#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwx s THR 3 N 0.00 5.46 0.06 6.66 2.01 -1.26 -2.43 115.64 126.14 1pwx s THR 3 Ca 0.00 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.11 1pwx s THR 3 Cb 0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1pwx s THR 3 CO 0.00 0.48 -0.14 0.00 -0.69 0.00 0.00 174.62 174.27 1pwx s ALA 4 N -1.17 1.18 0.05 7.40 0.00 0.90 -0.61 121.76 129.52 1pwx s ALA 4 Ca 0.21 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.29 1pwx s ALA 4 Cb -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1pwx s ALA 4 CO 0.11 0.18 -0.21 0.42 0.00 0.00 0.00 175.76 176.27 1pwx s ILE 5 N -1.16 2.58 -0.24 0.00 1.09 -0.44 0.90 121.20 123.93 1pwx s ILE 5 Ca -0.01 -1.29 -0.04 0.00 -1.10 0.00 0.00 60.65 58.22 1pwx s ILE 5 Cb -0.09 -2.07 0.10 0.00 -1.06 0.00 0.00 42.46 39.33 1pwx s ILE 5 CO 0.02 0.32 0.17 -0.69 -0.10 0.00 0.00 174.94 174.67 1pwx s VAL 6 N -0.91 -0.20 0.91 2.92 1.01 -0.90 -2.11 120.40 121.12 1pwx s VAL 6 Ca 0.14 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 1pwx s VAL 6 Cb -0.10 -0.81 0.13 0.00 0.00 0.00 0.00 36.38 35.60 1pwx s VAL 6 CO 0.05 -0.45 1.11 0.42 0.00 0.00 0.00 175.10 176.23 1pwx s THR 7 N 2.21 2.32 -0.99 3.92 -4.23 -1.15 -2.12 115.64 115.60 1pwx s THR 7 Ca 0.07 0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.62 1pwx s THR 7 Cb -0.16 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 70.99 1pwx s THR 7 CO -0.24 -0.14 0.17 0.59 -0.54 0.00 0.00 174.62 174.47 1pwx n ASN 8 N -3.80 -0.25 -0.11 3.99 3.02 -1.04 -4.39 115.26 112.67 1pwx n ASN 8 Ca 0.06 -0.73 0.26 0.00 -0.03 0.00 0.00 54.58 54.14 1pwx n ASN 8 Cb 0.58 -0.92 0.72 0.00 -0.61 0.00 0.00 39.78 39.54 1pwx n ASN 8 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1pwx h VAL 9 N -0.56 0.55 -0.01 2.41 3.04 -1.24 0.37 116.25 120.81 1pwx h VAL 9 Ca -0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1pwx h VAL 9 Cb 0.81 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1pwx h VAL 9 CO 0.46 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 177.31 1pwx n LYS 10 N -4.19 1.13 -3.94 4.17 5.02 -1.26 -2.08 118.16 117.01 1pwx n LYS 10 Ca 0.16 -0.19 -0.09 0.00 -2.02 0.00 0.00 58.31 56.16 1pwx n LYS 10 Cb 0.87 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 34.34 1pwx n LYS 10 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1pwx s HIS 11 N -1.99 0.23 0.00 2.13 3.76 0.12 -4.60 115.29 114.94 1pwx s HIS 11 Ca 0.41 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1pwx s HIS 11 Cb 0.19 -0.16 0.00 0.00 1.11 0.00 0.00 32.58 33.72 1pwx s HIS 11 CO 0.32 -0.34 0.00 0.34 -0.85 0.00 0.00 174.74 174.21 1pwx n PHE 12 N 0.85 0.00 1.15 1.40 -0.00 -0.81 -2.09 117.46 117.95 1pwx n PHE 12 Ca -0.19 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.38 1pwx n PHE 12 Cb 0.58 0.00 0.21 0.00 -0.00 0.00 0.00 39.48 40.27 1pwx n PHE 12 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pwx n GLY 13 N 0.00 -0.06 0.33 7.13 0.00 -1.26 -4.64 105.19 106.68 1pwx n GLY 13 Ca 0.00 -0.54 0.23 0.00 0.00 0.00 0.00 46.02 45.71 1pwx n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pwx h GLY 14 N 4.86 1.85 0.01 -0.02 0.00 -1.61 -1.48 103.07 106.66 1pwx h GLY 14 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1pwx h GLY 14 CO 0.00 -0.59 -0.00 -0.33 0.00 0.00 0.00 176.54 175.61 1pwx h MET 15 N 0.12 -0.00 -0.97 4.80 2.86 -1.68 -2.45 114.93 117.61 1pwx h MET 15 Ca 0.72 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 58.62 1pwx h MET 15 Cb 1.69 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 33.22 1pwx h MET 15 CO -0.74 0.47 0.51 0.78 1.06 0.00 0.00 176.91 178.98 1pwx h GLY 16 N -1.00 1.82 0.81 8.32 0.00 -1.70 0.23 103.07 111.55 1pwx h GLY 16 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1pwx h GLY 16 CO 0.00 -0.33 -0.31 1.76 0.00 0.00 0.00 176.54 177.66 1pwx h SER 17 N 0.43 -0.81 -0.31 0.19 0.02 -1.31 -0.76 113.55 111.01 1pwx h SER 17 Ca 0.64 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.61 1pwx h SER 17 Cb 1.30 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.07 1pwx h SER 17 CO -0.54 -0.48 0.04 0.00 -1.14 0.00 0.00 176.83 174.71 1pwx h ALA 18 N -0.29 0.41 0.04 3.77 0.00 -0.58 -2.58 119.26 120.04 1pwx h ALA 18 Ca -0.05 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1pwx h ALA 18 Cb 0.63 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1pwx h ALA 18 CO 0.03 0.11 -0.15 -0.07 0.00 0.00 0.00 179.25 179.17 1pwx h LEU 19 N 0.34 -0.42 -0.01 0.00 4.07 -0.57 -1.65 115.31 117.06 1pwx h LEU 19 Ca 0.09 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 1pwx h LEU 19 Cb 0.36 0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 1pwx h LEU 19 CO 0.01 -0.21 -0.00 -0.09 -1.08 0.00 0.00 178.44 177.06 1pwx h ARG 20 N -0.27 0.02 -0.30 1.13 9.65 -1.19 -2.44 114.38 120.99 1pwx h ARG 20 Ca 0.04 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.96 1pwx h ARG 20 Cb 0.31 -0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.81 1pwx h ARG 20 CO -0.11 0.43 -0.47 1.25 2.80 0.00 0.00 179.97 183.86 1pwx h LEU 21 N -0.38 -1.53 0.15 3.80 5.85 -1.48 -2.32 115.31 119.40 1pwx h LEU 21 Ca 0.00 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1pwx h LEU 21 Cb 0.42 0.64 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1pwx h LEU 21 CO 0.00 -0.41 -0.32 -1.28 -0.34 0.00 0.00 178.44 176.09 1pwx h SER 22 N -0.42 -0.92 -0.79 1.25 0.87 -1.34 -0.75 113.55 111.45 1pwx h SER 22 Ca 0.10 0.10 0.23 0.00 -1.23 0.00 0.00 61.79 60.99 1pwx h SER 22 Cb 0.61 0.34 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 1pwx h SER 22 CO -0.52 -0.42 1.00 -0.33 -0.53 0.00 0.00 176.83 176.04 1pwx h GLU 23 N -0.56 0.00 0.00 2.24 5.08 -0.91 1.95 114.58 122.37 1pwx h GLU 23 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1pwx h GLU 23 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1pwx h GLU 23 CO -0.17 0.00 -0.07 0.00 -1.00 0.00 0.00 179.01 177.76 1pwx n ALA 24 N -2.20 2.49 0.00 3.43 0.00 -0.30 -4.90 120.51 119.03 1pwx n ALA 24 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1pwx n ALA 24 Cb 1.25 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1pwx n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pwx n GLY 25 N 1.47 0.78 3.74 0.00 0.00 0.66 -5.09 105.19 106.75 1pwx n GLY 25 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1pwx n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pwx s HIS 26 N -2.00 3.87 0.13 1.61 3.76 -1.16 -4.77 115.29 116.73 1pwx s HIS 26 Ca 0.00 1.84 -0.30 0.00 -0.15 0.00 0.00 55.06 56.45 1pwx s HIS 26 Cb 0.00 -3.03 -0.06 0.00 1.11 0.00 0.00 32.58 30.59 1pwx s HIS 26 CO 0.00 0.27 0.99 0.99 -0.85 0.00 0.00 174.74 176.15 1pwx s THR 27 N -0.41 4.34 -0.26 1.30 2.01 -1.02 -4.04 115.64 117.56 1pwx s THR 27 Ca 0.45 1.97 0.01 0.00 0.31 0.00 0.00 61.69 64.43 1pwx s THR 27 Cb -0.24 -4.26 0.07 0.00 0.01 0.00 0.00 72.50 68.08 1pwx s THR 27 CO 0.31 0.32 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.83 1pwx s VAL 28 N -0.10 1.58 -0.20 3.82 1.01 -1.26 -0.07 120.40 125.19 1pwx s VAL 28 Ca 0.47 -1.39 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1pwx s VAL 28 Cb -0.25 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1pwx s VAL 28 CO 0.31 -0.21 0.69 0.00 0.00 0.00 0.00 175.10 175.89 1pwx s ALA 29 N 1.35 3.55 0.39 5.51 0.00 0.26 -0.63 121.76 132.19 1pwx s ALA 29 Ca -0.03 -0.20 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1pwx s ALA 29 Cb -0.19 -3.07 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 1pwx s ALA 29 CO -0.08 -0.64 0.48 0.00 0.00 0.00 0.00 175.76 175.52 1pwx s HIS 31 N -2.33 0.55 0.00 0.00 5.65 -0.90 -1.84 115.29 116.42 1pwx s HIS 31 Ca 0.50 -0.68 0.00 0.00 0.25 0.00 0.00 55.06 55.13 1pwx s HIS 31 Cb -0.08 -0.35 0.00 0.00 -1.18 0.00 0.00 32.58 30.97 1pwx s HIS 31 CO 0.31 -0.18 0.00 -3.47 -0.65 0.00 0.00 174.74 170.75 1pwx n ASP 32 N 1.03 0.00 -0.36 9.88 -0.08 -1.26 -1.15 116.55 124.60 1pwx n ASP 32 Ca -0.20 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.13 1pwx n ASP 32 Cb 0.57 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.15 1pwx n ASP 32 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1pwx h GLU 33 N 0.00 -0.00 -0.63 -0.67 -0.00 -1.96 0.21 114.58 111.53 1pwx h GLU 33 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.32 1pwx h GLU 33 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.72 1pwx h GLU 33 CO 0.00 -0.00 0.25 0.66 -0.00 0.00 0.00 179.01 179.92 1pwx h SER 34 N -0.00 0.84 0.00 3.06 4.64 -1.96 -2.07 113.55 118.06 1pwx h SER 34 Ca 0.46 