#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pw1 n PRO 4 N 0.00 -0.69 -2.10 3.23 -0.02 -1.26 -4.95 135.00 129.20 1pw1 n PRO 4 Ca 0.00 -0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 1pw1 n PRO 4 Cb 0.00 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1pw1 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pw1 s ALA 5 N -2.52 3.55 0.52 3.55 0.00 -1.26 -4.80 121.76 120.80 1pw1 s ALA 5 Ca 0.63 1.25 -0.22 0.00 0.00 0.00 0.00 51.96 53.63 1pw1 s ALA 5 Cb -0.22 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 1pw1 s ALA 5 CO 0.62 -0.65 1.17 -2.30 0.00 0.00 0.00 175.76 174.60 1pw1 n PRO 6 N 1.72 1.46 -3.46 0.00 -0.02 -1.26 -4.08 135.00 129.36 1pw1 n PRO 6 Ca 0.04 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 1pw1 n PRO 6 Cb 0.41 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1pw1 n PRO 6 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1pw1 s ASP 7 N -0.90 5.99 0.26 2.55 2.15 -0.46 -4.88 116.67 121.38 1pw1 s ASP 7 Ca 0.69 -2.08 0.04 0.00 0.43 0.00 0.00 52.55 51.63 1pw1 s ASP 7 Cb -0.46 -2.09 0.33 0.00 -0.30 0.00 0.00 42.92 40.40 1pw1 s ASP 7 CO 0.52 -0.70 1.62 0.44 -0.17 0.00 0.00 175.17 176.88 1pw1 h ASP 8 N 8.36 0.31 -0.58 -0.34 5.19 -1.93 -0.27 116.42 127.16 1pw1 h ASP 8 Ca -0.17 -0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.05 1pw1 h ASP 8 Cb 1.07 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 1pw1 h ASP 8 CO 0.89 0.76 0.21 0.74 -3.12 0.00 0.00 179.24 178.71 1pw1 h THR 9 N 0.23 1.23 -0.67 0.35 2.02 -1.99 0.07 112.91 114.15 1pw1 h THR 9 Ca 0.01 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 1pw1 h THR 9 Cb 0.96 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1pw1 h THR 9 CO 0.08 0.29 0.22 1.23 0.37 0.00 0.00 175.52 177.70 1pw1 h GLY 10 N 0.80 1.11 1.00 2.16 0.00 -1.88 -1.50 103.07 104.77 1pw1 h GLY 10 Ca 0.19 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1pw1 h GLY 10 CO -0.01 0.61 0.39 1.41 0.00 0.00 0.00 176.54 178.94 1pw1 h LEU 11 N 0.97 0.85 -0.65 3.11 3.38 -0.74 -1.32 115.31 120.91 1pw1 h LEU 11 Ca 0.22 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1pw1 h LEU 11 Cb 0.29 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1pw1 h LEU 11 CO -0.01 0.69 0.41 -0.61 0.09 0.00 0.00 178.44 179.01 1pw1 h GLN 12 N 0.94 0.79 -0.56 1.13 4.15 -0.79 -2.12 115.11 118.65 1pw1 h GLN 12 Ca 0.24 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.53 1pw1 h GLN 12 Cb 0.02 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1pw1 h GLN 12 CO -0.04 0.52 0.01 0.00 -1.93 0.00 0.00 178.83 177.40 1pw1 h ALA 13 N 1.27 0.96 -0.10 3.38 0.00 -0.76 -1.00 119.26 123.00 1pw1 h ALA 13 Ca 0.25 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1pw1 h ALA 13 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1pw1 h ALA 13 CO -0.09 0.63 0.01 0.28 0.00 0.00 0.00 179.25 180.09 1pw1 h VAL 14 N 0.89 0.95 -0.58 0.00 2.07 -0.77 -0.14 116.25 118.67 1pw1 h VAL 14 Ca 0.17 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1pw1 h VAL 14 Cb 0.50 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1pw1 h VAL 14 CO 0.02 0.01 0.32 -0.07 0.02 0.00 0.00 177.57 177.88 1pw1 h LEU 15 N 0.05 0.72 -0.82 2.57 3.38 -1.19 -0.95 115.31 119.07 1pw1 h LEU 15 Ca 0.04 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1pw1 h LEU 15 Cb 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1pw1 h LEU 15 CO -0.06 0.60 0.32 -0.74 0.09 0.00 0.00 178.44 178.65 1pw1 h HIS 16 N 0.78 1.21 -0.44 1.13 2.76 -0.99 -1.51 115.15 118.09 1pw1 h HIS 16 Ca 0.20 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1pw1 h HIS 16 Cb 0.04 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 28.62 1pw1 h HIS 16 CO -0.01 0.91 0.21 1.15 -1.30 0.00 0.00 177.93 178.88 1pw1 h THR 17 N 1.16 1.18 -0.74 6.26 2.02 -0.68 -1.72 112.91 120.39 1pw1 h THR 17 Ca 0.27 -0.52 0.04 0.00 0.77 0.00 0.00 66.41 66.96 1pw1 h THR 17 Cb 0.21 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 1pw1 h THR 17 CO -0.02 0.20 0.46 0.00 0.37 0.00 0.00 175.52 176.53 1pw1 h ALA 18 N 1.05 0.97 -0.64 6.16 0.00 -0.76 -1.40 119.26 124.66 1pw1 h ALA 18 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1pw1 h ALA 18 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1pw1 h ALA 18 CO -0.02 0.24 0.36 -0.07 0.00 0.00 0.00 179.25 179.76 1pw1 h LEU 19 N 0.89 0.79 -2.42 0.00 4.07 -1.02 -1.67 115.31 115.95 1pw1 h LEU 19 Ca 0.30 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1pw1 h LEU 19 Cb 0.04 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.58 1pw1 h LEU 19 CO -0.12 0.65 0.00 0.77 -1.08 0.00 0.00 178.44 178.65 1pw1 h SER 20 N 0.86 0.00 0.03 -0.43 4.64 -0.36 -2.05 113.55 116.25 1pw1 h SER 20 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1pw1 h SER 20 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1pw1 h SER 20 CO -0.04 0.00 -0.39 0.00 -0.87 0.00 0.00 176.83 175.53 1pw1 n GLN 21 N -3.01 1.22 0.00 4.77 6.02 -0.70 -4.96 117.38 120.72 1pw1 n GLN 21 Ca -0.02 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 56.01 1pw1 n GLN 21 Cb 0.14 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1pw1 n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pw1 n GLY 22 N 1.40 0.70 3.69 1.08 0.00 -0.77 -4.76 105.19 106.52 1pw1 n GLY 22 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1pw1 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pw1 s ALA 23 N -1.60 3.50 0.30 4.61 0.00 -0.69 -4.91 121.76 122.97 1pw1 s ALA 23 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1pw1 s ALA 23 Cb 0.00 -3.52 0.44 0.00 0.00 0.00 0.00 23.12 20.04 1pw1 s ALA 23 CO 0.00 -0.77 1.97 -1.35 0.00 0.00 0.00 175.76 175.60 1pw1 h PRO 24 N 7.49 1.09 -3.56 0.00 0.11 -1.86 -3.37 132.00 131.90 1pw1 h PRO 24 Ca -0.35 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.58 1pw1 h PRO 24 Cb 1.16 -0.25 -0.17 0.00 0.11 0.00 0.00 31.00 31.85 1pw1 h PRO 24 CO 0.88 0.72 -0.40 0.20 -0.21 0.00 0.00 178.00 179.20 1pw1 s GLY 25 N -3.29 0.03 -0.12 -0.55 0.00 -1.20 -1.15 107.32 101.05 1pw1 s GLY 25 Ca -0.12 -0.27 -0.17 0.00 0.00 0.00 0.00 44.72 44.16 1pw1 s GLY 25 CO 0.79 -0.45 0.43 0.00 0.00 0.00 0.00 173.10 173.88 1pw1 s ALA 26 N -2.51 -1.08 0.20 3.20 0.00 -0.41 -2.19 121.76 118.97 1pw1 s ALA 26 Ca -0.06 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 1pw1 s ALA 26 Cb -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1pw1 s ALA 26 CO -0.04 -0.23 0.48 0.00 0.00 0.00 0.00 175.76 175.97 1pw1 s MET 27 N -0.24 1.38 -0.19 0.00 0.23 0.04 -0.91 119.30 119.62 1pw1 s MET 27 Ca -0.04 -1.00 -0.20 0.00 -1.03 0.00 0.00 55.69 53.42 1pw1 s MET 27 Cb -0.03 0.49 0.05 0.00 -1.53 0.00 0.00 34.83 33.81 1pw1 s MET 27 CO 0.02 -0.57 0.56 0.54 -2.03 0.00 0.00 175.02 173.54 1pw1 s VAL 28 N -3.92 0.00 -0.06 5.16 0.11 -0.20 -1.24 120.40 120.25 1pw1 s VAL 28 Ca 0.13 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1pw1 s VAL 28 Cb -0.00 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.07 1pw1 s VAL 28 CO 0.00 -0.01 -0.12 -0.60 -3.33 0.00 0.00 175.10 171.04 1pw1 s ARG 29 N 0.11 1.60 -0.10 1.54 3.52 -0.28 -1.50 118.95 123.84 1pw1 s ARG 29 Ca -0.01 -0.42 0.02 0.00 -0.13 0.00 0.00 55.73 55.19 1pw1 s ARG 29 Cb -0.04 -1.35 -0.01 0.00 -1.56 0.00 0.00 34.95 31.99 1pw1 s ARG 29 CO 0.02 0.06 -0.17 0.08 -0.81 0.00 0.00 175.30 174.48 1pw1 s VAL 30 N 0.54 2.77 -0.43 7.11 1.01 0.40 -1.59 120.40 130.21 1pw1 s VAL 30 Ca -0.12 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1pw1 s VAL 30 Cb -0.14 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.20 1pw1 s VAL 30 CO 0.03 0.55 0.28 -1.81 0.00 0.00 0.00 175.10 174.15 1pw1 s ASP 31 N 0.10 5.69 -0.97 3.32 1.11 0.04 -0.73 116.67 125.22 1pw1 s ASP 31 Ca -0.08 -1.55 -0.09 0.00 0.18 0.00 0.00 52.55 51.01 1pw1 s ASP 31 Cb -0.15 -2.01 0.25 0.00 1.07 0.00 0.00 42.92 42.08 1pw1 s ASP 31 CO 