#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 4.93 0.27 6.66 2.01 -1.26 -1.87 115.64 126.38 1pwx s THR 3 Ca 0.00 0.72 0.06 0.00 0.31 0.00 0.00 61.69 62.79 1pwx s THR 3 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1pwx s THR 3 CO 0.00 -0.20 0.30 0.00 -0.69 0.00 0.00 174.62 174.03 1pwx s ALA 4 N 2.62 3.82 -0.23 7.40 0.00 -0.18 -1.27 121.76 133.91 1pwx s ALA 4 Ca 0.24 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 1pwx s ALA 4 Cb -0.15 -1.47 0.07 0.00 0.00 0.00 0.00 23.12 21.57 1pwx s ALA 4 CO 0.13 0.17 0.03 0.42 0.00 0.00 0.00 175.76 176.51 1pwx s ILE 5 N -2.12 0.86 -0.26 0.00 1.01 0.77 -1.18 121.20 120.28 1pwx s ILE 5 Ca 0.36 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 1pwx s ILE 5 Cb -0.08 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1pwx s ILE 5 CO 0.27 -0.30 0.08 -0.69 0.00 0.00 0.00 174.94 174.30 1pwx s VAL 6 N 1.68 4.28 0.08 2.92 1.01 -0.96 -0.26 120.40 129.16 1pwx s VAL 6 Ca 0.01 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 1pwx s VAL 6 Cb -0.18 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 1pwx s VAL 6 CO -0.12 0.27 0.50 0.42 0.00 0.00 0.00 175.10 176.17 1pwx s THR 7 N 1.60 4.91 -1.26 3.92 -4.23 -1.10 -1.69 115.64 117.79 1pwx s THR 7 Ca 0.06 0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 61.43 1pwx s THR 7 Cb -0.16 -3.75 -0.00 0.00 1.34 0.00 0.00 72.50 69.93 1pwx s THR 7 CO 0.04 0.41 0.82 0.59 -0.54 0.00 0.00 174.62 175.93 1pwx n ASN 8 N 1.28 -1.56 0.12 3.99 3.02 0.25 -4.07 115.26 118.29 1pwx n ASN 8 Ca -0.09 -0.74 0.09 0.00 -0.03 0.00 0.00 54.58 53.80 1pwx n ASN 8 Cb 0.52 -4.47 0.46 0.00 -0.61 0.00 0.00 39.78 35.67 1pwx n ASN 8 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1pwx n VAL 9 N -4.20 1.20 0.46 2.41 3.14 -0.97 -1.42 118.33 118.94 1pwx n VAL 9 Ca -0.29 0.62 0.12 0.00 -2.96 0.00 0.00 64.34 61.83 1pwx n VAL 9 Cb 0.67 -1.61 0.17 0.00 -1.06 0.00 0.00 33.84 32.02 1pwx n VAL 9 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1pwx h LYS 10 N 0.00 0.00 -5.11 1.45 1.57 -1.88 0.72 116.57 113.32 1pwx h LYS 10 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1pwx h LYS 10 Cb 0.05 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.22 1pwx h LYS 10 CO 0.00 0.00 -0.55 -1.01 -0.57 0.00 0.00 179.45 177.32 1pwx s HIS 11 N -3.20 1.84 0.00 -1.35 3.76 -0.51 -4.57 115.29 111.27 1pwx s HIS 11 Ca 0.06 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 53.82 1pwx s HIS 11 Cb 0.12 -1.21 0.00 0.00 1.11 0.00 0.00 32.58 32.59 1pwx s HIS 11 CO 0.71 -0.16 0.00 0.34 -0.85 0.00 0.00 174.74 174.78 1pwx n PHE 12 N -0.83 0.00 0.21 1.40 7.35 -0.45 0.30 117.46 125.45 1pwx n PHE 12 Ca -0.05 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.75 1pwx n PHE 12 Cb 0.66 0.00 0.27 0.00 0.35 0.00 0.00 39.48 40.76 1pwx n PHE 12 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pwx n GLY 13 N 0.00 1.74 0.23 7.13 0.00 -1.26 -4.61 105.19 108.42 1pwx n GLY 13 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 4.62 -0.74 1.59 -0.02 0.00 -0.27 -1.42 103.07 106.83 1pwx h GLY 14 Ca 0.00 0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.69 1pwx h GLY 14 CO 0.00 -0.26 0.15 -0.33 0.00 0.00 0.00 176.54 176.11 1pwx h MET 15 N -0.53 0.00 0.05 4.80 2.86 -1.01 -1.52 114.93 119.58 1pwx h MET 15 Ca -0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1pwx h MET 15 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1pwx h MET 15 CO 0.05 0.00 -0.02 0.78 1.06 0.00 0.00 176.91 178.78 1pwx h GLY 16 N 0.00 -0.07 0.00 8.32 0.00 -1.81 -2.99 103.07 106.52 1pwx h GLY 16 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1pwx h GLY 16 CO -0.00 -0.03 0.00 1.44 0.00 0.00 0.00 176.54 177.95 1pwx n SER 17 N -4.81 0.00 -0.32 0.19 7.64 -0.55 -2.80 113.62 112.97 1pwx n SER 17 Ca -0.08 0.93 0.04 0.00 1.01 0.00 0.00 58.87 60.76 1pwx n SER 17 Cb 0.31 -0.43 0.11 0.00 -1.01 0.00 0.00 64.21 63.20 1pwx n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pwx h ALA 18 N -1.98 0.55 -0.33 -0.43 0.00 -1.47 0.90 119.26 116.50 1pwx h ALA 18 Ca 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1pwx h ALA 18 Cb 0.00 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1pwx h ALA 18 CO 0.00 -0.41 -0.01 1.25 0.00 0.00 0.00 179.25 180.07 1pwx h LEU 19 N -0.00 0.48 0.00 0.00 5.85 -1.63 0.28 115.31 120.29 1pwx h LEU 19 Ca 0.42 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1pwx h LEU 19 Cb 0.65 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1pwx h LEU 19 CO -0.93 0.56 -0.78 -1.14 -0.34 0.00 0.00 178.44 175.80 1pwx n ARG 20 N -4.28 0.21 0.14 1.25 3.00 -0.09 -1.40 116.66 115.50 1pwx n ARG 20 Ca 0.01 0.02 -0.23 0.00 -0.00 0.00 0.00 57.85 57.65 1pwx n ARG 20 Cb 0.25 -1.59 -0.16 0.00 0.00 0.00 0.00 32.46 30.96 1pwx n ARG 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1pwx h LEU 21 N 0.00 0.78 -0.42 6.15 5.85 0.14 -2.17 115.31 125.64 1pwx h LEU 21 Ca 0.00 -0.84 -0.11 0.00 0.84 0.00 0.00 57.88 57.77 1pwx h LEU 21 Cb 0.67 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1pwx h LEU 21 CO 0.00 1.65 -0.53 -1.28 -0.34 0.00 0.00 178.44 177.95 1pwx h SER 22 N 0.14 0.00 -0.28 1.25 0.87 -0.52 -2.33 113.55 112.68 1pwx h SER 22 Ca -0.24 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.26 1pwx h SER 22 Cb 2.14 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 64.08 1pwx h SER 22 CO 0.27 0.53 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.74 1pwx h GLU 23 N 0.00 0.62 -0.51 2.24 3.07 -1.10 -2.73 114.58 116.17 1pwx h GLU 23 Ca -0.01 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 1pwx h GLU 23 Cb 1.23 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1pwx h GLU 23 CO 0.07 0.66 0.00 0.00 -1.40 0.00 0.00 179.01 178.34 1pwx n ALA 24 N -2.48 2.69 0.00 3.43 0.00 -0.83 -4.93 120.51 118.39 1pwx n ALA 24 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1pwx n ALA 24 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.85 1.85 3.74 0.00 0.00 -1.03 -5.01 105.19 105.58 1pwx n GLY 25 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.01 2.17 -0.52 1.61 4.02 -0.88 -4.68 115.29 115.01 1pwx s HIS 26 Ca 0.00 1.50 -0.21 0.00 1.02 0.00 0.00 55.06 57.37 1pwx s HIS 26 Cb 0.00 -3.62 0.05 0.00 -1.02 0.00 0.00 32.58 27.99 1pwx s HIS 26 CO 0.00 -2.69 0.76 0.99 1.02 0.00 0.00 174.74 174.82 1pwx s THR 27 N -1.49 4.67 -0.47 1.30 2.01 -0.78 -4.27 115.64 116.60 1pwx s THR 27 Ca 0.81 -0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.50 1pwx s THR 27 Cb -0.35 -4.39 0.05 0.00 0.01 0.00 0.00 72.50 67.82 1pwx s THR 27 CO 0.38 -0.92 0.56 -0.69 -0.69 0.00 0.00 174.62 173.26 1pwx s VAL 28 N 3.20 4.95 0.28 3.82 1.01 -1.26 -1.01 120.40 131.39 1pwx s VAL 28 Ca 0.22 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 1pwx s VAL 28 Cb -0.16 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.92 1pwx s VAL 28 CO 0.16 -0.67 0.98 0.00 0.00 0.00 0.00 175.10 175.57 1pwx s ALA 29 N 2.44 3.30 -0.21 5.51 0.00 -0.33 -0.81 121.76 131.66 1pwx s ALA 29 Ca 0.14 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 52.76 1pwx s ALA 29 Cb -0.19 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.76 1pwx s ALA 29 CO 0.13 0.09 -0.04 0.00 0.00 0.00 0.00 175.76 175.94 1pwx s HIS 31 N 1.53 3.63 -0.28 0.00 5.65 -0.68 -0.55 115.29 124.59 1pwx s HIS 31 Ca -0.03 0.90 -0.24 0.00 0.25 0.00 0.00 55.06 55.94 1pwx s HIS 31 Cb -0.18 -2.24 0.10 0.00 -1.18 0.00 0.00 32.58 29.09 1pwx s HIS 31 CO -0.07 0.54 0.91 0.34 -0.65 0.00 0.00 174.74 175.81 1pwx s ASP 32 N -1.55 -0.57 0.60 9.88 3.68 -1.26 0.84 116.67 128.28 1pwx s ASP 32 Ca 0.31 1.09 0.35 0.00 2.13 0.00 0.00 52.55 56.43 1pwx s ASP 32 Cb -0.15 1.11 1.94 0.00 -1.45 0.00 0.00 42.92 44.38 1pwx s ASP 32 CO 0.17 -0.19 2.25 1.05 0.13 0.00 0.00 175.17 178.58 1pwx h GLU 33 N 4.67 0.00 0.00 4.34 -0.00 -1.96 -0.83 114.58 120.80 1pwx h GLU 33 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 1pwx h GLU 33 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.92 1pwx h GLU 33 CO 0.09 0.02 0.00 -1.13 -0.00 0.00 0.00 179.01 178.00 1pwx n SER 34 N -3.51 0.75 -0.55 3.06 3.41 -1.26 -3.01 113.62 112.53 1pwx n SER 34 Ca -0.03 0.62 0.03 0.00 -0.26 0.00 0.00 58.87 59.23 1pwx n SER 34 Cb 0.12 -0.80 0.09 0.00 -0.26 0.00 0.00 64.21 63.36 1pwx n SER 34 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1pwx n PHE 35 N -2.26 0.36 0.08 7.33 0.99 -0.32 -3.13 117.46 120.51 1pwx n PHE 35 Ca 0.04 -0.15 -0.07 0.00 -0.00 0.00 0.00 57.45 57.27 1pwx n PHE 35 Cb 0.34 -0.08 -0.08 0.00 -1.00 0.00 0.00 39.48 38.66 1pwx n PHE 35 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 1pwx h LYS 36 N 1.09 0.03 -5.90 -1.08 1.79 -1.71 -3.37 116.57 107.43 1pwx h LYS 36 Ca 0.00 -0.05 -0.60 0.00 -2.18 0.00 0.00 60.65 57.82 1pwx h LYS 36 Cb 0.49 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.07 1pwx h LYS 36 CO 0.05 0.96 0.51 -0.65 -1.08 0.00 0.00 179.45 179.24 1pwx s GLN 37 N -2.86 4.00 0.57 3.15 1.11 -1.18 -4.91 119.66 119.55 1pwx s GLN 37 Ca 0.00 0.73 0.36 0.00 0.01 0.00 0.00 55.36 56.46 1pwx s GLN 37 Cb 0.10 -3.72 1.44 0.00 -1.01 0.00 0.00 33.01 29.81 1pwx s GLN 37 CO 0.82 -0.72 1.65 1.57 0.01 0.00 0.00 175.29 178.62 1pwx h LYS 38 N 8.07 0.00 0.74 2.91 -0.00 -1.89 -0.30 116.57 126.10 1pwx h LYS 38 Ca -0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.38 1pwx h LYS 38 Cb 1.09 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.32 1pwx h LYS 38 CO 0.92 0.00 -0.35 0.38 -0.00 0.00 0.00 179.45 180.40 1pwx h ASP 39 N 0.00 -0.84 -0.77 7.07 2.03 -1.91 -3.26 116.42 118.75 1pwx h ASP 39 Ca 0.57 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.90 1pwx h ASP 39 Cb 2.56 0.22 -0.04 0.00 -0.83 0.00 0.00 39.33 41.24 1pwx h ASP 39 CO -0.01 -0.52 0.50 -0.33 -1.03 0.00 0.00 179.24 177.85 1pwx h GLU 40 N -1.14 1.02 -0.06 4.15 4.39 -1.25 -2.05 114.58 119.64 1pwx h GLU 40 Ca -0.10 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1pwx h GLU 40 Cb 0.76 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1pwx h GLU 40 CO 0.17 0.68 0.19 1.25 -1.16 0.00 0.00 179.01 180.14 1pwx h LEU 41 N 1.04 0.00 0.00 1.33 6.46 -1.59 0.28 115.31 122.83 1pwx h LEU 41 Ca 0.28 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.88 1pwx h LEU 41 Cb -0.10 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 1pwx h LEU 41 CO -0.06 0.00 -1.84 -0.62 -0.62 0.00 0.00 178.44 175.30 1pwx n GLU 42 N -3.21 0.65 0.33 1.25 1.02 -0.82 -3.73 120.64 116.13 1pwx n GLU 42 Ca -0.01 0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 57.00 1pwx n GLU 42 Cb 0.26 -1.64 -0.08 0.00 -0.02 0.00 0.00 31.44 29.97 1pwx n GLU 42 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pwx h ALA 43 N 1.53 -0.86 -0.98 0.62 0.00 -0.45 -2.90 119.26 116.22 1pwx h ALA 43 Ca -0.21 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1pwx h ALA 43 Cb 1.54 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.61 1pwx h ALA 43 CO 0.02 -0.85 0.64 0.35 0.00 0.00 0.00 179.25 179.41 1pwx h PHE 44 N -1.13 1.17 -0.88 0.00 3.57 -1.71 -2.45 116.94 115.51 1pwx h PHE 44 Ca -0.09 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.48 1pwx h PHE 44 Cb 0.70 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 1pwx h PHE 44 CO 0.00 0.64 0.58 0.00 -2.23 0.00 0.00 178.31 177.29 1pwx h ALA 45 N 1.46 1.46 -0.39 2.41 0.00 -1.64 -0.60 119.26 121.95 1pwx h ALA 45 Ca 0.41 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 1pwx h ALA 45 Cb 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1pwx h ALA 45 CO -0.15 0.45 -0.05 1.05 0.00 0.00 0.00 179.25 180.55 1pwx h GLU 46 N 1.09 0.65 -0.15 0.00 -0.00 -1.22 -2.58 114.58 112.36 1pwx h GLU 46 Ca 0.35 -0.18 -0.14 0.00 -0.00 0.00 0.00 59.36 59.39 1pwx h GLU 46 Cb 0.04 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 28.70 1pwx h GLU 46 CO -0.11 0.71 -0.52 1.15 -0.00 0.00 0.00 179.01 180.24 1pwx h THR 47 N 0.61 1.33 -2.96 -1.06 2.02 -1.10 -3.41 112.91 108.33 1pwx h THR 47 Ca 0.12 -1.77 -0.56 0.00 0.77 0.00 0.00 66.41 64.96 1pwx h THR 47 Cb 0.46 1.79 -0.40 0.00 -1.74 0.00 0.00 68.15 68.26 1pwx h THR 47 CO 0.02 0.54 -0.77 -0.31 0.37 0.00 0.00 175.52 175.37 1pwx s TYR 48 N -3.99 1.06 -1.02 3.16 1.51 -0.36 -5.00 117.35 112.70 1pwx s TYR 48 Ca -0.06 -1.38 0.23 0.00 -1.01 0.00 0.00 57.07 54.85 1pwx s TYR 48 Cb 0.12 -1.33 0.99 0.00 -0.11 0.00 0.00 41.96 41.63 1pwx s TYR 48 CO 0.82 -0.85 1.73 -0.35 -1.11 0.00 0.00 175.55 175.79 1pwx n PRO 49 N 4.95 0.02 0.00 -1.71 -0.04 -1.22 -2.94 135.00 134.06 1pwx n PRO 49 Ca -0.03 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1pwx n PRO 49 Cb 0.42 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.65 1pwx n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pwx n GLN 50 N -1.49 0.49 -4.03 0.54 0.00 -1.26 -4.89 117.38 106.73 1pwx n GLN 50 Ca 0.06 -0.30 -0.26 0.00 0.00 0.00 0.00 57.00 56.49 1pwx n GLN 50 Cb 0.26 -1.49 -0.05 0.00 0.00 0.00 0.00 30.24 28.96 1pwx n GLN 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1pwx s LEU 51 N -2.72 3.99 -0.48 2.61 1.43 -1.15 -4.42 118.68 117.94 1pwx s LEU 51 Ca 0.18 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1pwx s LEU 51 Cb 0.18 -2.59 0.14 0.00 0.03 0.00 0.00 46.19 43.96 1pwx s LEU 51 CO 0.61 0.07 0.27 -0.54 0.23 0.00 0.00 176.35 176.99 1pwx s LYS 52 N -3.12 1.55 0.20 1.70 -0.14 0.01 -5.00 119.74 114.94 1pwx s LYS 52 Ca 0.32 -2.28 -0.31 0.00 -1.36 0.00 0.00 55.97 52.34 1pwx s LYS 52 Cb -0.10 -2.64 -0.10 0.00 -1.68 0.00 0.00 37.83 33.30 1pwx s LYS 52 CO 0.25 -1.17 1.57 -1.25 -0.76 0.00 0.00 175.35 173.99 1pwx s PRO 53 N 0.02 4.20 0.13 -1.68 0.04 -1.26 -0.54 135.00 135.92 1pwx s PRO 53 Ca 0.19 2.40 0.05 0.00 0.04 0.00 0.00 61.00 63.69 1pwx s PRO 53 Cb -0.22 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1pwx s PRO 53 CO -0.02 -0.59 0.04 -1.64 0.04 0.00 0.00 177.00 174.83 1pwx s MET 54 N 0.68 2.62 0.09 4.56 -1.94 0.29 -4.80 119.30 120.79 1pwx s MET 54 Ca 0.68 -0.91 0.19 0.00 -1.71 0.00 0.00 55.69 53.94 1pwx s MET 54 Cb -0.45 -2.53 -0.12 0.00 2.01 0.00 0.00 34.83 33.75 1pwx s MET 54 CO 0.35 0.50 0.82 -1.13 -0.01 0.00 0.00 175.02 175.56 1pwx n SER 55 N 0.14 0.71 -4.68 3.03 3.41 -1.26 -4.53 113.62 110.44 1pwx n SER 55 Ca -0.10 0.30 -0.44 0.00 -0.26 0.00 0.00 58.87 58.37 1pwx n SER 55 Cb 0.53 0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 1pwx n SER 55 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pwx n GLU 56 N -2.73 2.65 -0.05 4.33 4.71 -1.26 -4.36 120.64 123.94 1pwx n GLU 56 Ca -0.07 0.97 -0.18 0.00 -0.01 0.00 0.00 57.16 57.87 1pwx n GLU 56 Cb 0.72 -2.86 -0.14 0.00 -1.01 0.00 0.00 31.44 28.16 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 6.04 0.71 -2.37 3.49 1.13 -1.26 -4.77 117.38 120.34 1pwx n GLN 57 Ca 0.19 0.21 -0.40 0.00 -1.94 0.00 0.00 57.00 55.06 1pwx n GLN 57 Cb 0.36 -1.65 -0.04 0.00 0.11 0.00 0.00 30.24 29.03 1pwx n GLN 57 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1pwx s GLU 58 N -2.55 4.52 0.14 -1.09 0.41 -1.26 -4.91 118.70 113.96 1pwx s GLU 58 Ca -0.23 1.90 -0.28 0.00 -0.41 0.00 0.00 54.97 55.95 1pwx s GLU 58 Cb 0.07 -3.11 -0.02 0.00 -1.78 0.00 0.00 34.13 29.30 1pwx s GLU 58 CO 0.73 0.07 1.58 -1.35 -0.49 0.00 0.00 175.26 175.79 1pwx h PRO 59 N 3.59 -0.37 -0.28 0.39 0.11 -1.94 0.35 132.00 133.83 1pwx h PRO 59 Ca -0.47 0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1pwx h PRO 59 Cb 1.22 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1pwx h PRO 59 CO 0.66 -0.25 -0.43 0.00 -0.21 0.00 0.00 178.00 177.77 1pwx h ALA 60 N 0.32 0.44 -0.62 -0.75 0.00 -1.92 -2.18 119.26 114.54 1pwx h ALA 60 Ca 0.11 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1pwx h ALA 60 Cb 0.60 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1pwx h ALA 60 CO -0.50 0.57 0.07 1.05 0.00 0.00 0.00 179.25 180.44 1pwx h GLU 61 N 0.56 1.04 0.51 0.00 4.11 -1.92 0.36 114.58 119.23 1pwx h GLU 61 Ca 0.03 -0.28 -0.02 0.00 0.07 0.00 0.00 59.36 59.15 1pwx h GLU 61 Cb 1.