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1pwx h SER 34 Cb 0.71 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1pwx h SER 34 CO -1.02 0.75 0.67 -0.26 -0.87 0.00 0.00 176.83 176.11 1pwx h PHE 35 N 0.91 0.00 0.00 4.77 0.05 -1.26 1.25 116.94 122.65 1pwx h PHE 35 Ca 0.21 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.99 1pwx h PHE 35 Cb 0.18 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.13 1pwx h PHE 35 CO 0.01 0.00 -0.07 0.87 -0.18 0.00 0.00 178.31 178.95 1pwx h LYS 36 N 0.00 0.00 -5.38 1.51 1.79 -1.47 -3.39 116.57 109.63 1pwx h LYS 36 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 1pwx h LYS 36 Cb 1.34 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.89 1pwx h LYS 36 CO 0.00 0.07 -0.49 -0.65 -1.08 0.00 0.00 179.45 177.30 1pwx s GLN 37 N -4.37 3.97 0.08 3.15 -0.21 0.43 -5.03 119.66 117.68 1pwx s GLN 37 Ca -0.04 -0.20 -0.26 0.00 0.02 0.00 0.00 55.36 54.88 1pwx s GLN 37 Cb 0.14 -3.34 -0.10 0.00 1.00 0.00 0.00 33.01 30.70 1pwx s GLN 37 CO 0.57 0.43 1.42 1.57 -2.12 0.00 0.00 175.29 177.15 1pwx h LYS 38 N 6.20 -0.46 -0.91 2.91 5.09 -1.84 -0.02 116.57 127.54 1pwx h LYS 38 Ca -0.45 0.03 0.21 0.00 0.09 0.00 0.00 60.65 60.53 1pwx h LYS 38 Cb 1.17 0.11 -0.12 0.00 0.10 0.00 0.00 32.23 33.49 1pwx h LYS 38 CO 0.71 -0.31 0.45 0.38 -2.09 0.00 0.00 179.45 178.59 1pwx h ASP 39 N -0.48 0.45 0.63 7.07 3.04 -1.95 0.17 116.42 125.36 1pwx h ASP 39 Ca 0.01 0.14 -0.03 0.00 -3.24 0.00 0.00 57.03 53.91 1pwx h ASP 39 Cb 0.53 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 1pwx h ASP 39 CO -0.29 0.07 -0.36 -0.33 -2.04 0.00 0.00 179.24 176.29 1pwx h GLU 40 N 0.49 -0.89 -0.58 4.15 4.39 -1.52 -2.21 114.58 118.42 1pwx h GLU 40 Ca 0.56 0.06 0.04 0.00 0.34 0.00 0.00 59.36 60.36 1pwx h GLU 40 Cb 1.01 0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.82 1pwx h GLU 40 CO -0.48 -0.59 0.33 1.25 -1.16 0.00 0.00 179.01 178.36 1pwx h LEU 41 N -0.92 0.51 -0.41 1.33 6.46 -0.55 -3.02 115.31 118.72 1pwx h LEU 41 Ca -0.09 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1pwx h LEU 41 Cb 0.73 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 1pwx h LEU 41 CO 0.10 0.35 0.21 -0.33 -0.62 0.00 0.00 178.44 178.15 1pwx h GLU 42 N 0.64 0.58 0.00 1.25 5.08 -0.66 0.19 114.58 121.67 1pwx h GLU 42 Ca 0.24 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1pwx h GLU 42 Cb 0.08 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1pwx h GLU 42 CO -0.13 0.49 -0.05 0.00 -1.00 0.00 0.00 179.01 178.32 1pwx h ALA 43 N 1.06 1.84 -0.03 3.43 0.00 -1.38 1.21 119.26 125.40 1pwx h ALA 43 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1pwx h ALA 43 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pwx h ALA 43 CO -0.02 0.07 -0.06 0.35 0.00 0.00 0.00 179.25 179.58 1pwx h PHE 44 N 0.00 0.12 -0.45 0.00 3.57 -1.19 3.10 116.94 122.07 1pwx h PHE 44 Ca -0.00 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1pwx h PHE 44 Cb 0.10 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1pwx h PHE 44 CO 0.00 0.65 0.10 0.00 -2.23 0.00 0.00 178.31 176.84 1pwx h ALA 45 N 0.44 1.33 0.00 2.41 0.00 0.05 0.75 119.26 124.25 1pwx h ALA 45 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1pwx h ALA 45 Cb 0.65 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pwx h ALA 45 CO 0.01 0.47 -0.43 1.05 0.00 0.00 0.00 179.25 180.35 1pwx h GLU 46 N 0.66 0.29 -0.17 0.00 -0.00 0.17 -2.79 114.58 112.73 1pwx h GLU 46 Ca 0.15 -0.31 -0.04 0.00 -0.00 0.00 0.00 59.36 59.16 1pwx h GLU 46 Cb 0.26 0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.09 1pwx h GLU 46 CO -0.00 1.02 -0.03 1.15 -0.00 0.00 0.00 179.01 181.15 1pwx h THR 47 N -0.32 1.28 -3.35 -1.06 2.02 0.59 -3.34 112.91 108.74 1pwx h THR 47 Ca -0.06 -0.98 -0.71 0.00 0.77 0.00 0.00 66.41 65.44 1pwx h THR 47 Cb 1.18 1.58 -0.35 0.00 -1.74 0.00 0.00 68.15 68.82 1pwx h THR 47 CO 0.09 0.29 -0.08 -0.31 0.37 0.00 0.00 175.52 175.88 1pwx s TYR 48 N -4.79 3.89 0.36 3.16 1.51 0.26 -4.90 117.35 116.84 1pwx s TYR 48 Ca -0.14 -2.99 0.07 0.00 -1.01 0.00 0.00 57.07 53.00 1pwx s TYR 48 Cb 0.06 -3.28 0.68 0.00 -0.11 0.00 0.00 41.96 39.31 1pwx s TYR 48 CO 0.73 -0.76 1.87 -1.00 -1.11 0.00 0.00 175.55 175.29 1pwx h PRO 49 N 6.11 0.34 0.00 -1.71 0.13 -1.62 -2.55 132.00 132.71 1pwx h PRO 49 Ca 0.15 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1pwx h PRO 49 Cb 0.82 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1pwx h PRO 49 CO 0.85 0.47 -0.01 -0.56 -0.23 0.00 0.00 178.00 178.52 1pwx h GLN 50 N 0.32 0.00 -6.83 0.86 -0.00 -1.90 -3.44 115.11 104.11 1pwx h GLN 50 Ca 0.06 0.00 -0.47 0.00 -0.00 0.00 0.00 58.65 58.24 1pwx h GLN 50 Cb 0.41 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 27.93 1pwx h GLN 50 CO 0.02 0.01 0.01 -0.51 -0.00 0.00 0.00 178.83 178.36 1pwx s LEU 51 N -6.22 3.60 -0.59 0.06 1.02 -0.96 -4.68 118.68 110.90 1pwx s LEU 51 Ca 0.01 0.57 0.05 0.00 0.02 0.00 0.00 54.13 54.78 1pwx s LEU 51 Cb 0.09 -3.46 0.18 0.00 0.02 0.00 0.00 46.19 43.03 1pwx s LEU 51 CO 0.54 -0.70 0.47 0.29 0.02 0.00 0.00 176.35 176.97 1pwx n LYS 52 N -2.20 1.30 -2.33 1.70 4.76 0.20 -4.90 118.16 116.68 1pwx n LYS 52 Ca 0.01 -4.01 -0.40 0.00 -2.87 0.00 0.00 58.31 51.03 1pwx n LYS 52 Cb 0.57 -2.03 -0.03 0.00 -1.84 0.00 0.00 35.03 31.69 1pwx n LYS 52 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1pwx s PRO 53 N -1.04 4.50 0.09 1.97 0.04 -1.26 -1.08 135.00 138.21 1pwx s PRO 53 Ca 0.29 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.34 1pwx s PRO 53 Cb 0.01 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 1pwx s PRO 53 CO -0.16 0.03 -0.02 -1.64 0.04 0.00 0.00 177.00 175.25 1pwx s MET 54 N -1.63 2.50 0.28 4.56 -1.94 -0.76 -4.83 119.30 117.48 1pwx s MET 54 Ca 0.47 -0.85 0.18 0.00 -1.71 0.00 0.00 55.69 53.78 1pwx s MET 54 Cb -0.35 -2.51 0.10 0.00 2.01 0.00 0.00 34.83 34.07 1pwx s MET 54 CO 0.45 0.54 1.36 0.66 -0.01 0.00 0.00 175.02 178.02 1pwx h SER 55 N 3.54 0.00 -2.64 3.03 4.64 -1.87 -3.42 113.55 116.81 1pwx h SER 55 Ca -0.48 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.31 1pwx h SER 55 Cb 1.17 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.32 1pwx h SER 55 CO 0.58 0.35 0.98 -0.62 -0.87 0.00 0.00 176.83 177.25 1pwx n GLU 56 N -3.10 2.69 0.00 4.77 4.71 -1.26 -4.31 120.64 124.14 1pwx n GLU 56 Ca 0.01 0.97 0.00 0.00 -0.01 0.00 0.00 57.16 58.13 1pwx n GLU 56 Cb 0.68 -2.80 0.00 0.00 -1.01 0.00 0.00 31.44 28.31 1pwx n GLU 56 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1pwx n GLN 57 N 3.78 0.35 -2.72 3.49 6.02 -1.26 -4.70 117.38 122.33 1pwx n GLN 57 Ca 0.16 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.77 1pwx n GLN 57 Cb 0.34 -0.99 -0.06 0.00 1.02 0.00 0.00 30.24 30.55 1pwx n GLN 57 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1pwx s GLU 58 N -1.96 4.57 0.11 -1.09 0.41 -1.26 -4.87 118.70 114.61 1pwx s GLU 58 Ca 0.00 1.41 -0.25 0.00 -0.41 0.00 0.00 54.97 55.72 1pwx s GLU 58 Cb 0.00 -2.85 -0.08 0.00 -1.78 0.00 0.00 34.13 29.42 1pwx s GLU 58 CO 0.00 0.25 1.67 -1.35 -0.49 0.00 0.00 175.26 175.33 1pwx h PRO 59 N 3.24 -0.30 -0.50 0.39 0.11 -1.95 0.61 132.00 133.60 1pwx h PRO 59 Ca -0.47 0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1pwx h PRO 59 Cb 1.20 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 1pwx h PRO 59 CO 0.65 -0.20 0.24 0.00 -0.21 0.00 0.00 178.00 178.48 1pwx h ALA 60 N 0.56 0.64 -0.55 -0.75 0.00 -1.92 -2.62 119.26 114.61 1pwx h ALA 60 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1pwx h ALA 60 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1pwx h ALA 60 CO -0.13 -0.12 0.28 1.49 0.00 0.00 0.00 179.25 180.77 1pwx h GLU 61 N 0.46 0.78 -0.23 0.00 4.81 -1.82 -3.31 114.58 115.28 1pwx h GLU 61 Ca 0.23 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1pwx h GLU 61 Cb 0.16 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1pwx h GLU 61 CO -0.18 0.62 0.13 1.25 -0.73 0.00 0.00 179.01 180.11 1pwx h LEU 62 N 0.74 0.22 0.61 1.64 5.85 0.60 -3.30 115.31 121.67 1pwx h LEU 62 Ca 0.19 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1pwx h LEU 62 Cb 0.08 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1pwx h LEU 62 CO -0.03 0.16 -0.44 0.40 -0.34 0.00 0.00 178.44 178.20 1pwx h ILE 63 N 0.28 0.12 -0.79 4.05 1.08 -1.61 -2.60 117.51 118.05 1pwx h ILE 63 Ca 0.09 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.72 1pwx h ILE 63 Cb -0.01 0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 33.81 1pwx h ILE 63 CO -0.04 0.00 0.53 -0.33 -0.69 0.00 0.00 178.15 177.62 1pwx h GLU 64 N -1.01 0.36 -0.29 2.37 3.07 -1.71 -0.68 114.58 116.70 1pwx h GLU 64 Ca -0.07 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.71 1pwx h GLU 64 Cb 0.84 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1pwx h GLU 64 CO 0.04 0.24 -0.03 0.00 -1.40 0.00 0.00 179.01 177.85 1pwx h ALA 65 N 1.64 0.40 0.36 3.43 0.00 -1.59 -0.86 119.26 122.64 1pwx h ALA 65 Ca 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1pwx h ALA 65 Cb 0.98 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1pwx h ALA 65 CO -0.12 0.18 -0.17 0.28 0.00 0.00 0.00 179.25 179.42 1pwx h VAL 66 N 0.32 0.61 -0.66 0.00 2.07 -0.92 -1.68 116.25 115.99 1pwx h VAL 66 Ca 0.08 -0.50 0.19 0.00 0.82 0.00 0.00 66.70 67.29 1pwx h VAL 66 Cb 0.49 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1pwx h VAL 66 CO 0.02 0.09 0.69 0.74 0.02 0.00 0.00 177.57 179.13 1pwx h THR 67 N -0.78 0.28 0.00 2.57 2.02 -1.18 0.23 112.91 116.04 1pwx h THR 67 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1pwx h THR 67 Cb 0.52 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1pwx h THR 67 CO 0.08 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 174.77 1pwx n SER 68 N -3.64 0.00 -0.25 4.18 7.64 -0.33 -1.57 113.62 119.64 1pwx n SER 68 Ca 0.14 0.50 0.11 0.00 1.01 0.00 0.00 58.87 60.62 1pwx n SER 68 Cb 0.92 -0.47 0.37 0.00 -1.01 0.00 0.00 64.21 64.03 1pwx n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pwx h ALA 69 N -2.00 1.81 -0.07 -0.43 0.00 -1.05 -2.92 119.26 114.59 1pwx h ALA 69 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pwx h ALA 69 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1pwx h ALA 69 CO 0.00 -0.02 -0.37 0.66 0.00 0.00 0.00 179.25 179.52 1pwx n TYR 70 N -4.54 0.22 0.00 0.00 4.01 0.79 -5.03 117.16 112.60 1pwx n TYR 70 Ca 0.16 -1.47 0.00 0.00 -0.16 0.00 0.00 57.90 56.43 1pwx n TYR 70 Cb 0.42 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1pwx n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pwx n GLY 71 N -1.14 0.44 3.67 2.72 0.00 -0.61 -4.77 105.19 105.50 1pwx n GLY 71 Ca 0.21 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1pwx n GLY 71 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pwx s GLN 72 N 0.00 2.11 -0.32 1.61 -2.07 -1.24 -4.50 119.66 115.25 1pwx s GLN 72 Ca 0.00 -1.58 0.03 0.00 -1.82 0.00 0.00 55.36 51.99 1pwx s GLN 72 Cb 0.00 0.55 0.09 0.00 -1.09 0.00 0.00 33.01 32.56 1pwx s GLN 72 CO 0.00 -0.94 0.03 0.08 -1.32 0.00 0.00 175.29 173.13 1pwx s VAL 73 N -2.61 2.00 -0.01 3.63 1.01 -1.26 -4.30 120.40 118.86 1pwx s VAL 73 Ca 0.22 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1pwx s VAL 73 Cb -0.03 -2.41 -0.26 0.00 0.00 0.00 0.00 36.38 33.68 1pwx s VAL 73 CO 0.15 -0.49 0.82 0.44 0.00 0.00 0.00 175.10 176.02 1pwx h ASP 74 N 7.73 0.29 -3.18 3.32 5.19 -1.23 -3.45 116.42 125.09 1pwx h ASP 74 Ca -0.09 -0.44 -0.55 0.00 -0.62 0.00 0.00 57.03 55.33 1pwx h ASP 74 Cb 1.03 -0.09 -0.36 0.00 0.18 0.00 0.00 39.33 40.08 1pwx h ASP 74 CO 0.50 1.37 -0.82 -0.69 -3.12 0.00 0.00 179.24 176.48 1pwx s VAL 75 N -2.62 1.24 -0.27 -1.35 1.01 -0.76 0.46 120.40 118.10 1pwx s VAL 75 Ca -0.09 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1pwx s VAL 75 Cb 0.07 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 1pwx s VAL 75 CO 0.84 0.40 0.06 -0.22 0.00 0.00 0.00 175.10 176.18 1pwx s LEU 76 N 1.53 3.62 -0.38 3.92 2.96 0.27 -1.33 118.68 129.27 1pwx s LEU 76 Ca 0.03 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 1pwx s LEU 76 Cb -0.13 -1.87 0.11 0.00 0.50 0.00 0.00 46.19 44.80 1pwx s LEU 76 CO -0.08 -0.13 0.14 -0.69 -1.32 0.00 0.00 176.35 174.27 1pwx s VAL 77 N 1.52 2.84 -0.44 1.68 1.01 -0.90 0.75 120.40 126.86 1pwx s VAL 77 Ca 0.04 -2.22 -0.25 0.00 0.00 0.00 0.00 61.98 59.55 1pwx s VAL 77 Cb -0.16 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1pwx s VAL 77 CO 0.02 -0.66 0.87 -0.55 0.00 0.00 0.00 175.10 174.78 1pwx s SER 78 N 1.37 6.49 -0.87 3.32 0.15 0.11 -2.92 113.70 121.35 1pwx s SER 78 Ca 0.10 0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.79 1pwx s SER 78 Cb -0.21 -2.43 0.22 0.00 -1.71 0.00 0.00 66.02 61.89 1pwx s SER 78 CO -0.06 -0.97 0.78 0.21 1.20 0.00 0.00 173.24 174.40 1pwx s ASN 79 N 2.17 6.30 -0.04 5.45 2.47 -1.26 -0.12 114.94 129.90 1pwx s ASN 79 Ca 0.35 -3.27 -0.25 0.00 0.42 0.00 0.00 52.86 50.10 1pwx s ASN 79 Cb -0.11 -2.03 -0.04 0.00 -1.45 0.00 0.00 41.25 37.62 1pwx s ASN 79 CO 0.24 -0.33 0.77 -1.81 -3.72 0.00 0.00 177.10 172.25 1pwx s ASP 80 N 0.88 7.10 0.34 -4.21 1.01 -1.24 -4.17 116.67 116.39 1pwx s ASP 80 Ca 0.24 1.32 0.05 0.00 0.71 0.00 0.00 52.55 54.87 1pwx s ASP 80 Cb -0.11 -2.45 -0.07 0.00 1.01 0.00 0.00 42.92 41.29 1pwx s ASP 80 CO -0.09 -0.15 0.02 0.27 0.21 0.00 0.00 175.17 175.44 1pwx s ILE 81 N 0.81 1.53 0.00 0.77 -4.36 -1.26 -4.89 121.20 113.79 1pwx s ILE 81 Ca 0.41 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1pwx s ILE 81 Cb -0.19 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.73 1pwx s ILE 81 CO 0.21 -0.05 0.00 0.33 0.24 0.00 0.00 174.94 175.66 1pwx n PHE 82 N -0.75 0.00 -1.74 1.37 -0.00 -1.26 -4.71 117.46 110.37 1pwx n PHE 82 Ca -0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.00 1pwx n PHE 82 Cb 0.66 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.12 1pwx n PHE 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1pwx n ALA 83 N 0.00 2.73 -1.77 3.13 0.00 -1.26 -4.96 120.51 118.38 1pwx n ALA 83 Ca 0.00 0.38 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 1pwx n ALA 83 Cb 0.00 -2.49 -0.05 0.00 0.00 0.00 0.00 19.45 16.91 1pwx n ALA 83 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pwx s PRO 84 N 0.01 4.52 -0.57 0.00 0.04 -1.26 -5.02 135.00 132.72 1pwx s PRO 84 Ca 0.67 1.58 0.04 0.00 0.04 0.00 0.00 61.00 63.34 1pwx s PRO 84 Cb -0.49 -2.93 0.17 0.00 0.04 0.00 0.00 34.50 31.29 1pwx s PRO 84 CO 0.43 0.16 0.42 -2.00 0.04 0.00 0.00 177.00 176.06 1pwx s GLU 85 N -1.84 1.75 0.99 4.56 -6.30 -1.26 -5.12 118.70 111.49 1pwx s GLU 85 Ca 0.49 -2.78 -0.16 0.00 -2.50 0.00 0.00 54.97 50.02 1pwx s GLU 85 Cb -0.26 -2.51 -0.03 0.00 0.00 0.00 0.00 34.13 31.33 1pwx s GLU 85 CO 0.32 -1.33 -0.14 1.19 0.02 0.00 0.00 175.26 175.33 1pwx n PHE 86 N 2.37 -2.65 0.00 5.30 3.72 -1.26 -4.95 117.46 119.99 1pwx n PHE 86 Ca 0.24 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 1pwx n PHE 86 Cb 0.41 -1.62 0.00 0.00 -0.94 0.00 0.00 39.48 37.32 1pwx n PHE 86 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1pwx n GLN 87 N -0.16 0.00 -1.34 -1.08 -0.06 -0.53 -5.02 117.38 109.18 1pwx n GLN 87 Ca 0.03 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.68 1pwx n GLN 87 Cb 0.57 0.00 0.10 0.00 -4.06 0.00 0.00 30.24 26.85 1pwx n GLN 87 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1pwx n PRO 88 N -1.31 0.52 -0.22 3.69 -0.02 -1.26 -4.61 135.00 131.79 1pwx n PRO 88 Ca 0.00 0.24 0.19 0.00 -2.02 0.00 0.00 63.50 61.91 1pwx n PRO 88 Cb 0.00 -2.40 0.53 0.00 -0.02 0.00 0.00 33.50 31.60 1pwx n PRO 88 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1pwx h ILE 89 N -0.35 0.70 0.00 4.25 -0.00 -1.96 -1.87 117.51 118.28 1pwx h ILE 89 Ca -0.48 -0.13 0.00 0.00 -0.00 0.00 0.00 64.86 64.25 1pwx h ILE 89 Cb 1.32 0.29 0.00 0.00 -0.00 0.00 0.00 36.82 38.43 1pwx h ILE 89 CO 0.48 0.07 -0.19 -2.24 -0.00 0.00 0.00 178.15 176.27 1pwx h ASP 90 N 0.38 0.00 1.27 2.19 2.03 -2.04 -3.02 116.42 117.24 1pwx h ASP 90 Ca 0.44 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 1pwx h ASP 90 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1pwx h ASP 90 CO -0.15 0.03 -0.48 0.11 -1.03 0.00 0.00 179.24 177.72 1pwx h LYS 91 N 0.00 0.00 -7.04 4.15 1.57 -1.69 -3.46 116.57 110.11 1pwx h LYS 91 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1pwx h LYS 91 Cb 0.79 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.17 1pwx h LYS 91 CO 0.00 0.00 0.48 0.71 -0.57 0.00 0.00 179.45 180.07 1pwx s TYR 92 N -3.22 2.71 -0.13 -1.35 4.12 -1.13 -5.01 117.35 113.34 1pwx s TYR 92 Ca 0.05 1.52 -0.07 0.00 0.02 0.00 0.00 57.07 58.59 1pwx s TYR 92 Cb 0.10 -3.41 -0.04 0.00 -1.52 0.00 0.00 41.96 37.09 1pwx s TYR 92 CO 0.71 -1.74 0.11 0.00 0.02 0.00 0.00 175.55 174.65 1pwx s ALA 93 N -1.58 3.74 0.58 3.71 0.00 -1.26 -4.96 121.76 121.99 1pwx s ALA 93 Ca 0.68 -0.68 0.29 0.00 0.00 0.00 0.00 51.96 52.25 1pwx s ALA 93 Cb -0.29 -1.93 1.48 0.00 0.00 0.00 0.00 23.12 22.38 1pwx s ALA 93 CO 0.34 0.52 1.91 0.28 0.00 0.00 0.00 175.76 178.81 1pwx h VAL 94 N 4.16 0.41 0.00 0.00 2.07 -1.96 1.26 116.25 122.19 1pwx h VAL 94 Ca -0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1pwx h VAL 94 Cb 1.21 