0.05 -0.57 0.93 -0.62 1.18 0.00 0.00 175.17 176.14 1pw1 s ASP 32 N 2.24 6.86 -1.52 0.27 2.15 0.15 -1.63 116.67 125.19 1pw1 s ASP 32 Ca 0.03 -3.30 -0.08 0.00 0.43 0.00 0.00 52.55 49.63 1pw1 s ASP 32 Cb -0.24 -2.15 0.07 0.00 -0.30 0.00 0.00 42.92 40.30 1pw1 s ASP 32 CO 0.02 -0.36 0.63 -3.20 -0.17 0.00 0.00 175.17 172.08 1pw1 n ASN 33 N 3.08 -1.95 0.00 -0.34 5.15 0.01 -1.76 115.26 119.44 1pw1 n ASN 33 Ca 0.20 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 1pw1 n ASN 33 Cb 0.41 -3.10 0.00 0.00 -0.53 0.00 0.00 39.78 36.56 1pw1 n ASN 33 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pw1 n GLY 34 N -1.73 0.65 3.39 8.20 0.00 -1.26 -5.06 105.19 109.38 1pw1 n GLY 34 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1pw1 n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pw1 s THR 35 N -2.44 3.42 -0.05 2.61 2.01 -0.73 -5.11 115.64 115.36 1pw1 s THR 35 Ca 0.00 -0.51 -0.12 0.00 0.31 0.00 0.00 61.69 61.37 1pw1 s THR 35 Cb 0.00 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 1pw1 s THR 35 CO 0.00 0.48 0.31 -0.63 -0.69 0.00 0.00 174.62 174.08 1pw1 s ILE 36 N 0.77 5.22 -0.07 1.82 1.01 -1.26 -0.68 121.20 128.01 1pw1 s ILE 36 Ca -0.03 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.26 1pw1 s ILE 36 Cb -0.15 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1pw1 s ILE 36 CO 0.02 0.58 -0.20 -1.00 0.00 0.00 0.00 174.94 174.34 1pw1 s HIS 37 N -0.95 2.58 -0.15 3.97 3.76 0.09 -4.98 115.29 119.60 1pw1 s HIS 37 Ca 0.20 -0.52 -0.07 0.00 -0.15 0.00 0.00 55.06 54.53 1pw1 s HIS 37 Cb -0.15 -1.65 0.06 0.00 1.11 0.00 0.00 32.58 31.96 1pw1 s HIS 37 CO 0.09 -0.08 0.33 1.14 -0.85 0.00 0.00 174.74 175.38 1pw1 s GLN 38 N -0.27 0.27 0.01 1.40 -2.07 -1.26 -0.45 119.66 117.29 1pw1 s GLN 38 Ca 0.01 0.77 0.00 0.00 -1.82 0.00 0.00 55.36 54.31 1pw1 s GLN 38 Cb -0.13 0.02 -0.01 0.00 -1.09 0.00 0.00 33.01 31.80 1pw1 s GLN 38 CO 0.03 -0.21 -0.02 -0.51 -1.32 0.00 0.00 175.29 173.26 1pw1 s LEU 39 N 1.89 2.11 -0.03 2.60 1.02 -0.56 -5.03 118.68 120.69 1pw1 s LEU 39 Ca -0.05 -0.24 -0.16 0.00 0.02 0.00 0.00 54.13 53.69 1pw1 s LEU 39 Cb -0.11 0.03 0.03 0.00 0.02 0.00 0.00 46.19 46.16 1pw1 s LEU 39 CO -0.11 -0.14 0.35 -0.94 0.02 0.00 0.00 176.35 175.54 1pw1 s SER 40 N -0.70 -0.25 -0.04 2.29 1.04 -1.26 -1.04 113.70 113.74 1pw1 s SER 40 Ca -0.07 0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.50 1pw1 s SER 40 Cb -0.05 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1pw1 s SER 40 CO -0.00 -0.44 0.14 -0.70 0.98 0.00 0.00 173.24 173.21 1pw1 s GLU 41 N -1.20 0.23 1.12 4.02 2.12 -0.08 -5.00 118.70 119.91 1pw1 s GLU 41 Ca -0.12 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1pw1 s GLU 41 Cb -0.05 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.45 1pw1 s GLU 41 CO 0.05 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1pw1 n GLY 42 N 2.66 -1.10 3.30 -1.50 0.00 -1.26 -1.29 105.19 105.99 1pw1 n GLY 42 Ca -0.15 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 1pw1 n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pw1 s VAL 43 N 0.00 1.98 0.11 1.61 -7.23 -0.30 -1.26 120.40 115.32 1pw1 s VAL 43 Ca 0.00 -1.13 -0.08 0.00 -1.81 0.00 0.00 61.98 58.96 1pw1 s VAL 43 Cb 0.00 -1.66 -0.19 0.00 0.56 0.00 0.00 36.38 35.09 1pw1 s VAL 43 CO 0.00 0.51 1.28 0.00 -0.31 0.00 0.00 175.10 176.58 1pw1 h ALA 44 N 5.36 0.30 -3.43 1.32 0.00 -0.91 -3.18 119.26 118.73 1pw1 h ALA 44 Ca -0.43 -0.69 -0.56 0.00 0.00 0.00 0.00 54.91 53.23 1pw1 h ALA 44 Cb 1.13 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.54 1pw1 h ALA 44 CO 0.46 0.75 -0.78 0.34 0.00 0.00 0.00 179.25 180.03 1pw1 s ASP 45 N -7.15 3.23 0.49 0.00 -1.08 -1.12 -0.76 116.67 110.28 1pw1 s ASP 45 Ca -0.08 -0.90 0.29 0.00 -0.52 0.00 0.00 52.55 51.34 1pw1 s ASP 45 Cb 0.08 -0.91 0.90 0.00 -1.46 0.00 0.00 42.92 41.53 1pw1 s ASP 45 CO 0.89 -0.24 1.81 0.08 0.52 0.00 0.00 175.17 178.23 1pw1 h ARG 46 N 8.10 0.00 0.14 4.34 0.11 -1.87 0.39 114.38 125.59 1pw1 h ARG 46 Ca -0.19 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.62 1pw1 h ARG 46 Cb 1.10 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.19 1pw1 h ARG 46 CO 0.38 0.00 -1.32 0.00 0.10 0.00 0.00 179.97 179.13 1pw1 h ALA 47 N 2.02 0.08 0.00 0.08 0.00 -1.98 -3.35 119.26 116.11 1pw1 h ALA 47 Ca 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 54.91 53.89 1pw1 h ALA 47 Cb 0.73 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1pw1 h ALA 47 CO 0.00 0.73 -0.60 1.79 0.00 0.00 0.00 179.25 181.17 1pw1 h THR 48 N -0.23 0.22 0.00 0.00 1.35 -2.00 -3.48 112.91 108.78 1pw1 h THR 48 Ca -0.27 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1pw1 h THR 48 Cb 1.81 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 70.15 1pw1 h THR 48 CO 0.12 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 1pw1 n GLY 49 N 1.19 0.70 3.71 5.82 0.00 0.11 -5.02 105.19 111.71 1pw1 n GLY 49 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1pw1 n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pw1 s ARG 50 N -0.11 4.16 0.44 1.61 3.52 -1.12 -4.88 118.95 122.57 1pw1 s ARG 50 Ca 0.00 2.50 -0.24 0.00 -0.13 0.00 0.00 55.73 57.86 1pw1 s ARG 50 Cb 0.00 -3.21 -0.08 0.00 -1.56 0.00 0.00 34.95 30.10 1pw1 s ARG 50 CO 0.00 -0.72 1.23 0.00 -0.81 0.00 0.00 175.30 175.00 1pw1 s ALA 51 N 1.49 3.08 0.44 6.12 0.00 -1.26 -0.43 121.76 131.20 1pw1 s ALA 51 Ca 0.74 1.08 -0.21 0.00 0.00 0.00 0.00 51.96 53.57 1pw1 s ALA 51 Cb -0.46 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.12 1pw1 s ALA 51 CO 0.32 -0.76 0.99 -1.50 0.00 0.00 0.00 175.76 174.81 1pw1 s ILE 52 N -1.40 4.09 0.09 0.00 2.07 -0.39 -4.18 121.20 121.48 1pw1 s ILE 52 Ca 0.61 1.35 -0.06 0.00 -1.41 0.00 0.00 60.65 61.14 1pw1 s ILE 52 Cb -0.33 -3.57 -0.01 0.00 0.13 0.00 0.00 42.46 38.67 1pw1 s ILE 52 CO 0.41 -0.24 0.14 0.28 -1.91 0.00 0.00 174.94 173.63 1pw1 s THR 53 N -2.03 0.15 -1.20 4.00 -1.32 -1.26 -4.71 115.64 109.27 1pw1 s THR 53 Ca 0.63 -1.38 0.17 0.00 -1.21 0.00 0.00 61.69 59.90 1pw1 s THR 53 Cb -0.13 -1.46 0.22 0.00 -1.51 0.00 0.00 72.50 69.62 1pw1 s THR 53 CO 0.17 -0.70 1.54 0.35 -2.21 0.00 0.00 174.62 173.78 1pw1 n THR 54 N -0.03 0.65 1.29 5.08 -2.24 -1.26 -1.37 114.28 116.40 1pw1 n THR 54 Ca -0.14 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 1pw1 n THR 54 Cb 0.62 -0.87 0.36 0.00 -2.10 0.00 0.00 70.33 68.34 1pw1 n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pw1 n THR 55 N -1.40 0.00 -2.15 4.28 -2.24 -1.26 -4.18 114.28 107.34 1pw1 n THR 55 Ca 0.06 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1pw1 n THR 55 Cb 0.17 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 1pw1 n THR 55 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1pw1 s ASP 56 N -2.25 6.81 0.70 3.42 1.01 -0.47 -4.94 116.67 120.94 1pw1 s ASP 56 Ca 0.29 2.42 -0.13 0.00 0.71 0.00 0.00 52.55 55.84 1pw1 s ASP 56 Cb 0.20 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.55 1pw1 s ASP 56 CO 0.43 -0.63 1.09 -0.13 0.21 0.00 0.00 175.17 176.15 1pw1 s ARG 57 N 0.50 2.67 0.27 8.23 0.52 -0.77 -4.63 118.95 125.74 1pw1 s ARG 57 Ca 0.62 1.26 -0.21 0.00 -0.52 0.00 0.00 55.73 56.88 1pw1 s ARG 57 Cb -0.38 -1.94 0.02 0.00 0.52 0.00 0.00 34.95 33.17 1pw1 s ARG 57 CO 0.35 -1.34 0.70 -0.59 0.02 0.00 0.00 175.30 174.43 1pw1 s PHE 58 N -2.60 -0.19 -0.20 -0.53 -0.12 -0.42 -1.16 117.98 112.75 1pw1 s PHE 58 Ca 0.64 -0.24 -0.21 0.00 -0.05 0.00 0.00 56.93 57.06 1pw1 s PHE 58 Cb -0.18 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 42.85 1pw1 s PHE 58 CO 0.47 -1.19 0.64 1.03 -0.05 0.00 0.00 175.22 176.12 1pw1 s ARG 59 N -3.91 4.20 0.00 1.99 0.52 -1.26 -1.37 118.95 119.12 1pw1 s ARG 59 Ca 0.11 0.64 0.27 0.00 -0.52 0.00 0.00 55.73 56.23 1pw1 s ARG 59 Cb -0.05 -3.59 0.93 0.00 0.52 0.00 0.00 34.95 32.76 1pw1 s ARG 59 CO 0.05 -0.27 1.67 1.33 0.02 0.00 0.00 175.30 