwz h SER 143 N 2.01 0.00 0.11 1.96 4.64 -1.86 -1.73 113.55 118.68 1pwz h SER 143 Ca -0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1pwz h SER 143 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1pwz h SER 143 CO 0.12 0.09 -0.05 0.71 -0.87 0.00 0.00 176.83 176.82 1pwz h THR 144 N 0.00 0.80 -0.60 2.95 1.35 -1.92 -2.98 112.91 112.52 1pwz h THR 144 Ca -0.00 -1.30 -0.03 0.00 -0.55 0.00 0.00 66.41 64.53 1pwz h THR 144 Cb 0.18 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.99 1pwz h THR 144 CO 0.01 0.24 0.24 0.22 -0.25 0.00 0.00 175.52 175.98 1pwz h TYR 145 N -0.93 0.87 -0.03 4.73 5.03 -1.89 -1.96 116.97 122.79 1pwz h TYR 145 Ca -0.02 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 1pwz h TYR 145 Cb 0.50 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.52 1pwz h TYR 145 CO 0.10 0.67 -0.07 1.15 -1.32 0.00 0.00 178.16 178.69 1pwz h THR 146 N 0.85 1.45 -0.10 1.81 2.02 -1.45 -2.78 112.91 114.72 1pwz h THR 146 Ca 0.20 -1.44 -0.07 0.00 0.77 0.00 0.00 66.41 65.87 1pwz h THR 146 Cb 0.16 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1pwz h THR 146 CO -0.02 0.39 -0.28 0.77 0.37 0.00 0.00 175.52 176.75 1pwz h SER 147 N -0.46 0.17 -0.66 4.18 4.64 -1.51 -2.52 113.55 117.40 1pwz h SER 147 Ca -0.00 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 1pwz h SER 147 Cb 0.66 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 1pwz h SER 147 CO 0.01 0.46 0.17 0.00 -0.87 0.00 0.00 176.83 176.60 1pwz h ALA 148 N 1.56 0.86 -0.51 5.18 0.00 -1.38 -2.41 119.26 122.56 1pwz h ALA 148 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1pwz h ALA 148 Cb 0.59 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1pwz h ALA 148 CO 0.04 0.57 0.17 0.00 0.00 0.00 0.00 179.25 180.04 1pwz h ARG 149 N 0.97 0.74 -0.11 0.00 2.47 -1.17 -2.05 114.38 115.24 1pwz h ARG 149 Ca 0.21 -0.12 -0.08 0.00 -1.26 0.00 0.00 59.98 58.72 1pwz h ARG 149 Cb 0.35 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 1pwz h ARG 149 CO 0.00 0.64 -0.31 0.00 0.56 0.00 0.00 179.97 180.86 1pwz h ALA 150 N 1.46 1.28 -0.53 0.04 0.00 -1.11 -1.08 119.26 119.33 1pwz h ALA 150 Ca 0.17 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1pwz h ALA 150 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1pwz h ALA 150 CO -0.01 0.49 -0.06 0.78 0.00 0.00 0.00 179.25 180.45 1pwz h GLY 151 N 1.05 1.05 0.90 0.00 0.00 -0.90 -1.74 103.07 103.42 1pwz h GLY 151 Ca 0.03 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 1pwz h GLY 151 CO 0.05 0.75 0.03 0.00 0.00 0.00 0.00 176.54 177.36 1pwz h ALA 152 N 0.93 0.07 0.08 3.60 0.00 -0.89 0.55 119.26 123.60 1pwz h ALA 152 Ca 0.14 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1pwz h ALA 152 Cb 0.61 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1pwz h ALA 152 CO 0.04 -0.38 -0.24 0.00 0.00 0.00 0.00 179.25 178.67 1pwz h THR 154 N -0.42 1.06 -0.39 0.00 2.02 -1.25 -1.48 112.91 112.46 1pwz h THR 154 Ca 0.04 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1pwz h THR 154 Cb 0.46 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1pwz h THR 154 CO -0.16 0.07 0.15 0.25 0.37 0.00 0.00 175.52 176.20 1pwz h LEU 155 N 0.15 0.53 -0.18 2.58 6.46 0.19 -0.07 115.31 124.97 1pwz h LEU 155 Ca 0.04 -0.17 0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1pwz h LEU 155 Cb 0.06 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 1pwz h LEU 155 CO -0.00 0.56 0.07 0.00 -0.62 0.00 0.00 178.44 178.44 1pwz h ALA 156 N 1.00 0.21 -0.55 1.25 0.00 -0.24 0.10 119.26 121.02 1pwz h ALA 156 Ca 0.13 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1pwz h ALA 156 Cb 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1pwz h ALA 156 CO -0.01 -0.36 0.12 -0.97 0.00 0.00 0.00 179.25 178.03 1pwz h ASN 157 N 0.16 0.84 -0.57 0.00 -0.73 -1.28 -0.31 