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1pwx h GLU 61 CO 0.10 0.97 -0.24 1.25 0.07 0.00 0.00 179.01 181.16 1pwx h LEU 62 N 0.97 -0.58 -1.03 3.06 5.85 -0.33 0.69 115.31 123.94 1pwx h LEU 62 Ca 0.19 0.02 0.19 0.00 0.84 0.00 0.00 57.88 59.12 1pwx h LEU 62 Cb 0.46 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.53 1pwx h LEU 62 CO 0.02 -0.36 0.61 0.40 -0.34 0.00 0.00 178.44 178.77 1pwx h ILE 63 N -0.79 0.71 -0.49 4.05 1.08 -1.35 0.37 117.51 121.10 1pwx h ILE 63 Ca -0.07 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1pwx h ILE 63 Cb 0.52 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 1pwx h ILE 63 CO 0.11 0.14 0.31 -0.33 -0.69 0.00 0.00 178.15 177.69 1pwx h GLU 64 N 0.76 0.65 -0.09 2.37 3.07 -0.02 -0.67 114.58 120.65 1pwx h GLU 64 Ca 0.57 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.38 1pwx h GLU 64 Cb 0.89 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1pwx h GLU 64 CO -0.37 0.45 0.03 0.00 -1.40 0.00 0.00 179.01 177.73 1pwx h ALA 65 N 1.16 0.11 0.00 3.43 0.00 0.43 -1.24 119.26 123.15 1pwx h ALA 65 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1pwx h ALA 65 Cb -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1pwx h ALA 65 CO -0.04 -0.29 -0.17 0.28 0.00 0.00 0.00 179.25 179.04 1pwx h VAL 66 N -0.03 0.97 -0.09 0.00 2.07 -0.70 0.44 116.25 118.89 1pwx h VAL 66 Ca 0.03 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1pwx h VAL 66 Cb 0.19 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1pwx h VAL 66 CO -0.00 0.17 -0.05 0.74 0.02 0.00 0.00 177.57 178.44 1pwx h THR 67 N 0.00 1.33 0.00 2.57 2.02 -0.71 0.15 112.91 118.27 1pwx h THR 67 Ca -0.00 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1pwx h THR 67 Cb 0.33 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1pwx h THR 67 CO 0.02 0.30 0.00 -1.28 0.37 0.00 0.00 175.52 174.94 1pwx h SER 68 N -0.17 0.00 0.18 4.18 0.87 -0.86 -2.60 113.55 115.15 1pwx h SER 68 Ca 0.02 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.23 1pwx h SER 68 Cb 0.51 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1pwx h SER 68 CO 0.01 0.00 -1.99 0.00 -0.53 0.00 0.00 176.83 174.32 1pwx n ALA 69 N -2.05 1.06 -2.14 6.23 0.00 0.15 -4.69 120.51 119.08 1pwx n ALA 69 Ca 0.03 -0.68 0.05 0.00 0.00 0.00 0.00 53.44 52.83 1pwx n ALA 69 Cb 0.44 -0.66 0.08 0.00 0.00 0.00 0.00 19.45 19.31 1pwx n ALA 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pwx n TYR 70 N -3.36 0.00 0.00 0.00 4.01 0.53 -5.03 117.16 113.31 1pwx n TYR 70 Ca -0.30 -0.78 0.00 0.00 -0.16 0.00 0.00 57.90 56.66 1pwx n TYR 70 Cb 1.05 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 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 -0.09 2.35 0.55 2.72 0.00 -0.98 -4.88 105.19 104.86 1pwx n GLY 71 Ca 0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 1pwx n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwx n GLN 72 N 0.00 0.13 -3.80 1.61 10.64 -1.25 -4.81 117.38 119.90 1pwx n GLN 72 Ca 0.00 -0.27 -0.30 0.00 -1.83 0.00 0.00 57.00 54.60 1pwx n GLN 72 Cb 0.00 0.35 -0.15 0.00 -0.86 0.00 0.00 30.24 29.58 1pwx n GLN 72 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1pwx s VAL 73 N -2.69 1.27 -0.02 -0.39 1.01 -1.26 -4.42 120.40 113.89 1pwx s VAL 73 Ca 0.03 -1.75 -0.15 0.00 0.00 0.00 0.00 61.98 60.10 1pwx s VAL 73 Cb -0.01 -1.94 -0.33 0.00 0.00 0.00 0.00 36.38 34.10 1pwx s VAL 73 CO 0.01 -0.68 0.83 0.44 0.00 0.00 0.00 175.10 175.70 1pwx h ASP 74 N 7.82 0.67 -3.58 3.32 5.19 -1.57 -3.47 116.42 124.81 1pwx h ASP 74 Ca -0.10 -0.92 -0.49 0.00 -0.62 0.00 0.00 57.03 54.90 1pwx h ASP 74 Cb 1.01 -0.22 -0.33 0.00 0.18 0.00 0.00 39.33 39.97 1pwx h ASP 74 CO 0.49 1.68 -0.81 -0.69 -3.12 0.00 0.00 179.24 176.79 1pwx s VAL 75 N -2.55 1.02 -0.17 -1.35 1.01 -0.93 -1.58 120.40 115.85 1pwx s VAL 75 Ca -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1pwx s VAL 75 Cb 0.04 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1pwx s VAL 75 CO 0.88 0.32 -0.17 -0.22 0.00 0.00 0.00 175.10 175.91 1pwx s LEU 76 N 0.50 2.30 -0.52 3.92 2.96 -0.58 -0.17 118.68 127.10 1pwx s LEU 76 Ca -0.10 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1pwx s LEU 76 Cb -0.13 -1.53 0.14 0.00 0.50 0.00 0.00 46.19 45.17 1pwx s LEU 76 CO 0.02 0.03 0.33 -0.69 -1.32 0.00 0.00 176.35 174.72 1pwx s VAL 77 N 1.13 3.49 -1.34 1.68 1.01 0.65 -0.30 120.40 126.71 1pwx s VAL 77 Ca 0.01 -2.54 -0.17 0.00 0.00 0.00 0.00 61.98 59.28 1pwx s VAL 77 Cb -0.14 -3.33 0.04 0.00 0.00 0.00 0.00 36.38 32.95 1pwx s VAL 77 CO -0.07 -0.79 1.95 -0.24 0.00 0.00 0.00 175.10 175.95 1pwx n SER 78 N 4.01 4.35 -3.78 3.32 2.88 0.37 -2.69 113.62 122.08 1pwx n SER 78 Ca 0.03 -2.87 -0.42 0.00 -1.33 0.00 0.00 58.87 54.28 1pwx n SER 78 Cb 0.39 -1.69 -0.02 0.00 -0.75 0.00 0.00 64.21 62.14 1pwx n SER 78 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1pwx n ASN 79 N 7.68 3.41 -4.79 -3.46 5.15 -1.26 -1.77 115.26 120.23 1pwx n ASN 79 Ca 0.50 -2.78 -0.35 0.00 -0.60 0.00 0.00 54.58 51.35 1pwx n ASN 79 Cb 0.43 -1.47 -0.02 0.00 -0.53 0.00 0.00 39.78 38.19 1pwx n ASN 79 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1pwx s ASP 80 N 4.05 6.27 0.17 1.20 1.01 -1.24 -4.52 116.67 123.60 1pwx s ASP 80 Ca 0.52 2.05 -0.02 0.00 0.71 0.00 0.00 52.55 55.81 1pwx s ASP 80 Cb 0.13 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1pwx s ASP 80 CO 0.01 -0.84 0.11 0.27 0.21 0.00 0.00 175.17 174.93 1pwx s ILE 81 N -1.82 0.05 -0.23 0.77 -4.36 -1.26 -4.88 121.20 109.47 1pwx s ILE 81 Ca 0.66 -1.90 -0.29 0.00 -0.26 0.00 0.00 60.65 58.86 1pwx s ILE 81 Cb -0.20 -2.23 0.15 0.00 1.25 0.00 0.00 42.46 41.43 1pwx s ILE 81 CO 0.24 -0.24 1.16 0.12 0.24 0.00 0.00 174.94 176.47 1pwx s PHE 82 N -4.09 -0.24 -0.80 1.37 2.19 -1.26 -4.55 117.98 110.60 1pwx s PHE 82 Ca 0.30 0.44 0.02 0.00 0.33 0.00 0.00 56.93 58.02 1pwx s PHE 82 Cb 0.07 0.46 0.23 0.00 -1.31 0.00 0.00 43.02 42.47 1pwx s PHE 82 CO 0.06 -0.20 0.79 0.00 1.83 0.00 0.00 175.22 177.71 1pwx n ALA 83 N 0.86 3.97 -1.00 11.12 0.00 -1.26 -5.04 120.51 129.15 1pwx n ALA 83 Ca -0.07 -4.66 0.00 0.00 0.00 0.00 0.00 53.44 48.71 1pwx n ALA 83 Cb 0.58 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1pwx n ALA 83 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pwx n PRO 84 N 1.66 0.00 0.00 0.00 -0.04 -1.26 -5.10 135.00 130.26 1pwx n PRO 84 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1pwx n PRO 84 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1pwx n PRO 84 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pwx n GLU 85 N 0.00 0.00 -3.28 0.54 1.02 -1.26 -5.08 120.64 112.57 1pwx n GLU 85 Ca 0.00 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.68 1pwx n GLU 85 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1pwx n GLU 85 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1pwx s PHE 86 N -2.00 3.34 0.05 -0.32 0.08 -1.26 -4.63 117.98 113.25 1pwx s PHE 86 Ca 0.00 -1.42 0.05 0.00 0.12 0.00 0.00 56.93 55.67 1pwx s PHE 86 Cb 0.00 -3.84 -0.02 0.00 -0.57 0.00 0.00 43.02 38.59 1pwx s PHE 86 CO 0.00 -1.05 -0.13 -1.14 -0.10 0.00 0.00 175.22 172.79 1pwx s GLN 87 N 1.40 0.84 0.22 0.44 2.00 -0.96 -4.99 119.66 118.61 1pwx s GLN 87 Ca 0.08 -0.81 -0.30 0.00 -2.00 0.00 0.00 55.36 52.33 1pwx s GLN 87 Cb -0.24 -0.83 -0.08 0.00 0.80 0.00 0.00 33.01 32.66 1pwx s GLN 87 CO 0.00 0.19 1.01 -2.14 -0.50 0.00 0.00 175.29 173.85 1pwx s PRO 88 N -1.36 4.74 0.08 1.67 0.02 -1.26 -4.06 135.00 134.83 1pwx s PRO 88 Ca -0.01 1.60 -0.04 0.00 0.02 0.00 0.00 61.00 62.57 1pwx s PRO 88 Cb -0.09 -3.27 0.11 0.00 0.02 0.00 0.00 34.50 31.27 1pwx s PRO 88 CO 0.01 0.33 0.49 1.51 -0.33 0.00 0.00 177.00 179.02 1pwx n ILE 89 N 1.75 -0.15 1.13 2.83 0.13 -1.26 0.23 119.36 124.02 1pwx n ILE 89 Ca -0.00 0.74 0.12 0.00 -1.10 0.00 0.00 62.75 62.50 1pwx n ILE 89 Cb 0.47 -0.99 0.61 0.00 -0.84 0.00 0.00 39.64 38.88 1pwx n ILE 89 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 1pwx n ASP 90 N -4.49 0.00 -0.47 9.51 5.75 -1.26 -3.09 116.55 122.50 1pwx n ASP 90 Ca 0.04 -0.03 0.13 0.00 -0.01 0.00 0.00 54.79 54.91 1pwx n ASP 90 Cb 0.14 -0.30 0.29 0.00 -1.03 0.00 0.00 41.12 40.22 1pwx n ASP 90 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1pwx n LYS 91 N -1.30 1.36 -3.65 0.11 4.76 0.63 -4.87 118.16 115.20 1pwx n LYS 91 Ca 0.11 -0.94 -0.26 0.00 -2.87 0.00 0.00 58.31 54.35 1pwx n LYS 91 Cb 0.20 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 1pwx n LYS 91 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1pwx s TYR 92 N -2.29 3.48 0.40 2.13 1.51 -1.18 -4.87 117.35 116.53 1pwx s TYR 92 Ca 0.27 0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 56.63 1pwx s TYR 92 Cb 0.20 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1pwx s TYR 92 CO 0.45 0.33 0.64 0.00 -1.11 0.00 0.00 175.55 175.86 1pwx s ALA 93 N -1.98 3.58 -0.47 3.71 0.00 -1.26 -4.94 121.76 120.40 1pwx s ALA 93 Ca 0.38 -0.73 0.24 0.00 0.00 0.00 0.00 51.96 51.85 1pwx s ALA 93 Cb -0.10 -2.31 0.99 0.00 0.00 0.00 0.00 23.12 21.70 1pwx s ALA 93 CO 0.30 -0.14 1.73 0.28 0.00 0.00 0.00 175.76 177.94 1pwx n VAL 94 N -1.93 0.81 0.05 0.00 0.31 -1.26 -1.60 118.33 114.71 1pwx n VAL 94 Ca -0.03 0.20 -0.08 0.00 -0.01 0.00 0.00 64.34 64.43 