178.10 1pw1 n VAL 60 N 4.77 0.00 -1.57 3.52 0.24 -0.75 -4.82 118.33 119.73 1pw1 n VAL 60 Ca -0.01 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1pw1 n VAL 60 Cb 0.49 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 1pw1 n VAL 60 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pw1 n GLY 61 N 1.29 2.77 0.00 7.63 0.00 -1.22 -2.58 105.19 113.07 1pw1 n GLY 61 Ca 0.14 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1pw1 n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pw1 n SER 62 N 1.64 0.00 0.07 1.61 7.64 -1.25 -1.09 113.62 122.24 1pw1 n SER 62 Ca 0.00 -0.16 0.19 0.00 1.01 0.00 0.00 58.87 59.91 1pw1 n SER 62 Cb 0.00 -0.16 0.72 0.00 -1.01 0.00 0.00 64.21 63.76 1pw1 n SER 62 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1pw1 h VAL 63 N 0.00 0.64 -0.98 0.44 2.07 -1.41 -0.28 116.25 116.74 1pw1 h VAL 63 Ca 0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 1pw1 h VAL 63 Cb 0.08 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1pw1 h VAL 63 CO 0.00 0.00 0.67 0.74 0.02 0.00 0.00 177.57 179.00 1pw1 h THR 64 N 0.00 0.56 -0.13 2.57 2.02 -1.33 -1.07 112.91 115.54 1pw1 h THR 64 Ca 0.20 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1pw1 h THR 64 Cb 0.87 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1pw1 h THR 64 CO -0.00 0.04 -0.00 0.11 0.37 0.00 0.00 175.52 176.04 1pw1 h LYS 65 N 0.23 0.18 -0.25 6.66 1.57 -1.22 -0.63 116.57 123.11 1pw1 h LYS 65 Ca 0.50 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 59.15 1pw1 h LYS 65 Cb 1.58 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.84 1pw1 h LYS 65 CO -0.14 0.20 -0.32 0.77 -0.57 0.00 0.00 179.45 179.39 1pw1 h SER 66 N 0.18 0.54 -0.31 0.86 0.02 -1.23 0.13 113.55 113.73 1pw1 h SER 66 Ca 0.04 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1pw1 h SER 66 Cb 0.13 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1pw1 h SER 66 CO 0.00 0.83 0.09 -0.26 -1.14 0.00 0.00 176.83 176.35 1pw1 h PHE 67 N 0.45 0.51 -0.72 3.45 -1.00 -1.22 -1.47 116.94 116.93 1pw1 h PHE 67 Ca 0.05 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1pw1 h PHE 67 Cb 0.78 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 40.16 1pw1 h PHE 67 CO 0.03 0.53 0.40 0.77 -1.61 0.00 0.00 178.31 178.43 1pw1 h SER 68 N 0.34 0.90 -0.54 2.17 0.02 -0.97 -2.23 113.55 113.24 1pw1 h SER 68 Ca 0.10 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1pw1 h SER 68 Cb 0.27 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1pw1 h SER 68 CO -0.00 0.74 0.07 0.00 -1.14 0.00 0.00 176.83 176.49 1pw1 h ALA 69 N 1.20 1.02 -0.36 3.77 0.00 -0.63 -1.56 119.26 122.71 1pw1 h ALA 69 Ca 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pw1 h ALA 69 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1pw1 h ALA 69 CO -0.04 0.62 0.21 0.28 0.00 0.00 0.00 179.25 180.32 1pw1 h VAL 70 N 0.90 1.12 -0.25 0.00 2.07 -1.01 0.42 116.25 119.49 1pw1 h VAL 70 Ca 0.18 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1pw1 h VAL 70 Cb 0.43 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1pw1 h VAL 70 CO 0.01 0.12 0.12 0.58 0.02 0.00 0.00 177.57 178.42 1pw1 h VAL 71 N 0.46 0.98 -0.79 2.57 2.07 -1.14 -0.94 116.25 119.47 1pw1 h VAL 71 Ca 0.13 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1pw1 h VAL 71 Cb 0.01 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1pw1 h VAL 71 CO -0.02 0.05 0.40 -0.07 0.02 0.00 0.00 177.57 177.94 1pw1 h LEU 72 N 0.26 1.01 -0.80 2.57 3.38 -0.97 -1.53 115.31 119.22 1pw1 h LEU 72 Ca 0.11 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1pw1 h LEU 72 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1pw1 h LEU 72 CO -0.08 0.84 -0.60 -0.07 0.09 0.00 0.00 178.44 178.62 1pw1 h LEU 73 N 1.11 0.00 -0.82 1.67 3.38 -0.67 -0.73 115.31 119.26 1pw1 h LEU 73 Ca 0.27 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 1pw1 h LEU 73 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1pw1 h LEU 73 CO -0.04 0.60 -0.03 1.56 0.09 0.00 0.00 178.44 180.61 1pw1 h GLN 74 N 0.00 0.85 -0.45 1.13 4.20 -0.65 -0.91 115.11 119.28 1pw1 h GLN 74 Ca -0.01 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 1pw1 h GLN 74 Cb 1.06 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1pw1 h GLN 74 CO 0.08 0.88 0.08 -0.07 -0.67 0.00 0.00 178.83 179.12 1pw1 h LEU 75 N 0.79 0.64 -0.24 1.46 3.38 -0.49 -0.43 115.31 120.42 1pw1 h LEU 75 Ca 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1pw1 h LEU 75 Cb 0.52 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1pw1 h LEU 75 CO 0.03 0.66 0.09 0.58 0.09 0.00 0.00 178.44 179.89 1pw1 h VAL 76 N 0.67 1.18 -0.95 1.22 2.07 -0.71 -1.09 116.25 118.63 1pw1 h VAL 76 Ca 0.15 -0.54 0.16 0.00 0.82 0.00 0.00 66.70 67.28 1pw1 h VAL 76 Cb 0.30 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 1pw1 h VAL 76 CO 0.00 0.18 0.60 0.44 0.02 0.00 0.00 177.57 178.81 1pw1 h ASP 77 N 0.23 0.73 0.11 0.57 3.32 -0.62 -1.42 116.42 119.34 1pw1 h ASP 77 Ca 0.08 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1pw1 h ASP 77 Cb 0.19 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1pw1 h ASP 77 CO -0.01 0.34 -0.01 -0.62 -1.72 0.00 0.00 179.24 177.23 1pw1 n GLU 78 N -4.62 0.95 -0.90 3.56 1.02 -0.22 -4.92 120.64 115.52 1pw1 n GLU 78 Ca 0.19 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1pw1 n GLU 78 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1pw1 n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pw1 n GLY 79 N 1.08 0.53 0.01 0.62 0.00 -0.53 -4.93 105.19 101.97 1pw1 n GLY 79 Ca 0.21 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1pw1 n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pw1 n LYS 80 N -2.90 0.08 -3.75 1.61 5.02 -0.47 -4.92 118.16 112.84 1pw1 n LYS 80 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1pw1 n LYS 80 Cb 0.00 -1.53 -0.12 0.00 -0.02 0.00 0.00 35.03 33.36 1pw1 n LYS 80 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1pw1 s LEU 81 N -3.27 0.60 -0.22 -0.35 2.96 -1.21 -4.96 118.68 112.22 1pw1 s LEU 81 Ca 0.09 0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 54.58 1pw1 s LEU 81 Cb 0.16 0.96 0.00 0.00 0.50 0.00 0.00 46.19 47.82 1pw1 s LEU 81 CO 0.76 -0.13 -0.07 -0.62 -1.32 0.00 0.00 176.35 174.96 1pw1 s ASP 82 N 0.68 4.12 0.55 3.68 -1.08 -1.26 -4.22 116.67 119.14 1pw1 s ASP 82 Ca -0.04 -0.50 0.22 0.00 -0.52 0.00 0.00 52.55 51.70 1pw1 s ASP 82 Cb -0.06 -1.69 1.48 0.00 -1.46 0.00 0.00 42.92 41.19 1pw1 s ASP 82 CO -0.04 -0.03 2.17 -0.07 0.52 0.00 0.00 175.17 177.71 1pw1 h LEU 83 N 8.08 0.00 -1.71 -1.34 3.38 -1.99 -2.32 115.31 119.41 1pw1 h LEU 83 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1pw1 h LEU 83 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1pw1 h LEU 83 CO 0.61 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.61 1pw1 n ASP 84 N -4.26 2.60 -4.82 -0.43 8.00 -1.26 -0.31 116.55 116.06 1pw1 n ASP 84 Ca -0.02 -1.85 -0.32 0.00 0.71 0.00 0.00 54.79 53.31 1pw1 n ASP 84 Cb 0.15 -0.11 -0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1pw1 n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pw1 s ALA 85 N -1.78 2.86 0.43 2.24 0.00 -0.87 -4.83 121.76 119.81 1pw1 s ALA 85 Ca 0.34 0.29 -0.26 0.00 0.00 0.00 0.00 51.96 52.33 1pw1 s ALA 85 Cb 0.20 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 1pw1 s ALA 85 CO 0.30 -0.63 1.45 0.45 0.00 0.00 0.00 175.76 177.33 1pw1 n SER 86 N -1.95 3.45 -0.29 0.00 2.88 -1.26 -1.61 113.62 114.84 1pw1 n SER 86 Ca 0.08 1.15 0.06 0.00 -1.33 0.00 0.00 58.87 58.83 1pw1 n SER 86 Cb 0.53 -1.61 0.21 0.00 -0.75 0.00 0.00 64.21 62.60 1pw1 n SER 86 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1pw1 h VAL 87 N 2.48 0.72 0.00 2.46 2.07 -1.38 -1.97 116.25 120.64 1pw1 h VAL 87 Ca -0.51 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1pw1 h VAL 87 Cb 1.26 