115.58 113.69 1pwz h ASN 157 Ca 0.08 -0.24 -0.03 0.00 1.87 0.00 0.00 56.30 57.98 1pwz h ASN 157 Cb 0.04 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.39 1pwz h ASN 157 CO -0.08 0.86 0.24 0.00 -0.37 0.00 0.00 177.43 178.08 1pwz h ALA 158 N 1.01 0.74 -0.36 1.57 0.00 -0.79 -2.35 119.26 119.08 1pwz h ALA 158 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1pwz h ALA 158 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1pwz h ALA 158 CO 0.00 0.34 0.01 -0.07 0.00 0.00 0.00 179.25 179.53 1pwz h LEU 159 N 0.78 0.52 -2.25 0.00 3.38 -0.71 -2.23 115.31 114.80 1pwz h LEU 159 Ca 0.19 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1pwz h LEU 159 Cb 0.18 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1pwz h LEU 159 CO -0.02 0.58 0.03 0.77 0.09 0.00 0.00 178.44 179.89 1pwz h SER 160 N 0.53 0.00 -0.21 -0.43 4.64 -0.49 -1.61 113.55 115.97 1pwz h SER 160 Ca 0.11 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 1pwz h SER 160 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1pwz h SER 160 CO 0.01 0.00 -0.41 0.11 -0.87 0.00 0.00 176.83 175.67 1pwz h LYS 161 N 0.00 0.65 0.17 4.77 1.79 -1.32 -2.67 116.57 119.97 1pwz h LYS 161 Ca 0.01 -0.42 -0.33 0.00 -2.18 0.00 0.00 60.65 57.74 1pwz h LYS 161 Cb 0.07 0.05 0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1pwz h LYS 161 CO -0.00 1.03 -1.57 1.05 -1.08 0.00 0.00 179.45 178.88 1pwz h GLU 162 N 0.35 0.36 0.00 3.15 4.11 -1.54 -3.35 114.58 117.65 1pwz h GLU 162 Ca 0.01 -0.61 0.00 0.00 0.07 0.00 0.00 59.36 58.83 1pwz h GLU 162 Cb 1.01 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1pwz h GLU 162 CO 0.09 1.26 0.00 -0.07 0.07 0.00 0.00 179.01 180.36 1pwz h LEU 163 N 0.10 0.00 -2.05 3.06 3.38 -1.42 -3.19 115.31 115.19 1pwz h LEU 163 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1pwz h LEU 163 Cb 2.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.82 1pwz h LEU 163 CO 0.19 0.00 -0.04 1.23 0.09 0.00 0.00 178.44 179.92 1pwz h GLY 164 N 3.24 0.00 2.00 0.83 0.00 -1.61 0.17 103.07 107.70 1pwz h GLY 164 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1pwz h GLY 164 CO 0.00 0.00 -0.14 -2.09 0.00 0.00 0.00 176.54 174.31 1pwz h GLU 165 N 0.00 0.00 -0.60 4.80 4.81 -1.78 -1.50 114.58 120.31 1pwz h GLU 165 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pwz h GLU 165 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1pwz h GLU 165 CO 0.00 0.14 0.00 0.66 -0.73 0.00 0.00 179.01 179.08 1pwz n TYR 166 N -3.50 1.60 -3.60 0.92 4.01 0.01 -4.94 117.16 111.65 1pwz n TYR 166 Ca -0.01 -0.66 -0.24 0.00 -0.16 0.00 0.00 57.90 56.83 1pwz n TYR 166 Cb 0.29 -0.32 0.08 0.00 -0.31 0.00 0.00 39.34 39.08 1pwz n TYR 166 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1pwz n ASN 167 N 0.87 -6.10 -4.08 7.72 5.15 -0.57 -3.38 115.26 114.86 1pwz n ASN 167 Ca 0.26 -0.55 -0.33 0.00 -0.60 0.00 0.00 54.58 53.35 1pwz n ASN 167 Cb 0.97 -5.00 -0.14 0.00 -0.53 0.00 0.00 39.78 35.08 1pwz n ASN 167 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pwz s ILE 168 N -3.32 2.58 0.65 -1.44 1.01 -0.96 -4.23 121.20 115.49 1pwz s ILE 168 Ca 0.56 -1.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.13 1pwz s ILE 168 Cb -0.25 -2.70 -0.00 0.00 0.01 0.00 0.00 42.46 39.52 1pwz s ILE 168 CO 0.73 -0.38 1.10 -2.84 0.00 0.00 0.00 174.94 173.55 1pwz s PRO 169 N 1.06 2.87 -0.04 2.79 0.02 -1.22 -4.02 135.00 136.46 1pwz s PRO 169 Ca 0.02 1.32 -0.01 0.00 0.02 0.00 0.00 61.00 62.35 1pwz s PRO 169 Cb -0.20 -1.97 0.03 0.00 0.02 0.00 0.00 34.50 32.39 1pwz s PRO 169 CO -0.05 -1.18 0.06 0.08 -0.33 0.00 0.00 177.00 175.58 1pwz s VAL 170 N -2.43 -0.10 0.24 3.83 1.01 -1.26 -1.95 120.40 119.74 1pwz s VAL 170 Ca 0.65 0.32 0.04 0.00 0.00 0.00 0.00 61.98 63.00 1pwz s VAL 170 Cb -0.19 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 