#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 4.35 0.12 6.66 2.01 -1.26 0.99 115.64 128.51 1pwz s THR 3 Ca 0.00 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 61.85 1pwz s THR 3 Cb 0.00 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1pwz s THR 3 CO 0.00 0.47 -0.11 0.00 -0.69 0.00 0.00 174.62 174.29 1pwz s ALA 4 N 0.46 1.30 -0.04 7.40 0.00 0.48 0.04 121.76 131.40 1pwz s ALA 4 Ca 0.00 -1.33 0.07 0.00 0.00 0.00 0.00 51.96 50.70 1pwz s ALA 4 Cb -0.13 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1pwz s ALA 4 CO 0.02 -0.05 -0.25 0.42 0.00 0.00 0.00 175.76 175.90 1pwz s ILE 5 N -2.78 1.99 -0.13 0.00 1.01 -0.14 -0.75 121.20 120.39 1pwz s ILE 5 Ca 0.11 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 1pwz s ILE 5 Cb -0.01 -1.67 0.04 0.00 0.01 0.00 0.00 42.46 40.83 1pwz s ILE 5 CO 0.00 0.56 -0.01 -0.69 0.00 0.00 0.00 174.94 174.80 1pwz s VAL 6 N -0.33 0.67 0.43 2.92 1.01 -0.89 -1.35 120.40 122.86 1pwz s VAL 6 Ca 0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1pwz s VAL 6 Cb -0.12 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 1pwz s VAL 6 CO 0.02 0.11 0.79 0.42 0.00 0.00 0.00 175.10 176.44 1pwz s THR 7 N 1.83 4.80 -1.23 3.92 -4.23 -1.16 -1.67 115.64 117.90 1pwz s THR 7 Ca 0.02 0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 1pwz s THR 7 Cb -0.14 -3.77 0.08 0.00 1.34 0.00 0.00 72.50 70.01 1pwz s THR 7 CO -0.07 -0.62 0.45 0.59 -0.54 0.00 0.00 174.62 174.42 1pwz n ASN 8 N -1.58 -3.36 -0.20 3.99 3.02 0.05 -4.23 115.26 112.95 1pwz n ASN 8 Ca 0.02 -0.38 0.29 0.00 -0.03 0.00 0.00 54.58 54.48 1pwz n ASN 8 Cb 0.54 -2.81 0.54 0.00 -0.61 0.00 0.00 39.78 37.44 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 -0.86 0.08 0.00 2.41 3.04 -1.42 0.24 116.25 119.74 1pwz h VAL 9 Ca -0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1pwz h VAL 9 Cb 1.27 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1pwz h VAL 9 CO 0.52 0.00 -0.07 0.29 -1.01 0.00 0.00 177.57 177.30 1pwz n LYS 10 N -3.41 0.24 -4.39 4.17 5.02 -1.26 -1.66 118.16 116.87 1pwz n LYS 10 Ca 0.22 0.18 -0.20 0.00 -2.02 0.00 0.00 58.31 56.49 1pwz n LYS 10 Cb 1.39 -1.76 -0.10 0.00 -0.02 0.00 0.00 35.03 34.53 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 -3.10 1.79 0.00 2.13 3.76 0.85 -4.59 115.29 116.14 1pwz s HIS 11 Ca 0.10 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.25 1pwz s HIS 11 Cb 0.13 -1.02 0.00 0.00 1.11 0.00 0.00 32.58 32.80 1pwz s HIS 11 CO 0.61 0.18 0.00 0.34 -0.85 0.00 0.00 174.74 175.01 1pwz n PHE 12 N -0.51 0.00 -0.85 1.40 7.35 -0.30 -1.80 117.46 122.76 1pwz n PHE 12 Ca -0.06 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.71 1pwz n PHE 12 Cb 0.63 0.00 0.34 0.00 0.35 0.00 0.00 39.48 40.81 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 3.26 0.15 7.13 0.00 -1.26 -4.69 105.19 109.78 1pwz n GLY 13 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 3.28 -0.30 0.99 -0.02 0.00 -1.52 -2.80 103.07 102.70 1pwz h GLY 14 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1pwz h GLY 14 CO 0.34 -0.11 0.26 -0.33 0.00 0.00 0.00 176.54 176.70 1pwz h MET 15 N -0.52 0.89 -0.56 4.80 2.86 -1.58 0.22 114.93 121.05 1pwz h MET 15 Ca -0.03 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 1pwz h MET 15 Cb 0.39 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1pwz h MET 15 CO 0.05 0.74 0.11 0.78 1.06 0.00 0.00 176.91 179.65 1pwz h GLY 16 N 0.83 0.94 0.54 8.32 0.00 -1.80 -1.67 103.07 110.23 1pwz h GLY 16 Ca 0.20 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1pwz h GLY 16 CO -0.02 0.53 -0.22 1.76 0.00 0.00 0.00 176.54 178.59 1pwz h SER 17 N 0.83 -0.52 0.22 0.19 0.02 -1.18 -2.16 113.55 110.97 1pwz h SER 17 Ca 0.18 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1pwz h SER 17 Cb 0.34 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1pwz h SER 17 CO 0.00 -0.10 -0.38 0.00 -1.14 0.00 0.00 176.83 175.22 1pwz h ALA 18 N -0.91 -0.72 0.09 3.77 0.00 -0.60 -0.62 119.26 120.27 1pwz h ALA 18 Ca -0.06 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1pwz h ALA 18 Cb 0.54 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1pwz h ALA 18 CO 0.10 -0.96 -0.28 -0.07 0.00 0.00 0.00 179.25 178.05 1pwz h LEU 19 N -0.67 -0.80 -1.24 0.00 4.07 -1.43 0.14 115.31 115.37 1pwz h LEU 19 Ca 0.00 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 1pwz h LEU 19 Cb 0.66 0.31 -0.03 0.00 1.08 0.00 0.00 40.66 42.68 1pwz h LEU 19 CO -0.16 -0.36 0.41 -0.09 -1.08 0.00 0.00 178.44 177.16 1pwz h ARG 20 N -0.48 0.93 -0.64 1.13 9.65 -1.30 0.30 114.38 123.96 1pwz h ARG 20 Ca 0.04 -0.08 -0.07 0.00 -1.10 0.00 0.00 59.98 58.76 1pwz h ARG 20 Cb 0.52 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 1pwz h ARG 20 CO -0.18 0.65 0.11 1.25 2.80 0.00 0.00 179.97 184.61 1pwz h LEU 21 N 0.94 1.00 -0.03 3.80 5.85 -0.74 -0.93 115.31 125.20 1pwz h LEU 21 Ca 0.25 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1pwz h LEU 21 Cb -0.03 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 1pwz h LEU 21 CO -0.05 0.99 0.01 -1.28 -0.34 0.00 0.00 178.44 177.77 1pwz h SER 22 N 0.98 0.05 -0.96 1.25 0.87 0.70 -2.30 113.55 114.15 1pwz h SER 22 Ca 0.20 -0.22 0.14 0.00 -1.23 0.00 0.00 61.79 60.68 1pwz h SER 22 Cb 0.42 -0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 62.27 1pwz h SER 22 CO 0.01 0.25 0.57 -0.33 -0.53 0.00 0.00 176.83 176.80 1pwz h GLU 23 N -0.16 0.83 -0.37 2.24 3.07 -0.21 0.30 114.58 120.28 1pwz h GLU 23 Ca 0.01 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1pwz h GLU 23 Cb 0.22 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1pwz h GLU 23 CO -0.00 0.55 0.00 0.00 -1.40 0.00 0.00 179.01 178.16 1pwz n ALA 24 N -2.36 1.98 -2.98 3.43 0.00 -0.38 -4.81 120.51 115.39 1pwz n ALA 24 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 1pwz n ALA 24 Cb 0.41 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.90 1pwz n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pwz n GLY 25 N 0.16 -0.08 3.75 0.00 0.00 0.10 -4.92 105.19 104.20 1pwz n GLY 25 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.08 3.08 -0.27 1.61 4.02 -0.90 -3.96 115.29 115.79 1pwz s HIS 26 Ca 0.29 -0.01 -0.22 0.00 1.02 0.00 0.00 55.06 56.14 1pwz s HIS 26 Cb -0.13 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.58 29.90 1pwz s HIS 26 CO 0.36 0.51 0.73 0.99 1.02 0.00 0.00 174.74 178.35 1pwz s THR 27 N -1.55 4.89 -0.43 1.30 2.01 0.28 -4.42 115.64 117.71 1pwz s THR 27 Ca 0.29 1.25 -0.04 0.00 0.31 0.00 0.00 61.69 63.50 1pwz s THR 27 Cb -0.11 -4.05 0.11 0.00 0.01 0.00 0.00 72.50 68.47 1pwz s THR 27 CO 0.21 -0.09 0.24 -0.69 -0.69 0.00 0.00 174.62 173.60 1pwz s VAL 28 N 2.73 3.42 0.03 3.82 1.01 -1.26 -0.39 120.40 129.76 1pwz s VAL 28 Ca 0.30 -2.09 -0.30 0.00 0.00 0.00 0.00 61.98 59.89 1pwz s VAL 28 Cb -0.15 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1pwz s VAL 28 CO 0.09 -0.71 1.10 0.00 0.00 0.00 0.00 175.10 175.58 1pwz s ALA 29 N 1.08 3.29 -0.08 5.51 0.00 0.07 -0.38 121.76 131.25 1pwz s ALA 29 Ca 0.09 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1pwz s ALA 29 Cb -0.23 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1pwz s ALA 29 CO -0.04 -0.35 -0.17 0.00 0.00 0.00 0.00 175.76 175.20 1pwz s HIS 31 N -0.18 2.79 -0.19 0.00 5.65 -0.67 0.74 115.29 123.43 1pwz s HIS 31 Ca -0.01 -0.15 -0.32 0.00 0.25 0.00 0.00 55.06 54.83 1pwz s HIS 31 Cb -0.13 -1.39 0.15 0.00 -1.18 0.00 0.00 32.58 30.02 1pwz s HIS 31 CO 0.03 0.49 1.18 0.34 -0.65 0.00 0.00 174.74 176.13 1pwz s ASP 32 N -2.67 -0.18 0.09 9.88 -1.08 -1.26 -0.77 116.67 120.68 1pwz s ASP 32 Ca 0.25 0.09 -0.22 0.00 -0.52 0.00 0.00 52.55 52.15 1pwz s ASP 32 Cb -0.10 0.17 -0.14 0.00 -1.46 0.00 0.00 42.92 41.39 1pwz s ASP 32 CO 0.17 -0.24 1.72 1.05 0.52 0.00 0.00 175.17 178.39 1pwz h GLU 33 N 2.13 0.06 0.00 4.34 -0.00 -1.96 -2.59 114.58 116.56 1pwz h GLU 33 Ca -0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.24 1pwz h GLU 33 Cb 1.18 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 1pwz h GLU 33 CO 0.25 0.07 0.14 -1.13 -0.00 0.00 0.00 179.01 178.33 1pwz n SER 34 N -5.04 0.28 -0.53 3.06 3.41 -1.26 -1.71 113.62 111.82 1pwz n SER 34 Ca -0.06 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1pwz n SER 34 Cb 0.04 -0.56 0.01 0.00 -0.26 0.00 0.00 64.21 63.44 1pwz n SER 34 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1pwz n PHE 35 N -1.87 0.07 0.03 7.33 0.99 -0.97 -2.66 117.46 120.38 1pwz n PHE 35 Ca -0.01 -0.02 -0.21 0.00 -0.00 0.00 0.00 57.45 57.21 