1pwx n VAL 94 Cb 0.56 -1.14 0.07 0.00 -0.91 0.00 0.00 33.84 32.41 1pwx n VAL 94 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1pwx h GLU 95 N 0.00 0.39 -0.56 5.55 3.07 -2.00 -3.04 114.58 117.99 1pwx h GLU 95 Ca 0.00 -0.28 -0.04 0.00 -0.50 0.00 0.00 59.36 58.55 1pwx h GLU 95 Cb 0.39 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 1pwx h GLU 95 CO 0.00 0.90 0.19 -0.44 -1.40 0.00 0.00 179.01 178.26 1pwx h ASP 96 N 0.28 0.75 -0.05 1.42 5.19 -1.67 -1.98 116.42 120.36 1pwx h ASP 96 Ca -0.01 -0.11 -0.22 0.00 -0.62 0.00 0.00 57.03 56.07 1pwx h ASP 96 Cb 1.18 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 40.50 1pwx h ASP 96 CO 0.11 0.70 -0.82 0.22 -3.12 0.00 0.00 179.24 176.33 1pwx h TYR 97 N 0.80 0.98 0.18 4.55 3.20 -1.57 -2.67 116.97 122.46 1pwx h TYR 97 Ca 0.19 -0.45 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1pwx h TYR 97 Cb 0.20 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1pwx h TYR 97 CO 0.01 1.27 -0.33 0.00 -1.64 0.00 0.00 178.16 177.48 1pwx h ARG 98 N 0.47 -0.53 -0.93 1.82 2.47 -1.37 -0.10 114.38 116.22 1pwx h ARG 98 Ca -0.06 0.04 0.19 0.00 -1.26 0.00 0.00 59.98 58.88 1pwx h ARG 98 Cb 1.44 0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 29.80 1pwx h ARG 98 CO 0.16 -0.35 0.60 0.78 0.56 0.00 0.00 179.97 181.72 1pwx h GLY 99 N -0.55 1.18 1.19 0.04 0.00 -1.43 0.34 103.07 103.85 1pwx h GLY 99 Ca -0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1pwx h GLY 99 CO -0.12 -0.00 0.14 0.00 0.00 0.00 0.00 176.54 176.56 1pwx h ALA 100 N 1.61 1.06 0.02 3.60 0.00 -1.01 0.12 119.26 124.66 1pwx h ALA 100 Ca 0.50 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 1pwx h ALA 100 Cb 1.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1pwx h ALA 100 CO -0.24 0.62 -0.96 0.28 0.00 0.00 0.00 179.25 178.95 1pwx h VAL 101 N 0.95 1.45 0.00 0.00 2.07 0.12 -1.86 116.25 118.99 1pwx h VAL 101 Ca 0.20 -2.61 -0.07 0.00 0.82 0.00 0.00 66.70 65.04 1pwx h VAL 101 Cb 0.35 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1pwx h VAL 101 CO 0.00 0.77 -0.34 -0.08 0.02 0.00 0.00 177.57 177.94 1pwx h GLU 102 N 0.16 0.00 0.00 1.57 4.57 -0.20 1.08 114.58 121.76 1pwx h GLU 102 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1pwx h GLU 102 Cb 1.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 1pwx h GLU 102 CO 0.16 0.34 0.00 0.00 -1.18 0.00 0.00 179.01 178.33 1pwx n ALA 103 N -2.27 0.00 0.33 2.92 0.00 0.39 -2.57 120.51 119.31 1pwx n ALA 103 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1pwx n ALA 103 Cb 0.51 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.84 1pwx n ALA 103 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pwx h LEU 104 N 0.00 0.00 0.00 0.00 3.38 -1.51 -3.20 115.31 113.98 1pwx h LEU 104 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1pwx h LEU 104 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1pwx h LEU 104 CO 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 178.44 177.85 1pwx n GLN 105 N -2.88 0.10 -0.18 1.13 6.02 -0.67 -4.51 117.38 116.38 1pwx n GLN 105 Ca -0.02 0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 56.94 1pwx n GLN 105 Cb 0.30 -0.67 0.09 0.00 1.02 0.00 0.00 30.24 30.98 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 -0.17 1.26 0.63 5.09 1.08 0.11 -3.04 117.51 122.46 1pwx h ILE 106 Ca -0.06 -1.05 -0.03 0.00 -0.39 0.00 0.00 64.86 63.33 1pwx h ILE 106 Cb 0.60 0.76 0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1pwx h ILE 106 CO -0.03 0.38 -0.30 -0.09 -0.69 0.00 0.00 178.15 177.42 1pwx h ARG 107 N 0.91 -0.82 -0.96 2.37 9.65 -1.48 0.37 114.38 124.42 1pwx h ARG 107 Ca 0.18 0.06 0.20 0.00 -1.10 0.00 0.00 59.98 59.31 1pwx h ARG 107 Cb 0.47 0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 29.15 1pwx h ARG 107 CO 0.02 -0.52 0.61 -1.00 2.80 0.00 0.00 179.97 181.88 1pwx h PRO 108 N -0.92 0.54 -0.22 0.20 0.13 -1.76 0.19 132.00 130.17 1pwx h PRO 108 Ca -0.09 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 64.83 1pwx h PRO 108 Cb 0.67 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 1pwx h PRO 108 CO 0.14 0.36 -0.59 0.35 -0.23 0.00 0.00 178.00 178.03 1pwx h PHE 109 N 0.56 0.89 0.00 1.56 3.04 -1.36 -2.12 116.94 119.50 1pwx h PHE 109 Ca 0.52 -0.33 -0.03 0.00 3.98 0.00 0.00 57.97 62.11 1pwx h PHE 109 Cb 1.09 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.43 1pwx h PHE 109 CO -0.00 1.11 -0.14 0.00 -2.02 0.00 0.00 178.31 177.26 1pwx h ALA 110 N 0.81 1.68 0.02 2.41 0.00 0.27 -0.50 119.26 123.94 1pwx h ALA 110 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1pwx h ALA 110 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1pwx h ALA 110 CO 0.12 0.18 -0.12 -0.07 0.00 0.00 0.00 179.25 179.35 1pwx h LEU 111 N 0.00 0.08 -0.87 0.00 3.38 -0.89 -3.24 115.31 113.77 1pwx h LEU 111 Ca -0.00 -0.94 0.05 0.00 0.09 0.00 0.00 57.88 57.08 1pwx h LEU 111 Cb 0.27 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1pwx h LEU 111 CO 0.02 1.01 0.55 0.58 0.09 0.00 0.00 178.44 180.69 1pwx h VAL 112 N -0.84 1.08 0.00 1.22 2.07 -1.17 -1.45 116.25 117.16 1pwx h VAL 112 Ca -0.02 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1pwx h VAL 112 Cb 1.05 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1pwx h VAL 112 CO 0.02 0.19 0.00 -1.13 0.02 0.00 0.00 177.57 176.67 1pwx h ASN 113 N 1.02 0.00 0.00 0.57 -0.73 -1.20 0.41 115.58 115.65 1pwx h ASN 113 Ca 0.37 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.54 1pwx h ASN 113 Cb 0.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1pwx h ASN 113 CO -0.15 0.00 -1.07 0.00 -0.37 0.00 0.00 177.43 175.84 1pwx n ALA 114 N -1.99 3.40 -0.06 1.57 0.00 -0.64 -4.55 120.51 118.24 1pwx n ALA 114 Ca -0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 53.44 52.97 1pwx n ALA 114 Cb 0.16 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 1pwx n ALA 114 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1pwx n VAL 115 N -1.60 0.77 -0.31 0.00 3.14 -0.66 -4.57 118.33 115.09 1pwx n VAL 115 Ca 0.01 -0.44 0.15 0.00 -2.96 0.00 0.00 64.34 61.09 1pwx n VAL 115 Cb 0.29 -0.76 0.33 0.00 -1.06 0.00 0.00 33.84 32.64 1pwx n VAL 115 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pwx h ALA 116 N 0.45 1.49 0.22 1.55 0.00 -0.41 -2.14 119.26 120.42 1pwx h ALA 116 Ca -0.30 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pwx h ALA 116 Cb 1.65 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1pwx h ALA 116 CO 0.01 -0.39 -0.33 1.03 0.00 0.00 0.00 179.25 179.56 1pwx h SER 117 N 0.36 -0.94 0.01 0.00 0.87 -1.80 -2.49 113.55 109.55 1pwx h SER 117 Ca 0.59 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.23 1pwx h SER 117 Cb 1.16 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 1pwx h SER 117 CO -0.56 -0.40 0.00 0.06 -0.53 0.00 0.00 176.83 175.40 1pwx h GLN 118 N -0.57 0.00 0.26 2.24 3.07 -1.68 -2.83 115.11 115.60 1pwx h GLN 118 Ca -0.02 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.38 1pwx h GLN 118 Cb 0.53 0.00 0.04 0.00 0.08 0.00 0.00 27.48 28.13 1pwx h GLN 118 CO -0.10 0.00 -1.49 0.52 0.09 0.00 0.00 178.83 177.85 1pwx h MET 119 N 0.00 0.54 -0.17 0.06 2.86 -1.13 -3.34 114.93 113.75 1pwx h MET 119 Ca 0.00 -0.93 0.05 0.00 -2.06 0.00 0.00 59.70 56.76 1pwx h MET 119 Cb 0.00 0.35 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1pwx h MET 119 CO 0.00 1.44 0.15 0.87 1.06 0.00 0.00 176.91 180.43 1pwx h LYS 120 N 0.14 0.00 0.08 1.72 1.57 -1.19 -1.70 116.57 117.20 1pwx h LYS 120 Ca -0.26 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1pwx h LYS 120 Cb 2.