1pwz s VAL 170 CO 0.42 0.13 -0.01 -0.36 0.00 0.00 0.00 175.10 175.28 1pwz s PHE 171 N 1.67 1.63 -0.04 5.22 0.40 0.10 -0.74 117.98 126.22 1pwz s PHE 171 Ca -0.02 -0.88 0.02 0.00 -0.60 0.00 0.00 56.93 55.45 1pwz s PHE 171 Cb -0.12 -0.94 0.01 0.00 0.51 0.00 0.00 43.02 42.48 1pwz s PHE 171 CO -0.03 0.02 -0.07 0.00 0.70 0.00 0.00 175.22 175.83 1pwz s ALA 172 N -3.35 0.82 -0.34 5.36 0.00 -0.90 -0.73 121.76 122.63 1pwz s ALA 172 Ca 0.28 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1pwz s ALA 172 Cb 0.05 -0.40 0.10 0.00 0.00 0.00 0.00 23.12 22.87 1pwz s ALA 172 CO 0.09 0.07 0.06 0.42 0.00 0.00 0.00 175.76 176.39 1pwz s ILE 173 N 0.61 2.45 -0.63 0.00 1.01 0.14 0.48 121.20 125.27 1pwz s ILE 173 Ca -0.09 -2.19 -0.21 0.00 0.00 0.00 0.00 60.65 58.15 1pwz s ILE 173 Cb -0.13 -2.74 0.08 0.00 0.01 0.00 0.00 42.46 39.69 1pwz s ILE 173 CO 0.01 -0.53 0.87 -0.83 0.00 0.00 0.00 174.94 174.45 1pwz s GLY 174 N 1.08 1.52 0.59 6.18 0.00 0.27 -1.78 107.32 115.18 1pwz s GLY 174 Ca 0.08 -1.95 -0.05 0.00 0.00 0.00 0.00 44.72 42.80 1pwz s GLY 174 CO -0.07 1.88 0.88 -4.14 0.00 0.00 0.00 173.10 171.66 1pwz s PRO 175 N 3.55 2.83 -0.27 2.90 0.02 -1.26 -0.79 135.00 141.98 1pwz s PRO 175 Ca 0.19 -0.12 -0.24 0.00 0.02 0.00 0.00 61.00 60.85 1pwz s PRO 175 Cb -0.19 -2.30 0.07 0.00 0.02 0.00 0.00 34.50 32.10 1pwz s PRO 175 CO 0.09 -0.72 0.73 1.21 -0.33 0.00 0.00 177.00 177.99 1pwz s ASN 176 N -4.33 -0.76 -1.36 2.53 3.84 -0.21 -1.44 114.94 113.21 1pwz s ASN 176 Ca 0.54 1.43 -0.08 0.00 0.21 0.00 0.00 52.86 54.96 1pwz s ASN 176 Cb -0.10 1.43 0.01 0.00 -0.55 0.00 0.00 41.25 42.03 1pwz s ASN 176 CO 0.44 -0.24 1.05 -1.22 -2.79 0.00 0.00 177.10 174.34 1pwz n TYR 177 N 2.88 -2.65 -3.22 0.43 4.02 -1.26 -4.36 117.16 113.00 1pwz n TYR 177 Ca -0.15 0.90 -0.41 0.00 -0.01 0.00 0.00 57.90 58.24 1pwz n TYR 177 Cb 0.56 -4.85 -0.08 0.00 -0.02 0.00 0.00 39.34 34.95 1pwz n TYR 177 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1pwz s LEU 178 N -7.03 4.17 -0.14 7.72 2.96 -1.26 0.15 118.68 125.25 1pwz s LEU 178 Ca 0.52 0.29 -0.34 0.00 -0.22 0.00 0.00 54.13 54.38 1pwz s LEU 178 Cb -0.23 -2.65 -0.11 0.00 0.50 0.00 0.00 46.19 43.70 1pwz s LEU 178 CO 0.65 -0.39 1.96 1.57 -1.32 0.00 0.00 176.35 178.81 1pwz n HIS 179 N 5.67 2.20 -0.66 5.38 -0.00 0.14 -3.89 115.22 124.07 1pwz n HIS 179 Ca -0.04 0.02 0.09 0.00 -0.00 0.00 0.00 57.72 57.79 1pwz n HIS 179 Cb 0.49 -2.65 0.33 0.00 -0.00 0.00 0.00 29.99 28.16 1pwz n HIS 179 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1pwz n SER 180 N 7.59 4.60 0.00 0.26 3.41 0.06 -4.41 113.62 125.14 1pwz n SER 180 Ca 0.26 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.35 1pwz n SER 180 Cb 0.30 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1pwz n SER 180 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pwz n GLU 181 N 0.83 0.00 0.02 4.33 1.02 -1.26 -0.31 120.64 125.28 1pwz n GLU 181 Ca 0.24 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 1pwz n GLU 181 Cb 0.88 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 32.65 1pwz n GLU 181 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pwz n ASP 182 N 8.42 0.43 -4.77 1.62 8.00 -1.26 -0.71 116.55 128.28 1pwz n ASP 182 Ca 0.00 0.12 -0.38 0.00 0.71 0.00 0.00 54.79 55.24 1pwz n ASP 182 Cb 0.00 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 40.96 1pwz n ASP 182 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1pwz s SER 183 N -3.40 7.43 0.00 -2.24 0.15 0.58 -4.95 113.70 111.28 1pwz s SER 183 Ca 0.11 1.83 0.29 0.00 0.70 0.00 0.00 55.95 58.89 1pwz s SER 183 Cb 0.17 -2.57 1.36 0.00 -1.71 0.00 0.00 66.02 63.26 1pwz s SER 183 CO 0.65 0.04 1.97 -0.81 1.20 0.00 0.00 173.24 176.29 1pwz n PRO 184 N 0.97 0.27 -3.46 5.44 -0.04 -1.26 -3.51 135.00 133.42 1pwz n PRO 184 Ca -0.00 -0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.01 1pwz n PRO 184 Cb 0.49 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 1pwz n PRO 184 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pwz s TYR 185 N -2.74 3.36 0.00 0.54 2.02 -1.26 -4.25 117.35 115.02 1pwz s TYR 185 Ca 0.23 -1.66 0.00 0.00 -0.37 0.00 0.00 57.07 55.27 1pwz s TYR 185 Cb 0.20 -3.62 0.00 0.00 -0.40 0.00 0.00 41.96 38.14 1pwz s TYR 185 CO 0.50 -1.00 0.15 1.19 -1.57 0.00 0.00 175.55 174.82 1pwz n PHE 186 N 5.03 0.00 -3.36 2.71 3.01 -1.26 -1.38 117.46 122.20 1pwz n PHE 186 Ca -0.10 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.10 1pwz n PHE 186 Cb 0.40 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.79 1pwz n PHE 186 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1pwz n TYR 187 N -0.02 1.22 -1.39 1.38 4.02 -1.25 -4.99 117.16 116.13 1pwz n TYR 187 Ca 0.00 -3.79 -0.34 0.00 -0.01 0.00 0.00 57.90 53.76 1pwz n TYR 187 Cb 0.16 -0.36 0.09 0.00 -0.02 0.00 0.00 39.34 39.21 1pwz n TYR 187 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1pwz s PRO 188 N -1.46 2.11 0.39 -0.72 0.04 -1.23 -0.76 135.00 133.37 1pwz s PRO 188 Ca 0.35 1.65 0.16 0.00 0.04 0.00 0.00 61.00 63.21 1pwz s PRO 188 Cb 0.12 -1.84 1.04 0.00 0.04 0.00 0.00 34.50 33.86 1pwz s PRO 188 CO -0.10 -1.83 1.79 1.15 0.04 0.00 0.00 177.00 178.05 1pwz h THR 189 N -0.47 0.59 -3.60 1.26 2.02 -1.22 -3.04 112.91 108.45 1pwz h THR 189 Ca -0.47 -0.16 -0.65 0.00 0.77 0.00 0.00 66.41 65.91 1pwz h THR 189 Cb 1.28 0.10 -0.22 0.00 -1.74 0.00 0.00 68.15 67.57 1pwz h THR 189 CO 0.49 0.08 -0.63 -1.61 0.37 0.00 0.00 175.52 174.23 1pwz s GLU 190 N -5.53 3.67 0.00 6.66 0.41 -1.26 -0.61 118.70 122.04 1pwz s GLU 190 Ca -0.09 -0.47 0.22 0.00 -0.41 0.00 0.00 54.97 54.22 1pwz s GLU 190 Cb 0.25 -3.29 0.39 0.00 -1.78 0.00 0.00 34.13 29.69 1pwz s GLU 190 CO 0.79 -0.14 1.36 -0.35 -0.49 0.00 0.00 175.26 176.43 1pwz n PRO 191 N 4.77 2.43 0.24 0.39 -0.04 -1.25 -4.97 135.00 136.57 1pwz n PRO 191 Ca -0.16 -2.21 0.17 0.00 -0.04 0.00 0.00 63.50 61.26 1pwz n PRO 191 Cb 0.51 -1.49 0.87 0.00 -0.04 0.00 0.00 33.50 33.35 1pwz n PRO 191 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1pwz h TRP 192 N 4.32 0.00 -0.00 0.54 4.06 -1.39 0.82 115.95 124.28 1pwz h TRP 192 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1pwz h TRP 192 Cb 0.96 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.12 1pwz h TRP 192 CO 0.22 0.00 -0.17 1.63 -3.56 0.00 0.00 178.44 176.56 1pwz n LYS 193 N -3.73 2.76 -0.04 0.49 5.02 0.22 -4.25 118.16 118.63 1pwz n LYS 193 Ca 0.00 -0.40 -0.09 0.00 -2.02 0.00 0.00 58.31 55.80 1pwz n LYS 193 Cb 0.27 -0.95 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 1pwz n LYS 193 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pwz n THR 194 N -0.47 0.49 -2.30 -0.18 -2.24 -0.97 -5.00 114.28 103.61 1pwz n THR 194 Ca 0.03 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1pwz n THR 194 Cb 0.13 -1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 66.96 1pwz n THR 194 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1pwz s ASN 195 N -5.52 6.92 0.41 3.42 3.04 0.24 -4.94 114.94 118.51 1pwz s ASN 195 Ca -0.12 2.00 0.13 0.00 0.04 0.00 0.00 52.86 54.90 1pwz s ASN 195 Cb 0.04 -2.56 0.96 0.00 -1.54 0.00 0.00 41.25 38.16 1pwz s ASN 195 CO 0.17 -0.68 1.94 -0.65 -3.04 0.00 0.00 177.10 174.83 1pwz h PRO 196 N 7.75 0.49 -0.06 0.43 0.11 -1.95 0.43 132.00 139.20 1pwz h PRO 196 Ca -0.36 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1pwz h PRO 196 Cb 1.17 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1pwz h PRO 196 CO 0.90 0.33 0.01 0.93 -0.21 0.00 0.00 178.00 179.96 1pwz h GLU 197 N 0.51 0.10 -0.33 1.05 3.07 -1.93 -1.50 114.58 115.53 1pwz h GLU 197 Ca 0.35 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 