1pwz n PHE 35 Cb 0.15 -0.11 -0.14 0.00 -1.00 0.00 0.00 39.48 38.38 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 0.13 0.29 -5.77 -1.08 1.79 -1.55 -3.35 116.57 107.02 1pwz h LYS 36 Ca 0.00 -0.50 -0.58 0.00 -2.18 0.00 0.00 60.65 57.39 1pwz h LYS 36 Cb 0.54 0.18 -0.08 0.00 -1.58 0.00 0.00 32.23 31.29 1pwz h LYS 36 CO 0.02 1.20 0.11 -0.65 -1.08 0.00 0.00 179.45 179.05 1pwz s GLN 37 N -2.57 4.28 0.52 3.15 1.11 -1.09 -4.95 119.66 120.11 1pwz s GLN 37 Ca -0.18 0.69 0.27 0.00 0.01 0.00 0.00 55.36 56.15 1pwz s GLN 37 Cb 0.06 -3.54 1.39 0.00 -1.01 0.00 0.00 33.01 29.91 1pwz s GLN 37 CO 0.81 -0.15 1.94 1.57 0.01 0.00 0.00 175.29 179.47 1pwz h LYS 38 N 7.24 0.05 -0.34 2.91 -0.00 -1.87 -1.46 116.57 123.11 1pwz h LYS 38 Ca -0.34 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.28 1pwz h LYS 38 Cb 1.16 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.36 1pwz h LYS 38 CO 0.77 0.04 0.11 0.38 -0.00 0.00 0.00 179.45 180.75 1pwz h ASP 39 N 0.06 0.49 -0.09 7.07 2.03 -1.92 -1.80 116.42 122.25 1pwz h ASP 39 Ca 0.34 -0.20 -0.03 0.00 -0.73 0.00 0.00 57.03 56.42 1pwz h ASP 39 Cb 1.29 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1pwz h ASP 39 CO -0.02 0.56 -0.04 -0.33 -1.03 0.00 0.00 179.24 178.37 1pwz h GLU 40 N 0.40 0.19 0.55 4.15 4.39 -1.51 -0.96 114.58 121.79 1pwz h GLU 40 Ca 0.11 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1pwz h GLU 40 Cb 0.24 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1pwz h GLU 40 CO -0.00 0.55 -0.42 1.25 -1.16 0.00 0.00 179.01 179.22 1pwz h LEU 41 N -0.17 -1.11 -0.91 1.33 6.46 -1.46 -0.44 115.31 119.01 1pwz h LEU 41 Ca 0.02 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1pwz h LEU 41 Cb 0.49 0.35 -0.07 0.00 -0.73 0.00 0.00 40.66 40.70 1pwz h LEU 41 CO 0.01 -0.61 0.57 -0.33 -0.62 0.00 0.00 178.44 177.46 1pwz h GLU 42 N -0.95 1.00 -0.97 1.25 5.08 -1.39 0.25 114.58 118.85 1pwz h GLU 42 Ca -0.06 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1pwz h GLU 42 Cb 0.80 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1pwz h GLU 42 CO 0.01 0.66 0.63 0.00 -1.00 0.00 0.00 179.01 179.31 1pwz h ALA 43 N 1.43 1.41 0.09 3.43 0.00 -0.91 0.56 119.26 125.28 1pwz h ALA 43 Ca 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1pwz h ALA 43 Cb 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pwz h ALA 43 CO -0.19 0.47 -0.04 0.35 0.00 0.00 0.00 179.25 179.84 1pwz h PHE 44 N 1.17 -0.11 0.00 0.00 3.57 0.98 -1.75 116.94 120.80 1pwz h PHE 44 Ca 0.41 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.90 1pwz h PHE 44 Cb 0.11 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1pwz h PHE 44 CO -0.00 0.29 -0.02 0.00 -2.23 0.00 0.00 178.31 176.35 1pwz h ALA 45 N 0.30 1.59 0.22 2.41 0.00 -0.31 0.98 119.26 124.46 1pwz h ALA 45 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pwz h ALA 45 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pwz h ALA 45 CO 0.02 0.02 -0.11 1.05 0.00 0.00 0.00 179.25 180.24 1pwz h GLU 46 N 0.00 -0.28 -1.00 0.00 -0.00 -0.75 -3.19 114.58 109.36 1pwz h GLU 46 Ca -0.00 0.02 0.02 0.00 -0.00 0.00 0.00 59.36 59.40 1pwz h GLU 46 Cb 0.04 0.06 -0.05 0.00 -0.00 0.00 0.00 28.75 28.80 1pwz h GLU 46 CO 0.00 0.07 0.66 1.15 -0.00 0.00 0.00 179.01 180.89 1pwz h THR 47 N -0.94 1.21 -3.09 -1.06 2.02 -0.85 -3.33 112.91 106.87 1pwz h THR 47 Ca -0.03 -0.45 -0.62 0.00 0.77 0.00 0.00 66.41 66.08 1pwz h THR 47 Cb 0.48 -0.21 -0.42 0.00 -1.74 0.00 0.00 68.15 66.26 1pwz h THR 47 CO 0.05 0.24 -0.58 -0.31 0.37 0.00 0.00 175.52 175.29 1pwz s TYR 48 N -6.09 3.51 0.03 3.16 1.51 0.30 -4.93 117.35 114.85 1pwz s TYR 48 Ca -0.13 -3.32 0.29 0.00 -1.01 0.00 0.00 57.07 52.90 1pwz s TYR 48 Cb 0.19 -2.69 1.52 0.00 -0.11 0.00 0.00 41.96 40.87 1pwz s TYR 48 CO 0.82 -0.56 1.87 -1.00 -1.11 0.00 0.00 175.55 175.57 1pwz h PRO 49 N 5.46 0.00 0.00 -1.71 0.13 -1.67 -1.84 132.00 132.37 1pwz h PRO 49 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1pwz h PRO 49 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1pwz h PRO 49 CO 0.71 0.00 -0.52 -0.56 -0.23 0.00 0.00 178.00 177.40 1pwz h GLN 50 N 0.00 0.00 -5.80 0.86 -0.00 -1.91 -3.45 115.11 104.81 1pwz h GLN 50 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 58.65 57.99 1pwz h GLN 50 Cb 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 27.45 1pwz h GLN 50 CO 0.00 0.00 -0.51 -0.51 -0.00 0.00 0.00 178.83 177.81 1pwz s LEU 51 N -5.31 4.24 -0.62 0.06 1.43 -0.69 -4.48 118.68 113.31 1pwz s LEU 51 Ca 0.04 0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 53.39 1pwz s LEU 51 Cb 0.09 -2.31 0.16 0.00 0.03 0.00 0.00 46.19 44.16 1pwz s LEU 51 CO 0.72 0.32 0.50 -0.54 0.23 0.00 0.00 176.35 177.58 1pwz s LYS 52 N -1.52 2.84 0.27 1.70 -0.14 0.49 -4.84 119.74 118.55 1pwz s LYS 52 Ca 0.21 -2.17 -0.29 0.00 -1.36 0.00 0.00 55.97 52.36 1pwz s LYS 52 Cb -0.12 -4.03 -0.09 0.00 -1.68 0.00 0.00 37.83 31.90 1pwz s LYS 52 CO 0.12 -1.22 1.11 -1.25 -0.76 0.00 0.00 175.35 173.34 1pwz s PRO 53 N 0.64 4.63 0.19 -1.68 0.04 -1.26 0.12 135.00 137.68 1pwz s PRO 53 Ca 0.12 1.81 0.09 0.00 0.04 0.00 0.00 61.00 63.05 1pwz s PRO 53 Cb -0.20 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1pwz s PRO 53 CO -0.04 0.19 -0.06 -1.64 0.04 0.00 0.00 177.00 175.49 1pwz s MET 54 N -1.36 2.17 -0.10 4.56 -1.94 0.23 -4.80 119.30 118.07 1pwz s MET 54 Ca 0.45 -1.25 0.13 0.00 -1.71 0.00 0.00 55.69 53.32 1pwz s MET 54 Cb -0.32 -2.21 -0.24 0.00 2.01 0.00 0.00 34.83 34.08 1pwz s MET 54 CO 0.41 0.43 0.44 -1.13 -0.01 0.00 0.00 175.02 175.16 1pwz n SER 55 N -0.11 0.66 -4.45 3.03 3.41 -1.26 -4.56 113.62 110.35 1pwz n SER 55 Ca -0.10 0.26 -0.46 0.00 -0.26 0.00 0.00 58.87 58.31 1pwz n SER 55 Cb 0.56 0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.73 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 -2.97 0.40 -0.05 4.33 4.71 -1.26 -4.48 120.64 121.32 1pwz n GLU 56 Ca -0.23 0.14 -0.08 0.00 -0.01 0.00 0.00 57.16 56.98 1pwz n GLU 56 Cb 1.09 -1.26 -0.04 0.00 -1.01 0.00 0.00 31.44 30.21 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 0.92 0.22 -2.32 3.49 1.13 -1.26 -4.74 117.38 114.81 1pwz n GLN 57 Ca 0.15 0.07 -0.33 0.00 -1.94 0.00 0.00 57.00 54.94 1pwz n GLN 57 Cb 0.29 -1.04 -0.01 0.00 0.11 0.00 0.00 30.24 29.59 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 -2.18 3.59 0.06 -1.09 0.41 -1.26 -4.91 118.70 113.33 1pwz s GLU 58 Ca -0.13 1.29 -0.20 0.00 -0.41 0.00 0.00 54.97 55.52 1pwz s GLU 58 Cb 0.04 -2.07 -0.08 0.00 -1.78 0.00 0.00 34.13 30.24 1pwz s GLU 58 CO 0.19 -0.59 1.32 -1.35 -0.49 0.00 0.00 175.26 174.34 1pwz h PRO 59 N 1.06 -0.42 -0.25 0.39 0.11 -1.94 -1.21 132.00 129.74 1pwz h PRO 59 Ca -0.48 0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1pwz h PRO 59 Cb 1.22 0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 1pwz h PRO 59 CO 0.58 -0.28 0.02 0.00 -0.21 0.00 0.00 178.00 178.12 1pwz h ALA 60 N -0.97 0.23 -0.48 -0.75 0.00 -1.94 -1.43 119.26 113.92 1pwz h ALA 60 Ca -0.00 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1pwz h ALA 60 Cb 0.44 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1pwz h ALA 60 CO -0.17 -0.40 0.00 1.05 0.00 0.00 0.00 179.25 179.74 1pwz h GLU 61 N 0.11 0.12 0.67 0.00 4.11 -1.94 -2.23 114.58 115.41 1pwz h GLU 61 Ca 0.12 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.51 1pwz h GLU 61 Cb 0.13 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1pwz h GLU 61 CO -0.18 0.08 -0.45 1.25 0.07 0.00 0.00 179.01 179.78 1pwz h LEU 62 N 0.12 -1.14 -0.83 3.06 5.85 -0.70 -0.56 115.31 121.10 1pwz h LEU 62 Ca 0.24 0.07 0.20 0.00 0.84 0.00 0.00 57.88 59.23 1pwz h LEU 62 Cb 0.36 0.34 -0.15 0.00 0.37 0.00 0.00 40.66 41.58 1pwz h LEU 62 CO -0.40 -0.67 0.05 0.40 -0.34 0.00 0.00 178.44 177.48 1pwz h ILE 63 N -1.06 0.26 -0.30 4.05 1.08 -1.08 0.21 117.51 120.68 1pwz h ILE 63 Ca -0.09 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.32 1pwz h ILE 63 Cb 0.86 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1pwz h ILE 63 CO 0.07 0.02 0.07 -0.33 -0.69 0.00 0.00 178.15 177.29 1pwz h GLU 64 N 0.10 0.48 -0.34 2.37 3.07 -1.21 -0.26 114.58 118.80 1pwz h GLU 64 Ca 0.48 -0.11 0.07 0.00 -0.50 0.00 0.00 59.36 59.30 1pwz h GLU 64 Cb 0.90 -0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.67 1pwz h GLU 64 CO -0.72 0.55 -0.15 0.00 -1.40 0.00 0.00 179.01 177.29 1pwz h ALA 65 N 0.91 0.12 -0.43 3.43 0.00 0.67 -0.92 119.26 123.04 1pwz h ALA 65 Ca 0.09 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1pwz h ALA 65 Cb 0.29 