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.48 1pwx h LYS 120 CO 0.28 0.00 -0.04 0.87 -0.57 0.00 0.00 179.45 179.98 1pwx h LYS 121 N 0.00 -0.11 0.00 3.15 1.57 -1.68 -3.15 116.57 116.35 1pwx h LYS 121 Ca 0.08 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1pwx h LYS 121 Cb 0.37 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1pwx h LYS 121 CO -0.00 0.39 -0.05 0.00 -0.57 0.00 0.00 179.45 179.21 1pwx h ARG 122 N -0.68 0.00 -4.29 3.15 3.08 -1.61 -3.45 114.38 110.58 1pwx h ARG 122 Ca -0.01 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.76 1pwx h ARG 122 Cb 0.55 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.69 1pwx h ARG 122 CO 0.02 0.05 -0.47 1.63 -1.07 0.00 0.00 179.97 180.13 1pwx n LYS 123 N -4.02 -5.40 -3.64 0.04 5.02 -0.67 -5.01 118.16 104.47 1pwx n LYS 123 Ca -0.03 0.59 -0.12 0.00 -2.02 0.00 0.00 58.31 56.73 1pwx n LYS 123 Cb 0.14 -4.89 -0.06 0.00 -0.02 0.00 0.00 35.03 30.20 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 -3.18 -0.30 0.00 4.39 1.04 -1.21 -4.48 113.70 109.96 1pwx s SER 124 Ca 0.39 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1pwx s SER 124 Cb -0.17 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1pwx s SER 124 CO 0.49 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1pwx n GLY 125 N 0.32 3.78 2.97 7.32 0.00 -1.26 -4.70 105.19 113.62 1pwx n GLY 125 Ca -0.18 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.07 -0.13 -0.16 1.61 0.09 -0.62 -2.96 115.29 111.05 1pwx s HIS 126 Ca 0.00 0.33 0.01 0.00 -0.00 0.00 0.00 55.06 55.41 1pwx s HIS 126 Cb 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 32.58 32.61 1pwx s HIS 126 CO 0.00 -0.08 -0.19 0.42 -0.00 0.00 0.00 174.74 174.89 1pwx s ILE 127 N 0.27 2.26 -0.10 0.60 -1.09 0.57 -1.53 121.20 122.19 1pwx s ILE 127 Ca -0.02 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.52 1pwx s ILE 127 Cb -0.03 -1.94 0.02 0.00 -1.58 0.00 0.00 42.46 38.93 1pwx s ILE 127 CO -0.01 0.53 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.46 1pwx s ILE 128 N 1.02 1.39 -0.14 2.92 1.01 0.59 -0.39 121.20 127.59 1pwx s ILE 128 Ca -0.02 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 1pwx s ILE 128 Cb -0.15 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1pwx s ILE 128 CO -0.05 0.42 0.11 -0.36 0.00 0.00 0.00 174.94 175.06 1pwx s PHE 129 N 1.03 3.48 -0.46 3.97 2.99 -0.55 -0.48 117.98 127.95 1pwx s PHE 129 Ca -0.06 0.41 -0.13 0.00 0.00 0.00 0.00 56.93 57.15 1pwx s PHE 129 Cb -0.15 -1.98 0.08 0.00 0.00 0.00 0.00 43.02 40.97 1pwx s PHE 129 CO -0.02 0.56 0.35 0.42 -0.00 0.00 0.00 175.22 176.53 1pwx s ILE 130 N -0.59 4.78 0.00 0.64 -1.09 -0.73 -0.48 121.20 123.73 1pwx s ILE 130 Ca 0.12 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.28 1pwx s ILE 130 Cb -0.12 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1pwx s ILE 130 CO 0.02 -0.58 0.00 0.35 -1.23 0.00 0.00 174.94 173.50 1pwx n THR 131 N 5.08 0.00 -3.56 2.92 -2.24 0.24 -3.71 114.28 113.01 1pwx n THR 131 Ca -0.11 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 1pwx n THR 131 Cb 0.43 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.54 -0.61 -0.05 3.42 0.15 -1.25 -4.12 113.70 110.70 1pwx s SER 132 Ca 0.00 0.74 0.14 0.00 0.70 0.00 0.00 55.95 57.52 1pwx s SER 132 Cb 0.00 0.63 0.49 0.00 -1.71 0.00 0.00 66.02 65.43 1pwx s SER 132 CO 0.00 -0.54 1.37 0.00 1.20 0.00 0.00 173.24 175.27 1pwx n ALA 133 N 1.20 2.74 0.22 5.45 0.00 -0.25 -4.24 120.51 125.63 1pwx n ALA 133 Ca -0.19 -1.03 0.09 0.00 0.00 0.00 0.00 53.44 52.32 1pwx n ALA 133 Cb 0.57 -1.00 0.42 0.00 0.00 0.00 0.00 19.45 19.44 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 2.92 0.56 0.00 0.00 1.35 -1.86 -2.99 112.91 112.90 1pwx h THR 134 Ca 0.00 -1.19 -0.07 0.00 -0.55 0.00 0.00 66.41 64.60 1pwx h THR 134 Cb 0.95 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 1pwx h THR 134 CO 0.11 0.23 -0.33 -0.65 -0.25 0.00 0.00 175.52 174.63 1pwx h PRO 135 N 0.00 0.00 -0.12 4.72 0.11 -1.81 -1.94 132.00 132.97 1pwx h PRO 135 Ca -0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1pwx h PRO 135 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1pwx h PRO 135 CO 0.03 0.33 0.00 0.35 -0.21 0.00 0.00 178.00 178.51 1pwx h PHE 136 N 0.00 0.22 -2.88 0.65 3.04 -1.84 -3.38 116.94 112.75 1pwx h PHE 136 Ca -0.00 -0.04 -0.61 0.00 3.98 0.00 0.00 57.97 61.30 1pwx h PHE 136 Cb 0.71 -0.06 -0.40 0.00 2.56 0.00 0.00 35.95 38.76 1pwx h PHE 136 CO 0.00 0.44 -0.76 0.20 -2.02 0.00 0.00 178.31 176.17 1pwx s GLY 137 N -2.95 1.67 0.52 2.40 0.00 -1.14 -5.05 107.32 102.78 1pwx s GLY 137 Ca -0.14 -2.64 -0.22 0.00 0.00 0.00 0.00 44.72 41.72 1pwx s GLY 137 CO 0.70 1.62 1.25 -4.14 0.00 0.00 0.00 173.10 172.53 1pwx s PRO 138 N 0.19 3.38 0.01 2.90 0.02 -0.74 -4.76 135.00 135.99 1pwx s PRO 138 Ca 0.20 1.98 -0.01 0.00 0.02 0.00 0.00 61.00 63.19 1pwx s PRO 138 Cb -0.18 -2.27 -0.04 0.00 0.02 0.00 0.00 34.50 32.03 1pwx s PRO 138 CO -0.04 -0.92 0.13 -1.58 -0.33 0.00 0.00 177.00 174.26 1pwx s TRP 139 N -1.45 3.41 0.48 6.54 0.51 -1.26 -5.08 118.94 122.10 1pwx s TRP 139 Ca 0.69 0.27 -0.23 0.00 -2.12 0.00 0.00 56.10 54.70 1pwx s TRP 139 Cb -0.34 -1.77 -0.07 0.00 -0.81 0.00 0.00 33.47 30.49 1pwx s TRP 139 CO 0.40 0.59 1.29 -1.59 -0.51 0.00 0.00 176.95 177.13 1pwx s LYS 140 N -1.94 3.53 -0.93 4.98 -2.85 -1.26 -3.84 119.74 117.44 1pwx s LYS 140 Ca 0.26 2.08 -0.03 0.00 -1.00 0.00 0.00 55.97 57.28 1pwx s LYS 140 Cb -0.12 -2.43 -0.04 0.00 -2.06 0.00 0.00 37.83 33.18 1pwx s LYS 140 CO 0.18 -0.83 0.80 0.39 0.10 0.00 0.00 175.35 175.99 1pwx n GLU 141 N -0.58 -3.07 -2.32 1.78 1.02 -1.26 -4.91 120.64 111.30 1pwx n GLU 141 Ca 0.08 0.73 -0.03 0.00 -0.02 0.00 0.00 57.16 57.92 1pwx n GLU 141 Cb 0.45 -5.23 0.04 0.00 -0.02 0.00 0.00 31.44 26.69 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 -3.18 -0.99 0.27 -4.62 7.94 -1.25 -2.27 117.00 112.90 1pwx n LEU 142 Ca -0.12 -2.12 0.17 0.00 -1.11 0.00 0.00 56.01 52.83 1pwx n LEU 142 Cb 0.61 0.61 0.67 0.00 0.53 0.00 0.00 43.42 45.84 1pwx n LEU 142 CO 0.50 1.34 0.98 0.77 -1.11 0.00 0.00 177.39 179.87 1pwx h SER 143 N 0.91 0.00 0.00 1.96 4.64 -1.84 -2.95 113.55 116.27 1pwx h SER 143 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1pwx h SER 143 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1pwx h SER 143 CO -0.12 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.19 1pwx n THR 144 N -3.01 0.00 -0.33 2.95 -2.24 -1.26 -3.06 114.28 107.33 1pwx n THR 144 Ca 0.01 0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.89 1pwx n THR 144 Cb 0.30 -0.08 0.14 0.00 -2.10 0.00 0.00 70.33 68.59 1pwx n THR 144 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pwx n TYR 145 N -0.42 0.35 0.25 4.78 4.19 -1.26 -0.83 117.16 124.22 1pwx n TYR 145 Ca 0.00 1.11 -0.16 0.00 3.31 0.00 0.00 57.90 62.16 1pwx n TYR 145 Cb 0.00 -1.04 -0.08 0.00 0.49 0.00 0.00 39.34 38.71 1pwx n TYR 145 CO 0.00 0.00 0.00 1.15 0.91 0.00 0.00 176.86 178.92 1pwx h THR 146 N 0.00 0.59 0.00 2.97 2.02 -1.72 -2.17 112.91 114.60 1pwx h THR 146 Ca 0.45 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.55 1pwx h THR 146 Cb 0.70 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1pwx h THR 146 CO -0.93 0.00 -0.36 0.77 0.37 0.00 0.00 175.52 175.37 1pwx h SER 147 N -0.57 0.00 -0.19 4.18 4.64 -1.10 -1.62 113.55 118.89 1pwx h SER 147 Ca -0.06 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 1pwx h SER 147 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1pwx h SER 147 CO 0.09 0.36 0.02 0.00 -0.87 0.00 0.00 176.83 176.43 1pwx h ALA 148 N 1.64 0.26 -0.98 5.18 0.00 -0.90 -1.10 119.26 123.37 1pwx h ALA 148 Ca -0.00 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1pwx h ALA 148 Cb 0.64 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1pwx h ALA 148 CO 0.05 -0.05 0.63 0.00 0.00 0.00 0.00 179.25 179.87 1pwx h ARG 149 N 0.11 1.08 0.00 0.00 2.47 -0.96 0.45 114.38 117.53 1pwx h ARG 149 Ca 0.06 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1pwx h ARG 149 Cb 0.34 -0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1pwx h ARG 149 CO 0.01 0.72 -0.15 0.00 0.56 0.00 0.00 179.97 181.10 1pwx h ALA 150 N 1.46 1.49 -0.12 0.04 0.00 -0.89 0.28 119.26 121.52 1pwx h ALA 150 Ca 0.43 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 1pwx h ALA 150 Cb 0.21 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pwx h ALA 150 CO -0.19 0.19 -0.54 0.78 0.00 0.00 0.00 179.25 179.49 1pwx h GLY 151 N 0.66 0.63 0.86 0.00 0.00 0.11 -1.97 103.07 103.36 1pwx h GLY 151 Ca -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 1pwx h GLY 151 CO 0.02 0.78 0.06 0.00 0.00 0.00 0.00 176.54 177.40 1pwx h ALA 152 N 0.49 0.28 0.05 3.60 0.00 -0.12 -0.83 119.26 122.73 1pwx h ALA 152 Ca -0.03 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1pwx h ALA 152 Cb 1.