59.08 1pwz h GLU 197 Cb 0.65 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 1pwz h GLU 197 CO -0.12 0.31 -0.18 0.45 -1.40 0.00 0.00 179.01 178.08 1pwz h HIS 198 N -0.13 0.82 -0.90 4.33 3.86 -1.75 -1.91 115.15 119.48 1pwz h HIS 198 Ca 0.02 -0.21 0.06 0.00 -1.16 0.00 0.00 60.37 59.08 1pwz h HIS 198 Cb 0.26 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 1pwz h HIS 198 CO 0.01 0.92 0.58 0.28 0.86 0.00 0.00 177.93 180.59 1pwz h VAL 199 N 0.48 1.07 -0.23 2.45 2.07 -0.90 -1.85 116.25 119.35 1pwz h VAL 199 Ca 0.07 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1pwz h VAL 199 Cb 0.71 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1pwz h VAL 199 CO 0.05 0.19 -0.02 0.00 0.02 0.00 0.00 177.57 177.81 1pwz h ALA 200 N 1.51 0.31 0.28 1.67 0.00 -1.14 -2.05 119.26 119.85 1pwz h ALA 200 Ca 0.38 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pwz h ALA 200 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1pwz h ALA 200 CO -0.14 0.06 -0.38 1.25 0.00 0.00 0.00 179.25 180.04 1pwz h HIS 201 N 0.17 -1.07 -1.05 0.00 6.17 -0.65 -1.36 115.15 117.36 1pwz h HIS 201 Ca 0.06 0.01 0.28 0.00 0.71 0.00 0.00 60.37 61.43 1pwz h HIS 201 Cb 0.45 0.43 -0.11 0.00 2.52 0.00 0.00 27.41 30.70 1pwz h HIS 201 CO 0.04 -0.48 0.65 0.28 0.71 0.00 0.00 177.93 179.13 1pwz h VAL 202 N -0.69 0.48 0.00 5.26 2.07 -1.40 0.46 116.25 122.43 1pwz h VAL 202 Ca -0.03 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1pwz h VAL 202 Cb 0.62 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1pwz h VAL 202 CO -0.10 0.08 -0.33 0.50 0.02 0.00 0.00 177.57 177.74 1pwz h LYS 203 N 0.43 0.00 0.06 1.57 1.63 -0.55 -3.05 116.57 116.67 1pwz h LYS 203 Ca 0.64 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 60.24 1pwz h LYS 203 Cb 1.50 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.12 1pwz h LYS 203 CO -0.40 0.33 -1.06 -0.22 -3.45 0.00 0.00 179.45 174.65 1pwz h LYS 204 N 0.00 0.14 0.00 1.90 3.64 0.90 -3.39 116.57 119.76 1pwz h LYS 204 Ca -0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1pwz h LYS 204 Cb 0.59 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1pwz h LYS 204 CO 0.04 1.11 0.00 1.33 -2.27 0.00 0.00 179.45 179.66 1pwz n VAL 205 N -4.20 0.02 -4.70 2.00 0.24 -0.52 -4.69 118.33 106.49 1pwz n VAL 205 Ca -0.23 0.01 -0.30 0.00 -2.04 0.00 0.00 64.34 61.77 1pwz n VAL 205 Cb 0.76 -0.51 -0.14 0.00 -1.47 0.00 0.00 33.84 32.48 1pwz n VAL 205 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1pwz s THR 206 N -2.91 2.38 0.09 3.34 -4.23 -1.15 -2.18 115.64 110.99 1pwz s THR 206 Ca 0.17 -1.42 -0.18 0.00 -1.18 0.00 0.00 61.69 59.08 1pwz s THR 206 Cb 0.19 -1.99 -0.07 0.00 1.34 0.00 0.00 72.50 71.97 1pwz s THR 206 CO 0.51 0.29 1.55 0.00 -0.54 0.00 0.00 174.62 176.43 1pwz h ALA 207 N 4.47 0.36 0.00 3.99 0.00 -0.93 -2.43 119.26 124.72 1pwz h ALA 207 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1pwz h ALA 207 Cb 1.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1pwz h ALA 207 CO 0.44 0.07 0.00 1.28 0.00 0.00 0.00 179.25 181.04 1pwz n LEU 208 N -4.64 0.00 -3.86 0.00 4.77 -0.71 -4.91 117.00 107.65 1pwz n LEU 208 Ca -0.03 0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 1pwz n LEU 208 Cb 0.22 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1pwz n LEU 208 CO 0.38 -0.01 -0.18 0.00 -1.33 0.00 0.00 177.39 176.25 1pwz n GLN 209 N -1.05 -3.59 -3.62 3.23 6.02 -0.92 -4.96 117.38 112.49 1pwz n GLN 209 Ca 0.19 0.47 -0.05 0.00 -0.01 0.00 0.00 57.00 57.61 1pwz n GLN 209 Cb 0.12 -4.68 -0.02 0.00 1.02 0.00 0.00 30.24 26.68 1pwz n GLN 209 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1pwz s ARG 210 N -6.34 0.81 0.67 -1.09 1.70 -1.26 -4.58 118.95 108.86 1pwz s ARG 210 Ca 0.04 -0.39 -0.13 0.00 -0.47 0.00 0.00 55.73 54.78 1pwz s ARG 210 Cb -0.01 0.32 -0.00 0.00 -0.57 0.00 0.00 34.95 34.68 1pwz s ARG 210 CO 0.86 -0.37 1.07 -0.51 -1.08 0.00 0.00 175.30 175.28 1pwz s LEU 211 N -2.68 3.27 0.47 -1.89 1.43 -1.26 -4.92 118.68 113.11 1pwz s LEU 211 Ca 0.10 1.76 -0.15 0.00 -1.03 0.00 0.00 54.13 54.81 1pwz s LEU 211 Cb -0.00 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.62 1pwz s LEU 211 CO -0.04 -1.46 0.91 -0.83 0.23 0.00 0.00 176.35 175.16 1pwz s GLY 212 N -3.25 2.05 0.22 -3.19 0.00 0.39 -4.83 107.32 98.71 1pwz s GLY 212 Ca 0.61 0.06 0.05 0.00 0.00 0.00 0.00 44.72 45.44 1pwz s GLY 212 CO 0.47 0.31 0.33 -0.51 0.00 0.00 0.00 173.10 173.70 1pwz s THR 213 N -2.51 5.20 0.28 0.90 -4.23 -1.26 -0.68 115.64 113.34 1pwz s THR 213 Ca 0.56 -0.96 0.26 0.00 -1.18 0.00 0.00 61.69 60.37 1pwz s THR 213 Cb -0.10 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.21 1pwz s THR 213 CO 0.30 -0.28 1.95 1.56 -0.54 0.00 0.00 174.62 177.61 1pwz h GLN 214 N 1.40 0.00 -0.05 3.99 1.08 -1.97 -2.61 115.11 116.95 1pwz h GLN 214 Ca -0.51 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.55 1pwz h GLN 214 Cb 1.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 1pwz h GLN 214 CO 0.62 0.17 -0.61 0.87 -0.95 0.00 0.00 178.83 178.94 1pwz h LYS 215 N 0.00 0.17 -0.11 1.46 1.79 -1.94 -1.25 116.57 116.68 1pwz h LYS 215 Ca -0.00 -0.11 -0.09 0.00 -2.18 0.00 0.00 60.65 58.26 1pwz h LYS 215 Cb 0.54 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1pwz h LYS 215 CO 0.02 0.72 -0.29 0.93 -1.08 0.00 0.00 179.45 179.75 1pwz h GLU 216 N 0.12 0.39 -0.75 3.15 5.08 -1.87 -0.60 114.58 120.10 1pwz h GLU 216 Ca -0.01 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1pwz h GLU 216 Cb 1.10 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1pwz h GLU 216 CO 0.09 0.89 0.36 1.25 -1.00 0.00 0.00 179.01 180.60 1pwz h LEU 217 N -0.04 0.96 -0.54 1.33 7.12 -1.52 -1.86 115.31 120.75 1pwz h LEU 217 Ca -0.01 -0.11 -0.11 0.00 0.13 0.00 0.00 57.88 57.79 1pwz h LEU 217 Cb 0.90 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.77 1pwz h LEU 217 CO 0.06 0.81 -0.10 1.23 -0.13 0.00 0.00 178.44 180.32 1pwz h GLY 218 N 1.10 1.11 0.97 3.75 0.00 -1.14 -1.62 103.07 107.25 1pwz h GLY 218 Ca 0.26 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1pwz h GLY 218 CO -0.03 0.82 0.19 0.83 0.00 0.00 0.00 176.54 178.34 1pwz h GLU 219 N 0.90 0.44 -0.72 4.80 4.39 -0.75 -0.74 114.58 122.91 1pwz h GLU 219 Ca 0.14 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1pwz h GLU 219 Cb 0.66 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 1pwz h GLU 219 CO 0.05 0.35 0.37 1.25 -1.16 0.00 0.00 179.01 179.87 1pwz h LEU 220 N 0.41 0.92 -0.42 1.33 5.85 -1.21 0.85 115.31 123.04 1pwz h LEU 220 Ca 0.11 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1pwz h LEU 220 Cb 0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1pwz h LEU 220 CO -0.02 0.77 0.10 0.58 -0.34 0.00 0.00 178.44 179.54 1pwz h VAL 221 N 1.00 1.23 -0.66 1.05 2.07 -1.07 -0.99 116.25 118.87 1pwz h VAL 221 Ca 0.25 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 1pwz h VAL 221 Cb 0.08 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1pwz h VAL 221 CO -0.04 0.28 0.10 0.00 0.02 0.00 0.00 177.57 177.93 1pwz h ALA 222 N 0.96 0.88 -0.12 1.67 0.00 -0.85 -1.97 119.26 119.84 1pwz h ALA 222 Ca 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1pwz h ALA 222 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1pwz h ALA 222 CO 0.00 0.66 0.05 0.35 0.00 0.00 0.00 179.25 180.31 1pwz h PHE 223 N 1.03 0.19 -0.61 0.00 3.57 -0.64 -1.94 116.94 118.53 1pwz h PHE 223 Ca 0.20 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1pwz h PHE 223 Cb 0.46 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1pwz h PHE 223 CO 0.03 0.28 0.28 -0.07 -2.23 0.00 0.00 178.31 176.60 1pwz h LEU 224 N 