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1pwx h VAL 94 CO 0.61 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.87 1pwx h GLU 95 N 0.00 0.00 -0.00 1.57 3.07 -1.98 -1.87 114.58 115.37 1pwx h GLU 95 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1pwx h GLU 95 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1pwx h GLU 95 CO -0.00 0.00 -0.17 -0.25 -1.40 0.00 0.00 179.01 177.18 1pwx n ASP 96 N -2.62 0.21 -0.10 1.42 9.92 0.43 -0.89 116.55 124.92 1pwx n ASP 96 Ca 0.02 0.14 -0.12 0.00 -0.53 0.00 0.00 54.79 54.30 1pwx n ASP 96 Cb 0.29 -0.21 -0.11 0.00 -0.64 0.00 0.00 41.12 40.44 1pwx n ASP 96 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pwx n TYR 97 N -1.44 0.00 -0.07 1.24 9.36 -0.90 -3.56 117.16 121.79 1pwx n TYR 97 Ca 0.07 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.18 1pwx n TYR 97 Cb 0.33 -0.82 -0.05 0.00 -0.63 0.00 0.00 39.34 38.17 1pwx n TYR 97 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pwx h ARG 98 N 0.00 0.36 -0.85 2.98 3.08 -1.37 -0.63 114.38 117.95 1pwx h ARG 98 Ca -0.46 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 59.55 1pwx h ARG 98 Cb 1.86 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.82 1pwx h ARG 98 CO -0.03 0.53 0.52 0.78 -1.07 0.00 0.00 179.97 180.70 1pwx h GLY 99 N 0.13 1.28 0.71 0.04 0.00 -1.21 0.10 103.07 104.12 1pwx h GLY 99 Ca 0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1pwx h GLY 99 CO 0.01 0.24 -0.03 0.00 0.00 0.00 0.00 176.54 176.76 1pwx h ALA 100 N 1.41 -0.09 -0.43 3.60 0.00 -1.55 -3.15 119.26 119.05 1pwx h ALA 100 Ca 0.37 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1pwx h ALA 100 Cb 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pwx h ALA 100 CO -0.18 -0.40 0.05 0.28 0.00 0.00 0.00 179.25 178.99 1pwx h VAL 101 N -0.38 1.25 -0.51 0.00 2.07 -0.85 -1.99 116.25 115.84 1pwx h VAL 101 Ca -0.01 -0.93 0.10 0.00 0.82 0.00 0.00 66.70 66.68 1pwx h VAL 101 Cb 0.34 1.01 -0.09 0.00 -1.52 0.00 0.00 31.29 31.02 1pwx h VAL 101 CO 0.02 0.32 -0.11 -0.08 0.02 0.00 0.00 177.57 177.74 1pwx h GLU 102 N 0.59 0.02 0.00 1.57 4.57 -0.87 1.46 114.58 121.91 1pwx h GLU 102 Ca 0.13 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1pwx h GLU 102 Cb 0.41 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1pwx h GLU 102 CO 0.01 0.01 0.00 0.00 -1.18 0.00 0.00 179.01 177.85 1pwx n ALA 103 N -2.84 2.24 0.00 2.92 0.00 -1.19 -2.47 120.51 119.17 1pwx n ALA 103 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1pwx n ALA 103 Cb 0.27 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1pwx n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pwx n LEU 104 N -1.66 0.00 0.00 0.00 4.77 -0.03 -4.41 117.00 115.67 1pwx n LEU 104 Ca 0.06 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1pwx n LEU 104 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1pwx n LEU 104 CO 0.26 0.00 -0.29 0.00 -1.33 0.00 0.00 177.39 176.03 1pwx n GLN 105 N -0.99 0.98 0.06 3.23 6.02 0.48 -4.42 117.38 122.74 1pwx n GLN 105 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 1pwx n GLN 105 Cb 0.00 -0.79 -0.14 0.00 1.02 0.00 0.00 30.24 30.33 1pwx n GLN 105 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1pwx h ILE 106 N 0.00 1.47 -0.35 5.09 1.08 -1.40 -3.17 117.51 120.23 1pwx h ILE 106 Ca 0.00 -2.51 0.05 0.00 -0.39 0.00 0.00 64.86 62.01 1pwx h ILE 106 Cb 0.57 3.11 -0.04 0.00 -3.07 0.00 0.00 36.82 37.39 1pwx h ILE 106 CO 0.00 0.72 0.09 -0.09 -0.69 0.00 0.00 178.15 178.18 1pwx h ARG 107 N -0.26 0.22 -0.03 2.37 9.65 -1.75 -0.17 114.38 124.41 1pwx h ARG 107 Ca -0.15 -0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 58.55 1pwx h ARG 107 Cb 1.68 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 30.20 1pwx h ARG 107 CO 0.17 0.14 -0.73 -1.00 2.80 0.00 0.00 179.97 181.35 1pwx h PRO 108 N 0.22 0.18 -0.40 0.20 0.13 -1.86 -2.32 132.00 128.15 1pwx h PRO 108 Ca 0.16 -0.15 -0.06 0.00 -0.87 0.00 0.00 66.00 65.08 1pwx h PRO 108 Cb 0.17 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1pwx h PRO 108 CO -0.20 0.83 0.01 0.35 -0.23 0.00 0.00 178.00 178.76 1pwx h PHE 109 N 0.12 0.75 -0.61 1.56 3.04 -1.48 -2.74 116.94 117.58 1pwx h PHE 109 Ca -0.02 -0.13 -0.05 0.00 3.98 0.00 0.00 57.97 61.75 1pwx h PHE 109 Cb 1.29 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.57 1pwx h PHE 109 CO 0.02 0.76 0.18 0.00 -2.02 0.00 0.00 178.31 177.25 1pwx h ALA 110 N 0.89 0.80 -0.53 2.41 0.00 -0.98 -0.45 119.26 121.40 1pwx h ALA 110 Ca 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pwx h ALA 110 Cb 0.45 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1pwx h ALA 110 CO 0.02 0.48 0.32 -0.07 0.00 0.00 0.00 179.25 180.00 1pwx h LEU 111 N 0.88 0.64 -0.79 0.00 3.38 -1.33 0.22 115.31 118.30 1pwx h LEU 111 Ca 0.20 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1pwx h LEU 111 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1pwx h LEU 111 CO -0.00 0.51 -0.26 0.58 0.09 0.00 0.00 178.44 179.35 1pwx h VAL 112 N 0.71 1.27 -0.55 1.22 2.07 -1.34 0.23 116.25 119.87 1pwx h VAL 112 Ca 0.19 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.42 1pwx h VAL 112 Cb -0.01 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1pwx h VAL 112 CO -0.04 0.44 0.27 -1.13 0.02 0.00 0.00 177.57 177.13 1pwx h ASN 113 N 0.54 0.39 0.01 0.57 -0.00 -0.25 0.50 115.58 117.33 1pwx h ASN 113 Ca 0.07 0.03 -0.00 0.00 -0.00 0.00 0.00 56.30 56.41 1pwx h ASN 113 Cb 0.73 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 39.01 1pwx h ASN 113 CO 0.06 0.26 -0.00 0.00 -0.00 0.00 0.00 177.43 177.74 1pwx h ALA 114 N 1.30 -0.01 0.00 1.57 0.00 0.03 -3.36 119.26 118.79 1pwx h ALA 114 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pwx h ALA 114 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pwx h ALA 114 CO -0.18 -0.25 -0.63 -0.24 0.00 0.00 0.00 179.25 177.95 1pwx h VAL 115 N -0.52 0.00 -0.02 0.00 3.04 -0.35 -3.43 116.25 114.97 1pwx h VAL 115 Ca -0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 1pwx h VAL 115 Cb 0.51 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 1pwx h VAL 115 CO 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 177.57 176.52 1pwx h ALA 116 N 2.38 -0.38 -1.61 3.17 0.00 -0.15 -3.12 119.26 119.55 1pwx h ALA 116 Ca 0.00 -0.00 0.47 0.00 0.00 0.00 0.00 54.91 55.38 1pwx h ALA 116 Cb 0.81 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 19.21 1pwx h ALA 116 CO 0.00 -0.40 1.14 1.03 0.00 0.00 0.00 179.25 181.03 1pwx h SER 117 N -0.03 0.04 -0.02 0.00 0.87 -1.83 0.40 113.55 112.99 1pwx h SER 117 Ca 0.00 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 1pwx h SER 117 Cb 0.04 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1pwx h SER 117 CO -0.04 -0.02 -0.17 0.06 -0.53 0.00 0.00 176.83 176.13 1pwx h GLN 118 N 0.02 0.15 -0.61 2.24 3.07 -1.87 1.21 115.11 119.32 1pwx h GLN 118 Ca 0.79 -0.13 0.02 0.00 0.09 0.00 0.00 58.65 59.42 1pwx h GLN 118 Cb 3.07 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 30.63 1pwx h GLN 118 CO -0.07 0.82 0.40 0.52 0.09 0.00 0.00 178.83 180.59 1pwx h MET 119 N -0.48 0.76 -0.03 0.06 2.86 -0.41 0.16 114.93 117.84 1pwx h MET 119 Ca -0.01 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1pwx h MET 119 Cb 0.86 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1pwx h MET 119 CO 0.03 0.50 -0.17 0.87 1.06 0.00 0.00 176.91 179.21 1pwx h LYS 120 N 0.78 0.16 -0.02 1.72 1.57 -0.37 0.56 116.57 120.97 1pwx h LYS 120 Ca 0.23 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1pwx h LYS 120 Cb -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1pwx h LYS 120 CO -0.06 0.81 -0.03 0.87 -0.57 0.00 0.00 179.45 180.47 1pwx h LYS 121 N -0.44 -0.05 0.00 3.15 1.57 0.20 -2.53 116.57 118.48 1pwx h LYS 121 Ca -0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 1pwx h LYS 121 Cb 0.84 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1pwx h LYS 121 CO 0.03 -0.03 -0.80 0.07 -0.57 0.00 0.00 179.45 178.15 1pwx h ARG 122 N -0.05 0.00 -2.15 3.15 0.11 -0.80 -3.48 114.38 111.15 1pwx h ARG 122 Ca 0.02 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.05 1pwx h ARG 122 Cb 0.08 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.18 1pwx h ARG 122 CO -0.05 0.80 -0.11 1.63 0.10 0.00 0.00 179.97 182.34 1pwx n LYS 123 N -3.39 -1.09 -3.64 0.08 5.02 0.18 -5.07 118.16 110.25 1pwx n LYS 123 Ca 0.00 0.13 -0.13 0.00 -2.02 0.00 0.00 58.31 56.29 1pwx n LYS 123 Cb 0.83 -3.00 -0.06 0.00 -0.02 0.00 0.00 35.03 32.77 1pwx n LYS 123 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pwx s SER 124 N -3.13 -0.33 0.00 