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1pwx h ALA 152 CO 0.11 -0.08 -0.29 0.00 0.00 0.00 0.00 179.25 178.98 1pwx h THR 154 N -0.47 1.17 -0.68 0.00 2.02 -1.27 -1.11 112.91 112.56 1pwx h THR 154 Ca 0.05 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1pwx h THR 154 Cb 0.53 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1pwx h THR 154 CO -0.22 0.19 0.23 0.25 0.37 0.00 0.00 175.52 176.33 1pwx h LEU 155 N 1.01 0.96 -0.01 2.58 7.12 -0.73 0.25 115.31 126.50 1pwx h LEU 155 Ca 0.29 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1pwx h LEU 155 Cb -0.06 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 39.82 1pwx h LEU 155 CO -0.07 0.89 0.01 0.00 -0.13 0.00 0.00 178.44 179.13 1pwx h ALA 156 N 1.24 0.01 -0.62 1.25 0.00 0.05 0.12 119.26 121.32 1pwx h ALA 156 Ca 0.22 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1pwx h ALA 156 Cb 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1pwx h ALA 156 CO -0.01 -0.48 0.07 -0.97 0.00 0.00 0.00 179.25 177.85 1pwx h ASN 157 N -0.00 1.01 0.54 0.00 -0.73 -1.01 -2.67 115.58 112.71 1pwx h ASN 157 Ca 0.00 -0.28 -0.03 0.00 1.87 0.00 0.00 56.30 57.87 1pwx h ASN 157 Cb 0.02 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.34 1pwx h ASN 157 CO -0.00 1.03 -0.26 0.00 -0.37 0.00 0.00 177.43 177.83 1pwx h ALA 158 N 1.01 -0.73 -0.75 1.57 0.00 -0.24 -2.57 119.26 117.56 1pwx h ALA 158 Ca 0.18 -0.16 0.22 0.00 0.00 0.00 0.00 54.91 55.15 1pwx h ALA 158 Cb 0.48 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1pwx h ALA 158 CO 0.02 -0.91 0.57 -0.07 0.00 0.00 0.00 179.25 178.86 1pwx h LEU 159 N -0.73 0.00 -1.71 0.00 3.38 -0.67 0.34 115.31 115.92 1pwx h LEU 159 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1pwx h LEU 159 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1pwx h LEU 159 CO 0.12 0.00 0.11 0.77 0.09 0.00 0.00 178.44 179.53 1pwx h SER 160 N 0.00 0.26 0.01 -0.43 4.64 -1.10 0.14 113.55 117.07 1pwx h SER 160 Ca 0.36 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1pwx h SER 160 Cb 1.49 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1pwx h SER 160 CO -0.00 0.23 -0.01 0.11 -0.87 0.00 0.00 176.83 176.29 1pwx h LYS 161 N 0.31 -0.02 0.00 4.77 1.79 -0.33 -2.59 116.57 120.49 1pwx h LYS 161 Ca 0.08 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.43 1pwx h LYS 161 Cb 0.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1pwx h LYS 161 CO -0.01 -0.01 -1.21 1.05 -1.08 0.00 0.00 179.45 178.18 1pwx h GLU 162 N -0.02 0.00 0.00 3.15 4.11 -1.53 -3.39 114.58 116.91 1pwx h GLU 162 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1pwx h GLU 162 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1pwx h GLU 162 CO 0.00 0.25 -0.65 -0.07 0.07 0.00 0.00 179.01 178.61 1pwx h LEU 163 N 0.00 0.00 -1.83 3.06 3.38 -0.76 -3.32 115.31 115.84 1pwx h LEU 163 Ca -0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1pwx h LEU 163 Cb 1.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 1pwx h LEU 163 CO 0.04 0.39 -0.14 1.23 0.09 0.00 0.00 178.44 180.04 1pwx h GLY 164 N 3.67 0.00 1.83 0.83 0.00 -1.53 -1.79 103.07 106.08 1pwx h GLY 164 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1pwx h GLY 164 CO 0.04 0.00 0.08 -2.09 0.00 0.00 0.00 176.54 174.57 1pwx h GLU 165 N 0.00 0.00 -0.15 4.80 4.81 -1.80 0.39 114.58 122.63 1pwx h GLU 165 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pwx h GLU 165 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1pwx h GLU 165 CO 0.02 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.96 1pwx n TYR 166 N -2.82 0.42 -2.78 0.92 4.01 -0.72 -4.98 117.16 111.20 1pwx n TYR 166 Ca -0.02 -0.81 -0.20 0.00 -0.16 0.00 0.00 57.90 56.70 1pwx n TYR 166 Cb 0.14 -0.18 0.02 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.69 -5.63 -4.28 7.72 5.15 0.14 -3.30 115.26 114.37 1pwx n ASN 167 Ca 0.15 -0.19 -0.39 0.00 -0.60 0.00 0.00 54.58 53.55 1pwx n ASN 167 Cb 0.65 -4.51 -0.11 0.00 -0.53 0.00 0.00 39.78 35.27 1pwx n ASN 167 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pwx s ILE 168 N -3.07 4.08 0.37 -1.44 1.01 -0.89 -4.38 121.20 116.89 1pwx s ILE 168 Ca 0.20 -1.22 -0.26 0.00 0.00 0.00 0.00 60.65 59.37 1pwx s ILE 168 Cb -0.09 -3.40 -0.09 0.00 0.01 0.00 0.00 42.46 38.89 1pwx s ILE 168 CO 0.25 -0.34 1.15 -2.84 0.00 0.00 0.00 174.94 173.16 1pwx s PRO 169 N 1.43 4.19 -0.06 2.79 0.02 -1.16 -3.65 135.00 138.56 1pwx s PRO 169 Ca 0.01 1.81 -0.01 0.00 0.02 0.00 0.00 61.00 62.83 1pwx s PRO 169 Cb -0.21 -2.77 0.03 0.00 0.02 0.00 0.00 34.50 31.57 1pwx s PRO 169 CO 0.03 -0.19 0.01 0.08 -0.33 0.00 0.00 177.00 176.59 1pwx s VAL 170 N -1.39 0.31 0.37 3.83 1.01 -1.26 -0.32 120.40 122.96 1pwx s VAL 170 Ca 0.54 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.71 1pwx s VAL 170 Cb -0.30 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1pwx s VAL 170 CO 0.38 0.24 0.08 -0.36 0.00 0.00 0.00 175.10 175.45 1pwx s PHE 171 N 1.88 1.88 -0.04 5.22 0.40 0.47 -0.78 117.98 127.02 1pwx s PHE 171 Ca 0.03 -1.10 -0.03 0.00 -0.60 0.00 0.00 56.93 55.23 1pwx s PHE 171 Cb -0.12 -1.25 0.01 0.00 0.51 0.00 0.00 43.02 42.17 1pwx s PHE 171 CO -0.04 -0.11 0.10 0.00 0.70 0.00 0.00 175.22 175.87 1pwx s ALA 172 N -3.24 -0.23 -0.22 5.36 0.00 -0.88 -1.49 121.76 121.06 1pwx s ALA 172 Ca 0.29 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1pwx s ALA 172 Cb 0.06 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1pwx s ALA 172 CO 0.14 -0.06 -0.13 0.42 0.00 0.00 0.00 175.76 176.13 1pwx s ILE 173 N 0.22 2.43 -0.79 0.00 1.01 0.36 -0.16 121.20 124.28 1pwx s ILE 173 Ca -0.01 -1.07 -0.14 0.00 0.00 0.00 0.00 60.65 59.43 1pwx s ILE 173 Cb -0.02 -2.18 0.21 0.00 0.01 0.00 0.00 42.46 40.47 1pwx s ILE 173 CO -0.01 0.31 0.73 -0.83 0.00 0.00 0.00 174.94 175.15 1pwx s GLY 174 N 1.28 2.59 0.80 6.18 0.00 0.33 0.83 107.32 119.32 1pwx s GLY 174 Ca 0.01 -3.23 -0.12 0.00 0.00 0.00 0.00 44.72 41.38 1pwx s GLY 174 CO -0.08 1.25 1.14 -4.14 0.00 0.00 0.00 173.10 171.27 1pwx s PRO 175 N 0.33 2.09 -0.30 2.90 0.02 -1.26 -1.88 135.00 136.90 1pwx s PRO 175 Ca 0.16 0.31 -0.13 0.00 0.02 0.00 0.00 61.00 61.35 1pwx s PRO 175 Cb -0.13 -1.95 0.16 0.00 0.02 0.00 0.00 34.50 32.60 1pwx s PRO 175 CO -0.07 -1.54 0.90 1.21 -0.33 0.00 0.00 177.00 177.17 1pwx s ASN 176 N -4.34 -0.73 -0.62 2.53 3.84 -1.19 -1.09 114.94 113.35 1pwx s ASN 176 Ca 0.61 0.94 -0.04 0.00 0.21 0.00 0.00 52.86 54.58 1pwx s ASN 176 Cb -0.12 1.80 0.00 0.00 -0.55 0.00 0.00 41.25 42.39 1pwx s ASN 176 CO 0.51 -0.14 0.54 -1.22 -2.79 0.00 0.00 177.10 174.00 1pwx n TYR 177 N 5.12 -1.30 -3.02 0.43 4.02 -1.26 -4.27 117.16 116.88 1pwx n TYR 177 Ca -0.09 0.47 -0.43 0.00 -0.01 0.00 0.00 57.90 57.83 1pwx n TYR 177 Cb 0.52 -2.97 -0.05 0.00 -0.02 0.00 0.00 39.34 36.82 1pwx n TYR 177 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1pwx s LEU 178 N -3.95 4.67 0.10 7.72 2.96 -1.26 -0.22 118.68 128.70 1pwx s LEU 178 Ca 0.23 -0.79 -0.35 0.00 -0.22 0.00 0.00 54.13 53.01 1pwx s LEU 178 Cb -0.10 -2.55 -0.14 0.00 0.50 0.00 0.00 46.19 43.90 1pwx s LEU 178 CO 0.34 -1.07 1.59 1.57 -1.32 0.00 0.00 176.35 177.46 1pwx n HIS 179 N 6.74 2.15 0.56 5.38 -0.00 -1.07 -4.23 115.22 124.75 1pwx n HIS 179 Ca -0.04 0.30 0.06 0.00 -0.00 0.00 0.00 57.72 58.04 1pwx n HIS 179 Cb 0.46 -2.52 -0.00 0.00 -0.00 0.00 0.00 29.99 27.92 1pwx n HIS 179 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1pwx n SER 180 N 3.80 1.38 0.00 0.26 3.41 -0.79 -4.66 113.62 117.02 1pwx n SER 180 Ca 0.18 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1pwx n SER 180 Cb 0.27 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 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 -0.21 0.00 0.32 4.33 1.02 -1.25 -2.99 120.64 121.85 1pwx n GLU 181 Ca 0.05 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.39 1pwx n GLU 181 Cb 0.26 0.00 1.05 0.00 -0.02 0.00 0.00 31.44 32.74 1pwx n GLU 181 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1pwx h ASP 182 N 0.00 0.00 -3.48 1.62 5.19 -1.95 -2.86 116.42 114.94 1pwx h ASP 182 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 1pwx h ASP 182 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1pwx h ASP 182 CO 0.00 0.01 0.39 -0.55 -3.12 0.00 0.00 179.24 175.97 1pwx s SER 183 N -5.53 7.40 -0.23 6.45 0.15 -1.16 -4.92 113.70 115.87 1pwx s SER 183 Ca -0.04 1.78 0.01 0.00 0.70 0.00 0.00 55.95 58.40 1pwx s SER 183 Cb 0.13 -2.58 0.25 0.00 -1.71 0.00 0.00 66.02 62.11 1pwx s SER 183 CO 0.47 -0.18 1.65 -0.81 1.20 0.00 0.00 173.24 175.58 1pwx n PRO 184 N 3.24 1.62 -3.47 5.44 -0.04 -1.26 -3.19 135.00 137.33 1pwx n PRO 184 Ca 0.04 -1.36 -0.29 0.00 -0.04 0.00 0.00 63.50 61.86 1pwx n PRO 184 Cb 0.49 -1.53 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.53 