0.04 0.79 -0.67 0.59 3.38 -1.09 -2.65 115.31 115.70 1pwz h LEU 224 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pwz h LEU 224 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1pwz h LEU 224 CO -0.00 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.21 1pwz n ALA 225 N -2.45 2.61 0.12 1.53 0.00 -0.75 -3.96 120.51 117.61 1pwz n ALA 225 Ca 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 53.44 53.13 1pwz n ALA 225 Cb 0.14 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1pwz n ALA 225 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pwz h SER 226 N 1.63 0.00 0.00 0.00 4.64 -0.97 -3.48 113.55 115.38 1pwz h SER 226 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pwz h SER 226 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1pwz h SER 226 CO 0.00 0.57 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 1pwz n GLY 227 N 1.26 0.68 0.19 -0.77 0.00 -1.25 -4.95 105.19 100.36 1pwz n GLY 227 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1pwz n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pwz h SER 228 N 0.00 0.00 -1.34 1.61 0.02 -1.87 -3.37 113.55 108.61 1pwz h SER 228 Ca 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 1pwz h SER 228 Cb 0.00 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.22 1pwz h SER 228 CO 0.00 0.34 -0.96 0.00 -1.14 0.00 0.00 176.83 175.07 1pwz h ASP 230 N 2.98 0.00 0.16 0.00 3.32 -1.89 -2.85 116.42 118.15 1pwz h ASP 230 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pwz h ASP 230 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1pwz h ASP 230 CO 0.38 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.90 1pwz n TYR 231 N -2.80 0.00 1.20 4.55 4.19 -1.26 -1.55 117.16 121.49 1pwz n TYR 231 Ca -0.00 0.00 0.14 0.00 3.31 0.00 0.00 57.90 61.35 1pwz n TYR 231 Cb 0.20 -0.45 0.63 0.00 0.49 0.00 0.00 39.34 40.21 1pwz n TYR 231 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1pwz n LEU 232 N -1.45 0.12 -3.03 2.98 4.77 -1.08 -4.96 117.00 114.35 1pwz n LEU 232 Ca 0.02 0.30 -0.38 0.00 -0.03 0.00 0.00 56.01 55.92 1pwz n LEU 232 Cb 0.06 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 1pwz n LEU 232 CO 0.05 0.03 0.28 1.07 -1.33 0.00 0.00 177.39 177.48 1pwz n THR 233 N -1.35 0.38 0.00 -5.08 5.66 -0.60 -1.61 114.28 111.68 1pwz n THR 233 Ca 0.10 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1pwz n THR 233 Cb 0.30 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1pwz n THR 233 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pwz n GLY 234 N 1.11 1.72 3.76 1.09 0.00 0.08 -4.93 105.19 108.03 1pwz n GLY 234 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1pwz n GLY 234 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pwz s GLN 235 N -0.80 3.55 -0.23 1.61 2.00 -0.63 -4.52 119.66 120.64 1pwz s GLN 235 Ca 0.00 2.22 -0.02 0.00 -2.00 0.00 0.00 55.36 55.56 1pwz s GLN 235 Cb 0.00 -2.50 0.02 0.00 0.80 0.00 0.00 33.01 31.33 1pwz s GLN 235 CO 0.00 -0.86 -0.08 0.08 -0.50 0.00 0.00 175.29 173.93 1pwz s VAL 236 N -1.29 2.83 -0.22 1.34 1.01 -1.26 -2.11 120.40 120.70 1pwz s VAL 236 Ca 0.64 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 1pwz s VAL 236 Cb -0.39 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1pwz s VAL 236 CO 0.49 0.30 0.33 -0.36 0.00 0.00 0.00 175.10 175.86 1pwz s PHE 237 N 1.35 3.34 -0.67 5.22 0.08 0.18 -4.95 117.98 122.53 1pwz s PHE 237 Ca 0.02 0.48 -0.18 0.00 0.12 0.00 0.00 56.93 57.37 1pwz s PHE 237 Cb -0.16 -2.46 0.12 0.00 -0.57 0.00 0.00 43.02 39.96 1pwz s PHE 237 CO -0.06 -0.01 0.78 -1.58 -0.10 0.00 0.00 175.22 174.25 1pwz s TRP 238 N 1.32 3.10 -1.10 0.36 0.52 -1.26 0.97 118.94 122.86 1pwz s TRP 238 Ca 0.15 -1.15 -0.13 0.00 0.02 0.00 0.00 56.10 55.00 1pwz s TRP 238 Cb -0.14 -4.04 0.21 0.00 -1.15 0.00 0.00 33.47 28.35 1pwz