4.39 1.04 -0.05 -4.65 113.70 110.98 1pwx s SER 124 Ca 0.04 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1pwx s SER 124 Cb -0.02 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1pwx s SER 124 CO 0.11 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1pwx n GLY 125 N 0.50 4.36 2.87 7.32 0.00 -1.26 -4.40 105.19 114.57 1pwx n GLY 125 Ca -0.18 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 1pwx n GLY 125 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pwx s HIS 126 N -2.00 0.80 -0.20 1.61 3.76 0.17 -3.84 115.29 115.60 1pwx s HIS 126 Ca 0.00 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.62 1pwx s HIS 126 Cb 0.00 -0.75 -0.02 0.00 1.11 0.00 0.00 32.58 32.92 1pwx s HIS 126 CO 0.00 -0.25 -0.02 0.42 -0.85 0.00 0.00 174.74 174.03 1pwx s ILE 127 N 1.23 3.70 -0.09 0.60 -1.09 -1.06 0.97 121.20 125.47 1pwx s ILE 127 Ca -0.06 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1pwx s ILE 127 Cb -0.14 -2.67 0.03 0.00 -1.58 0.00 0.00 42.46 38.10 1pwx s ILE 127 CO -0.02 0.43 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.45 1pwx s ILE 128 N 1.10 0.70 -0.28 2.92 1.01 0.23 -0.48 121.20 126.38 1pwx s ILE 128 Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 1pwx s ILE 128 Cb -0.15 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1pwx s ILE 128 CO 0.01 0.31 0.13 -0.36 0.00 0.00 0.00 174.94 175.03 1pwx s PHE 129 N 1.70 3.16 -0.76 3.97 2.99 0.18 0.10 117.98 129.31 1pwx s PHE 129 Ca 0.03 -0.37 -0.20 0.00 0.00 0.00 0.00 56.93 56.38 1pwx s PHE 129 Cb -0.13 -2.32 0.11 0.00 0.00 0.00 0.00 43.02 40.68 1pwx s PHE 129 CO -0.06 -0.36 0.97 0.42 -0.00 0.00 0.00 175.22 176.19 1pwx s ILE 130 N 1.65 4.63 0.00 0.64 -1.09 0.83 -0.75 121.20 127.11 1pwx s ILE 130 Ca 0.06 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.43 1pwx s ILE 130 Cb -0.16 -4.67 0.00 0.00 -1.58 0.00 0.00 42.46 36.04 1pwx s ILE 130 CO 0.06 -1.40 0.00 0.35 -1.23 0.00 0.00 174.94 172.73 1pwx n THR 131 N 5.60 0.00 -3.61 2.92 -2.24 -0.57 -3.61 114.28 112.78 1pwx n THR 131 Ca 0.07 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1pwx n THR 131 Cb 0.46 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 1pwx n THR 131 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1pwx s SER 132 N -1.00 -0.09 0.00 3.42 0.15 -1.26 -4.50 113.70 110.42 1pwx s SER 132 Ca 0.00 -0.01 0.23 0.00 0.70 0.00 0.00 55.95 56.87 1pwx s SER 132 Cb 0.00 0.10 0.50 0.00 -1.71 0.00 0.00 66.02 64.91 1pwx s SER 132 CO 0.00 -0.17 1.44 0.00 1.20 0.00 0.00 173.24 175.71 1pwx n ALA 133 N -0.10 2.42 -0.19 5.45 0.00 -0.81 -4.52 120.51 122.75 1pwx n ALA 133 Ca 0.01 -1.02 -0.02 0.00 0.00 0.00 0.00 53.44 52.42 1pwx n ALA 133 Cb 0.58 -0.91 0.09 0.00 0.00 0.00 0.00 19.45 19.21 1pwx n ALA 133 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1pwx h THR 134 N 4.21 0.83 0.00 0.00 1.35 -1.89 -0.52 112.91 116.89 1pwx h THR 134 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1pwx h THR 134 Cb 0.94 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1pwx h THR 134 CO 0.00 0.08 0.01 -2.65 -0.25 0.00 0.00 175.52 172.70 1pwx n PRO 135 N -4.97 0.00 0.02 4.72 -0.02 -1.26 -1.01 135.00 132.48 1pwx n PRO 135 Ca 0.07 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.72 1pwx n PRO 135 Cb 0.23 -1.51 -0.14 0.00 -0.02 0.00 0.00 33.50 32.06 1pwx n PRO 135 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1pwx h PHE 136 N 0.00 0.26 -1.04 6.00 3.57 -1.42 -3.42 116.94 120.89 1pwx h PHE 136 Ca 0.00 -0.19 -0.26 0.00 3.53 0.00 0.00 57.97 61.06 1pwx h PHE 136 Cb 0.01 -0.01 -0.20 0.00 2.79 0.00 0.00 35.95 38.54 1pwx h PHE 136 CO 0.00 1.29 -0.60 0.41 -2.23 0.00 0.00 178.31 177.18 1pwx n GLY 137 N 1.66 0.17 3.65 2.40 0.00 -0.18 -4.90 105.19 107.98 1pwx n GLY 137 Ca -0.18 0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 1pwx n GLY 137 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pwx n PRO 138 N 2.55 2.50 -1.09 1.61 -0.02 -0.19 -4.85 135.00 135.52 1pwx n PRO 138 Ca 0.18 0.88 -0.29 0.00 -2.02 0.00 0.00 63.50 62.25 1pwx n PRO 138 Cb 0.56 -2.97 0.19 0.00 -0.02 0.00 0.00 33.50 31.26 1pwx n PRO 138 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1pwx s TRP 139 N 5.27 1.87 0.10 6.00 0.51 -1.26 -4.94 118.94 126.48 1pwx s TRP 139 Ca 0.93 0.94 -0.30 0.00 -2.12 0.00 0.00 56.10 55.55 1pwx s TRP 139 Cb -0.48 -3.27 -0.06 0.00 -0.81 0.00 0.00 33.47 28.86 1pwx s TRP 139 CO 0.43 -3.14 1.08 0.21 -0.51 0.00 0.00 176.95 175.02 1pwx s LYS 140 N -4.95 4.56 -0.36 4.98 2.20 -1.26 -4.18 119.74 120.73 1pwx s LYS 140 Ca 0.66 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 1pwx s LYS 140 Cb -0.19 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1pwx s LYS 140 CO 0.58 -0.01 0.00 0.39 -0.36 0.00 0.00 175.35 175.95 1pwx n GLU 141 N 3.13 -0.28 -1.98 4.03 1.02 -1.26 -4.90 120.64 120.39 1pwx n GLU 141 Ca 0.05 0.39 -0.15 0.00 -0.02 0.00 0.00 57.16 57.43 1pwx n GLU 141 Cb 0.48 -4.08 0.05 0.00 -0.02 0.00 0.00 31.44 27.87 1pwx n GLU 141 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1pwx n LEU 142 N -0.49 3.91 0.00 -4.62 7.94 -1.26 -1.46 117.00 121.02 1pwx n LEU 142 Ca -0.04 -4.24 0.00 0.00 -1.11 0.00 0.00 56.01 50.62 1pwx n LEU 142 Cb 0.35 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1pwx n LEU 142 CO 0.05 1.77 0.37 -1.54 -1.11 0.00 0.00 177.39 176.94 1pwx n SER 143 N -0.70 0.00 -0.27 1.96 3.41 -1.26 -1.88 113.62 114.88 1pwx n SER 143 Ca 0.33 0.74 0.02 0.00 -0.26 0.00 0.00 58.87 59.70 1pwx n SER 143 Cb 0.91 -0.24 0.08 0.00 -0.26 0.00 0.00 64.21 64.70 1pwx n SER 143 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1pwx n THR 144 N -1.80 -0.34 0.19 6.66 -2.24 -1.26 0.33 114.28 115.81 1pwx n THR 144 Ca 0.00 1.71 0.07 0.00 -2.27 0.00 0.00 64.05 63.56 1pwx n THR 144 Cb 0.00 -2.33 0.29 0.00 -2.10 0.00 0.00 70.33 66.19 1pwx n THR 144 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1pwx h TYR 145 N 0.00 0.00 0.21 4.78 5.03 -1.86 -2.84 116.97 122.29 1pwx h TYR 145 Ca 0.32 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.62 1pwx h TYR 145 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.79 1pwx h TYR 145 CO -0.60 0.34 -0.10 1.15 -1.32 0.00 0.00 178.16 177.62 1pwx h THR 146 N 0.00 0.20 0.00 1.81 2.02 0.61 -2.84 112.91 114.71 1pwx h THR 146 Ca -0.00 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1pwx h THR 146 Cb 0.98 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1pwx h THR 146 CO 0.04 0.06 0.00 0.77 0.37 0.00 0.00 175.52 176.76 1pwx h SER 147 N -1.05 0.00 0.28 4.18 4.64 -1.44 -2.21 113.55 117.95 1pwx h SER 147 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1pwx h SER 147 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1pwx h SER 147 CO 0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 175.88 1pwx h ALA 148 N 2.01 -0.37 -0.76 5.18 0.00 -1.55 -2.82 119.26 120.96 1pwx h ALA 148 Ca 0.00 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.92 1pwx h ALA 148 Cb 0.14 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1pwx h ALA 148 CO 0.00 -0.42 0.53 0.00 0.00 0.00 0.00 179.25 179.36 1pwx h ARG 149 N -0.95 0.14 0.64 0.00 2.47 -1.19 -2.17 114.38 113.33 1pwx h ARG 149 Ca -0.04 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 1pwx h ARG 149 Cb 0.49 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1pwx h ARG 149 CO 0.06 0.09 -0.36 0.00 0.56 0.00 0.00 179.97 180.32 1pwx h ALA 150 N 1.64 -0.95 -0.77 0.04 0.00 -1.27 -1.25 119.26 116.70 1pwx h ALA 150 Ca 0.37 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1pwx h ALA 150 Cb 1.25 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 1pwx h ALA 150 CO -0.06 -1.05 0.43 0.78 0.00 0.00 0.00 179.25 179.35 1pwx h GLY 151 N -0.94 1.16 1.91 0.00 0.00 -1.14 -0.59 103.07 103.47 1pwx h GLY 151 Ca -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1pwx h GLY 151 CO 0.10 0.13 0.02 0.00 0.00 0.00 0.00 176.54 176.80 1pwx h ALA 152 N 1.42 1.88 -0.17 3.60 0.00 -1.28 0.50 119.26 125.20 1pwx h ALA 152 Ca 0.36 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1pwx h ALA 152 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pwx h ALA 152 CO -0.23 0.10 -0.18 0.00 0.00 0.00 0.00 179.25 178.94 1pwx h THR 154 N 0.06 0.76 -0.06 0.00 2.02 -0.97 -2.76 112.91 111.96 1pwx h THR 154 Ca 0.03 -1.49 0.03 0.00 0.77 0.00 0.00 66.41 65.74 1pwx h THR 154 Cb 0.72 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 69.05 1pwx h THR 154 CO 0.04 0.33 -0.11 0.25 0.37 0.00 0.00 175.52 176.41 1pwx h LEU 155 N 0.00 -0.34 -0.37 2.58 6.46 -0.84 0.14 115.31 122.95 1pwx h LEU 155 Ca -0.00 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1pwx h LEU 155 Cb 0.93 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 1pwx h LEU 155 CO 0.04 -0.16 0.19 0.00 -0.62 0.00 0.00 178.44 177.90 1pwx h ALA 156 N 0.86 0.47 -0.34 1.25 0.00 -1.36 -0.74 119.26 119.40 1pwx h ALA 156 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pwx h ALA 156 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1pwx h ALA 156 CO -0.15 0.01 0.16 -0.97 0.00 0.00 0.00 179.25 178.30 1pwx h ASN 157 N 0.46 0.44 -0.74 0.00 -0.73 -1.20 -1.71 115.58 112.11 1pwx h ASN 157 Ca 0.13 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 58.15 1pwx h ASN 157 Cb 0.08 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 38.53 1pwx h ASN 157 CO -0.02 0.44 0.36 0.00 -0.37 0.00 0.00 177.43 177.84 1pwx h ALA 158 N 1.02 0.96 -0.18 1.57 0.00 -0.64 -2.80 119.26 119.18 1pwx h ALA 158 Ca 0.12 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1pwx h ALA 158 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1pwx h ALA 158 CO -0.01 0.53 -0.33 -0.07 0.00 0.00 0.00 179.25 179.36 1pwx h LEU 159 N 1.05 0.39 -1.77 0.00 3.38 -0.95 -2.74 115.31 114.66 1pwx h LEU 159 Ca 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1pwx h LEU 159 Cb 0.12 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1pwx h LEU 159 CO -0.03 0.70 -0.15 0.77 0.09 0.00 0.00 178.44 179.82 1pwx h SER 160 N 0.33 0.00 -0.42 -0.43 4.64 -1.04 -1.56 113.55 115.06 1pwx h SER 160 Ca 0.04 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.24 1pwx h SER 160 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1pwx h SER 160 CO 0.06 0.15 -0.20 0.11 -0.87 0.00 0.00 176.83 176.07 1pwx h LYS 161 N 0.00 0.92 0.15 4.77 1.79 -1.41 -2.95 116.57 119.84 1pwx h LYS 161 Ca -0.00 -0.38 -0.28 0.00 -2.18 0.00 0.00 60.65 57.81 1pwx h LYS 161 Cb 0.40 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1pwx h LYS 161 CO 0.02 1.04 -1.37 1.05 -1.08 0.00 0.00 179.45 179.11 1pwx h GLU 162 N 0.80 0.32 0.00 3.15 4.11 -1.53 -3.34 114.58 118.09 1pwx h GLU 162 Ca 0.11 -0.54 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1pwx h GLU 162 Cb 0.76 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1pwx h GLU 162 CO 0.06 1.26 0.00 1.28 0.07 0.00 0.00 179.01 181.68 1pwx n LEU 163 N -3.88 0.00 0.20 3.06 4.77 -0.63 -2.94 117.00 117.57 1pwx n LEU 163 Ca -0.22 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.84 1pwx n LEU 163 Cb 0.94 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 42.32 1pwx n LEU 163 CO 0.47 0.00 0.70 1.23 -1.33 0.00 0.00 177.39 178.45 1pwx h GLY 164 N 4.35 0.00 1.05 -0.72 0.00 -1.64 0.14 103.07 106.25 1pwx h GLY 164 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1pwx h GLY 164 CO 0.00 0.00 -0.67 1.05 0.00 0.00 0.00 176.54 176.92 1pwx h GLU 165 N 0.00 0.69 -0.33 4.80 -0.00 -1.79 -2.99 114.58 114.96 1pwx h GLU 165 Ca -0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 59.36 58.80 1pwx h GLU 165 Cb 0.98 0.12 0.00 0.00 -0.00 0.00 0.00 28.75 29.85 1pwx h GLU 165 CO 0.04 1.18 0.00 0.66 -0.00 0.00 0.00 179.01 180.88 1pwx n TYR 166 N -4.06 0.34 -3.40 2.06 4.01 -1.15 -4.94 117.16 110.02 1pwx n TYR 166 Ca -0.08 -0.15 -0.21 0.00 -0.16 0.00 0.00 57.90 57.30 1pwx n TYR 166 Cb 0.69 -0.04 0.01 0.00 -0.31 0.00 0.00 39.34 39.69 1pwx n TYR 166 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1pwx n ASN 167 N 0.13 -6.16 -3.49 7.72 4.05 -0.75 -3.89 115.26 112.87 1pwx n ASN 167 Ca 0.07 -0.30 -0.25 0.00 0.45 0.00 0.00 54.58 54.56 1pwx n ASN 167 Cb 0.24 -3.04 -0.13 0.00 1.23 0.00 0.00 39.78 38.08 1pwx n ASN 167 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1pwx s ILE 168 N -2.49 -0.19 0.54 -1.44 -1.09 0.42 -4.10 121.20 112.84 1pwx s ILE 168 Ca 0.15 -0.66 -0.20 0.00 -2.23 0.00 0.00 60.65 57.71 1pwx s ILE 168 Cb -0.02 -0.98 -0.05 0.00 -1.58 0.00 0.00 42.46 39.82 1pwx s ILE 168 CO 0.84 -0.63 1.20 -2.84 -1.23 0.00 0.00 174.94 172.27 1pwx s PRO 169 N 2.20 3.30 -0.09 2.79 0.02 -1.25 -4.41 135.00 137.55 1pwx s PRO 169 Ca 0.09 1.82 0.01 0.00 0.02 0.00 0.00 61.00 62.94 1pwx s PRO 169 Cb -0.15 -2.12 0.02 0.00 0.02 0.00 0.00 34.50 32.27 1pwx s PRO 169 CO -0.35 -0.94 -0.12 0.08 -0.33 0.00 0.00 177.00 175.34 1pwx s VAL 170 N -1.58 1.17 0.12 3.83 1.01 -1.26 -2.55 120.40 121.14 1pwx s VAL 170 Ca 0.72 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.31 1pwx s VAL 170 Cb -0.30 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1pwx s VAL 170 CO 0.34 0.37 -0.16 -0.36 0.00 0.00 0.00 175.10 175.29 1pwx s PHE 171 N 1.01 1.53 -0.21 5.22 0.40 0.36 -0.57 117.98 125.72 1pwx s PHE 171 Ca -0.08 -0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 55.75 1pwx s PHE 171 Cb -0.15 -0.80 0.06 0.00 0.51 0.00 0.00 43.02 42.64 1pwx s PHE 171 CO -0.01 0.18 -0.02 0.00 0.70 0.00 0.00 175.22 176.08 1pwx s ALA 172 N -1.82 1.54 -0.39 5.36 0.00 -0.96 0.48 121.76 125.97 1pwx s ALA 172 Ca 0.08 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 50.83 1pwx s ALA 172 Cb -0.07 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.75 1pwx s ALA 172 CO 0.04 -1.16 0.40 0.42 0.00 0.00 0.00 175.76 175.46 1pwx s ILE 173 N 1.60 5.13 -0.49 0.00 -1.09 0.07 0.44 121.20 126.86 1pwx s ILE 173 Ca -0.03 -0.18 -0.07 0.00 -2.23 0.00 0.00 60.65 58.13 1pwx s ILE 173 Cb -0.18 -3.94 0.13 0.00 -1.58 0.00 0.00 42.46 36.89 1pwx s ILE 173 CO -0.07 -0.27 0.34 -0.83 -1.23 0.00 0.00 174.94 172.87 1pwx s GLY 174 N 1.77 2.10 0.53 6.18 0.00 0.11 -1.51 107.32 116.50 1pwx s GLY 174 Ca 0.12 -2.64 0.02 0.00 0.00 0.00 0.00 44.72 42.21 1pwx s GLY 174 CO 0.13 1.10 0.74 2.56 0.00 0.00 0.00 173.10 177.63 1pwx s PRO 175 N 1.12 2.62 -0.09 2.90 0.04 -1.26 -2.04 135.00 138.28 1pwx s PRO 175 Ca 0.08 -0.80 -0.26 0.00 0.04 0.00 0.00 61.00 60.06 1pwx s PRO 175 Cb -0.24 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.84 1pwx s PRO 175 CO -0.02 -0.63 0.62 1.21 0.04 0.00 0.00 177.00 178.22 1pwx s ASN 176 N -4.40 -0.59 -1.84 6.66 3.84 -1.12 -1.93 114.94 115.56 1pwx s ASN 176 Ca 0.56 0.77 0.00 0.00 0.21 0.00 0.00 52.86 54.41 1pwx s ASN 176 Cb -0.10 0.71 0.00 0.00 -0.55 0.00 0.00 41.25 41.30 1pwx s ASN 176 CO 0.38 -0.49 0.00 -1.22 -2.79 0.00 0.00 177.10 172.98 1pwx n TYR 177 N 1.44 -0.39 -2.69 0.43 0.53 -1.26 -4.43 117.16 110.79 1pwx n TYR 177 Ca -0.18 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.27 1pwx n TYR 177 Cb 0.56 -3.42 -0.02 0.00 -1.03 0.00 0.00 39.34 35.43 1pwx n TYR 177 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1pwx s LEU 178 N -4.81 4.19 -0.15 7.72 2.96 -1.26 0.15 118.68 127.48 1pwx s LEU 178 Ca 0.00 1.46 -0.29 0.00 -0.22 0.00 0.00 54.13 55.07 1pwx s LEU 178 Cb 0.00 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1pwx s LEU 178 CO 0.00 -0.53 1.60 -2.28 -1.32 0.00 0.00 176.35 173.82 1pwx s HIS 179 N 2.47 2.12 -0.38 5.38 5.65 1.22 -3.75 115.29 128.00 1pwx s HIS 179 Ca 0.46 0.46 0.06 0.00 0.25 0.00 0.00 55.06 56.29 1pwx s HIS 179 Cb -0.17 -3.91 0.59 0.00 -1.18 0.00 0.00 32.58 27.91 1pwx s HIS 179 CO 0.13 -3.16 1.71 -1.13 -0.65 0.00 0.00 174.74 171.63 1pwx n SER 180 N 7.83 3.26 0.00 9.88 3.41 -0.23 -3.92 113.62 133.85 1pwx n SER 180 Ca 0.18 -3.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.08 1pwx n SER 180 Cb 0.44 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1pwx n SER 180 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pwx n GLU 181 N -1.13 0.00 -0.04 4.33 -0.58 -1.26 0.36 120.64 122.32 1pwx n GLU 181 Ca 0.48 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 57.05 1pwx n GLU 181 Cb 1.35 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 32.08 1pwx n GLU 181 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1pwx n ASP 182 N 0.96 1.64 -4.69 1.62 8.00 -1.26 -2.18 116.55 120.63 1pwx n ASP 182 Ca 0.00 0.15 -0.40 0.00 0.71 0.00 0.00 54.79 55.25 1pwx n ASP 182 Cb 0.00 -0.42 0.03 0.00 -0.02 0.00 0.00 41.12 40.70 1pwx n ASP 182 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1pwx n SER 183 N -3.27 2.19 -0.16 -2.24 2.88 0.16 -4.87 113.62 108.31 1pwx n SER 183 Ca -0.32 1.02 0.14 0.00 -1.33 0.00 0.00 58.87 58.38 1pwx n SER 183 Cb 1.05 -1.49 0.57 0.00 -0.75 0.00 0.00 64.21 63.59 1pwx n SER 183 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1pwx n PRO 184 N -0.40 0.77 -3.50 -1.46 -0.04 -1.26 -3.73 135.00 125.38 1pwx n PRO 184 Ca 0.09 -0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 62.82 1pwx n PRO 184 Cb 0.42 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1pwx n PRO 184 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pwx s TYR 185 N -2.45 