0.60 0.00 0.54 2.02 -1.26 -4.78 117.35 112.94 1pwx s TYR 185 Ca 0.26 -1.44 0.00 0.00 -0.37 0.00 0.00 57.07 55.52 1pwx s TYR 185 Cb 0.21 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.88 1pwx s TYR 185 CO 0.03 -0.83 0.57 1.19 -1.57 0.00 0.00 175.55 174.93 1pwx n PHE 186 N 4.30 0.00 -3.02 2.71 3.01 -1.26 -1.34 117.46 121.86 1pwx n PHE 186 Ca 0.08 -0.15 -0.18 0.00 1.01 0.00 0.00 57.45 58.21 1pwx n PHE 186 Cb 0.38 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.82 1pwx n PHE 186 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1pwx n TYR 187 N -0.15 1.11 -1.52 1.38 4.02 -1.26 -5.00 117.16 115.74 1pwx n TYR 187 Ca 0.00 -3.62 -0.37 0.00 -0.01 0.00 0.00 57.90 53.89 1pwx n TYR 187 Cb 0.33 -0.41 0.06 0.00 -0.02 0.00 0.00 39.34 39.30 1pwx n TYR 187 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1pwx n PRO 188 N 0.10 0.69 0.07 -0.72 -0.04 -1.19 -1.88 135.00 132.03 1pwx n PRO 188 Ca 0.24 0.28 0.21 0.00 -0.04 0.00 0.00 63.50 64.18 1pwx n PRO 188 Cb 0.65 -2.03 0.68 0.00 -0.04 0.00 0.00 33.50 32.75 1pwx n PRO 188 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pwx h THR 189 N 0.23 0.25 -3.60 0.52 2.02 -1.81 -3.18 112.91 107.34 1pwx h THR 189 Ca -0.47 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.03 1pwx h THR 189 Cb 1.37 0.51 -0.27 0.00 -1.74 0.00 0.00 68.15 68.03 1pwx h THR 189 CO 0.49 0.00 -0.63 -1.61 0.37 0.00 0.00 175.52 174.14 1pwx s GLU 190 N -4.50 3.05 -0.07 6.66 0.41 -1.26 -2.00 118.70 120.99 1pwx s GLU 190 Ca -0.04 -0.88 0.14 0.00 -0.41 0.00 0.00 54.97 53.78 1pwx s GLU 190 Cb 0.14 -3.36 0.45 0.00 -1.78 0.00 0.00 34.13 29.58 1pwx s GLU 190 CO 0.48 -0.46 1.38 -0.35 -0.49 0.00 0.00 175.26 175.83 1pwx n PRO 191 N 4.85 3.03 0.02 0.39 -0.04 -1.25 -4.98 135.00 137.02 1pwx n PRO 191 Ca -0.14 -2.44 0.01 0.00 -0.04 0.00 0.00 63.50 60.89 1pwx n PRO 191 Cb 0.48 -1.54 0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1pwx n PRO 191 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1pwx n TRP 192 N 0.40 0.09 0.00 0.54 7.02 -1.20 0.05 117.44 124.33 1pwx n TRP 192 Ca 0.17 0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.70 1pwx n TRP 192 Cb 0.64 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 29.04 1pwx n TRP 192 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1pwx n LYS 193 N -1.52 3.33 0.00 -0.99 5.02 -0.85 -4.09 118.16 119.06 1pwx n LYS 193 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pwx n LYS 193 Cb 0.09 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.66 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 -0.61 0.00 -3.99 -0.18 -2.24 -0.89 -4.96 114.28 101.41 1pwx n THR 194 Ca 0.00 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.94 1pwx n THR 194 Cb 0.00 1.00 -0.15 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.04 4.33 0.19 3.42 3.84 0.11 -5.03 114.94 121.76 1pwx s ASN 195 Ca 0.00 -1.03 -0.08 0.00 0.21 0.00 0.00 52.86 51.97 1pwx s ASN 195 Cb 0.00 -1.63 0.29 0.00 -0.55 0.00 0.00 41.25 39.36 1pwx s ASN 195 CO 0.00 -0.15 1.13 -2.65 -2.79 0.00 0.00 177.10 172.64 1pwx n PRO 196 N 4.61 -0.09 -0.15 0.43 -0.02 -1.26 -1.45 135.00 137.07 1pwx n PRO 196 Ca -0.16 1.13 -0.09 0.00 -2.02 0.00 0.00 63.50 62.36 1pwx n PRO 196 Cb 0.46 -1.68 -0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1pwx n PRO 196 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pwx h GLU 197 N 0.00 0.65 0.37 -0.52 3.07 -1.95 -2.31 114.58 113.89 1pwx h GLU 197 Ca 0.32 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 1pwx h GLU 197 Cb 0.50 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1pwx h GLU 197 CO -0.74 0.64 -0.18 0.45 -1.40 0.00 0.00 179.01 177.78 1pwx h HIS 198 N 0.54 -0.46 -0.87 4.33 3.86 -1.56 -2.46 115.15 118.54 1pwx h HIS 198 Ca 0.14 -0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.54 1pwx h HIS 198 Cb 0.25 0.15 -0.16 0.00 1.06 0.00 0.00 27.41 28.71 1pwx h HIS 198 CO 0.01 -0.13 -0.07 0.28 0.86 0.00 0.00 177.93 178.89 1pwx h VAL 199 N -0.90 0.17 -0.94 2.45 2.07 -1.30 0.83 116.25 118.63 1pwx h VAL 199 Ca -0.05 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1pwx h VAL 199 Cb 0.54 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1pwx h VAL 199 CO 0.08 0.01 0.60 0.00 0.02 0.00 0.00 177.57 178.29 1pwx h ALA 200 N 1.85 1.28 0.00 1.67 0.00 -1.38 -1.92 119.26 120.75 1pwx h ALA 200 Ca 0.47 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 1pwx h ALA 200 Cb 0.84 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1pwx h ALA 200 CO -0.82 0.42 -0.13 1.25 0.00 0.00 0.00 179.25 179.97 1pwx h HIS 201 N 1.13 0.00 0.10 0.00 6.17 0.12 -2.19 115.15 120.48 1pwx h HIS 201 Ca 0.39 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.47 1pwx h HIS 201 Cb 0.10 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.03 1pwx h HIS 201 CO -0.01 0.13 -0.05 0.28 0.71 0.00 0.00 177.93 178.99 1pwx h VAL 202 N 0.00 0.83 -0.26 5.26 2.07 -0.73 -3.06 116.25 120.36 1pwx h VAL 202 Ca -0.00 -1.34 0.08 0.00 0.82 0.00 0.00 66.70 66.25 1pwx h VAL 202 Cb 0.30 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1pwx h VAL 202 CO 0.02 0.25 0.22 0.50 0.02 0.00 0.00 177.57 178.57 1pwx h LYS 203 N -0.93 0.00 0.00 1.57 1.63 -1.35 -2.40 116.57 115.09 1pwx h LYS 203 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1pwx h LYS 203 Cb 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1pwx h LYS 203 CO 0.02 0.00 -0.79 -0.22 -3.45 0.00 0.00 179.45 175.01 1pwx h LYS 204 N 0.00 0.00 -0.00 1.90 3.64 -1.46 -3.39 116.57 117.26 1pwx h LYS 204 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1pwx h LYS 204 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1pwx h LYS 204 CO -0.00 0.00 -0.26 1.33 -2.27 0.00 0.00 179.45 178.25 1pwx n VAL 205 N -2.71 0.00 -4.66 2.00 0.24 -1.07 -4.87 118.33 107.26 1pwx n VAL 205 Ca 0.01 -0.37 -0.33 0.00 -2.04 0.00 0.00 64.34 61.60 1pwx n VAL 205 Cb 0.54 1.02 -0.13 0.00 -1.47 0.00 0.00 33.84 33.80 1pwx n VAL 205 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1pwx s THR 206 N -1.46 3.43 0.21 3.34 -4.23 -0.93 -2.77 115.64 113.23 1pwx s THR 206 Ca 0.03 -0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 59.90 1pwx s THR 206 Cb 0.05 -2.44 0.14 0.00 1.34 0.00 0.00 72.50 71.59 1pwx s THR 206 CO 0.23 0.54 1.82 0.00 -0.54 0.00 0.00 174.62 176.67 1pwx h ALA 207 N 6.15 0.89 0.00 3.99 0.00 -1.25 0.24 119.26 129.29 1pwx h ALA 207 Ca -0.36 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pwx h ALA 207 Cb 1.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1pwx h ALA 207 CO 0.56 0.08 0.00 -0.07 0.00 0.00 0.00 179.25 179.82 1pwx h LEU 208 N 0.72 0.00 -1.86 0.00 3.38 -1.85 -3.48 115.31 112.22 1pwx h LEU 208 Ca 0.29 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.01 1pwx h LEU 208 Cb 0.14 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.03 1pwx h LEU 208 CO -0.16 0.00 -0.62 0.00 0.09 0.00 0.00 178.44 177.75 1pwx n GLN 209 N -3.09 -4.67 -3.60 1.13 6.02 0.85 -5.02 117.38 109.01 1pwx n GLN 209 Ca 0.02 0.67 -0.03 0.00 -0.01 0.00 0.00 57.00 57.64 1pwx n GLN 209 Cb 0.36 -5.11 -0.02 0.00 1.02 0.00 0.00 30.24 26.50 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 -4.91 0.28 0.56 -1.09 1.70 -1.26 -4.26 118.95 109.97 1pwx s ARG 210 Ca 0.06 -0.11 -0.19 0.00 -0.47 0.00 0.00 55.73 55.02 1pwx s ARG 210 Cb -0.01 0.12 -0.05 0.00 -0.57 0.00 0.00 34.95 34.45 1pwx s ARG 210 CO 0.57 -0.12 1.14 -0.51 -1.08 0.00 0.00 175.30 175.30 1pwx s LEU 211 N -2.26 3.70 0.70 -1.89 1.43 -1.26 -4.97 118.68 114.12 1pwx s LEU 211 Ca 0.10 2.18 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 1pwx s LEU 211 Cb -0.00 -4.58 0.06 0.00 0.03 0.00 0.00 46.19 41.69 1pwx s LEU 211 CO -0.04 -1.31 1.01 -0.83 0.23 0.00 0.00 176.35 175.40 1pwx s GLY 212 N -1.85 1.68 0.18 -3.19 0.00 0.69 -4.79 107.32 100.04 1pwx s GLY 212 Ca 0.73 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 44.59 1pwx s GLY 212 CO 0.29 -0.51 0.15 -0.51 0.00 0.00 0.00 173.10 172.52 1pwx s THR 213 N -3.23 4.53 0.38 0.90 -4.23 -1.26 -2.59 115.64 110.14 1pwx s THR 213 Ca 0.60 -1.11 0.07 0.00 -1.18 0.00 0.00 61.69 60.07 1pwx s THR 213 Cb -0.11 -3.33 0.20 0.00 1.34 0.00 0.00 72.50 70.60 1pwx s THR 213 CO 0.45 -0.14 1.96 1.56 -0.54 0.00 0.00 174.62 177.90 1pwx h GLN 214 N 2.25 0.45 -0.66 3.99 1.08 -1.97 -0.95 115.11 119.31 1pwx h GLN 214 Ca -0.48 