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1pwz h ALA 65 CO 0.00 -0.53 -0.01 0.28 0.00 0.00 0.00 179.25 178.99 1pwz h VAL 66 N -0.09 1.26 -0.63 0.00 2.07 -1.17 0.15 116.25 117.85 1pwz h VAL 66 Ca 0.17 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.70 1pwz h VAL 66 Cb 0.35 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1pwz h VAL 66 CO -0.40 0.36 0.34 0.74 0.02 0.00 0.00 177.57 178.63 1pwz h THR 67 N 0.60 0.96 0.52 2.57 2.02 -0.55 0.12 112.91 119.15 1pwz h THR 67 Ca 0.12 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1pwz h THR 67 Cb 0.50 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1pwz h THR 67 CO 0.02 0.12 -0.25 0.28 0.37 0.00 0.00 175.52 176.06 1pwz h SER 68 N 0.63 -0.59 -0.43 4.18 0.02 -1.09 -0.09 113.55 116.18 1pwz h SER 68 Ca 0.28 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.33 1pwz h SER 68 Cb 0.18 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 1pwz h SER 68 CO -0.18 -0.18 -0.07 0.00 -1.14 0.00 0.00 176.83 175.27 1pwz h ALA 69 N -1.16 0.33 -0.12 3.77 0.00 -0.90 -3.24 119.26 117.94 1pwz h ALA 69 Ca -0.07 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1pwz h ALA 69 Cb 0.54 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1pwz h ALA 69 CO 0.12 -0.43 -0.13 0.66 0.00 0.00 0.00 179.25 179.47 1pwz n TYR 70 N -5.28 0.41 0.00 0.00 4.01 0.41 -5.03 117.16 111.68 1pwz n TYR 70 Ca 0.03 -1.20 0.00 0.00 -0.16 0.00 0.00 57.90 56.57 1pwz n TYR 70 Cb 0.23 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 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 -1.11 2.12 3.76 2.72 0.00 -0.05 -4.91 105.19 107.72 1pwz n GLY 71 Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 1pwz n GLY 71 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pwz s GLN 72 N 0.00 0.85 -0.27 1.61 -2.07 -1.19 -4.69 119.66 113.91 1pwz s GLN 72 Ca 0.00 -0.50 -0.03 0.00 -1.82 0.00 0.00 55.36 53.01 1pwz s GLN 72 Cb 0.00 0.27 0.03 0.00 -1.09 0.00 0.00 33.01 32.22 1pwz s GLN 72 CO 0.00 -0.39 -0.01 0.08 -1.32 0.00 0.00 175.29 173.64 1pwz s VAL 73 N -2.61 3.15 -0.15 3.63 1.01 -1.26 -4.60 120.40 119.57 1pwz s VAL 73 Ca 0.17 -1.04 0.13 0.00 0.00 0.00 0.00 61.98 61.24 1pwz s VAL 73 Cb 0.01 -2.66 -0.24 0.00 0.00 0.00 0.00 36.38 33.49 1pwz s VAL 73 CO 0.00 0.09 0.25 0.47 0.00 0.00 0.00 175.10 175.92 1pwz n ASP 74 N 4.70 0.60 -4.00 3.32 9.92 0.11 -4.82 116.55 126.38 1pwz n ASP 74 Ca -0.15 0.13 -0.21 0.00 -0.53 0.00 0.00 54.79 54.03 1pwz n ASP 74 Cb 0.46 0.41 -0.16 0.00 -0.64 0.00 0.00 41.12 41.19 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 -2.53 0.87 -0.17 2.53 1.01 -0.82 -0.98 120.40 120.31 1pwz s VAL 75 Ca -0.11 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1pwz s VAL 75 Cb 0.07 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1pwz s VAL 75 CO 0.80 0.28 -0.18 -0.22 0.00 0.00 0.00 175.10 175.78 1pwz s LEU 76 N 0.33 2.00 -0.61 3.92 2.96 -0.47 -0.96 118.68 125.85 1pwz s LEU 76 Ca -0.06 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.25 1pwz s LEU 76 Cb -0.11 -1.39 0.15 0.00 0.50 0.00 0.00 46.19 45.35 1pwz s LEU 76 CO 0.01 -0.02 0.39 -0.69 -1.32 0.00 0.00 176.35 174.73 1pwz s VAL 77 N 1.35 3.28 -0.89 1.68 1.01 -0.46 0.07 120.40 126.44 1pwz s VAL 77 Ca 0.05 -3.23 -0.25 0.00 0.00 0.00 0.00 61.98 58.56 1pwz s VAL 77 Cb -0.13 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1pwz s VAL 77 CO -0.12 -0.87 1.57 -0.55 0.00 0.00 0.00 175.10 175.13 1pwz s SER 78 N 0.14 5.98 -0.91 3.32 0.15 0.35 -2.96 113.70 119.77 1pwz s SER 78 Ca 0.18 -0.87 -0.19 0.00 0.70 0.00 0.00 55.95 55.77 1pwz s SER 78 Cb -0.21 -2.56 0.13 0.00 -1.71 0.00 0.00 66.02 61.67 1pwz s SER 78 CO -0.03 -1.96 1.11 0.21 1.20 0.00 0.00 173.24 173.77 1pwz s ASN 79 N 5.77 6.61 -0.06 5.45 2.47 -1.26 -1.41 114.94 132.52 1pwz s ASN 79 Ca 0.52 -2.02 -0.15 0.00 0.42 0.00 0.00 52.86 51.63 1pwz s ASN 79 Cb -0.05 -2.39 -0.05 0.00 -1.45 0.00 0.00 41.25 37.31 1pwz s ASN 79 CO 0.01 -1.06 0.39 -1.81 -3.72 0.00 0.00 177.10 170.90 1pwz s ASP 80 N 3.60 6.70 0.33 -4.21 1.01 -1.23 -4.38 116.67 118.49 1pwz s ASP 80 Ca 0.32 0.83 0.04 0.00 0.71 0.00 0.00 52.55 54.44 1pwz s ASP 80 Cb -0.06 -2.24 -0.06 0.00 1.01 0.00 0.00 42.92 41.58 1pwz s ASP 80 CO -0.09 0.23 0.06 0.27 0.21 0.00 0.00 175.17 175.85 1pwz s ILE 81 N -0.48 1.16 -0.29 0.77 -4.36 -1.26 -4.89 121.20 111.84 1pwz s ILE 81 Ca 0.22 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.36 1pwz s ILE 81 Cb -0.15 -2.76 0.18 0.00 1.25 0.00 0.00 42.46 40.97 1pwz s ILE 81 CO 0.11 0.00 1.37 0.12 0.24 0.00 0.00 174.94 176.77 1pwz s PHE 82 N -3.28 -0.13 -0.59 1.37 2.19 -1.26 -4.63 117.98 111.64 1pwz s PHE 82 Ca 0.35 0.33 -0.17 0.00 0.33 0.00 0.00 56.93 57.77 1pwz s PHE 82 Cb 0.08 0.46 0.13 0.00 -1.31 0.00 0.00 43.02 42.39 1pwz s PHE 82 CO 0.15 -0.07 0.60 0.00 1.83 0.00 0.00 175.22 177.73 1pwz s ALA 83 N 0.05 3.63 0.41 11.12 0.00 -1.26 -5.06 121.76 130.65 1pwz s ALA 83 Ca 0.07 -2.54 -0.04 0.00 0.00 0.00 0.00 51.96 49.45 1pwz s ALA 83 Cb -0.05 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1pwz s ALA 83 CO -0.14 -2.16 0.69 -1.25 0.00 0.00 0.00 175.76 172.90 1pwz s PRO 84 N 1.77 3.55 -0.06 0.00 0.04 -1.26 -5.08 135.00 133.95 1pwz s PRO 84 Ca 0.07 0.03 0.01 0.00 0.04 0.00 0.00 61.00 61.15 1pwz s PRO 84 Cb -0.26 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 1pwz s PRO 84 CO 0.02 -0.04 -0.06 -1.21 0.04 0.00 0.00 177.00 175.75 1pwz s GLU 85 N -4.43 2.72 -0.07 4.56 2.02 -1.26 -5.08 118.70 117.15 1pwz s GLU 85 Ca 0.45 -0.57 -0.27 0.00 0.02 0.00 0.00 54.97 54.59 1pwz s GLU 85 Cb -0.10 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 1pwz s GLU 85 CO 0.40 0.66 0.88 -0.06 0.02 0.00 0.00 175.26 177.15 1pwz s PHE 86 N -0.85 3.56 -0.12 1.61 0.08 -1.26 -4.85 117.98 116.15 1pwz s PHE 86 Ca 0.13 1.46 -0.30 0.00 0.12 0.00 0.00 56.93 58.35 1pwz s PHE 86 Cb -0.11 -3.02 0.09 0.00 -0.57 0.00 0.00 43.02 39.41 1pwz s PHE 86 CO 0.03 -0.07 0.81 -1.14 -0.10 0.00 0.00 175.22 174.75 1pwz s GLN 87 N 1.37 0.85 0.48 0.44 0.74 0.03 -5.02 119.66 118.56 1pwz s GLN 87 Ca 0.44 0.31 -0.24 0.00 0.05 0.00 0.00 55.36 55.93 1pwz s GLN 87 Cb -0.19 0.40 -0.07 0.00 1.10 0.00 0.00 33.01 34.26 1pwz s GLN 87 CO 0.20 -0.24 1.35 -2.14 -0.55 0.00 0.00 175.29 173.91 1pwz s PRO 88 N -0.92 3.50 0.32 1.67 0.02 -1.26 -4.48 135.00 133.85 1pwz s PRO 88 Ca -0.06 2.24 0.09 0.00 0.02 0.00 0.00 61.00 63.29 1pwz s PRO 88 Cb -0.01 -2.48 0.89 0.00 0.02 0.00 0.00 34.50 32.93 1pwz s PRO 88 CO 0.05 -0.90 1.71 0.97 -0.33 0.00 0.00 177.00 178.50 1pwz h ILE 89 N 1.92 0.48 0.00 2.83 6.09 -1.97 0.12 117.51 126.98 1pwz h ILE 89 Ca -0.51 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.81 1pwz h ILE 89 Cb 1.28 -0.06 0.00 0.00 0.47 0.00 0.00 36.82 38.50 1pwz h ILE 89 CO 0.60 0.09 0.00 -2.24 -3.07 0.00 0.00 178.15 173.53 1pwz h ASP 90 N 0.50 0.00 0.39 2.19 2.03 -2.04 -2.97 116.42 116.52 1pwz h ASP 90 Ca 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.95 1pwz h ASP 90 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1pwz h ASP 90 CO -0.51 0.00 -0.49 0.29 -1.03 0.00 0.00 179.24 177.50 1pwz n LYS 91 N -2.55 0.22 -1.94 4.15 4.76 0.02 -4.90 118.16 117.91 1pwz n LYS 91 Ca 0.02 -0.13 -0.29 0.00 -2.87 0.00 0.00 58.31 55.03 1pwz n LYS 91 Cb 0.29 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.04 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 -2.88 3.22 0.07 2.13 1.51 -1.12 -4.96 117.35 115.33 1pwz s TYR 92 Ca 0.14 0.93 0.05 0.00 -1.01 0.00 0.00 57.07 57.18 1pwz s TYR 92 Cb 0.18 -3.14 -0.04 0.00 -0.11 0.00 0.00 41.96 38.85 1pwz s TYR 92 CO 0.67 -1.28 -0.06 0.00 -1.11 0.00 0.00 175.55 173.77 1pwz s ALA 93 N -3.37 3.09 0.65 3.71 0.00 -1.26 -4.99 121.76 119.59 1pwz s ALA 93 Ca 0.59 -1.14 0.44 0.00 0.00 0.00 0.00 51.96 51.84 1pwz s ALA 93 Cb -0.11 -1.06 2.38 0.00 0.00 0.00 0.00 23.12 24.33 1pwz s ALA 93 CO 0.50 0.66 2.36 0.28 0.00 0.00 0.00 175.76 179.56 1pwz h VAL 94 N 3.25 0.04 0.00 0.00 2.07 -1.97 0.12 116.25 119.76 1pwz h VAL 94 Ca -0.48 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1pwz h VAL 94 Cb 1.17 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1pwz h VAL 94 CO 0.55 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.78 1pwz h GLU 95 N 0.00 0.00 0.00 1.57 3.07 -1.98 -2.76 114.58 114.47 1pwz h GLU 95 Ca -0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1pwz h GLU 95 Cb 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1pwz h GLU 95 CO 0.00 0.04 -0.19 -0.44 -1.40 0.00 0.00 179.01 177.02 1pwz h ASP 96 N 