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1pw1 h VAL 87 CO 0.62 0.11 0.00 0.78 0.02 0.00 0.00 177.57 179.10 1pw1 h ASN 88 N 0.59 0.00 -0.80 0.57 4.21 -1.80 -0.90 115.58 117.44 1pw1 h ASN 88 Ca 0.45 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.97 1pw1 h ASN 88 Cb 0.63 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.79 1pw1 h ASN 88 CO -0.36 0.00 0.53 0.74 -1.29 0.00 0.00 177.43 177.05 1pw1 h THR 89 N 0.00 1.20 0.00 2.81 2.02 -1.72 -2.75 112.91 114.47 1pw1 h THR 89 Ca 0.00 -0.37 -0.29 0.00 0.77 0.00 0.00 66.41 66.52 1pw1 h THR 89 Cb 0.35 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 1pw1 h THR 89 CO 0.00 0.20 -2.14 -1.22 0.37 0.00 0.00 175.52 172.72 1pw1 n TYR 90 N -4.42 0.25 -3.47 3.16 4.01 -0.44 -4.65 117.16 111.60 1pw1 n TYR 90 Ca 0.09 0.09 -0.27 0.00 -0.16 0.00 0.00 57.90 57.65 1pw1 n TYR 90 Cb 0.03 -0.98 -0.09 0.00 -0.31 0.00 0.00 39.34 38.00 1pw1 n TYR 90 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1pw1 n LEU 91 N -2.75 2.16 -4.64 7.72 4.77 -0.65 -4.99 117.00 118.62 1pw1 n LEU 91 Ca -0.25 -5.07 -0.46 0.00 -0.03 0.00 0.00 56.01 50.21 1pw1 n LEU 91 Cb 1.04 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.89 1pw1 n LEU 91 CO 0.44 1.96 0.90 -2.65 -1.33 0.00 0.00 177.39 176.71 1pw1 n PRO 92 N 1.51 1.74 -0.95 3.23 -0.02 -1.04 -1.99 135.00 137.48 1pw1 n PRO 92 Ca 0.26 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1pw1 n PRO 92 Cb 0.43 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1pw1 n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pw1 n GLY 93 N 2.04 0.38 0.07 -1.23 0.00 -1.26 -4.91 105.19 100.28 1pw1 n GLY 93 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1pw1 n GLY 93 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pw1 h LEU 94 N 0.00 -0.02 -9.62 0.99 5.85 -1.74 -3.44 115.31 107.32 1pw1 h LEU 94 Ca 0.00 -0.48 -0.64 0.00 0.84 0.00 0.00 57.88 57.60 1pw1 h LEU 94 Cb 0.29 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 1pw1 h LEU 94 CO 0.00 0.48 -0.60 -0.76 -0.34 0.00 0.00 178.44 177.22 1pw1 s LEU 95 N -9.20 3.80 0.43 2.25 1.43 -1.26 -5.01 118.68 111.12 1pw1 s LEU 95 Ca -0.16 0.00 0.22 0.00 -1.03 0.00 0.00 54.13 53.16 1pw1 s LEU 95 Cb 0.01 -2.45 0.92 0.00 0.03 0.00 0.00 46.19 44.70 1pw1 s LEU 95 CO 0.66 0.18 1.84 1.55 0.23 0.00 0.00 176.35 180.81 1pw1 h PRO 96 N 3.39 0.00 -4.66 1.29 0.13 -2.01 -3.40 132.00 126.74 1pw1 h PRO 96 Ca -0.47 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.96 1pw1 h PRO 96 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 1pw1 h PRO 96 CO 0.65 0.27 -0.55 0.34 -0.23 0.00 0.00 178.00 178.48 1pw1 s ASP 97 N -6.32 5.55 0.00 1.44 3.68 -1.26 -4.92 116.67 114.84 1pw1 s ASP 97 Ca -0.01 -0.94 0.29 0.00 2.13 0.00 0.00 52.55 54.03 1pw1 s ASP 97 Cb 0.11 -1.97 1.71 0.00 -1.45 0.00 0.00 42.92 41.32 1pw1 s ASP 97 CO 0.65 -0.33 2.08 -0.90 0.13 0.00 0.00 175.17 176.81 1pw1 n ASP 98 N 4.94 0.00 0.15 -0.34 3.85 -1.26 -2.29 116.55 121.60 1pw1 n ASP 98 Ca -0.12 -1.04 0.06 0.00 -0.71 0.00 0.00 54.79 52.97 1pw1 n ASP 98 Cb 0.46 0.00 0.06 0.00 -1.35 0.00 0.00 41.12 40.29 1pw1 n ASP 98 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 1pw1 h ARG 99 N 0.00 0.00 -6.54 0.11 2.47 -1.96 -3.44 114.38 105.02 1pw1 h ARG 99 Ca 0.00 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.19 1pw1 h ARG 99 Cb 0.00 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.34 1pw1 h ARG 99 CO 0.00 0.31 0.64 0.42 0.56 0.00 0.00 179.97 181.90 1pw1 s ILE 100 N -3.05 3.62 0.40 2.04 1.01 -0.97 -4.92 121.20 119.33 1pw1 s ILE 100 Ca 0.04 1.19 0.08 0.00 0.00 0.00 0.00 60.65 61.96 1pw1 s ILE 100 Cb 0.07 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 1pw1 s ILE 100 CO 0.73 0.11 0.39 0.42 0.00 0.00 0.00 174.94 176.59 1pw1 s THR 101 N 0.92 2.95 0.19 2.92 -4.23 -1.26 -1.08 115.64 116.05 1pw1 s THR 101 Ca 0.61 -1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 59.71 1pw1 s THR 101 Cb -0.33 -3.05 0.10 0.00 1.34 0.00 0.00 72.50 70.55 1pw1 s THR 101 CO 0.31 -0.04 1.85 0.58 -0.54 0.00 0.00 174.62 176.77 1pw1 h VAL 102 N 1.01 1.14 -0.98 2.29 2.07 -1.26 -1.76 116.25 118.75 1pw1 h VAL 102 Ca -0.42 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1pw1 h VAL 102 Cb 1.27 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1pw1 h VAL 102 CO 0.55 0.15 0.62 -0.09 0.02 0.00 0.00 177.57 178.82 1pw1 h ARG 103 N 0.80 1.31 -0.42 1.57 2.43 -0.95 -0.88 114.38 118.24 1pw1 h ARG 103 Ca 0.23 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1pw1 h ARG 103 Cb -0.07 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.18 1pw1 h ARG 103 CO -0.06 0.89 0.11 1.96 -1.51 0.00 0.00 179.97 181.35 1pw1 h GLN 104 N 1.34 0.68 -0.71 0.20 4.20 -1.70 -2.23 115.11 116.89 1pw1 h GLN 104 Ca 0.36 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1pw1 h GLN 104 Cb -0.11 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 1pw1 h GLN 104 CO -0.07 0.69 0.38 -0.39 -0.67 0.00 0.00 178.83 178.76 1pw1 h VAL 105 N 0.55 1.22 0.00 -0.54 -1.51 -0.96 0.62 116.25 115.63 1pw1 h VAL 105 Ca 0.13 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1pw1 h VAL 105 Cb 0.31 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 29.77 1pw1 h VAL 105 CO 0.00 0.25 0.00 0.24 -1.23 0.00 0.00 177.57 176.83 1pw1 h MET 106 N 0.98 0.00 -0.29 5.19 2.86 -0.94 -2.75 114.93 119.98 1pw1 h MET 106 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1pw1 h MET 106 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1pw1 h MET 106 CO -0.04 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.80 1pw1 n SER 107 N -2.51 3.01 -3.66 1.22 3.41 -0.86 -1.88 113.62 112.36 1pw1 n SER 107 Ca 0.02 -2.23 -0.26 0.00 -0.26 0.00 0.00 58.87 56.14 1pw1 n SER 107 Cb 0.28 -0.28 0.05 0.00 -0.26 0.00 0.00 64.21 64.01 1pw1 n SER 107 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pw1 n HIS 108 N 0.16 -2.57 -1.30 7.33 8.25 -0.97 -4.83 115.22 121.30 1pw1 n HIS 108 Ca 0.12 0.92 0.06 0.00 -0.26 0.00 0.00 57.72 58.56 1pw1 n HIS 108 Cb 0.51 -4.55 0.19 0.00 1.12 0.00 0.00 29.99 27.26 1pw1 n HIS 108 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1pw1 n ARG 109 N -4.77 1.72 0.11 -0.41 1.74 0.17 -0.77 116.66 114.45 1pw1 n ARG 109 Ca 0.01 -2.96 0.07 0.00 -0.77 0.00 0.00 57.85 54.20 1pw1 n ARG 109 Cb 0.55 -1.65 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 1pw1 n ARG 109 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1pw1 h SER 110 N 0.76 0.00 0.00 0.55 4.64 -1.83 0.39 113.55 118.06 1pw1 h SER 110 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1pw1 h SER 110 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1pw1 h SER 110 CO 0.11 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 1pw1 n GLY 111 N 1.23 0.89 3.73 -0.77 0.00 -1.26 -4.34 105.19 104.67 1pw1 n GLY 111 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1pw1 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pw1 s LEU 112 N 0.00 4.37 0.35 0.99 1.43 -1.26 -0.62 118.68 123.94 1pw1 s LEU 112 Ca 0.00 2.67 -0.29 0.00 -1.03 0.00 0.00 54.13 55.48 1pw1 s LEU 112 Cb 0.00 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.51 1pw1 s LEU 112 CO 0.00 -0.80 1.43 -0.47 0.23 0.00 0.00 176.35 176.75 1pw1 s TYR 113 N 0.67 2.78 -0.63 0.29 5.04 -1.26 -4.77 117.35 119.47 1pw1 s TYR 113 Ca 0.66 1.21 -0.25 0.00 -2.44 0.00 0.00 57.07 56.26 1pw1 s TYR 113 Cb -0.44 -3.90 0.05 0.00 0.35 0.00 0.00 41.96 38.02 1pw1 s TYR 113 CO 0.37 -2.64 1.04 0.34 -1.34 0.00 0.00 175.55 173.31 1pw1 s ASP 114 N -0.17 6.26 0.60 4.32 -1.08 -1.26 -4.64 116.67 120.69 1pw1 s ASP 114 Ca 0.53 -0.53 0.30 0.00 -0.52 0.00 0.00 52.55 52.33 1pw1 s ASP 114 Cb -0.44 -2.47 1.72 0.00 -1.46 0.00 0.00 42.92 40.27 1pw1 s ASP 114 CO 0.57 -1.44 2.11 0.10 0.52 0.00 0.00 175.17 177.03 1pw1 h TYR 115 N 9.56 0.00 0.00 -5.34 -0.00 -1.91 -1.34 116.97 117.94 1pw1 h TYR 115 