3.40 0.00 0.54 2.02 -1.26 -4.09 117.35 115.51 1pwx s TYR 185 Ca 0.29 -1.77 0.00 0.00 -0.37 0.00 0.00 57.07 55.22 1pwx s TYR 185 Cb 0.20 -3.57 0.00 0.00 -0.40 0.00 0.00 41.96 38.19 1pwx s TYR 185 CO 0.47 -1.00 0.57 1.19 -1.57 0.00 0.00 175.55 175.22 1pwx n PHE 186 N 4.94 0.00 -3.64 2.71 3.01 -1.26 -1.93 117.46 121.28 1pwx n PHE 186 Ca -0.08 -0.16 -0.28 0.00 1.01 0.00 0.00 57.45 57.93 1pwx n PHE 186 Cb 0.41 -0.02 -0.12 0.00 -0.01 0.00 0.00 39.48 39.74 1pwx n PHE 186 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1pwx s TYR 187 N -0.33 2.02 1.11 1.38 1.51 -1.25 -5.04 117.35 116.76 1pwx s TYR 187 Ca 0.00 -2.58 -0.17 0.00 -1.01 0.00 0.00 57.07 53.31 1pwx s TYR 187 Cb 0.00 -1.73 0.25 0.00 -0.11 0.00 0.00 41.96 40.37 1pwx s TYR 187 CO 0.00 -0.74 1.15 -1.25 -1.11 0.00 0.00 175.55 173.60 1pwx s PRO 188 N -0.15 -0.46 0.00 -1.71 0.04 -1.24 -1.07 135.00 130.40 1pwx s PRO 188 Ca 0.24 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1pwx s PRO 188 Cb -0.10 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1pwx s PRO 188 CO -0.10 -3.22 0.66 2.41 0.04 0.00 0.00 177.00 176.79 1pwx n THR 189 N -4.41 0.00 -2.64 1.26 -1.04 -0.93 -3.89 114.28 102.63 1pwx n THR 189 Ca 0.12 1.16 -0.41 0.00 -2.04 0.00 0.00 64.05 62.88 1pwx n THR 189 Cb 0.59 -1.99 -0.04 0.00 -1.82 0.00 0.00 70.33 67.07 1pwx n THR 189 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1pwx s GLU 190 N -1.65 4.66 0.00 -2.82 2.56 -1.26 -0.86 118.70 119.34 1pwx s GLU 190 Ca 0.00 1.57 0.19 0.00 0.00 0.00 0.00 54.97 56.73 1pwx s GLU 190 Cb 0.00 -3.33 0.39 0.00 2.00 0.00 0.00 34.13 33.19 1pwx s GLU 190 CO 0.00 0.17 1.32 -0.35 -0.56 0.00 0.00 175.26 175.84 1pwx n PRO 191 N 2.52 2.37 0.01 4.30 -0.04 -1.26 -4.93 135.00 137.97 1pwx n PRO 191 Ca 0.02 -2.15 0.07 0.00 -0.04 0.00 0.00 63.50 61.40 1pwx n PRO 191 Cb 0.48 -1.43 0.48 0.00 -0.04 0.00 0.00 33.50 32.99 1pwx n PRO 191 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1pwx h TRP 192 N 3.59 0.42 -0.08 0.54 4.06 -1.16 0.17 115.95 123.48 1pwx h TRP 192 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1pwx h TRP 192 Cb 0.86 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.88 1pwx h TRP 192 CO 0.25 0.25 0.00 1.63 -3.56 0.00 0.00 178.44 177.01 1pwx n LYS 193 N -4.48 1.50 -0.50 0.49 5.02 -0.04 -3.98 118.16 116.17 1pwx n LYS 193 Ca 0.04 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.02 1pwx n LYS 193 Cb 0.16 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1pwx n LYS 193 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pwx n THR 194 N 0.07 0.00 -3.56 -0.18 -2.24 -1.02 -5.00 114.28 102.35 1pwx n THR 194 Ca 0.04 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.53 1pwx n THR 194 Cb 0.23 0.40 -0.15 0.00 -2.10 0.00 0.00 70.33 68.71 1pwx n THR 194 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1pwx s ASN 195 N -0.80 3.59 0.46 3.42 3.84 0.55 -4.96 114.94 121.05 1pwx s ASN 195 Ca 0.00 -1.34 0.23 0.00 0.21 0.00 0.00 52.86 51.97 1pwx s ASN 195 Cb 0.00 -0.41 0.80 0.00 -0.55 0.00 0.00 41.25 41.09 1pwx s ASN 195 CO 0.00 -0.44 1.03 -2.65 -2.79 0.00 0.00 177.10 172.26 1pwx n PRO 196 N 5.19 0.01 0.36 0.43 -0.02 -1.26 0.32 135.00 140.03 1pwx n PRO 196 Ca -0.05 0.80 -0.14 0.00 -2.02 0.00 0.00 63.50 62.08 1pwx n PRO 196 Cb 0.42 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1pwx n PRO 196 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1pwx h GLU 197 N 0.00 -0.88 -0.20 -0.52 4.22 -1.94 -1.88 114.58 113.38 1pwx h GLU 197 Ca 0.43 0.06 -0.12 0.00 0.08 0.00 0.00 59.36 59.81 1pwx h GLU 197 Cb 2.38 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 31.82 1pwx h GLU 197 CO -0.00 -0.59 -0.40 0.45 -2.18 0.00 0.00 179.01 176.28 1pwx h HIS 198 N -1.01 0.54 -1.00 0.92 3.86 -0.35 -0.49 115.15 117.62 1pwx h HIS 198 Ca -0.09 -0.15 0.02 0.00 -1.16 0.00 0.00 60.37 58.99 1pwx h HIS 198 Cb 0.70 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 29.00 1pwx h HIS 198 CO 0.05 0.79 0.66 0.28 0.86 0.00 0.00 177.93 180.57 1pwx h VAL 199 N 0.38 1.22 -0.25 2.45 2.07 -1.49 0.32 116.25 120.94 1pwx h VAL 199 Ca 0.03 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 1pwx h VAL 199 Cb 0.87 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1pwx h VAL 199 CO 0.07 0.24 -0.30 0.00 0.02 0.00 0.00 177.57 177.61 1pwx h ALA 200 N 1.39 1.02 0.35 1.67 0.00 -0.66 0.50 119.26 123.52 1pwx h ALA 200 Ca 0.38 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1pwx h ALA 200 Cb -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1pwx h ALA 200 CO -0.10 0.59 -0.17 1.25 0.00 0.00 0.00 179.25 180.83 1pwx h HIS 201 N 0.45 -0.43 0.00 0.00 6.17 0.11 -2.43 115.15 119.02 1pwx h HIS 201 Ca 0.06 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.12 1pwx h HIS 201 Cb 0.74 0.14 -0.00 0.00 2.52 0.00 0.00 27.41 30.81 1pwx h HIS 201 CO 0.03 -0.10 -0.03 0.28 0.71 0.00 0.00 177.93 178.82 1pwx h VAL 202 N -0.84 0.77 0.00 5.26 2.07 -0.37 0.24 116.25 123.38 1pwx h VAL 202 Ca -0.05 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1pwx h VAL 202 Cb 0.53 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1pwx h VAL 202 CO 0.08 0.03 0.00 0.11 0.02 0.00 0.00 177.57 177.81 1pwx h LYS 203 N 0.00 0.00 0.00 1.57 1.57 0.48 -2.91 116.57 117.28 1pwx h LYS 203 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1pwx h LYS 203 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1pwx h LYS 203 CO 0.00 0.00 -1.60 1.17 -0.57 0.00 0.00 179.45 178.46 1pwx n LYS 204 N -2.56 0.24 0.16 3.15 4.81 0.71 -4.60 118.16 120.08 1pwx n LYS 204 Ca -0.00 0.08 0.01 0.00 -0.87 0.00 0.00 58.31 57.53 1pwx n LYS 204 Cb 0.15 -1.02 0.27 0.00 0.02 0.00 0.00 35.03 34.45 1pwx n LYS 204 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1pwx h VAL 205 N -0.22 1.35 -2.75 3.15 2.07 -1.24 -3.41 116.25 115.19 1pwx h VAL 205 Ca -0.26 -1.66 -0.54 0.00 0.82 0.00 0.00 66.70 65.07 1pwx h VAL 205 Cb 1.29 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1pwx h VAL 205 CO -0.11 0.47 -0.37 0.42 0.02 0.00 0.00 177.57 178.00 1pwx s THR 206 N -3.94 5.24 0.10 2.57 -4.23 -1.10 -1.59 115.64 112.70 1pwx s THR 206 Ca -0.02 -0.47 -0.08 0.00 -1.18 0.00 0.00 61.69 59.94 1pwx s THR 206 Cb 0.14 -3.74 -0.22 0.00 1.34 0.00 0.00 72.50 70.02 1pwx s THR 206 CO 0.74 -0.15 1.23 0.00 -0.54 0.00 0.00 174.62 175.90 1pwx h ALA 207 N 2.03 0.23 -0.15 3.99 0.00 -1.24 -3.16 119.26 120.95 1pwx h ALA 207 Ca -0.48 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1pwx h ALA 207 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1pwx h ALA 207 CO 0.68 0.78 0.00 1.28 0.00 0.00 0.00 179.25 181.99 1pwx n LEU 208 N -3.76 0.89 -1.99 0.00 4.77 -1.10 -4.90 117.00 110.92 1pwx n LEU 208 Ca -0.09 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1pwx n LEU 208 Cb 0.89 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1pwx n LEU 208 CO 0.54 0.22 0.00 0.00 -1.33 0.00 0.00 177.39 176.81 1pwx n GLN 209 N -0.05 -2.43 -4.11 3.23 6.02 -1.20 -4.83 117.38 114.01 1pwx n GLN 209 Ca 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.98 1pwx n GLN 209 Cb 0.15 -3.64 -0.10 0.00 1.02 0.00 0.00 30.24 27.67 1pwx n GLN 209 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1pwx s ARG 210 N -3.82 0.67 0.71 -1.09 1.70 -1.26 -4.22 118.95 111.64 1pwx s ARG 210 Ca 0.00 -1.22 -0.09 0.00 -0.47 0.00 0.00 55.73 53.95 1pwx s ARG 210 Cb 0.00 0.06 0.05 0.00 -0.57 0.00 0.00 34.95 34.48 1pwx s ARG 210 CO 0.00 -0.07 1.05 -0.51 -1.08 0.00 0.00 175.30 174.69 1pwx s LEU 211 N -2.86 2.83 -0.08 -1.89 1.43 -1.26 -4.91 118.68 111.94 1pwx s LEU 211 Ca 0.07 0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 53.67 1pwx s LEU 211 Cb 0.06 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1pwx s LEU 211 CO -0.08 -1.52 0.69 -0.83 0.23 0.00 0.00 176.35 174.84 1pwx s GLY 212 N -4.46 2.56 0.62 -3.19 0.00 0.40 -4.85 107.32 98.39 1pwx s GLY 212 Ca 0.59 0.09 -0.12 0.00 0.00 0.00 0.00 44.72 45.27 1pwx s GLY 212 CO 0.47 1.18 1.03 -0.51 0.00 0.00 0.00 173.10 175.27 1pwx s THR 213 N 0.90 4.42 -0.04 0.90 -4.23 -1.26 0.38 115.64 116.70 1pwx s THR 213 Ca 0.36 0.89 0.27 0.00 -1.18 0.00 0.00 61.69 62.03 1pwx s THR 213 Cb -0.17 -3.68 0.31 0.00 1.34 0.00 0.00 72.50 70.30 1pwx s THR 213 CO 0.17 -0.93 1.81 1.56 -0.54 0.00 0.00 174.62 176.69 1pwx h GLN 214 N -0.10 0.00 -0.22 3.99 1.08 -1.97 -3.18 115.11 114.71 1pwx h GLN 214 Ca -0.45 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 56.59 1pwx h GLN 214 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1pwx h GLN 214 CO 0.60 0.10 -0.49 -0.22 -0.95 0.00 0.00 178.83 