s TRP 238 CO 0.07 -1.29 1.20 -1.17 0.02 0.00 0.00 176.95 175.78 1pwz s LEU 239 N 2.40 5.73 0.00 2.99 0.20 0.03 -4.68 118.68 125.35 1pwz s LEU 239 Ca 0.15 -3.08 0.17 0.00 0.69 0.00 0.00 54.13 52.06 1pwz s LEU 239 Cb -0.20 -2.31 0.28 0.00 -0.43 0.00 0.00 46.19 43.53 1pwz s LEU 239 CO 0.02 -0.59 1.09 0.00 -0.29 0.00 0.00 176.35 176.58 1pwz n ALA 240 N 4.45 2.63 -4.02 5.97 0.00 -1.26 -1.05 120.51 127.23 1pwz n ALA 240 Ca 0.28 -1.76 -0.33 0.00 0.00 0.00 0.00 53.44 51.63 1pwz n ALA 240 Cb 0.43 -0.60 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 1pwz n ALA 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pwz n GLY 241 N 0.32 -0.44 0.37 0.00 0.00 -1.26 -0.73 105.19 103.45 1pwz n GLY 241 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1pwz n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwz n GLY 242 N -1.10 1.31 3.65 -0.02 0.00 -1.26 -0.41 105.19 107.37 1pwz n GLY 242 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1pwz n GLY 242 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pwz n PHE 243 N -2.00 1.70 -3.69 1.61 -0.00 0.09 -4.12 117.46 111.06 1pwz n PHE 243 Ca 0.00 0.56 -0.37 0.00 -0.00 0.00 0.00 57.45 57.64 1pwz n PHE 243 Cb 0.00 -2.31 -0.07 0.00 -0.00 0.00 0.00 39.48 37.10 1pwz n PHE 243 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1pwz s PRO 244 N -1.99 3.91 -0.18 -7.13 0.04 -1.26 -4.91 135.00 123.48 1pwz s PRO 244 Ca 0.60 0.01 -0.27 0.00 0.04 0.00 0.00 61.00 61.38 1pwz s PRO 244 Cb -0.56 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 30.66 1pwz s PRO 244 CO 0.59 0.51 0.92 -1.64 0.04 0.00 0.00 177.00 177.42 1pwz s MET 245 N -0.33 4.31 0.03 4.56 -1.94 -0.93 -5.01 119.30 119.99 1pwz s MET 245 Ca 0.16 1.18 -0.26 0.00 -1.71 0.00 0.00 55.69 55.05 1pwz s MET 245 Cb -0.13 -3.59 -0.05 0.00 2.01 0.00 0.00 34.83 33.07 1pwz s MET 245 CO 0.04 -0.42 0.82 0.42 -0.01 0.00 0.00 175.02 175.88 1pwz s ILE 246 N 2.43 4.76 0.16 2.53 -1.09 -1.26 -4.85 121.20 123.89 1pwz s ILE 246 Ca 0.42 1.74 -0.32 0.00 -2.23 0.00 0.00 60.65 60.26 1pwz s ILE 246 Cb -0.16 -4.17 -0.10 0.00 -1.58 0.00 0.00 42.46 36.44 1pwz s ILE 246 CO 0.12 0.31 1.61 -0.70 -1.23 0.00 0.00 174.94 175.04 1pwz s GLU 247 N 0.24 4.20 0.64 2.79 2.12 -1.26 -5.00 118.70 122.43 1pwz s GLU 247 Ca 0.42 2.40 -0.02 0.00 0.36 0.00 0.00 54.97 58.12 1pwz s GLU 247 Cb -0.21 -3.19 0.06 0.00 0.26 0.00 0.00 34.13 31.05 1pwz s GLU 247 CO 0.24 -0.65 0.91 1.03 -0.54 0.00 0.00 175.26 176.25 1pwz s ARG 248 N 1.32 2.26 0.61 4.30 0.52 -1.26 -5.06 118.95 121.64 1pwz s ARG 248 Ca 0.71 -0.60 -0.18 0.00 -0.52 0.00 0.00 55.73 55.14 1pwz s ARG 248 Cb -0.44 -2.33 -0.05 0.00 0.52 0.00 0.00 34.95 32.65 1pwz s ARG 248 CO 0.32 -1.05 0.94 0.91 0.02 0.00 0.00 175.30 176.44 1pwz n TRP 249 N -2.66 0.73 -1.65 -0.53 8.01 -1.26 -4.88 117.44 115.19 1pwz n TRP 249 Ca 0.09 0.43 -0.40 0.00 -1.31 0.00 0.00 57.50 56.31 1pwz n TRP 249 Cb 0.60 -2.12 0.02 0.00 -2.01 0.00 0.00 31.31 27.80 1pwz n TRP 249 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 1pwz n PRO 250 N -1.02 1.51 -0.18 -0.99 -0.02 -1.26 -2.01 135.00 131.04 1pwz n PRO 250 Ca 0.14 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1pwz n PRO 250 Cb 0.48 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1pwz n PRO 250 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pwz n GLY 251 N 1.04 1.11 3.76 -1.23 0.00 -1.26 -5.05 105.19 103.57 1pwz n GLY 251 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1pwz n GLY 251 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pwz s MET 252 N -0.54 3.04 0.00 1.61 -1.94 -0.85 -5.25 119.30 115.37 1pwz s MET 252 Ca 0.00 -0.47 0.20 0.00 -1.71 0.00 0.00 55.69 53.71 1pwz s MET 252 Cb 0.00 -2.84 1.19 0.00 2.01 0.00 0.00 34.83 35.19 1pwz s MET 252 CO 0.00 0.66 1.58 -0.35 -0.01 0.00 0.00 175.02 176.90