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.46 1pw1 h TYR 115 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.80 1pw1 h TYR 115 CO 0.99 0.00 0.00 1.79 -0.00 0.00 0.00 178.16 180.94 1pw1 h THR 116 N 0.00 0.00 0.00 -0.90 1.35 -1.95 -1.85 112.91 109.56 1pw1 h THR 116 Ca 0.07 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.44 1pw1 h THR 116 Cb 0.47 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1pw1 h THR 116 CO -0.00 0.00 -0.05 0.78 -0.25 0.00 0.00 175.52 176.00 1pw1 h ASN 117 N 0.00 0.00 0.18 5.36 -0.26 -1.64 -1.39 115.58 117.83 1pw1 h ASN 117 Ca 0.00 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.42 1pw1 h ASN 117 Cb 0.51 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.80 1pw1 h ASN 117 CO 0.00 0.05 -1.35 0.44 -1.06 0.00 0.00 177.43 175.51 1pw1 h ASP 118 N 0.00 0.88 -0.22 5.81 3.32 -1.51 -3.34 116.42 121.35 1pw1 h ASP 118 Ca -0.00 -0.86 -0.14 0.00 0.02 0.00 0.00 57.03 56.06 1pw1 h ASP 118 Cb 0.26 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1pw1 h ASP 118 CO 0.01 1.66 -0.35 0.24 -1.72 0.00 0.00 179.24 179.08 1pw1 h MET 119 N 0.23 0.74 -0.12 3.56 2.86 -1.21 -3.31 114.93 117.68 1pw1 h MET 119 Ca -0.22 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.01 1pw1 h MET 119 Cb 2.03 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.65 1pw1 h MET 119 CO 0.26 0.98 -0.27 1.19 1.06 0.00 0.00 176.91 180.12 1pw1 n PHE 120 N -4.06 0.39 -0.29 -0.22 3.72 -0.61 -4.25 117.46 112.14 1pw1 n PHE 120 Ca -0.01 -1.43 0.15 0.00 -0.05 0.00 0.00 57.45 56.11 1pw1 n PHE 120 Cb 0.50 -0.32 0.42 0.00 -0.94 0.00 0.00 39.48 39.14 1pw1 n PHE 120 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pw1 h ALA 121 N 0.91 1.94 -3.03 4.37 0.00 -1.68 -3.34 119.26 118.43 1pw1 h ALA 121 Ca 0.07 0.04 -0.66 0.00 0.00 0.00 0.00 54.91 54.35 1pw1 h ALA 121 Cb 1.23 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.65 1pw1 h ALA 121 CO 0.13 -0.24 -0.77 -0.65 0.00 0.00 0.00 179.25 177.72 1pw1 s GLN 122 N -5.63 3.25 0.05 0.00 -0.21 -1.26 -5.07 119.66 110.80 1pw1 s GLN 122 Ca -0.10 -0.69 -0.35 0.00 0.02 0.00 0.00 55.36 54.24 1pw1 s GLN 122 Cb 0.23 -2.85 -0.19 0.00 1.00 0.00 0.00 33.01 31.20 1pw1 s GLN 122 CO 0.79 -0.18 1.51 1.15 -2.12 0.00 0.00 175.29 176.44 1pw1 h THR 123 N 5.77 0.12 -0.03 -0.19 2.02 -1.94 -0.86 112.91 117.80 1pw1 h THR 123 Ca -0.42 -0.06 -0.14 0.00 0.77 0.00 0.00 66.41 66.56 1pw1 h THR 123 Cb 1.16 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1pw1 h THR 123 CO 0.61 0.00 -0.51 0.58 0.37 0.00 0.00 175.52 176.57 1pw1 h VAL 124 N -1.20 1.43 -0.94 3.16 2.07 -1.94 -1.77 116.25 117.05 1pw1 h VAL 124 Ca -0.12 -1.98 0.06 0.00 0.82 0.00 0.00 66.70 65.49 1pw1 h VAL 124 Cb 0.89 2.51 -0.07 0.00 -1.52 0.00 0.00 31.29 33.10 1pw1 h VAL 124 CO 0.19 0.57 0.60 -0.65 0.02 0.00 0.00 177.57 178.31 1pw1 h PRO 125 N -0.11 1.05 -0.51 1.57 0.11 -1.97 -0.09 132.00 132.05 1pw1 h PRO 125 Ca -0.06 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.86 1pw1 h PRO 125 Cb 1.21 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1pw1 h PRO 125 CO 0.10 0.70 -0.17 0.78 -0.21 0.00 0.00 178.00 179.20 1pw1 h GLY 126 N 1.09 1.11 0.93 -0.55 0.00 -1.12 -0.33 103.07 104.20 1pw1 h GLY 126 Ca 0.41 -0.95 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1pw1 h GLY 126 CO -0.17 0.87 0.18 -2.75 0.00 0.00 0.00 176.54 174.66 1pw1 h PHE 127 N 0.89 0.34 -0.11 5.60 3.57 -0.83 -2.26 116.94 124.14 1pw1 h PHE 127 Ca 0.12 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1pw1 h PHE 127 Cb 0.75 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1pw1 h PHE 127 CO 0.05 0.20 -0.02 1.49 -2.23 0.00 0.00 178.31 177.80 1pw1 h GLU 128 N 0.37 0.15 -0.35 1.11 4.81 -0.72 -0.32 114.58 119.63 1pw1 h GLU 128 Ca 0.12 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1pw1 h GLU 128 Cb -0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1pw1 h GLU 128 CO -0.06 0.20 -0.17 0.66 -0.73 0.00 0.00 179.01 178.91 1pw1 h SER 129 N 0.15 0.77 0.00 1.04 4.64 -0.61 -3.34 113.55 116.20 1pw1 h SER 129 Ca 0.04 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1pw1 h SER 129 Cb 0.15 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1pw1 h SER 129 CO 0.00 1.00 -1.33 1.33 -0.87 0.00 0.00 176.83 176.97 1pw1 n VAL 130 N -4.31 0.00 0.14 0.95 0.24 -0.89 -4.62 118.33 109.84 1pw1 n VAL 130 Ca -0.02 -0.18 0.04 0.00 -2.04 0.00 0.00 64.34 62.14 1pw1 n VAL 130 Cb 0.40 0.65 0.45 0.00 -1.47 0.00 0.00 33.84 33.87 1pw1 n VAL 130 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1pw1 h ARG 131 N 0.00 0.21 -0.21 7.34 0.11 -1.20 -1.76 114.38 118.87 1pw1 h ARG 131 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1pw1 h ARG 131 Cb 0.66 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.70 1pw1 h ARG 131 CO 0.00 0.29 0.00 0.27 0.10 0.00 0.00 179.97 180.63 1pw1 n ASN 132 N -4.35 3.57 -4.88 0.08 6.94 -1.26 -1.01 115.26 114.35 1pw1 n ASN 132 Ca -0.01 -3.00 -0.34 0.00 -0.02 0.00 0.00 54.58 51.21 1pw1 n ASN 132 Cb 0.21 -0.51 -0.05 0.00 -2.36 0.00 0.00 39.78 37.07 1pw1 n ASN 132 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pw1 s LYS 133 N -2.78 3.65 -0.20 -3.83 1.02 -0.66 -5.00 119.74 111.93 1pw1 s LYS 133 Ca 0.40 0.00 -0.03 0.00 0.02 0.00 0.00 55.97 56.36 1pw1 s LYS 133 Cb 0.32 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1pw1 s LYS 133 CO 0.08 0.57 -0.06 0.08 -0.92 0.00 0.00 175.35 175.10 1pw1 s VAL 134 N -1.42 3.27 0.05 3.17 1.01 -1.26 -4.43 120.40 120.78 1pw1 s VAL 134 Ca 0.33 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1pw1 s VAL 134 Cb -0.13 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1pw1 s VAL 134 CO 0.19 0.45 -0.02 -0.36 0.00 0.00 0.00 175.10 175.35 1pw1 s PHE 135 N 1.28 2.97 0.73 5.22 0.08 -1.26 -5.11 117.98 121.88 1pw1 s PHE 135 Ca 0.03 -0.01 -0.12 0.00 0.12 0.00 0.00 56.93 56.95 1pw1 s PHE 135 Cb -0.14 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 40.76 1pw1 s PHE 135 CO -0.03 0.45 1.11 -1.54 -0.10 0.00 0.00 175.22 175.11 1pw1 s SER 136 N -1.91 5.26 0.18 1.36 1.04 -1.26 -4.98 113.70 113.39 1pw1 s SER 136 Ca 0.22 1.08 -0.13 0.00 0.48 0.00 0.00 55.95 57.61 1pw1 s SER 136 Cb -0.11 -1.83 0.14 0.00 0.10 0.00 0.00 66.02 64.31 1pw1 s SER 136 CO 0.13 -1.46 1.81 1.88 0.98 0.00 0.00 173.24 176.59 1pw1 h TYR 137 N -0.74 0.59 -0.33 5.02 0.99 -1.96 -2.32 116.97 118.22 1pw1 h TYR 137 Ca -0.45 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.25 1pw1 h TYR 137 Cb 1.27 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 38.79 1pw1 h TYR 137 CO 0.47 0.32 0.02 0.37 -0.00 0.00 0.00 178.16 179.33 1pw1 h GLN 138 N 0.62 0.50 -0.58 4.88 5.75 -1.97 -1.54 115.11 122.77 1pw1 h GLN 138 Ca 0.23 -0.10 0.07 0.00 -0.15 0.00 0.00 58.65 58.70 1pw1 h GLN 138 Cb 0.07 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 1pw1 h GLN 138 CO -0.12 0.51 0.27 -0.44 -2.65 0.00 0.00 178.83 176.40 1pw1 h ASP 139 N 0.48 0.34 -0.43 -0.69 3.32 -1.80 -0.23 116.42 117.41 1pw1 h ASP 139 Ca 0.11 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 1pw1 h ASP 139 Cb 0.29 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1pw1 h ASP 139 CO 0.01 0.22 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.40 1pw1 h LEU 140 N 0.49 1.00 -0.63 1.55 3.38 -1.13 -1.87 115.31 118.11 1pw1 h LEU 140 Ca 0.27 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1pw1 h LEU 140 Cb 0.25 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1pw1 h LEU 140 CO -0.23 1.21 0.40 0.40 0.09 0.00 0.00 178.44 180.32 1pw1 h ILE 141 N 0.80 1.17 -0.87 1.22 1.08 -1.06 -2.15 117.51 117.70 1pw1 h ILE 141 Ca 0.09 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1pw1 h ILE 141 Cb 0.87 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 1pw1 h ILE 141 CO 0.08 0.17 0.54 0.74 -0.69 0.00 0.00 178.15 178.99 1pw1 h THR 142 N 0.85 1.23 -0.79 -0.27 2.02 -0.85 -0.73 112.91 114.37 1pw1 h THR 142 Ca 0.23 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1pw1 h THR 142 Cb -0.07 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.29 1pw1 h THR 142 CO -0.05 0.23 0.43 -0.07 0.37 0.00 0.00 175.52 176.44 1pw1 h LEU 143 N 1.18 0.99 -0.36 2.58 3.38 -0.91 -2.44 115.31 119.74 1pw1 h LEU 143 Ca 0.31 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1pw1 h LEU 143 Cb -0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1pw1 h LEU 143 CO -0.06 0.81 0.22 -1.28 0.09 0.00 0.00 178.44 178.22 1pw1 h SER 144 N 1.10 0.43 0.47 -0.43 0.87 -0.71 -3.06 113.55 112.22 1pw1 h SER 144 Ca 0.28 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1pw1 h SER 144 Cb 0.04 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1pw1 h SER 144 CO -0.04 0.36 0.00 0.18 -0.53 0.00 0.00 176.83 176.79 1pw1 n LEU 145 N -4.80 0.00 0.33 2.23 4.77 -0.36 -1.50 117.00 117.67 1pw1 n LEU 145 Ca -0.00 0.35 0.22 0.00 -0.03 0.00 0.00 56.01 56.55 1pw1 n LEU 145 Cb 0.05 -0.35 1.16 0.00 -2.33 0.00 0.00 43.42 41.95 1pw1 n LEU 145 CO 0.35 -0.12 1.17 0.11 -1.33 0.00 0.00 177.39 177.57 1pw1 h LYS 146 N 0.00 0.00 -6.36 3.23 1.57 -1.35 -3.42 116.57 110.23 1pw1 h LYS 146 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1pw1 h LYS 146 Cb 0.23 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.41 1pw1 h LYS 146 CO 0.00 0.00 -0.68 -1.01 -0.57 0.00 0.00 179.45 177.19 1pw1 s HIS 147 N -4.18 2.94 0.84 -1.35 3.76 -0.56 -5.12 115.29 111.63 1pw1 s HIS 147 Ca -0.05 -0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.71 1pw1 s HIS 147 Cb 0.13 -1.53 0.10 0.00 1.11 0.00 0.00 32.58 32.38 1pw1 s HIS 147 CO 0.43 0.46 1.10 0.20 -0.85 0.00 0.00 174.74 176.08 1pw1 s GLY 148 N -2.16 1.61 0.75 -2.22 0.00 -1.26 -4.78 107.32 99.26 1pw1 s GLY 148 Ca 0.24 -0.21 -0.14 0.00 0.00 0.00 0.00 44.72 44.60 1pw1 s GLY 148 CO 0.16 0.25 1.20 -1.34 0.00 0.00 0.00 173.10 173.37 1pw1 s VAL 149 N -3.11 2.32 -1.04 1.40 -7.23 -1.26 -4.50 120.40 106.98 1pw1 s VAL 149 Ca 0.62 0.15 0.23 0.00 -1.81 0.00 0.00 61.98 61.17 1pw1 s VAL 149 Cb -0.15 -2.67 -0.08 0.00 0.56 0.00 0.00 36.38 34.03 1pw1 s VAL 149 CO 0.55 -0.09 1.20 0.35 -0.31 0.00 0.00 175.10 176.81 1pw1 n THR 150 N -2.86 0.00 -3.76 5.32 -2.24 0.21 -4.99 114.28 105.97 1pw1 n THR 150 Ca 0.13 -0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.87 1pw1 n THR 150 Cb 0.50 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.30 1pw1 n THR 150 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pw1 s ASN 151 N -2.98 -0.17 0.46 3.42 4.22 -1.26 -5.06 114.94 113.57 1pw1 s ASN 151 Ca 0.10 -0.41 -0.24 0.00 -2.14 0.00 0.00 52.86 50.18 1pw1 s ASN 151 Cb 0.17 0.48 -0.07 0.00 1.28 0.00 0.00 41.25 43.11 1pw1 s ASN 151 CO 0.76 -0.89 1.23 0.00 -2.04 0.00 0.00 177.10 176.16 1pw1 s ALA 152 N -3.23 3.03 0.33 3.54 0.00 -1.26 -4.46 121.76 119.70 1pw1 s ALA 152 Ca 0.13 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 1pw1 s ALA 152 Cb -0.01 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 1pw1 s ALA 152 CO 0.02 -0.80 1.52 -2.30 0.00 0.00 0.00 175.76 174.20 1pw1 n PRO 153 N -0.37 2.61 -0.18 0.00 -0.02 -1.26 -1.59 135.00 134.18 1pw1 n PRO 153 Ca 0.07 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1pw1 n PRO 153 Cb 0.46 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1pw1 n PRO 153 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pw1 n GLY 154 N 1.40 1.91 0.09 -1.23 0.00 0.14 -4.96 105.19 102.54 1pw1 n GLY 154 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1pw1 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pw1 h ALA 155 N 0.00 -0.11 -2.58 4.61 0.00 -1.44 -3.48 119.26 116.26 1pw1 h ALA 155 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1pw1 h ALA 155 Cb 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.65 1pw1 h ALA 155 CO 0.00 -0.31 -0.35 0.00 0.00 0.00 0.00 179.25 178.59 1pw1 s ALA 156 N -4.16 -0.51 -0.00 0.00 0.00 -1.26 -5.06 121.76 110.76 1pw1 s ALA 156 Ca -0.15 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 1pw1 s ALA 156 Cb 0.01 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1pw1 s ALA 156 CO 0.61 -0.33 1.38 -0.47 0.00 0.00 0.00 175.76 176.95 1pw1 s TYR 157 N -2.12 2.90 -0.20 0.00 5.04 -1.26 -4.30 117.35 117.42 1pw1 s TYR 157 Ca -0.08 0.87 -0.04 0.00 -2.44 0.00 0.00 57.07 55.37 1pw1 s TYR 157 Cb -0.03 -3.64 0.09 0.00 0.35 0.00 0.00 41.96 38.73 1pw1 s TYR 157 CO -0.01 -2.32 0.18 0.45 -1.34 0.00 0.00 175.55 172.52 1pw1 s SER 158 N 1.82 1.71 0.31 4.32 0.15 0.05 -5.02 113.70 117.03 1pw1 s SER 158 Ca 0.63 -0.37 -0.30 0.00 0.70 0.00 0.00 55.95 56.61 1pw1 s SER 158 Cb -0.31 0.19 -0.12 0.00 -1.71 0.00 0.00 66.02 64.07 1pw1 s SER 158 CO 0.26 -0.34 1.50 0.00 1.20 0.00 0.00 173.24 175.86 1pw1 n TYR 159 N 5.31 2.69 -3.69 3.44 9.36 -1.26 -4.66 117.16 128.34 1pw1 n TYR 159 Ca -0.06 0.37 -0.10 0.00 3.32 0.00 0.00 57.90 61.43 1pw1 n TYR 159 Cb 0.49 -2.54 -0.11 0.00 -0.63 0.00 0.00 39.34 36.56 1pw1 n TYR 159 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1pw1 s SER 160 N 0.22 -0.42 0.48 2.98 0.15 -1.26 -4.71 113.70 111.14 1pw1 s SER 160 Ca 0.61 0.90 0.19 0.00 0.70 0.00 0.00 55.95 58.35 1pw1 s SER 160 Cb -0.53 0.90 1.20 0.00 -1.71 0.00 0.00 66.02 65.89 1pw1 s SER 160 CO 0.54 -0.20 2.00 0.78 1.20 0.00 0.00 173.24 177.56 1pw1 h ASN 161 N 7.42 0.18 -0.95 5.45 2.35 -1.93 -1.74 115.58 126.37 1pw1 h ASN 161 Ca -0.31 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.64 1pw1 h ASN 161 Cb 1.16 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 39.42 1pw1 h ASN 161 CO 0.25 0.11 0.61 0.74 -1.65 0.00 0.00 177.43 177.48 1pw1 h THR 162 N 0.20 0.71 -0.73 2.81 2.02 -1.90 -0.84 112.91 115.17 1pw1 h THR 162 Ca 0.24 -0.20 0.07 0.00 0.77 0.00 0.00 66.41 67.29 1pw1 h THR 162 Cb 0.67 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 1pw1 h THR 162 CO -0.04 0.11 0.41 0.78 0.37 0.00 0.00 175.52 177.15 1pw1 h ASN 163 N 0.59 0.60 0.10 4.18 2.35 -1.62 -1.34 115.58 120.43 1pw1 h ASN 163 Ca 0.51 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.30 1pw1 h ASN 163 Cb 1.01 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1pw1 h ASN 163 CO -0.25 0.37 -0.23 0.49 -1.65 0.00 0.00 177.43 176.16 1pw1 n PHE 164 N -4.77 0.00 -0.03 1.19 3.01 -0.40 -1.91 117.46 114.55 1pw1 n PHE 164 Ca 0.10 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.44 1pw1 n PHE 164 Cb 0.21 -0.05 -0.07 0.00 -0.01 0.00 0.00 39.48 39.56 1pw1 n PHE 164 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1pw1 h VAL 165 N 2.11 1.25 -0.65 -4.37 2.07 -0.94 -2.48 116.25 113.24 1pw1 h VAL 165 Ca 0.00 -0.80 0.11 0.00 0.82 0.00 0.00 66.70 66.83 1pw1 h VAL 165 Cb 0.62 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 1pw1 h VAL 165 CO 0.00 0.23 0.22 0.58 0.02 0.00 0.00 177.57 178.62 1pw1 h VAL 166 N -0.09 0.71 -0.66 2.57 2.07 -1.16 -1.48 116.25 118.21 1pw1 h VAL 166 Ca 0.03 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1pw1 h VAL 166 Cb 0.35 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1pw1 h VAL 166 CO 0.01 0.07 0.37 0.00 0.02 0.00 0.00 177.57 178.03 1pw1 h ALA 167 N 1.46 0.88 -0.61 1.67 0.00 -1.32 0.25 119.26 121.59 1pw1 h ALA 167 Ca 0.34 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1pw1 h ALA 167 Cb 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1pw1 h ALA 167 CO -0.35 0.05 0.26 0.78 0.00 0.00 0.00 179.25 179.98 1pw1 h GLY 168 N 0.68 0.96 1.19 0.00 0.00 -0.90 -1.26 103.07 103.74 1pw1 h GLY 168 Ca 0.29 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1pw1 h GLY 168 CO -0.18 0.48 0.43 1.98 0.00 0.00 0.00 176.54 179.26 1pw1 h MET 169 N 0.84 1.06 -0.45 4.80 -1.53 -0.71 -1.06 114.93 117.88 1pw1 h MET 169 Ca 0.20 -0.11 -0.06 0.00 -3.44 0.00 0.00 59.70 56.29 1pw1 h MET 169 Cb 0.18 -0.21 -0.02 0.00 -0.55 0.00 0.00 31.60 31.00 