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 56.59 1pwx h GLN 214 Cb 1.21 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.53 1pwx h GLN 214 CO 0.63 0.43 0.19 0.87 -0.95 0.00 0.00 178.83 180.00 1pwx h LYS 215 N 0.45 1.03 0.02 1.46 6.56 -1.95 0.33 116.57 124.46 1pwx h LYS 215 Ca 0.11 -0.22 -0.00 0.00 -1.06 0.00 0.00 60.65 59.48 1pwx h LYS 215 Cb 0.19 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1pwx h LYS 215 CO -0.00 0.89 -0.01 0.93 -2.06 0.00 0.00 179.45 179.20 1pwx h GLU 216 N 0.98 -0.02 0.00 3.15 5.08 -1.61 -0.60 114.58 121.56 1pwx h GLU 216 Ca 0.21 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1pwx h GLU 216 Cb 0.31 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1pwx h GLU 216 CO -0.00 0.26 -0.20 1.25 -1.00 0.00 0.00 179.01 179.31 1pwx h LEU 217 N -0.30 0.00 0.00 1.33 7.12 -1.20 -2.69 115.31 119.56 1pwx h LEU 217 Ca -0.00 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.83 1pwx h LEU 217 Cb 0.29 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.39 1pwx h LEU 217 CO 0.00 0.20 -0.89 1.23 -0.13 0.00 0.00 178.44 178.86 1pwx h GLY 218 N 1.80 0.00 0.83 3.75 0.00 -0.21 -2.99 103.07 106.24 1pwx h GLY 218 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1pwx h GLY 218 CO 0.03 0.00 -0.05 0.83 0.00 0.00 0.00 176.54 177.35 1pwx h GLU 219 N 0.00 0.43 0.72 4.80 4.39 -0.78 -1.94 114.58 122.20 1pwx h GLU 219 Ca -0.03 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 1pwx h GLU 219 Cb 1.63 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 30.26 1pwx h GLU 219 CO 0.10 0.66 -0.34 1.25 -1.16 0.00 0.00 179.01 179.51 1pwx h LEU 220 N 0.16 -0.82 -0.64 1.33 5.85 -1.59 0.57 115.31 120.18 1pwx h LEU 220 Ca 0.06 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1pwx h LEU 220 Cb 0.50 0.21 -0.12 0.00 0.37 0.00 0.00 40.66 41.62 1pwx h LEU 220 CO 0.02 -0.51 -0.25 0.58 -0.34 0.00 0.00 178.44 177.95 1pwx h VAL 221 N -1.10 0.24 0.00 1.05 2.07 -1.59 0.68 116.25 117.61 1pwx h VAL 221 Ca -0.10 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1pwx h VAL 221 Cb 0.76 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1pwx h VAL 221 CO 0.16 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.37 1pwx h ALA 222 N 1.37 1.32 -0.06 1.67 0.00 -1.28 0.15 119.26 122.43 1pwx h ALA 222 Ca 0.29 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pwx h ALA 222 Cb 0.53 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1pwx h ALA 222 CO -0.70 0.47 -0.08 0.35 0.00 0.00 0.00 179.25 179.30 1pwx h PHE 223 N 0.00 0.19 -0.51 0.00 3.57 0.39 -2.42 116.94 118.17 1pwx h PHE 223 Ca -0.00 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 1pwx h PHE 223 Cb 0.69 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1pwx h PHE 223 CO 0.00 0.63 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.64 1pwx h LEU 224 N -0.30 0.89 0.00 0.59 3.38 0.34 -2.81 115.31 117.40 1pwx h LEU 224 Ca 0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1pwx h LEU 224 Cb 0.61 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1pwx h LEU 224 CO 0.02 0.98 0.00 0.00 0.09 0.00 0.00 178.44 179.53 1pwx n ALA 225 N -2.45 2.27 0.10 1.53 0.00 0.51 -3.42 120.51 119.05 1pwx n ALA 225 Ca 0.01 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1pwx n ALA 225 Cb 0.32 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1pwx n ALA 225 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pwx h SER 226 N 0.00 0.00 0.00 0.00 4.64 -1.15 -3.48 113.55 113.56 1pwx h SER 226 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pwx h SER 226 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pwx h SER 226 CO 0.00 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 1pwx n GLY 227 N 1.21 0.62 0.19 -0.77 0.00 -1.22 -4.95 105.19 100.28 1pwx n GLY 227 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 1.61 0.02 -1.83 -3.37 113.55 109.98 1pwx h SER 228 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1pwx h SER 228 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 1pwx h SER 228 CO 0.00 0.00 -0.21 0.00 -1.14 0.00 0.00 176.83 175.48 1pwx n ASP 230 N 1.15 0.00 0.00 0.00 8.00 -1.26 -2.69 116.55 121.75 1pwx n ASP 230 Ca 0.03 0.34 0.10 0.00 0.71 0.00 0.00 54.79 55.97 1pwx n ASP 230 Cb 0.69 -0.42 0.53 0.00 -0.02 0.00 0.00 41.12 41.90 1pwx n ASP 230 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pwx n TYR 231 N -1.42 0.00 1.02 1.24 4.19 -1.26 -2.11 117.16 118.83 1pwx n TYR 231 Ca 0.04 0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.37 1pwx n TYR 231 Cb 0.13 -0.23 0.30 0.00 0.49 0.00 0.00 39.34 40.03 1pwx n TYR 231 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1pwx n LEU 232 N -1.23 0.48 -3.79 2.98 4.77 -1.09 -4.97 117.00 114.15 1pwx n LEU 232 Ca 0.11 0.03 -0.49 0.00 -0.03 0.00 0.00 56.01 55.62 1pwx n LEU 232 Cb 0.14 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 1pwx n LEU 232 CO 0.15 0.12 0.46 1.07 -1.33 0.00 0.00 177.39 177.85 1pwx n THR 233 N -1.44 0.07 -0.17 -5.08 5.66 -0.90 -1.27 114.28 111.15 1pwx n THR 233 Ca 0.06 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1pwx n THR 233 Cb 0.34 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 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 1.28 0.75 3.83 1.09 0.00 0.04 -4.92 105.19 107.25 1pwx n GLY 234 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1pwx n GLY 234 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pwx s GLN 235 N -0.83 4.02 -0.29 1.61 2.00 -0.39 -4.66 119.66 121.11 1pwx s GLN 235 Ca 0.00 0.52 -0.07 0.00 -2.00 0.00 0.00 55.36 53.81 1pwx s GLN 235 Cb 0.00 -3.23 0.00 0.00 0.80 0.00 0.00 33.01 30.58 1pwx s GLN 235 CO 0.00 0.66 0.09 0.08 -0.50 0.00 0.00 175.29 175.62 1pwx s VAL 236 N -1.05 4.07 0.07 1.34 1.01 -1.26 -2.07 120.40 122.50 1pwx s VAL 236 Ca 0.25 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 1pwx s VAL 236 Cb -0.18 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 1pwx s VAL 236 CO 0.15 0.09 0.61 -0.36 0.00 0.00 0.00 175.10 175.59 1pwx s PHE 237 N 1.52 3.79 -0.64 5.22 0.08 0.78 -4.91 117.98 123.82 1pwx s PHE 237 Ca 0.03 1.31 -0.09 0.00 0.12 0.00 0.00 56.93 58.30 1pwx s PHE 237 Cb -0.17 -2.56 0.17 0.00 -0.57 0.00 0.00 43.02 39.88 1pwx s PHE 237 CO 0.03 0.52 0.52 -1.58 -0.10 0.00 0.00 175.22 174.61 1pwx s TRP 238 N -0.88 3.52 -0.54 0.36 0.52 -1.26 0.12 118.94 120.78 1pwx s TRP 238 Ca 0.30 -2.13 -0.02 0.00 0.02 0.00 0.00 56.10 54.27 1pwx s TRP 238 Cb -0.20 -3.54 0.23 0.00 -1.15 0.00 0.00 33.47 28.82 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173.32 173.20 1pwx s PHE 243 N -2.14 3.30 0.56 1.61 2.19 -1.13 -3.56 117.98 118.82 1pwx s PHE 243 Ca 0.00 1.59 -0.04 0.00 0.33 0.00 0.00 56.93 58.81 1pwx s PHE 243 Cb 0.00 -2.86 0.01 0.00 -1.31 0.00 0.00 43.02 38.86 1pwx s PHE 243 CO 0.00 -0.19 0.85 -1.25 1.83 0.00 0.00 175.22 176.46 1pwx s PRO 244 N -3.29 2.89 -0.13 10.12 0.04 -1.26 -4.81 135.00 138.57 1pwx s PRO 244 Ca 0.62 -0.17 -0.01 0.00 0.04 0.00 0.00 61.00 61.48 1pwx s PRO 244 Cb -0.10 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1pwx s PRO 244 CO 0.16 -0.63 -0.11 -1.64 0.04 0.00 0.00 177.00 174.82 1pwx s MET 245 N -4.89 3.39 -0.10 4.56 -1.94 -1.11 -4.92 119.30 114.29 1pwx s MET 245 Ca 0.53 -0.64 -0.13 0.00 -1.71 0.00 0.00 55.69 53.74 1pwx s MET 245 Cb -0.10 -2.69 -0.05 0.00 2.01 0.00 0.00 34.83 34.00 1pwx s MET 245 CO 0.43 0.26 0.30 0.42 -0.01 0.00 0.00 175.02 176.42 1pwx s ILE 246 N 0.26 5.26 0.43 2.53 -1.09 -1.26 -4.94 121.20 122.38 1pwx s ILE 246 Ca -0.07 0.57 -0.26 0.00 -2.23 0.00 0.00 60.65 58.65 1pwx s ILE 246 Cb -0.15 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131.18 1pwx n PRO 250 Ca 0.11 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1pwx n PRO 250 Cb 0.47 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1pwx n PRO 250 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pwx n GLY 251 N 1.91 2.73 3.47 -1.23 0.00 -1.26 -5.04 105.19 105.78 1pwx n GLY 251 Ca 0.20 -0.66 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 1pwx n GLY 251 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pwx n MET 252 N 0.00 0.63 0.00 1.61 2.81 -0.81 -5.19 117.12 116.17 1pwx n MET 252 Ca 0.00 0.23 0.14 0.00 -1.81 0.00 0.00 57.70 56.25 1pwx n MET 252 Cb 0.00 -1.45 0.49 0.00 -0.71 0.00 0.00 33.22 31.56 1pwx n MET 252 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13