177.87 1pwx h LYS 215 N 0.00 0.72 -0.64 1.46 1.63 -1.92 -1.61 116.57 116.20 1pwx h LYS 215 Ca -0.00 -0.48 -0.05 0.00 -0.85 0.00 0.00 60.65 59.27 1pwx h LYS 215 Cb 0.76 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.43 1pwx h LYS 215 CO 0.01 1.10 0.22 0.93 -3.45 0.00 0.00 179.45 178.27 1pwx h GLU 216 N 0.44 0.99 -0.09 1.90 5.08 -1.95 0.22 114.58 121.17 1pwx h GLU 216 Ca 0.00 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1pwx h GLU 216 Cb 1.10 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1pwx h GLU 216 CO 0.11 0.85 0.03 1.25 -1.00 0.00 0.00 179.01 180.26 1pwx h LEU 217 N 0.92 0.12 -0.75 1.33 7.12 -1.58 -1.53 115.31 120.94 1pwx h LEU 217 Ca 0.21 -0.16 0.03 0.00 0.13 0.00 0.00 57.88 58.09 1pwx h LEU 217 Cb 0.27 -0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 40.32 1pwx h LEU 217 CO -0.01 0.25 0.47 1.23 -0.13 0.00 0.00 178.44 180.25 1pwx h GLY 218 N -0.02 1.08 1.73 3.75 0.00 -0.98 -0.34 103.07 108.29 1pwx h GLY 218 Ca 0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1pwx h GLY 218 CO -0.00 0.30 -0.07 0.83 0.00 0.00 0.00 176.54 177.60 1pwx h GLU 219 N 0.92 0.34 -0.19 4.80 4.39 -0.33 -0.16 114.58 124.36 1pwx h GLU 219 Ca 0.30 -0.07 -0.20 0.00 0.34 0.00 0.00 59.36 59.73 1pwx h GLU 219 Cb 0.02 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1pwx h GLU 219 CO -0.11 0.43 -0.69 1.25 -1.16 0.00 0.00 179.01 178.73 1pwx h LEU 220 N 0.32 0.89 -0.43 1.33 5.85 -0.63 -2.44 115.31 120.21 1pwx h LEU 220 Ca 0.07 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1pwx h LEU 220 Cb 0.34 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1pwx h LEU 220 CO 0.02 1.33 0.26 0.58 -0.34 0.00 0.00 178.44 180.28 1pwx h VAL 221 N 0.55 1.13 -0.46 1.05 2.07 -0.22 -1.74 116.25 118.62 1pwx h VAL 221 Ca -0.03 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1pwx h VAL 221 Cb 1.30 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1pwx h VAL 221 CO 0.14 0.13 0.01 0.00 0.02 0.00 0.00 177.57 177.87 1pwx h ALA 222 N 1.12 0.62 -0.31 1.67 0.00 -1.04 -3.04 119.26 118.27 1pwx h ALA 222 Ca 0.15 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1pwx h ALA 222 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1pwx h ALA 222 CO -0.03 0.41 -0.12 0.35 0.00 0.00 0.00 179.25 179.86 1pwx h PHE 223 N 0.66 0.73 0.00 0.00 3.57 -1.37 -2.87 116.94 117.66 1pwx h PHE 223 Ca 0.13 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1pwx h PHE 223 Cb 0.49 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1pwx h PHE 223 CO 0.04 0.84 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.86 1pwx h LEU 224 N 0.40 0.00 -3.22 0.59 3.38 -1.30 -2.63 115.31 112.53 1pwx h LEU 224 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1pwx h LEU 224 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1pwx h LEU 224 CO 0.04 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1pwx n ALA 225 N -2.35 2.91 0.17 1.53 0.00 -1.15 -4.51 120.51 117.11 1pwx n ALA 225 Ca -0.03 -2.17 0.11 0.00 0.00 0.00 0.00 53.44 51.36 1pwx n ALA 225 Cb 0.12 -0.69 0.01 0.00 0.00 0.00 0.00 19.45 18.89 1pwx n ALA 225 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pwx n SER 226 N -0.37 0.77 0.00 0.00 3.41 -0.99 -4.94 113.62 111.50 1pwx n SER 226 Ca 0.20 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1pwx n SER 226 Cb 0.84 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 1pwx n SER 226 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pwx n GLY 227 N 1.21 0.65 0.14 5.00 0.00 -1.26 -4.97 105.19 105.97 1pwx n GLY 227 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1pwx n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pwx h SER 228 N 0.00 0.22 -1.12 1.61 0.02 -1.90 -3.39 113.55 109.00 1pwx h SER 228 Ca 0.00 -0.15 -0.37 0.00 -0.84 0.00 0.00 61.79 60.43 1pwx h SER 228 Cb 0.00 -0.07 -0.33 0.00 0.14 0.00 0.00 62.40 62.15 1pwx h SER 228 CO 0.00 0.87 -0.96 0.00 -1.14 0.00 0.00 176.83 175.60 1pwx h ASP 230 N 2.88 0.00 0.03 0.00 3.32 -1.88 -2.65 116.42 118.12 1pwx h ASP 230 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1pwx h ASP 230 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1pwx h ASP 230 CO 0.37 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.94 1pwx n TYR 231 N -3.68 0.00 1.37 4.55 -0.00 -1.26 -0.78 117.16 117.36 1pwx n TYR 231 Ca -0.02 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.94 1pwx n TYR 231 Cb 0.16 -0.39 0.23 0.00 -0.00 0.00 0.00 39.34 39.33 1pwx n TYR 231 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1pwx n LEU 232 N -1.39 1.15 -4.61 2.98 4.77 -1.00 -4.95 117.00 113.95 1pwx n LEU 232 Ca 0.00 -0.54 -0.53 0.00 -0.03 0.00 0.00 56.01 54.91 1pwx n LEU 232 Cb 0.01 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1pwx n LEU 232 CO 0.01 0.27 0.96 1.07 -1.33 0.00 0.00 177.39 178.37 1pwx n THR 233 N 0.07 0.05 -0.04 -5.08 5.66 0.04 -1.51 114.28 113.46 1pwx n THR 233 Ca 0.10 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1pwx n THR 233 Cb 0.21 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 1pwx n THR 233 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pwx n GLY 234 N 2.77 0.40 3.74 1.09 0.00 0.26 -4.89 105.19 108.56 1pwx n GLY 234 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1pwx n GLY 234 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pwx s GLN 235 N -0.91 4.47 -0.27 1.61 -1.52 -0.57 -4.49 119.66 117.97 1pwx s GLN 235 Ca 0.00 1.91 -0.10 0.00 -1.95 0.00 0.00 55.36 55.22 1pwx s GLN 235 Cb 0.00 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.51 1pwx s GLN 235 CO 0.00 -0.13 0.16 0.08 -0.25 0.00 0.00 175.29 175.15 1pwx s VAL 236 N 0.01 5.00 -0.38 1.09 1.01 -1.26 -2.26 120.40 123.62 1pwx s VAL 236 Ca 0.54 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 1pwx s VAL 236 Cb -0.33 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1pwx s VAL 236 CO 0.37 0.27 0.24 -0.36 0.00 0.00 0.00 175.10 175.61 1pwx s PHE 237 N 1.71 3.24 -0.88 5.22 0.08 0.17 -4.96 117.98 122.57 1pwx s PHE 237 Ca 0.07 -0.73 -0.25 0.00 0.12 0.00 0.00 56.93 56.15 1pwx s PHE 237 Cb -0.16 -2.49 0.04 0.00 -0.57 0.00 0.00 43.02 39.85 1pwx s PHE 237 CO 0.09 -0.58 1.34 -1.58 -0.10 0.00 0.00 175.22 174.38 1pwx s TRP 238 N 1.62 2.45 -1.21 0.36 0.52 -1.26 0.07 118.94 121.48 1pwx s TRP 238 Ca 0.04 -0.49 -0.10 0.00 0.02 0.00 0.00 56.10 55.57 1pwx s TRP 238 Cb -0.19 -4.64 0.20 0.00 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0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pwx n PHE 243 N -1.44 1.48 -3.85 1.61 -0.00 -0.38 -4.09 117.46 110.79 1pwx n PHE 243 Ca 0.00 0.63 -0.34 0.00 -0.00 0.00 0.00 57.45 57.74 1pwx n PHE 243 Cb 0.00 -2.32 -0.05 0.00 -0.00 0.00 0.00 39.48 37.11 1pwx n PHE 243 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1pwx s PRO 244 N -0.39 3.49 -0.29 -7.13 0.04 -1.26 -4.88 135.00 124.58 1pwx s PRO 244 Ca 0.72 -0.21 -0.22 0.00 0.04 0.00 0.00 61.00 61.33 1pwx s PRO 244 Cb -0.81 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.63 1pwx s PRO 244 CO 0.52 0.68 0.73 -1.64 0.04 0.00 0.00 177.00 177.33 1pwx s MET 245 N -1.76 3.99 -0.23 4.56 -1.94 -0.62 -5.01 119.30 118.28 1pwx s MET 245 Ca 0.26 0.54 -0.28 0.00 -1.71 0.00 0.00 55.69 54.50 1pwx s MET 245 Cb -0.13 -3.71 0.01 0.00 2.01 0.00 0.00 34.83 33.01 1pwx s MET 245 CO 0.16 -0.60 1.00 0.42 -0.01 0.00 0.00 175.02 175.99 1pwx s ILE 246 N 2.80 4.71 -0.24 2.53 1.09 -1.26 -4.85 121.20 125.98 1pwx s ILE 246 Ca 0.30 1.95 -0.28 0.00 -1.10 0.00 0.00 60.65 61.52 1pwx s ILE 246 Cb -0.15 -4.28 -0.05 0.00 -1.06 0.00 0.00 42.46 36.93 1pwx s ILE 246 CO 0.11 -0.15 2.20 -0.70 -0.10 0.00 0.00 174.94 176.30 1pwx s GLU 247 N 3.07 3.10 0.90 2.79 2.12 -1.26 -4.96 118.70 124.46 1pwx s GLU 247 Ca 0.43 1.96 -0.12 0.00 0.36 0.00 0.00 54.97 57.59 1pwx s GLU 247 Cb -0.15 -4.37 0.13 0.00 0.26 0.00 0.00 34.13 30.00 1pwx s GLU 247 CO 0.07 -2.14 1.10 1.03 -0.54 0.00 0.00 175.26 174.77 1pwx s ARG 248 N 6.38 1.23 0.80 4.30 0.52 -1.26 -5.00 118.95 125.91 1pwx s ARG 248 Ca 0.99 0.72 -0.14 0.00 -0.52 0.00 0.00 55.73 56.78 1pwx s ARG 248 Cb -0.32 -1.81 0.06 0.00 0.52 0.00 0.00 34.95 33.40 1pwx s ARG 248 CO 0.35 -2.24 1.07 0.91 0.02 0.00 0.00 175.30 175.41 1pwx n TRP 249 N -3.86 0.85 -1.19 -0.53 8.01 -1.26 -4.87 117.44 114.59 1pwx n TRP 249 Ca 0.07 0.39 -0.40 0.00 -1.31 0.00 0.00 57.50 56.25 1pwx n TRP 249 Cb 0.56 -2.07 -0.02 0.00 -2.01 0.00 0.00 31.31 27.78 1pwx n TRP 249 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 1pwx n PRO 250 N -2.82 0.00 0.00 -0.99 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