1pw1 h MET 169 CO -0.02 0.77 0.05 -0.07 0.14 0.00 0.00 176.91 177.78 1pw1 h LEU 170 N 1.07 0.75 -0.11 3.39 3.38 -0.63 -0.76 115.31 122.39 1pw1 h LEU 170 Ca 0.27 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pw1 h LEU 170 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1pw1 h LEU 170 CO -0.05 0.84 0.05 0.40 0.09 0.00 0.00 178.44 179.77 1pw1 h ILE 171 N 0.63 0.99 -0.50 1.22 2.04 -0.80 -0.63 117.51 120.46 1pw1 h ILE 171 Ca 0.13 -0.04 -0.12 0.00 1.00 0.00 0.00 64.86 65.84 1pw1 h ILE 171 Cb 0.43 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1pw1 h ILE 171 CO 0.01 0.02 -0.15 -0.33 0.00 0.00 0.00 178.15 177.70 1pw1 h GLU 172 N 0.11 0.99 -0.14 2.37 5.08 -1.09 -2.15 114.58 119.75 1pw1 h GLU 172 Ca 0.04 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1pw1 h GLU 172 Cb 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1pw1 h GLU 172 CO -0.04 1.07 0.02 -0.22 -1.00 0.00 0.00 179.01 178.85 1pw1 h LYS 173 N 0.85 0.23 0.00 2.33 1.63 -1.00 -0.88 116.57 119.74 1pw1 h LYS 173 Ca 0.12 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.76 1pw1 h LYS 173 Cb 0.73 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1pw1 h LYS 173 CO 0.06 0.41 -0.47 -0.07 -3.45 0.00 0.00 179.45 175.93 1pw1 h LEU 174 N 0.01 0.00 0.00 5.20 3.38 -1.04 -3.27 115.31 119.59 1pw1 h LEU 174 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1pw1 h LEU 174 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1pw1 h LEU 174 CO 0.00 0.47 -1.97 0.35 0.09 0.00 0.00 178.44 177.38 1pw1 n THR 175 N -3.38 0.04 -1.09 0.22 -2.24 -0.82 -4.97 114.28 102.03 1pw1 n THR 175 Ca 0.01 -0.49 -0.03 0.00 -2.27 0.00 0.00 64.05 61.27 1pw1 n THR 175 Cb 0.63 0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 1pw1 n THR 175 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pw1 n GLY 176 N 1.32 0.56 3.41 3.38 0.00 -0.34 -5.00 105.19 108.52 1pw1 n GLY 176 Ca -0.05 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1pw1 n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pw1 s HIS 177 N -1.84 1.90 0.66 1.61 3.76 -1.24 -5.06 115.29 115.09 1pw1 s HIS 177 Ca 0.00 -0.65 -0.13 0.00 -0.15 0.00 0.00 55.06 54.13 1pw1 s HIS 177 Cb 0.00 -1.01 -0.00 0.00 1.11 0.00 0.00 32.58 32.67 1pw1 s HIS 177 CO 0.00 0.32 1.07 -1.54 -0.85 0.00 0.00 174.74 173.75 1pw1 s SER 178 N -3.41 5.31 0.36 1.40 1.04 -1.26 -4.21 113.70 112.94 1pw1 s SER 178 Ca 0.27 1.80 0.04 0.00 0.48 0.00 0.00 55.95 58.55 1pw1 s SER 178 Cb 0.02 -2.52 0.69 0.00 0.10 0.00 0.00 66.02 64.31 1pw1 s SER 178 CO 0.11 -1.49 1.97 -0.37 0.98 0.00 0.00 173.24 174.44 1pw1 h VAL 179 N -0.22 1.16 -0.51 5.02 -1.51 -1.94 -2.10 116.25 116.15 1pw1 h VAL 179 Ca -0.45 -0.46 0.02 0.00 -1.23 0.00 0.00 66.70 64.57 1pw1 h VAL 179 Cb 1.22 0.61 -0.03 0.00 -2.13 0.00 0.00 31.29 30.97 1pw1 h VAL 179 CO 0.55 0.19 0.32 0.00 -1.23 0.00 0.00 177.57 177.40 1pw1 h ALA 180 N 1.60 0.65 -0.64 5.19 0.00 -1.92 0.73 119.26 124.87 1pw1 h ALA 180 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1pw1 h ALA 180 Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1pw1 h ALA 180 CO -0.02 0.04 0.36 1.15 0.00 0.00 0.00 179.25 180.78 1pw1 h THR 181 N 0.64 1.20 -0.36 0.00 2.02 -1.81 -0.73 112.91 113.88 1pw1 h THR 181 Ca 0.20 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 1pw1 h THR 181 Cb -0.02 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1pw1 h THR 181 CO -0.07 0.21 -0.07 -0.33 0.37 0.00 0.00 175.52 175.63 1pw1 h GLU 182 N 0.87 0.68 -0.48 6.66 4.39 -0.95 -0.42 114.58 125.34 1pw1 h GLU 182 Ca 0.23 -0.25 0.03 0.00 0.34 0.00 0.00 59.36 59.70 1pw1 h GLU 182 Cb 0.02 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1pw1 h GLU 182 CO -0.04 0.83 0.27 1.88 -1.16 0.00 0.00 179.01 180.79 1pw1 h TYR 183 N 0.47 0.51 -0.16 4.33 0.05 -0.78 -0.47 116.97 120.92 1pw1 h TYR 183 Ca 0.09 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 1pw1 h TYR 183 Cb 0.57 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 1pw1 h TYR 183 CO 0.05 0.29 0.08 0.37 -1.05 0.00 0.00 178.16 177.89 1pw1 h GLN 184 N 0.55 0.23 -0.01 4.88 5.75 -0.84 -0.16 115.11 125.50 1pw1 h GLN 184 Ca 0.19 -0.03 -0.20 0.00 -0.15 0.00 0.00 58.65 58.46 1pw1 h GLN 184 Cb 0.04 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1pw1 h GLN 184 CO -0.10 0.26 -0.87 -0.91 -2.65 0.00 0.00 178.83 174.56 1pw1 h ASN 185 N 0.14 0.35 0.43 -0.69 -0.26 -0.96 -0.07 115.58 114.52 1pw1 h ASN 185 Ca 0.06 -0.28 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 1pw1 h ASN 185 Cb 0.10 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1pw1 h ASN 185 CO -0.01 1.06 -1.48 0.54 -1.06 0.00 0.00 177.43 176.49 1pw1 n ARG 186 N -3.71 0.58 0.12 0.81 1.74 -0.20 -4.51 116.66 111.50 1pw1 n ARG 186 Ca -0.04 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1pw1 n ARG 186 Cb 0.80 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1pw1 n ARG 186 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1pw1 n ILE 187 N -2.37 0.36 -0.04 0.55 5.41 -0.48 -4.78 119.36 118.00 1pw1 n ILE 187 Ca -0.02 0.12 -0.11 0.00 1.00 0.00 0.00 62.75 63.74 1pw1 n ILE 187 Cb 0.54 -0.81 -0.06 0.00 -0.71 0.00 0.00 39.64 38.60 1pw1 n ILE 187 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1pw1 h PHE 188 N 0.00 0.26 0.13 1.39 0.04 -1.02 -2.22 116.94 115.52 1pw1 h PHE 188 Ca 0.00 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1pw1 h PHE 188 Cb 0.00 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1pw1 h PHE 188 CO 0.00 0.39 -0.06 1.15 -0.60 0.00 0.00 178.31 179.19 1pw1 h THR 189 N 0.05 1.04 -0.53 -1.55 2.02 -1.24 -0.05 112.91 112.65 1pw1 h THR 189 Ca 0.05 -0.86 0.06 0.00 0.77 0.00 0.00 66.41 66.42 1pw1 h THR 189 Cb 0.26 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1pw1 h THR 189 CO 0.00 0.20 0.36 -0.65 0.37 0.00 0.00 175.52 175.80 1pw1 h PRO 190 N -0.60 0.47 -0.17 6.66 0.11 -1.76 -1.11 132.00 135.60 1pw1 h PRO 190 Ca -0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1pw1 h PRO 190 Cb 0.46 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1pw1 h PRO 190 CO 0.03 0.31 0.00 1.28 -0.21 0.00 0.00 178.00 179.41 1pw1 n LEU 191 N -4.47 2.37 -3.71 2.35 4.77 -0.84 -4.97 117.00 112.50 1pw1 n LEU 191 Ca 0.07 -0.93 -0.22 0.00 -0.03 0.00 0.00 56.01 54.91 1pw1 n LEU 191 Cb 0.25 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1pw1 n LEU 191 CO 0.34 0.46 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.65 1pw1 n ASN 192 N 0.81 -1.92 -4.49 -1.43 4.05 -0.42 -4.89 115.26 106.97 1pw1 n ASN 192 Ca 0.17 -0.79 -0.43 0.00 0.45 0.00 0.00 54.58 53.98 1pw1 n ASN 192 Cb 0.46 -4.15 0.00 0.00 1.23 0.00 0.00 39.78 37.32 1pw1 n ASN 192 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1pw1 n LEU 193 N -4.34 5.16 0.07 1.20 4.77 -0.13 -4.81 117.00 118.92 1pw1 n LEU 193 Ca -0.24 -4.15 0.10 0.00 -0.03 0.00 0.00 56.01 51.69 1pw1 n LEU 193 Cb 0.65 -1.69 0.42 0.00 -2.33 0.00 0.00 43.42 40.47 1pw1 n LEU 193 CO 0.69 0.43 0.81 0.35 -1.33 0.00 0.00 177.39 178.34 1pw1 n THR 194 N 5.60 0.84 -0.02 -5.08 -2.24 -1.26 -2.01 114.28 110.11 1pw1 n THR 194 Ca 0.44 0.20 0.10 0.00 -2.27 0.00 0.00 64.05 62.52 1pw1 n THR 194 Cb 0.44 -1.03 0.22 0.00 -2.10 0.00 0.00 70.33 67.86 1pw1 n THR 194 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1pw1 n ASP 195 N -1.91 3.33 -4.46 3.42 8.00 -1.26 -4.99 116.55 118.68 1pw1 n ASP 195 Ca 0.03 -1.95 -0.33 0.00 0.71 0.00 0.00 54.79 53.25 1pw1 n ASP 195 Cb 0.22 -0.30 -0.13 0.00 -0.02 0.00 0.00 41.12 40.90 1pw1 n ASP 195 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pw1 s THR 196 N -1.15 3.42 0.03 -3.53 2.01 -0.85 -3.97 115.64 111.60 1pw1 s THR 196 Ca 0.35 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 1pw1 s THR 196 Cb 0.19 -2.44 -0.00 0.00 0.01 0.00 0.00 72.50 70.26 1pw1 s THR 196 CO 0.26 0.54 0.14 -0.36 -0.69 0.00 0.00 174.62 174.51 1pw1 s PHE 