0.00 0.00 0.33 1.42 3.32 -1.15 -0.42 116.42 119.91 1pwz h ASP 96 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1pwz h ASP 96 Cb 0.99 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1pwz h ASP 96 CO 0.00 0.19 -1.76 0.22 -1.72 0.00 0.00 179.24 176.18 1pwz h TYR 97 N 0.00 0.37 0.00 4.55 3.20 -1.55 -3.23 116.97 120.31 1pwz h TYR 97 Ca -0.00 -0.27 -0.04 0.00 3.14 0.00 0.00 58.73 61.55 1pwz h TYR 97 Cb 0.60 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1pwz h TYR 97 CO 0.00 1.46 -0.19 0.00 -1.64 0.00 0.00 178.16 177.79 1pwz h ARG 98 N 0.06 0.00 0.14 1.82 3.08 -1.16 -1.16 114.38 117.15 1pwz h ARG 98 Ca -0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 1pwz h ARG 98 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.08 1pwz h ARG 98 CO 0.12 0.19 -0.07 0.78 -1.07 0.00 0.00 179.97 179.92 1pwz h GLY 99 N 0.73 -0.20 0.51 0.04 0.00 -1.19 -2.14 103.07 100.83 1pwz h GLY 99 Ca -0.00 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1pwz h GLY 99 CO 0.03 -0.07 -0.11 0.00 0.00 0.00 0.00 176.54 176.39 1pwz h ALA 100 N 0.13 0.03 -0.80 3.60 0.00 -1.50 -0.95 119.26 119.77 1pwz h ALA 100 Ca -0.02 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pwz h ALA 100 Cb 0.47 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1pwz h ALA 100 CO 0.03 -0.54 0.52 0.28 0.00 0.00 0.00 179.25 179.54 1pwz h VAL 101 N -0.10 1.19 -0.56 0.00 2.07 -1.28 0.21 116.25 117.78 1pwz h VAL 101 Ca 0.10 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1pwz h VAL 101 Cb 0.25 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1pwz h VAL 101 CO -0.23 0.19 -0.08 -0.08 0.02 0.00 0.00 177.57 177.39 1pwz h GLU 102 N 1.06 1.03 0.08 1.57 4.57 -0.97 0.22 114.58 122.14 1pwz h GLU 102 Ca 0.30 -0.37 -0.25 0.00 -1.18 0.00 0.00 59.36 57.86 1pwz h GLU 102 Cb -0.10 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1pwz h GLU 102 CO -0.07 1.06 -1.11 0.00 -1.18 0.00 0.00 179.01 177.71 1pwz h ALA 103 N 0.94 0.22 0.00 2.92 0.00 -0.90 -2.16 119.26 120.28 1pwz h ALA 103 Ca 0.15 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1pwz h ALA 103 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1pwz h ALA 103 CO 0.04 0.90 -1.87 1.28 0.00 0.00 0.00 179.25 179.60 1pwz n LEU 104 N -3.63 0.12 -0.02 0.00 4.77 0.70 -4.43 117.00 114.50 1pwz n LEU 104 Ca -0.08 -0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 55.80 1pwz n LEU 104 Cb 0.94 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.01 1pwz n LEU 104 CO 0.53 0.03 -0.64 0.00 -1.33 0.00 0.00 177.39 175.98 1pwz n GLN 105 N -2.16 0.09 0.09 3.23 6.02 0.66 -4.63 117.38 120.67 1pwz n GLN 105 Ca -0.03 0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 1pwz n GLN 105 Cb 0.53 -0.67 -0.08 0.00 1.02 0.00 0.00 30.24 31.05 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 -0.14 0.95 -0.13 5.09 1.08 -1.28 -2.61 117.51 120.47 1pwz h ILE 106 Ca -0.10 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 1pwz h ILE 106 Cb 1.09 1.10 -0.06 0.00 -3.07 0.00 0.00 36.82 35.88 1pwz h ILE 106 CO -0.06 0.06 -0.54 -0.09 -0.69 0.00 0.00 178.15 176.83 1pwz h ARG 107 N -0.27 -0.57 0.00 2.37 9.65 -1.60 0.36 114.38 124.32 1pwz h ARG 107 Ca -0.02 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1pwz h ARG 107 Cb 0.22 0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1pwz h ARG 107 CO 0.03 -0.38 -0.05 -1.00 2.80 0.00 0.00 179.97 181.37 1pwz h PRO 108 N -0.59 0.00 -0.22 0.20 0.13 -1.83 -0.72 132.00 128.97 1pwz h PRO 108 Ca 0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.07 1pwz h PRO 108 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1pwz h PRO 108 CO -0.44 0.05 -0.22 0.35 -0.23 0.00 0.00 178.00 177.51 1pwz h PHE 109 N 0.00 0.65 -0.54 1.56 3.04 -0.74 -1.95 116.94 118.95 1pwz h PHE 109 Ca -0.00 -0.20 0.01 0.00 3.98 0.00 0.00 57.97 61.76 1pwz h PHE 109 Cb 0.10 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.45 1pwz h PHE 109 CO 0.00 0.88 0.36 0.00 -2.02 0.00 0.00 178.31 177.53 1pwz h ALA 110 N 0.66 0.68 -0.31 2.41 0.00 0.36 0.15 119.26 123.20 1pwz h ALA 110 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pwz h ALA 110 Cb 0.78 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1pwz h ALA 110 CO 0.06 0.12 0.17 -0.07 0.00 0.00 0.00 179.25 179.53 1pwz h LEU 111 N 0.73 0.26 -1.00 0.00 3.38 -1.07 -1.50 115.31 116.10 1pwz h LEU 111 Ca 0.20 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1pwz h LEU 111 Cb -0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1pwz h LEU 111 CO -0.04 0.19 -0.40 0.58 0.09 0.00 0.00 178.44 178.86 1pwz h VAL 112 N 0.35 0.99 0.00 1.22 2.07 -1.06 -2.54 116.25 117.28 1pwz h VAL 112 Ca 0.13 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1pwz h VAL 112 Cb 0.02 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1pwz h VAL 112 CO -0.07 0.39 -0.05 -1.13 0.02 0.00 0.00 177.57 176.72 1pwz h ASN 113 N 0.00 0.00 0.08 0.57 -0.73 0.17 -1.88 115.58 113.79 1pwz h ASN 113 Ca -0.00 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 57.83 1pwz h ASN 113 Cb 0.87 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.43 1pwz h ASN 113 CO 0.05 0.05 -1.84 0.00 -0.37 0.00 0.00 177.43 175.32 1pwz n ALA 114 N -2.12 0.90 1.10 1.57 0.00 -0.65 -4.39 120.51 116.92 1pwz n ALA 114 Ca 0.01 -0.61 0.12 0.00 0.00 0.00 0.00 53.44 52.96 1pwz n ALA 114 Cb 0.35 -0.58 0.29 0.00 0.00 0.00 0.00 19.45 19.50 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 -3.76 0.00 -0.16 0.00 3.14 -1.07 -4.44 118.33 112.04 1pwz n VAL 115 Ca -0.34 -0.06 -0.05 0.00 -2.96 0.00 0.00 64.34 60.93 1pwz n VAL 115 Cb 0.94 0.36 0.04 0.00 -1.06 0.00 0.00 33.84 34.12 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 3.31 0.61 -0.61 1.55 0.00 -1.54 -3.01 119.26 119.57 1pwz h ALA 116 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1pwz h ALA 116 Cb 0.51 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1pwz h ALA 116 CO 0.00 -0.10 0.29 0.66 0.00 0.00 0.00 179.25 180.11 1pwz h SER 117 N 0.49 0.80 -0.55 0.00 4.64 -1.85 -2.02 113.55 115.06 1pwz h SER 117 Ca 0.21 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 1pwz h SER 117 Cb 0.11 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1pwz h SER 117 CO -0.14 0.71 0.06 0.06 -0.87 0.00 0.00 176.83 176.65 1pwz h GLN 118 N 0.84 0.93 -0.59 4.77 3.07 -1.84 -1.36 115.11 120.92 1pwz h GLN 118 Ca 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 58.65 58.66 1pwz h GLN 118 Cb 0.12 -0.10 -0.03 0.00 0.08 0.00 0.00 27.48 27.55 1pwz h GLN 118 CO -0.03 0.91 0.28 0.52 0.09 0.00 0.00 178.83 180.60 1pwz h MET 119 N 0.81 0.85 -0.17 0.06 2.86 -1.41 -2.29 114.93 115.64 1pwz h MET 119 Ca 0.16 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1pwz h MET 119 Cb 0.45 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1pwz h MET 119 CO 0.02 0.69 -0.14 0.87 1.06 0.00 0.00 176.91 179.40 1pwz h LYS 120 N 0.80 0.27 -0.39 1.72 1.57 -1.20 -0.01 116.57 119.33 1pwz h LYS 120 Ca 0.20 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.76 1pwz h LYS 120 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1pwz h LYS 120 CO -0.02 0.42 -0.36 0.87 -0.57 0.00 0.00 179.45 179.79 1pwz h LYS 121 N 0.26 0.94 -0.01 3.15 1.57 -0.82 -2.80 116.57 118.87 1pwz h LYS 121 Ca 0.05 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1pwz h LYS 121 Cb 0.41 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1pwz h LYS 121 CO 0.02 1.15 -0.18 0.54 -0.57 0.00 0.00 179.45 180.41 1pwz n ARG 122 N -4.07 0.87 -3.74 3.15 1.74 -0.90 -4.93 116.66 108.77 1pwz n ARG 122 Ca -0.02 -0.44 -0.23 0.00 -0.77 0.00 0.00 57.85 56.39 1pwz n ARG 122 Cb 0.53 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.51 1pwz n ARG 122 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1pwz n LYS 123 N -0.68 -5.00 -3.59 5.56 5.02 -0.11 -4.98 118.16 114.38 1pwz n LYS 123 Ca 0.14 0.61 -0.10 0.00 -2.02 0.00 0.00 58.31 56.94 1pwz n LYS 123 Cb 0.32 -5.22 -0.05 0.00 -0.02 0.00 0.00 35.03 30.06 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 -4.20 -0.38 0.00 4.39 1.04 -0.66 -4.63 113.70 109.26 1pwz s SER 124 Ca 0.11 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1pwz s SER 124 Cb -0.05 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1pwz s SER 124 CO 0.82 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.35 1pwz n GLY 125 N 1.01 2.06 2.94 7.32 0.00 -1.26 -4.55 105.19 112.70 1pwz n GLY 125 Ca -0.11 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.93 -0.02 -0.08 1.61 3.76 -0.16 -3.71 115.29 114.76 1pwz s HIS 126 Ca 0.00 0.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.98 1pwz s HIS 126 Cb 0.00 -0.01 0.02 0.00 1.11 0.00 0.00 32.58 33.70 1pwz s HIS 126 CO 0.00 -0.06 -0.12 0.42 -0.85 0.00 0.00 174.74 174.14 1pwz s ILE 127 N -0.19 1.16 -0.05 0.60 1.01 -0.35 -1.37 121.20 122.01 1pwz s ILE 127 Ca -0.02 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1pwz s ILE 127 Cb -0.02 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.38 1pwz s ILE 127 CO 0.00 0.37 -0.10 -0.63 0.00 0.00 0.00 174.94 174.58 1pwz s ILE 128 N 0.91 0.93 -0.15 2.92 1.01 0.11 -1.02 121.20 125.92 1pwz s ILE 128 Ca -0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 1pwz s ILE 128 Cb -0.15 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1pwz s ILE 128 CO 0.01 0.30 -0.05 -0.36 0.00 0.00 0.00 174.94 174.84 1pwz s PHE 129 N 0.54 3.00 -0.43 3.97 2.99 -0.48 -0.49 117.98 127.08 1pwz s PHE 129 Ca -0.10 -0.31 -0.15 0.00 0.00 0.00 0.00 56.93 56.37 1pwz s PHE 129 Cb -0.13 -1.93 0.04 0.00 0.00 0.00 0.00 43.02 41.00 1pwz s PHE 129 CO 0.02 -0.02 0.33 0.42 -0.00 0.00 0.00 175.22 175.96 1pwz s ILE 130 N 0.27 5.23 0.00 0.64 -1.09 -0.50 0.03 121.20 125.78 1pwz s ILE 130 Ca -0.04 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1pwz s ILE 130 Cb -0.14 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 1pwz s ILE 130 CO 0.03 -0.39 0.00 0.35 -1.23 0.00 0.00 174.94 173.70 1pwz n THR 131 N 5.17 0.00 -3.60 2.92 -2.24 0.15 -3.54 114.28 113.14 1pwz n THR 131 Ca -0.11 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1pwz n THR 131 Cb 0.46 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.34 0.00 3.42 0.15 -1.26 -4.47 113.70 110.90 1pwz s SER 132 Ca 0.00 0.45 0.21 0.00 0.70 0.00 0.00 55.95 57.32 1pwz s SER 132 Cb 0.00 0.39 0.74 0.00 -1.71 0.00 0.00 66.02 65.43 1pwz s SER 132 CO 0.00 -0.26 1.54 0.00 1.20 0.00 0.00 173.24 175.72 1pwz n ALA 133 N 1.05 2.51 0.23 5.45 0.00 0.31 -4.21 120.51 125.86 1pwz n ALA 133 Ca -0.10 -0.55 0.08 0.00 0.00 0.00 0.00 53.44 52.87 1pwz n ALA 133 Cb 0.57 -1.07 0.57 0.00 0.00 0.00 0.00 19.45 19.53 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 2.42 0.89 0.00 0.00 1.35 -1.87 -2.24 112.91 113.46 1pwz h THR 134 Ca 0.00 -0.72 -0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1pwz h THR 134 Cb 0.53 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1pwz h THR 134 CO 0.00 0.19 -0.02 -0.65 -0.25 0.00 0.00 175.52 174.78 1pwz h PRO 135 N 0.00 0.00 0.00 4.72 0.11 -1.82 -1.94 132.00 133.08 1pwz h PRO 135 Ca -0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 1pwz h PRO 135 Cb 0.40 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1pwz h PRO 135 CO 0.02 0.02 -0.35 0.35 -0.21 0.00 0.00 178.00 177.83 1pwz h PHE 136 N 0.00 0.00 -1.50 0.65 3.57 -1.71 -3.39 116.94 114.55 1pwz h PHE 136 Ca -0.00 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.17 1pwz h PHE 136 Cb 0.40 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 38.89 1pwz h PHE 136 CO 0.00 0.35 -0.69 0.41 -2.23 0.00 0.00 178.31 176.15 1pwz n GLY 137 N 1.08 0.55 3.77 2.40 0.00 -0.90 -5.00 105.19 107.09 1pwz n GLY 137 Ca 0.02 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1pwz n GLY 137 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pwz s PRO 138 N 0.51 4.05 0.27 1.61 0.02 -0.78 -4.79 135.00 135.90 1pwz s PRO 138 Ca 0.31 2.29 0.01 0.00 0.02 0.00 0.00 61.00 63.63 1pwz s PRO 138 Cb 0.03 -2.87 -0.04 0.00 0.02 0.00 0.00 34.50 31.65 1pwz s PRO 138 CO -0.12 -0.47 0.45 -1.58 -0.33 0.00 0.00 177.00 174.96 1pwz s TRP 139 N -1.19 3.48 0.37 6.54 0.51 -1.26 -5.07 118.94 122.32 1pwz s TRP 139 Ca 0.55 0.28 -0.21 0.00 -2.12 0.00 0.00 56.10 54.60 1pwz s TRP 139 Cb -0.41 -1.82 -0.10 0.00 -0.81 0.00 0.00 33.47 30.33 1pwz s TRP 139 CO 0.54 0.28 0.89 -1.59 -0.51 0.00 0.00 176.95 176.56 1pwz s LYS 140 N -3.86 4.26 -0.35 4.98 -2.85 -1.26 -4.09 119.74 116.56 1pwz s LYS 140 Ca 0.38 1.05 -0.01 0.00 -1.00 0.00 0.00 55.97 56.40 1pwz s LYS 140 Cb -0.10 -2.40 0.00 0.00 -2.06 0.00 0.00 37.83 33.27 1pwz s LYS 140 CO 0.32 0.10 0.09 0.39 0.10 0.00 0.00 175.35 176.35 1pwz n GLU 141 N -0.25 -0.86 -1.56 1.78 1.02 -1.26 -4.91 120.64 114.59 1pwz n GLU 141 Ca 0.05 0.21 0.03 0.00 -0.02 0.00 0.00 57.16 57.42 1pwz n GLU 141 Cb 0.53 -3.70 0.01 0.00 -0.02 0.00 0.00 31.44 28.26 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 -0.95 0.84 -0.34 -4.62 7.94 -1.26 -0.79 117.00 117.83 1pwz n LEU 142 Ca -0.03 -2.08 0.15 0.00 -1.11 0.00 0.00 56.01 52.94 1pwz n LEU 142 Cb 0.53 0.03 0.37 0.00 0.53 0.00 0.00 43.42 44.88 1pwz n LEU 142 CO 0.09 0.63 1.19 0.77 -1.11 0.00 0.00 177.39 178.97 1pwz h SER 143 N 1.02 0.70 0.20 1.96 4.64 -1.86 -1.90 113.55 118.31 1pwz h SER 143 Ca -0.26 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1pwz h SER 143 Cb 1.81 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 1pwz h SER 143 CO 0.07 0.22 -0.10 0.71 -0.87 0.00 0.00 176.83 176.86 1pwz h THR 144 N 0.66 0.00 -0.33 2.95 1.35 -1.93 -1.57 112.91 114.04 1pwz h THR 144 Ca 0.58 -0.05 0.07 0.00 -0.55 0.00 0.00 66.41 66.47 1pwz h THR 144 Cb 1.05 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 67.39 1pwz h THR 144 CO -0.37 0.00 -0.20 0.22 -0.25 0.00 0.00 175.52 174.92 1pwz h TYR 145 N -0.33 -0.51 -0.07 4.73 5.03 -1.91 -2.05 116.97 121.85 1pwz h TYR 145 Ca -0.03 0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.34 1pwz h TYR 145 Cb 0.21 0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.75 1pwz h TYR 145 CO 0.14 -0.28 -0.05 1.15 -1.32 0.00 0.00 178.16 177.80 1pwz h THR 146 N -0.16 0.86 -0.43 1.81 2.02 -1.44 -1.70 112.91 113.86 1pwz h THR 146 Ca 0.17 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.29 1pwz h THR 146 Cb 0.42 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1pwz h THR 146 CO -0.43 0.00 0.01 0.77 0.37 0.00 0.00 175.52 176.25 1pwz h SER 147 N -0.05 0.65 -0.31 4.18 4.64 -1.07 -2.61 113.55 118.98 1pwz h SER 147 Ca 0.05 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.11 1pwz h SER 147 Cb 0.12 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1pwz h SER 147 CO -0.10 0.71 -0.23 0.00 -0.87 0.00 0.00 176.83 176.34 1pwz h ALA 148 N 1.37 0.85 -0.85 5.18 0.00 -1.14 -2.61 119.26 122.06 1pwz h ALA 148 Ca 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1pwz h ALA 148 Cb 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1pwz h ALA 148 CO 0.01 0.64 0.50 0.00 0.00 0.00 0.00 179.25 180.40 1pwz h ARG 149 N 0.69 1.16 -0.88 0.00 2.47 -1.03 -2.05 114.38 114.74 1pwz h ARG 149 Ca 0.09 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1pwz h ARG 149 Cb 0.74 -0.24 -0.04 0.00 -1.65 0.00 0.00 29.97 28.78 1pwz h ARG 149 CO 0.06 0.83 0.55 0.00 0.56 0.00 0.00 179.97 181.97 1pwz h ALA 150 N 1.27 1.31 -0.87 0.04 0.00 -1.17 -0.81 119.26 119.04 1pwz h ALA 150 Ca 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1pwz h ALA 150 Cb -0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 1pwz h ALA 150 CO -0.05 0.61 0.46 0.78 0.00 0.00 0.00 179.25 181.05 1pwz h GLY 151 N 1.22 1.30 1.03 0.00 0.00 -1.03 -1.39 103.07 104.20 1pwz h GLY 151 Ca 0.32 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1pwz h GLY 151 CO -0.06 0.58 -0.07 0.00 0.00 0.00 0.00 176.54 176.98 1pwz h ALA 152 N 1.25 0.65 -0.16 3.60 0.00 -0.81 0.41 119.26 124.20 1pwz h ALA 152 Ca 0.30 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1pwz h ALA 152 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pwz h ALA 152 CO -0.05 0.52 0.04 0.00 0.00 0.00 0.00 179.25 179.76 1pwz h THR 154 N 0.11 1.24 0.22 0.00 2.02 -1.11 -2.54 112.91 112.84 1pwz h THR 154 Ca 0.07 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1pwz h THR 154 Cb 0.06 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1pwz h THR 154 CO -0.09 0.34 -0.21 0.25 0.37 0.00 0.00 175.52 176.17 1pwz h LEU 155 N 0.23 -0.57 -0.39 2.58 6.46 -0.38 -0.15 115.31 123.08 1pwz h LEU 155 Ca 0.04 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.93 1pwz h LEU 155 Cb 0.57 0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 40.61 1pwz h LEU 155 CO 0.04 -0.32 -0.13 0.00 -0.62 0.00 0.00 178.44 177.42 1pwz h ALA 156 N 0.25 0.21 -0.62 1.25 0.00 -1.07 0.04 119.26 119.33 1pwz h ALA 156 Ca -0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1pwz h ALA 156 Cb 0.43 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1pwz h ALA 156 CO -0.05 -0.48 0.33 -0.97 0.00 0.00 0.00 179.25 178.08 1pwz h ASN 157 N -0.04 0.78 -0.82 0.00 -0.73 -1.17 -1.78 115.58 111.81 1pwz h ASN 157 Ca 0.19 -0.10 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 1pwz h ASN 157 Cb 0.33 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.69 1pwz h ASN 157 CO -0.43 0.66 0.36 0.00 -0.37 0.00 0.00 177.43 177.65 1pwz h ALA 158 N 1.15 1.07 0.00 1.57 0.00 -0.28 -2.45 119.26 120.32 1pwz h ALA 158 Ca 0.22 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1pwz h ALA 158 Cb 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1pwz h ALA 158 CO -0.03 0.67 -0.33 -0.07 0.00 0.00 0.00 179.25 179.49 1pwz h LEU 159 N 1.19 0.00 -1.90 0.00 3.38 -0.73 -2.21 115.31 115.05 1pwz h LEU 159 Ca 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1pwz h LEU 159 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1pwz h LEU 159 CO -0.03 0.33 -0.12 0.77 0.09 0.00 0.00 178.44 179.47 1pwz h SER 160 N 0.00 0.00 -0.15 -0.43 4.64 -0.83 -1.53 113.55 115.25 1pwz h SER 160 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 1pwz h SER 160 Cb 0.66 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1pwz h SER 160 CO 0.04 0.12 -0.66 0.11 -0.87 0.00 0.00 176.83 175.58 1pwz h LYS 161 N 0.00 0.71 0.04 4.77 1.79 -1.38 -2.75 116.57 119.75 1pwz h LYS 161 Ca -0.00 -0.56 -0.30 0.00 -2.18 0.00 0.00 60.65 57.61 1pwz h LYS 161 Cb 0.33 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 1pwz h LYS 161 CO 0.02 1.18 -1.64 1.05 -1.08 0.00 0.00 179.45 178.97 1pwz h GLU 162 N 0.41 0.08 -0.00 3.15 4.11 -1.54 -3.36 114.58 117.43 1pwz h GLU 162 Ca -0.04 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1pwz h GLU 162 Cb 1.29 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1pwz h GLU 162 CO 0.14 0.76 -0.12 1.28 0.07 0.00 0.00 179.01 181.14 1pwz n LEU 163 N -3.21 0.15 -0.00 3.06 4.77 -0.60 -3.57 117.00 117.61 1pwz n LEU 163 Ca -0.17 0.33 -0.01 0.00 -0.03 0.00 0.00 56.01 56.12 1pwz n LEU 163 Cb 1.04 -0.40 0.27 0.00 -2.33 0.00 0.00 43.42 42.00 1pwz n LEU 163 CO 0.46 0.04 0.88 1.23 -1.33 0.00 0.00 177.39 178.66 1pwz h GLY 164 N 5.00 0.56 2.00 -0.72 0.00 -1.61 -0.40 103.07 107.91 1pwz h GLY 164 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1pwz h GLY 164 CO 0.00 0.34 -0.04 -2.09 0.00 0.00 0.00 176.54 174.74 1pwz h GLU 165 N 0.49 0.00 -0.66 4.80 4.81 -1.80 0.49 114.58 122.71 1pwz h GLU 165 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1pwz h GLU 165 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1pwz h GLU 165 CO 0.02 0.04 0.00 0.66 -0.73 0.00 0.00 179.01 179.00 1pwz n TYR 166 N -4.25 1.57 -3.57 0.92 4.01 -0.69 -4.95 117.16 110.20 1pwz n TYR 166 Ca -0.03 -0.62 -0.22 0.00 -0.16 0.00 0.00 57.90 56.88 1pwz n TYR 166 Cb 0.13 -0.27 0.08 0.00 -0.31 0.00 0.00 39.34 38.96 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 1.14 -4.23 -3.97 7.72 5.15 0.16 -3.56 115.26 117.67 1pwz n ASN 167 Ca 0.27 -0.61 -0.31 0.00 -0.60 0.00 0.00 54.58 53.33 1pwz n ASN 167 Cb 0.93 -4.90 -0.16 0.00 -0.53 0.00 0.00 39.78 35.12 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 -3.36 1.63 0.29 -1.44 1.01 -0.24 -4.20 121.20 114.89 1pwz s ILE 168 Ca 0.33 -1.22 -0.28 0.00 0.00 0.00 0.00 60.65 59.49 1pwz s ILE 168 Cb -0.15 -1.83 -0.09 0.00 0.01 0.00 0.00 42.46 40.39 1pwz s ILE 168 CO 0.74 -0.03 0.96 -2.84 0.00 0.00 0.00 174.94 173.78 1pwz s PRO 169 N 1.36 4.68 -0.07 2.79 0.02 -1.24 -3.94 135.00 138.60 1pwz s PRO 169 Ca -0.05 1.43 0.02 0.00 0.02 0.00 0.00 61.00 62.42 1pwz s PRO 169 Cb -0.18 -3.00 0.01 0.00 0.02 0.00 0.00 34.50 31.35 1pwz s PRO 169 CO -0.06 0.35 -0.12 0.08 -0.33 0.00 0.00 177.00 176.92 1pwz s VAL 170 N -1.42 1.13 0.20 3.83 1.01 -1.26 -1.21 120.40 122.68 1pwz s VAL 170 Ca 0.47 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1pwz s VAL 170 Cb -0.23 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1pwz s VAL 170 CO 0.28 0.36 -0.05 -0.36 0.00 0.00 0.00 175.10 175.33 1pwz s PHE 171 N 0.76 1.45 -0.05 5.22 0.40 -0.19 0.47 117.98 126.04 1pwz s PHE 171 Ca -0.13 -0.85 0.01 0.00 -0.60 0.00 0.00 56.93 55.36 1pwz s PHE 171 Cb -0.16 -0.80 0.02 0.00 0.51 0.00 0.00 43.02 42.60 1pwz s PHE 171 CO 0.03 0.02 -0.06 0.00 0.70 0.00 0.00 175.22 175.90 1pwz s ALA 172 N -3.37 0.85 -0.29 5.36 0.00 -0.66 -1.38 121.76 122.27 1pwz s ALA 172 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.99 1pwz s ALA 172 Cb 0.04 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.69 1pwz s ALA 172 CO 0.05 -0.04 0.02 0.42 0.00 0.00 0.00 175.76 176.22 1pwz s ILE 173 N 0.97 3.36 -0.56 0.00 1.01 0.10 0.74 121.20 126.83 1pwz s ILE 173 Ca -0.10 -1.04 -0.10 0.00 0.00 0.00 0.00 60.65 59.42 1pwz s ILE 173 Cb -0.14 -2.80 0.14 0.00 0.01 0.00 0.00 42.46 39.67 1pwz s ILE 173 CO 0.00 0.03 0.45 -0.83 0.00 0.00 0.00 174.94 174.59 1pwz s GLY 174 N 1.37 2.22 0.81 6.18 0.00 0.24 -0.68 107.32 117.46 1pwz s GLY 174 Ca -0.01 -2.77 -0.09 0.00 0.00 0.00 0.00 44.72 41.85 1pwz s GLY 174 CO -0.00 1.15 1.13 -4.14 0.00 0.00 0.00 173.10 171.23 1pwz s PRO 175 N 0.99 1.44 -0.29 2.90 0.02 -1.26 -1.77 135.00 137.04 1pwz s PRO 175 Ca 0.09 -0.55 -0.21 0.00 0.02 0.00 0.00 61.00 60.35 1pwz s PRO 175 Cb -0.23 -2.08 0.14 0.00 0.02 0.00 0.00 34.50 32.34 1pwz s PRO 175 CO -0.02 -1.76 1.05 1.21 -0.33 0.00 0.00 177.00 177.15 1pwz s ASN 176 N -4.73 -0.43 -1.15 2.53 2.47 -0.86 -0.53 114.94 112.24 1pwz s ASN 176 Ca 0.67 0.77 -0.06 0.00 0.42 0.00 0.00 52.86 54.66 1pwz s ASN 176 Cb -0.07 0.94 0.01 0.00 -1.45 0.00 0.00 41.25 40.68 1pwz s ASN 176 CO 0.48 -0.13 1.00 -1.22 -3.72 0.00 0.00 177.10 173.51 1pwz n TYR 177 N 2.75 -2.39 -3.34 0.43 4.02 -1.26 -4.42 117.16 112.94 1pwz n TYR 177 Ca -0.15 0.87 -0.41 0.00 -0.01 0.00 0.00 57.90 58.21 1pwz n TYR 177 Cb 0.57 -4.52 -0.09 0.00 -0.02 0.00 0.00 39.34 35.28 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 -6.33 4.30 -0.20 7.72 2.96 -1.26 0.25 118.68 126.12 1pwz s LEU 178 Ca 0.42 -0.01 -0.33 0.00 -0.22 0.00 0.00 54.13 53.98 1pwz s LEU 178 Cb -0.19 -2.45 -0.10 0.00 0.50 0.00 0.00 46.19 43.95 1pwz s LEU 178 CO 0.63 -0.35 2.05 1.57 -1.32 0.00 0.00 176.35 178.93 1pwz n HIS 179 N 5.50 2.04 0.48 5.38 -0.00 0.06 -4.04 115.22 124.63 1pwz n HIS 179 Ca -0.07 0.06 0.10 0.00 -0.00 0.00 0.00 57.72 57.81 1pwz n HIS 179 Cb 0.50 -2.64 0.27 0.00 -0.00 0.00 0.00 29.99 28.11 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 8.67 2.87 0.00 0.26 3.41 0.04 -4.43 113.62 124.45 1pwz n SER 180 Ca 0.30 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 1pwz n SER 180 Cb 0.31 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.09 0.00 -0.00 4.33 1.02 -1.25 -1.45 120.64 124.37 1pwz n GLU 181 Ca 0.18 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.27 1pwz n GLU 181 Cb 0.49 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.79 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 7.24 0.86 -4.77 1.62 8.00 -1.26 -0.41 116.55 127.82 1pwz n ASP 182 Ca 0.00 0.40 -0.39 0.00 0.71 0.00 0.00 54.79 55.51 1pwz n ASP 182 Cb 0.00 0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 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 -5.96 6.48 0.00 -2.24 0.15 -0.53 -4.92 113.70 106.68 1pwz s SER 183 Ca -0.04 2.52 0.31 0.00 0.70 0.00 0.00 55.95 59.44 1pwz s SER 183 Cb 0.08 -2.63 1.71 0.00 -1.71 0.00 0.00 66.02 63.47 1pwz s SER 183 CO 0.82 -0.72 2.12 -0.81 1.20 0.00 0.00 173.24 175.85 1pwz n PRO 184 N 0.22 0.93 -3.58 5.44 -0.04 -1.26 -3.66 135.00 133.05 1pwz n PRO 184 Ca 0.03 -0.11 -0.40 0.00 -0.04 0.00 0.00 63.50 62.99 1pwz n PRO 184 Cb 0.45 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.14 3.47 0.00 0.54 2.02 -1.26 -4.32 117.35 115.66 1pwz s TYR 185 Ca 0.42 -2.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.07 1pwz s TYR 185 Cb 0.21 -3.46 0.00 0.00 -0.40 0.00 0.00 41.96 38.32 1pwz s TYR 185 CO 0.39 -0.97 0.55 1.19 -1.57 0.00 0.00 175.55 175.14 1pwz n PHE 186 N 4.63 0.00 -3.22 2.71 3.01 -1.26 -1.15 117.46 122.18 1pwz n PHE 186 Ca -0.04 -0.08 -0.24 0.00 1.01 0.00 0.00 57.45 58.09 1pwz n PHE 186 Cb 0.41 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.80 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 -0.08 0.07 -1.93 1.38 4.02 -1.26 -4.99 117.16 114.37 1pwz n TYR 187 Ca 0.00 -3.62 -0.36 0.00 -0.01 0.00 0.00 57.90 53.91 1pwz n TYR 187 Cb 0.43 -0.36 0.04 0.00 -0.02 0.00 0.00 39.34 39.44 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 -1.29 2.86 0.30 -0.72 0.04 -1.24 -0.78 135.00 134.17 1pwz s PRO 188 Ca 0.35 1.83 0.05 0.00 0.04 0.00 0.00 61.00 63.28 1pwz s PRO 188 Cb 0.16 -1.91 0.78 0.00 0.04 0.00 0.00 34.50 33.57 1pwz s PRO 188 CO -0.10 -1.30 1.67 1.15 0.04 0.00 0.00 177.00 178.46 1pwz h THR 189 N 0.73 0.39 -3.80 1.26 2.02 -1.05 -2.97 112.91 109.49 1pwz h THR 189 Ca -0.50 -0.11 -0.64 0.00 0.77 0.00 0.00 66.41 65.93 1pwz h THR 189 Cb 1.30 0.04 -0.19 0.00 -1.74 0.00 0.00 68.15 67.56 1pwz h THR 189 CO 0.54 0.06 -0.56 -1.61 0.37 0.00 0.00 175.52 174.33 1pwz s GLU 190 N -5.87 3.82 -0.00 6.66 0.41 -1.26 0.04 118.70 122.50 1pwz s GLU 190 Ca -0.11 -0.39 0.21 0.00 -0.41 0.00 0.00 54.97 54.27 1pwz s GLU 190 Cb 0.26 -3.55 -0.23 0.00 -1.78 0.00 0.00 34.13 28.84 1pwz s GLU 190 CO 0.78 -0.20 0.85 -0.35 -0.49 0.00 0.00 175.26 175.86 1pwz n PRO 191 N 5.01 0.09 -0.26 0.39 -0.04 -1.24 -4.95 135.00 134.01 1pwz n PRO 191 Ca -0.15 -0.03 0.33 0.00 -0.04 0.00 0.00 63.50 63.61 1pwz n PRO 191 Cb 0.52 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.12 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 0.00 0.00 -0.00 0.54 4.06 -1.41 0.34 115.95 119.47 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 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.73 1pwz h TRP 192 CO 0.00 0.00 -0.38 1.63 -3.56 0.00 0.00 178.44 176.13 1pwz n LYS 193 N -3.68 2.71 -0.02 0.49 5.02 0.11 -4.19 118.16 118.59 1pwz n LYS 193 Ca 0.24 -0.32 -0.04 0.00 -2.02 0.00 0.00 58.31 56.17 1pwz n LYS 193 Cb 1.36 -1.07 -0.02 0.00 -0.02 0.00 0.00 35.03 35.28 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 -0.75 0.22 -2.31 -0.18 -2.24 -0.02 -4.99 114.28 104.01 1pwz n THR 194 Ca 0.03 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 1pwz n THR 194 Cb 0.20 -1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 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 -4.87 6.70 0.32 3.42 3.04 -0.42 -4.93 114.94 118.20 1pwz s ASN 195 Ca -0.05 1.57 0.06 0.00 0.04 0.00 0.00 52.86 54.47 1pwz s ASN 195 Cb 0.02 -2.54 0.87 0.00 -1.54 0.00 0.00 41.25 38.06 1pwz s ASN 195 CO 0.08 -1.00 1.59 -0.65 -3.04 0.00 0.00 177.10 174.08 1pwz h PRO 196 N 9.27 0.04 0.11 0.43 0.11 -1.94 -1.80 132.00 138.22 1pwz h PRO 196 Ca -0.29 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.83 1pwz h PRO 196 Cb 1.12 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1pwz h PRO 196 CO 1.00 0.03 -0.17 0.93 -0.21 0.00 0.00 178.00 179.57 1pwz h GLU 197 N 0.04 -0.33 -0.71 1.05 3.07 -1.95 0.91 114.58 116.66 1pwz h GLU 197 Ca 0.64 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.48 1pwz h GLU 197 Cb 1.43 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 29.38 1pwz h GLU 197 CO -0.84 -0.22 0.26 0.45 -1.40 0.00 0.00 179.01 177.25 1pwz h HIS 198 N -0.34 1.10 -0.68 4.33 3.86 -1.67 -1.05 115.15 120.71 1pwz h HIS 198 Ca 0.02 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 1pwz h HIS 198 Cb 0.35 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 1pwz h HIS 198 CO -0.17 0.85 0.21 0.28 0.86 0.00 0.00 177.93 179.97 1pwz h VAL 199 N 1.04 1.25 -0.04 2.45 2.07 -1.04 -1.98 116.25 120.01 1pwz h VAL 199 Ca 0.24 -0.86 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 1pwz h VAL 199 Cb 0.24 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1pwz h VAL 199 CO -0.01 0.33 -0.63 0.00 0.02 0.00 0.00 177.57 177.28 1pwz h ALA 200 N 1.23 0.88 0.60 1.67 0.00 -0.40 -2.36 119.26 120.88 1pwz h ALA 200 Ca 0.22 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1pwz h ALA 200 Cb 0.28 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pwz h ALA 200 CO -0.01 0.76 -0.29 1.25 0.00 0.00 0.00 179.25 180.97 1pwz h HIS 201 N 0.10 -0.74 -0.89 0.00 6.17 -0.84 -1.94 115.15 117.00 1pwz h HIS 201 Ca -0.01 -0.02 0.16 0.00 0.71 0.00 0.00 60.37 61.21 1pwz h HIS 201 Cb 1.13 0.25 -0.10 0.00 2.52 0.00 0.00 27.41 31.21 1pwz h HIS 201 CO 0.01 -0.41 0.47 0.28 0.71 0.00 0.00 177.93 179.00 1pwz h VAL 202 N -1.02 0.72 -0.86 5.26 2.07 -1.42 0.10 116.25 121.10 1pwz h VAL 202 Ca -0.08 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1pwz h VAL 202 Cb 0.67 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1pwz h VAL 202 CO 0.13 0.12 0.57 0.50 0.02 0.00 0.00 177.57 178.91 1pwz h LYS 203 N 0.65 1.03 0.21 1.57 1.63 -1.28 -2.68 116.57 117.71 1pwz h LYS 203 Ca 0.49 -0.06 -0.27 0.00 -0.85 0.00 0.00 60.65 59.96 1pwz h LYS 203 Cb 0.71 -0.23 0.03 0.00 -0.60 0.00 0.00 32.23 32.14 1pwz h LYS 203 CO -0.37 0.68 -1.19 -0.22 -3.45 0.00 0.00 179.45 174.90 1pwz h LYS 204 N 1.07 0.44 -0.00 1.90 3.64 -0.08 -3.39 116.57 120.14 1pwz h LYS 204 Ca 0.34 -0.75 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1pwz h LYS 204 Cb 0.04 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1pwz h LYS 204 CO -0.10 1.36 -0.39 1.33 -2.27 0.00 0.00 179.45 179.38 1pwz n VAL 205 N -3.90 0.00 -4.23 2.00 0.24 -0.03 -4.65 118.33 107.77 1pwz n VAL 205 Ca -0.16 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.34 61.82 1pwz n VAL 205 Cb 0.98 0.18 -0.10 0.00 -1.47 0.00 0.00 33.84 33.43 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 -2.89 3.41 0.14 3.34 -4.23 -1.02 -1.85 115.64 112.54 1pwz s THR 206 Ca 0.14 -1.25 -0.07 0.00 -1.18 0.00 0.00 61.69 59.34 1pwz s THR 206 Cb 0.18 -2.60 -0.13 0.00 1.34 0.00 0.00 72.50 71.29 1pwz s THR 206 CO 0.64 0.12 1.36 0.00 -0.54 0.00 0.00 174.62 176.20 1pwz h ALA 207 N 3.61 0.44 0.00 3.99 0.00 -0.41 -3.10 119.26 123.79 1pwz h ALA 207 Ca -0.49 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1pwz h ALA 207 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1pwz h ALA 207 CO 0.53 0.72 0.00 1.28 0.00 0.00 0.00 179.25 181.78 1pwz n LEU 208 N -3.88 0.48 -3.10 0.00 4.77 -0.91 -4.95 117.00 109.40 1pwz n LEU 208 Ca -0.06 0.56 -0.14 0.00 -0.03 0.00 0.00 56.01 56.34 1pwz n LEU 208 Cb 0.73 -0.43 0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1pwz n LEU 208 CO 0.51 -0.19 0.07 0.00 -1.33 0.00 0.00 177.39 176.45 1pwz n GLN 209 N -1.96 -4.41 -3.61 3.23 6.02 -1.17 -5.01 117.38 110.46 1pwz n GLN 209 Ca 0.05 0.76 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 1pwz n GLN 209 Cb 0.35 -5.41 -0.01 0.00 1.02 0.00 0.00 30.24 26.19 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 -4.84 0.36 0.67 -1.09 1.70 -1.26 -4.65 118.95 109.84 1pwz s ARG 210 Ca 0.15 -0.19 -0.11 0.00 -0.47 0.00 0.00 55.73 55.11 1pwz s ARG 210 Cb -0.02 0.13 -0.01 0.00 -0.57 0.00 0.00 34.95 34.48 1pwz s ARG 210 CO 0.65 -0.16 1.06 -0.51 -1.08 0.00 0.00 175.30 175.25 1pwz s LEU 211 N -2.81 3.07 0.21 -1.89 1.43 -1.26 -4.91 118.68 112.52 1pwz s LEU 211 Ca 0.13 1.35 -0.15 0.00 -1.03 0.00 0.00 54.13 54.44 1pwz s LEU 211 Cb 0.04 -4.27 -0.08 0.00 0.03 0.00 0.00 46.19 41.91 1pwz s LEU 211 CO -0.04 -1.18 0.62 -0.83 0.23 0.00 0.00 176.35 175.15 1pwz s GLY 212 N -4.16 2.43 0.26 -3.19 0.00 0.14 -4.85 107.32 97.95 1pwz s GLY 212 Ca 0.57 -0.07 -0.00 0.00 0.00 0.00 0.00 44.72 45.22 1pwz s GLY 212 CO 0.53 0.19 0.45 -0.51 0.00 0.00 0.00 173.10 173.76 1pwz s THR 213 N -1.64 5.16 0.26 0.90 -4.23 -1.26 -0.76 115.64 114.07 1pwz s THR 213 Ca 0.44 -0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.51 1pwz s THR 213 Cb -0.14 -3.78 0.26 0.00 1.34 0.00 0.00 72.50 70.19 1pwz s THR 213 CO 0.20 -0.31 1.93 1.56 -0.54 0.00 0.00 174.62 177.46 1pwz h GLN 214 N 1.56 1.25 -0.98 3.99 1.08 -1.97 -1.97 115.11 118.06 1pwz h GLN 214 Ca -0.49 -0.08 0.05 0.00 -1.45 0.00 0.00 58.65 56.69 1pwz h GLN 214 Cb 1.20 -0.28 -0.06 0.00 -0.05 0.00 0.00 27.48 28.29 1pwz h GLN 214 CO 0.65 0.83 0.64 0.87 -0.95 0.00 0.00 178.83 180.87 1pwz h LYS 215 N 1.28 1.16 -0.55 1.46 6.56 -1.94 0.67 116.57 125.21 1pwz h LYS 215 Ca 0.37 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.86 1pwz h LYS 215 Cb -0.09 -0.26 -0.02 0.00 -0.57 0.00 0.00 32.23 31.28 1pwz h LYS 215 CO -0.09 0.77 0.23 0.93 -2.06 0.00 0.00 179.45 179.22 1pwz h GLU 216 N 1.19 0.81 -0.14 3.15 5.08 -1.76 0.98 114.58 123.89 1pwz h GLU 216 Ca 0.41 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1pwz h GLU 216 Cb 0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1pwz h GLU 216 CO -0.14 0.70 0.06 1.25 -1.00 0.00 0.00 179.01 179.88 1pwz h LEU 217 N 0.74 0.19 -0.69 1.33 7.12 -1.11 -2.58 115.31 120.32 1pwz h LEU 217 Ca 0.18 -0.15 0.02 0.00 0.13 0.00 0.00 57.88 58.06 1pwz h LEU 217 Cb 0.18 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.22 1pwz h LEU 217 CO -0.02 0.29 0.44 1.23 -0.13 0.00 0.00 178.44 180.26 1pwz h GLY 218 N 0.09 0.98 1.01 3.75 0.00 -0.61 -1.48 103.07 106.81 1pwz h GLY 218 Ca 0.05 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.10 1pwz h GLY 218 CO -0.00 0.32 0.49 0.83 0.00 0.00 0.00 176.54 178.18 1pwz h GLU 219 N 0.89 0.77 -0.07 4.80 4.39 -0.68 0.17 114.58 124.84 1pwz h GLU 219 Ca 0.26 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 1pwz h GLU 219 Cb -0.05 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.42 1pwz h GLU 219 CO -0.08 0.51 -0.12 1.25 -1.16 0.00 0.00 179.01 179.42 1pwz h LEU 220 N 0.79 0.22 -0.40 1.33 5.85 -0.92 -1.93 115.31 120.26 1pwz h LEU 220 Ca 0.32 -0.54 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1pwz h LEU 220 Cb 0.25 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1pwz h LEU 220 CO -0.11 0.72 0.26 0.58 -0.34 0.00 0.00 178.44 179.55 1pwz h VAL 221 N -0.27 1.08 -0.26 1.05 2.07 -0.69 0.69 116.25 119.93 1pwz h VAL 221 Ca 0.01 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1pwz h VAL 221 Cb 0.68 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1pwz h VAL 221 CO 0.03 0.10 -0.11 0.00 0.02 0.00 0.00 177.57 177.60 1pwz h ALA 222 N 1.16 1.34 -0.08 1.67 0.00 -0.74 -0.11 119.26 122.49 1pwz h ALA 222 Ca 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1pwz h ALA 222 Cb -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1pwz h ALA 222 CO -0.04 0.45 -0.07 0.35 0.00 0.00 0.00 179.25 179.93 1pwz h PHE 223 N 0.40 0.23 -0.40 0.00 3.57 -0.79 -2.24 116.94 117.70 1pwz h PHE 223 Ca 0.08 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1pwz h PHE 223 Cb 0.44 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1pwz h PHE 223 CO 0.01 0.62 0.08 -0.07 -2.23 0.00 0.00 178.31 176.72 1pwz h LEU 224 N -0.23 0.62 0.00 0.59 3.38 -0.70 -2.74 115.31 116.23 1pwz h LEU 224 Ca 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1pwz h LEU 224 Cb 0.58 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1pwz h LEU 224 CO 0.02 0.71 0.00 0.00 0.09 0.00 0.00 178.44 179.26 1pwz n ALA 225 N -2.36 2.31 0.62 1.53 0.00 -0.07 -3.11 120.51 119.43 1pwz n ALA 225 Ca -0.01 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.43 1pwz n ALA 225 Cb 0.22 -1.39 0.29 0.00 0.00 0.00 0.00 19.45 18.58 1pwz n ALA 225 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pwz n SER 226 N -1.13 0.73 0.00 0.00 3.41 -0.85 -4.92 113.62 110.87 1pwz n SER 226 Ca 0.15 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1pwz n SER 226 Cb 0.13 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1pwz n SER 226 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pwz n GLY 227 N 1.33 0.43 0.19 5.00 0.00 -1.18 -4.92 105.19 106.04 1pwz n GLY 227 Ca 0.04 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.84 1.61 0.02 -1.82 -3.39 113.55 109.13 1pwz h SER 228 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1pwz h SER 228 Cb 0.00 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.25 1pwz h SER 228 CO 0.00 0.22 -0.85 0.00 -1.14 0.00 0.00 176.83 175.06 1pwz h ASP 230 N 2.78 0.00 0.07 0.00 3.32 -1.89 -2.58 116.42 118.12 1pwz h ASP 230 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1pwz h ASP 230 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1pwz h ASP 230 CO 0.29 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.82 1pwz n TYR 231 N -3.43 0.00 1.64 4.55 -0.00 -1.26 -1.10 117.16 117.56 1pwz n TYR 231 Ca -0.03 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 58.02 1pwz n TYR 231 Cb 0.08 -0.37 0.64 0.00 -0.00 0.00 0.00 39.34 39.70 1pwz n TYR 231 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1pwz n LEU 232 N -1.37 1.07 -4.46 2.98 4.77 -0.97 -4.97 117.00 114.06 1pwz n LEU 232 Ca 0.01 -0.36 -0.49 0.00 -0.03 0.00 0.00 56.01 55.14 1pwz n LEU 232 Cb 0.03 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1pwz n LEU 232 CO 0.02 0.18 0.23 1.07 -1.33 0.00 0.00 177.39 177.57 1pwz n THR 233 N -0.16 1.60 -0.41 -5.08 5.66 -0.26 -1.84 114.28 113.79 1pwz n THR 233 Ca 0.20 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1pwz n THR 233 Cb 0.29 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 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 1.81 0.97 3.76 1.09 0.00 0.18 -4.92 105.19 108.08 1pwz n GLY 234 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.46 4.62 -0.23 1.61 2.00 -0.76 -4.58 119.66 121.84 1pwz s GLN 235 Ca 0.00 1.57 -0.06 0.00 -2.00 0.00 0.00 55.36 54.86 1pwz s GLN 235 Cb 0.00 -3.03 -0.03 0.00 0.80 0.00 0.00 33.01 30.75 1pwz s GLN 235 CO 0.00 0.26 0.04 0.08 -0.50 0.00 0.00 175.29 175.17 1pwz s VAL 236 N -1.34 4.13 -0.25 1.34 1.01 -1.26 -1.66 120.40 122.38 1pwz s VAL 236 Ca 0.47 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1pwz s VAL 236 Cb -0.26 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1pwz s VAL 236 CO 0.33 0.37 0.18 -0.36 0.00 0.00 0.00 175.10 175.62 1pwz s PHE 237 N 1.45 3.29 -0.57 5.22 0.08 0.23 -4.95 117.98 122.72 1pwz s PHE 237 Ca 0.05 0.21 -0.20 0.00 0.12 0.00 0.00 56.93 57.12 1pwz s PHE 237 Cb -0.15 -2.31 0.08 0.00 -0.57 0.00 0.00 43.02 40.07 1pwz s PHE 237 CO 0.02 0.00 0.75 -1.58 -0.10 0.00 0.00 175.22 174.31 1pwz s TRP 238 N 1.26 2.93 -1.18 0.36 0.52 -1.26 0.82 118.94 122.39 1pwz s TRP 238 Ca 0.08 -0.65 -0.11 0.00 0.02 0.00 0.00 56.10 55.43 1pwz s TRP 238 Cb -0.14 -3.92 0.21 0.00 -1.15 0.00 0.00 33.47 28.48 1pwz s TRP 238 CO 0.06 -1.28 1.38 1.28 0.02 0.00 0.00 176.95 178.41 1pwz n LEU 239 N 6.65 5.53 -1.99 2.99 4.77 -0.73 -4.70 117.00 129.52 1pwz n LEU 239 Ca -0.06 -4.71 0.02 0.00 -0.03 0.00 0.00 56.01 51.22 1pwz n LEU 239 Cb 0.44 -1.54 0.03 0.00 -2.33 0.00 0.00 43.42 40.02 1pwz n LEU 239 CO 0.59 1.05 0.08 0.00 -1.33 0.00 0.00 177.39 177.77 1pwz n ALA 240 N 4.26 2.55 -3.82 -1.18 0.00 -1.26 -2.03 120.51 119.02 1pwz n ALA 240 Ca 0.32 -2.33 -0.30 0.00 0.00 0.00 0.00 53.44 51.14 1pwz n ALA 240 Cb 0.40 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.01 -0.39 1.71 0.00 0.00 -1.26 0.92 105.19 106.15 1pwz n GLY 241 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.88 0.91 3.76 -0.02 0.00 -1.26 0.20 105.19 107.91 1pwz n GLY 242 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1pwz n GLY 242 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pwz s PHE 243 N -3.06 2.58 0.15 1.61 2.19 0.26 -4.19 117.98 117.53 1pwz s PHE 243 Ca 0.00 1.37 -0.06 0.00 0.33 0.00 0.00 56.93 58.57 1pwz s PHE 243 Cb 0.00 -3.75 -0.06 0.00 -1.31 0.00 0.00 43.02 37.90 1pwz s PHE 243 CO 0.00 -2.49 0.41 -1.25 1.83 0.00 0.00 175.22 173.72 1pwz s PRO 244 N -2.51 3.66 -0.29 10.12 0.04 -1.26 -4.90 135.00 139.86 1pwz s PRO 244 Ca 0.62 0.00 -0.17 0.00 0.04 0.00 0.00 61.00 61.50 1pwz s PRO 244 Cb -0.39 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1pwz s PRO 244 CO 0.50 0.44 0.45 -1.64 0.04 0.00 0.00 177.00 176.79 1pwz s MET 245 N -2.63 3.92 0.17 4.56 -1.94 -0.77 -4.98 119.30 117.62 1pwz s MET 245 Ca 0.42 0.06 -0.30 0.00 -1.71 0.00 0.00 55.69 54.16 1pwz s MET 245 Cb -0.12 -3.70 -0.07 0.00 2.01 0.00 0.00 34.83 32.95 1pwz s MET 245 CO 0.23 -0.40 1.00 0.42 -0.01 0.00 0.00 175.02 176.27 1pwz s ILE 246 N 2.22 4.17 0.18 2.53 -1.09 -1.26 -4.84 121.20 123.11 1pwz s ILE 246 Ca 0.18 1.91 -0.31 0.00 -2.23 0.00 0.00 60.65 60.20 1pwz s ILE 246 Cb -0.16 -4.22 -0.10 0.00 -1.58 0.00 0.00 42.46 36.41 1pwz s ILE 246 CO 0.11 0.35 1.48 -0.70 -1.23 0.00 0.00 174.94 174.94 1pwz s GLU 247 N -0.43 4.26 0.51 2.79 2.12 -1.26 -5.01 118.70 121.69 1pwz s GLU 247 Ca 0.46 2.27 0.01 0.00 0.36 0.00 0.00 54.97 58.07 1pwz s GLU 247 Cb -0.26 -3.16 0.02 0.00 0.26 0.00 0.00 34.13 30.99 1pwz s GLU 247 CO 0.32 -0.50 0.74 1.03 -0.54 0.00 0.00 175.26 176.31 1pwz s ARG 248 N 0.60 2.75 0.57 4.30 0.52 -1.26 -5.06 118.95 121.37 1pwz s ARG 248 Ca 0.65 -0.65 -0.18 0.00 -0.52 0.00 0.00 55.73 55.02 1pwz s ARG 248 Cb -0.41 -2.51 -0.07 0.00 0.52 0.00 0.00 34.95 32.47 1pwz s ARG 248 CO 0.35 -0.55 0.70 0.91 0.02 0.00 0.00 175.30 176.74 1pwz n TRP 249 N -2.25 -0.06 -1.67 -0.53 8.01 -1.26 -4.85 117.44 114.83 1pwz n TRP 249 Ca 0.05 0.45 -0.45 0.00 -1.31 0.00 0.00 57.50 56.24 1pwz n TRP 249 Cb 0.59 -2.03 -0.02 0.00 -2.01 0.00 0.00 31.31 27.83 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 -0.41 1.98 0.00 -0.99 -0.02 -1.26 -1.88 135.00 132.42 1pwz n PRO 250 Ca 0.12 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1pwz n PRO 250 Cb 0.47 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 1.97 3.48 3.76 -1.23 0.00 -1.26 -5.06 105.19 106.86 1pwz n GLY 251 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.98 4.29 0.00 1.61 -1.94 -0.79 -5.24 119.30 116.25 1pwz s MET 252 Ca 0.00 0.65 0.10 0.00 -1.71 0.00 0.00 55.69 54.73 1pwz s MET 252 Cb 0.00 -3.35 0.58 0.00 2.01 0.00 0.00 34.83 34.06 1pwz s MET 252 CO 0.00 0.34 1.02 -0.35 -0.01 0.00 0.00 175.02 176.03