197 N -0.00 0.12 -0.27 4.92 0.40 -0.12 -5.00 117.98 118.04 1pw1 s PHE 197 Ca -0.02 -0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1pw1 s PHE 197 Cb -0.14 -0.09 0.09 0.00 0.51 0.00 0.00 43.02 43.39 1pw1 s PHE 197 CO 0.03 -0.38 0.09 -0.47 0.70 0.00 0.00 175.22 175.19 1pw1 s TYR 198 N -2.43 1.13 -0.70 0.36 6.14 -1.26 -0.88 117.35 119.72 1pw1 s TYR 198 Ca -0.06 -1.24 0.06 0.00 0.64 0.00 0.00 57.07 56.47 1pw1 s TYR 198 Cb -0.02 -1.29 0.07 0.00 0.42 0.00 0.00 41.96 41.14 1pw1 s TYR 198 CO -0.03 -0.78 0.78 1.33 0.64 0.00 0.00 175.55 177.49 1pw1 n VAL 199 N 5.02 0.21 -1.51 3.14 0.24 -1.26 -4.85 118.33 119.30 1pw1 n VAL 199 Ca -0.05 -0.60 -0.50 0.00 -2.04 0.00 0.00 64.34 61.14 1pw1 n VAL 199 Cb 0.44 0.99 -0.04 0.00 -1.47 0.00 0.00 33.84 33.76 1pw1 n VAL 199 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1pw1 n HIS 200 N 0.28 0.67 -0.35 6.34 -0.00 -1.26 -0.80 115.22 120.10 1pw1 n HIS 200 Ca 0.04 0.84 0.04 0.00 -0.00 0.00 0.00 57.72 58.64 1pw1 n HIS 200 Cb 0.19 -2.15 0.28 0.00 -0.00 0.00 0.00 29.99 28.31 1pw1 n HIS 200 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1pw1 n PRO 201 N 1.38 3.73 -1.80 1.57 -0.04 -1.26 -5.10 135.00 133.48 1pw1 n PRO 201 Ca 0.16 -2.23 -0.39 0.00 -0.04 0.00 0.00 63.50 61.00 1pw1 n PRO 201 Cb 0.22 -2.04 0.03 0.00 -0.04 0.00 0.00 33.50 31.67 1pw1 n PRO 201 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pw1 s ASP 202 N -0.55 5.56 -0.00 3.54 -1.08 0.02 -4.50 116.67 119.67 1pw1 s ASP 202 Ca 0.39 2.82 0.21 0.00 -0.52 0.00 0.00 52.55 55.45 1pw1 s ASP 202 Cb 0.30 -2.64 -0.17 0.00 -1.46 0.00 0.00 42.92 38.94 1pw1 s ASP 202 CO 0.11 -1.38 0.93 0.35 0.52 0.00 0.00 175.17 175.71 1pw1 n THR 203 N -0.64 0.00 -2.85 1.71 -2.24 -1.26 -4.64 114.28 104.37 1pw1 n THR 203 Ca 0.08 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.45 1pw1 n THR 203 Cb 0.44 0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 1pw1 n THR 203 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1pw1 s VAL 204 N -3.01 4.34 -0.32 2.28 1.01 -1.26 -3.71 120.40 119.72 1pw1 s VAL 204 Ca 0.08 1.91 -0.16 0.00 0.00 0.00 0.00 61.98 63.81 1pw1 s VAL 204 Cb 0.16 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1pw1 s VAL 204 CO 0.86 0.45 0.43 -0.63 0.00 0.00 0.00 175.10 176.20 1pw1 s ILE 205 N -0.76 5.11 0.32 2.22 1.01 -1.26 -5.03 121.20 122.82 1pw1 s ILE 205 Ca 0.40 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 1pw1 s ILE 205 Cb -0.24 -3.84 -0.11 0.00 0.01 0.00 0.00 42.46 38.28 1pw1 s ILE 205 CO 0.29 -0.07 1.45 -2.84 0.00 0.00 0.00 174.94 173.76 1pw1 s PRO 206 N 2.18 4.21 0.69 2.79 0.02 -1.26 -4.81 135.00 138.82 1pw1 s PRO 206 Ca 0.15 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1pw1 s PRO 206 Cb -0.16 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1pw1 s PRO 206 CO 0.12 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 1pw1 n GLY 207 N 1.21 -1.99 3.71 0.52 0.00 -1.26 -4.80 105.19 102.58 1pw1 n GLY 207 Ca 0.03 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1pw1 n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pw1 s THR 208 N -0.62 3.08 0.06 2.61 2.01 -1.26 -4.94 115.64 116.58 1pw1 s THR 208 Ca 0.00 0.76 -0.05 0.00 0.31 0.00 0.00 61.69 62.71 1pw1 s THR 208 Cb 0.00 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 1pw1 s THR 208 CO 0.00 0.05 0.08 -1.38 -0.69 0.00 0.00 174.62 172.68 1pw1 s HIS 209 N 1.27 0.30 0.12 4.92 -0.00 -1.26 -1.84 115.29 118.79 1pw1 s HIS 209 Ca 0.67 -0.73 -0.30 0.00 -0.00 0.00 0.00 55.06 54.69 1pw1 s HIS 209 Cb -0.39 -0.21 -0.06 0.00 -0.00 0.00 0.00 32.58 31.92 1pw1 s HIS 209 CO 0.30 -0.42 1.11 0.00 -0.00 0.00 0.00 174.74 175.73 1pw1 s ALA 210 N -3.45 3.34 0.58 -1.38 0.00 -0.31 -4.83 121.76 115.72 1pw1 s ALA 210 Ca 0.02 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 52.60 1pw1 s ALA 210 Cb 0.04 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1pw1 s ALA 210 CO -0.08 -0.27 1.05 -0.80 0.00 0.00 0.00 175.76 175.66 1pw1 s ASN 211 N 0.38 5.90 -0.06 0.00 -0.87 0.06 -4.81 114.94 115.54 1pw1 s ASN 211 Ca 0.52 1.79 -0.03 0.00 -1.57 0.00 0.00 52.86 53.58 1pw1 s ASN 211 Cb -0.28 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.38 1pw1 s ASN 211 CO 0.32 -1.08 0.07 -0.83 -2.57 0.00 0.00 177.10 173.01 1pw1 s GLY 212 N -2.78 2.01 -0.21 0.66 0.00 -1.26 -4.81 107.32 100.92 1pw1 s GLY 212 Ca 0.63 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1pw1 s GLY 212 CO 0.35 -0.59 -0.05 -0.19 0.00 0.00 0.00 173.10 172.62 1pw1 s TYR 213 N -1.06 2.13 -0.10 1.90 2.02 -0.82 -0.58 117.35 120.84 1pw1 s TYR 213 Ca 0.18 -1.51 -0.27 0.00 -0.37 0.00 0.00 57.07 55.09 1pw1 s TYR 213 Cb -0.12 -1.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1pw1 s TYR 213 CO 0.08 -0.72 0.91 -1.17 -1.57 0.00 0.00 175.55 173.07 1pw1 s LEU 214 N 1.49 4.25 -0.02 -1.29 2.96 0.47 -2.84 118.68 123.71 1pw1 s LEU 214 Ca -0.03 1.39 -0.30 0.00 -0.22 0.00 0.00 54.13 54.97 1pw1 s LEU 214 Cb -0.18 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1pw1 s LEU 214 CO -0.07 -0.36 1.06 -0.89 -1.32 0.00 0.00 176.35 174.78 1pw1 s THR 215 N 1.74 4.59 0.76 3.68 2.01 -0.90 -1.88 115.64 125.63 1pw1 s THR 215 Ca 0.44 1.86 -0.11 0.00 0.31 0.00 0.00 61.69 64.19 1pw1 s THR 215 Cb -0.18 -4.19 0.05 0.00 0.01 0.00 0.00 72.50 68.18 1pw1 s THR 215 CO 0.18 0.09 1.08 -2.16 -0.69 0.00 0.00 174.62 173.12 1pw1 s PRO 216 N 1.41 2.38 0.52 4.92 0.04 -1.26 -4.72 135.00 138.28 1pw1 s PRO 216 Ca 0.53 0.88 0.30 0.00 0.04 0.00 0.00 61.00 62.76 1pw1 s PRO 216 Cb -0.23 -1.93 1.38 0.00 0.04 0.00 0.00 34.50 33.76 1pw1 s PRO 216 CO 0.25 -1.48 2.01 -0.44 0.04 0.00 0.00 177.00 177.38 1pw1 h ASP 217 N -0.99 0.00 -3.17 6.66 3.32 -1.96 -3.42 116.42 116.85 1pw1 h ASP 217 Ca -0.45 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.03 1pw1 h ASP 217 Cb 1.24 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 1pw1 h ASP 217 CO 0.56 0.10 0.67 -1.61 -1.72 0.00 0.00 179.24 177.25 1pw1 s GLU 218 N -3.89 4.33 0.24 3.56 8.01 -1.26 -4.98 118.70 124.71 1pw1 s GLU 218 Ca -0.01 1.34 -0.31 0.00 0.01 0.00 0.00 54.97 56.00 1pw1 s GLU 218 Cb 0.11 -3.59 -0.13 0.00 -4.31 0.00 0.00 34.13 26.21 1pw1 s GLU 218 CO 0.57 -0.48 1.49 0.00 0.01 0.00 0.00 175.26 176.85 1pw1 n ALA 219 N 5.69 1.52 -0.94 5.21 0.00 -1.26 -1.37 120.51 129.36 1pw1 n ALA 219 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1pw1 n ALA 219 Cb 0.47 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1pw1 n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pw1 n GLY 220 N 2.45 0.69 3.77 0.00 0.00 -1.26 -5.02 105.19 105.82 1pw1 n GLY 220 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1pw1 n GLY 220 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pw1 s GLY 221 N -2.00 2.14 0.39 -0.02 0.00 -0.47 -4.96 107.32 102.39 1pw1 s GLY 221 Ca 0.00 0.55 -0.27 0.00 0.00 0.00 0.00 44.72 44.99 1pw1 s GLY 221 CO 0.00 0.90 1.44 0.00 0.00 0.00 0.00 173.10 175.44 1pw1 s ALA 222 N -2.35 3.47 0.48 3.20 0.00 -1.26 -4.67 121.76 120.63 1pw1 s ALA 222 Ca 0.67 1.49 -0.21 0.00 0.00 0.00 0.00 51.96 53.91 1pw1 s ALA 222 Cb -0.21 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.25 1pw1 s ALA 222 CO 0.43 -1.02 1.09 -0.51 0.00 0.00 0.00 175.76 175.74 1pw1 s LEU 223 N -2.23 3.91 -0.17 0.00 1.43 -1.26 -4.50 118.68 115.86 1pw1 s LEU 223 Ca 0.54 2.08 -0.05 0.00 -1.03 0.00 0.00 54.13 55.68 1pw1 s LEU 223 Cb -0.44 -4.44 -0.03 0.00 0.03 0.00 0.00 46.19 41.31 1pw1 s LEU 223 CO 0.59 -0.86 -0.01 -0.69 0.23 0.00 0.00 176.35 175.61 1pw1 s VAL 224 N -1.79 4.11 -0.28 -1.59 1.01 -0.79 -4.94 120.40 116.14 1pw1 s VAL 224 Ca 0.66 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 1pw1 s VAL 224 Cb -0.21 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1pw1 s VAL 224 CO 0.26 0.47 1.64 -0.62 0.00 0.00 0.00 175.10 176.85 1pw1 s ASP 225 N 0.47 6.24 -0.08 3.32 -1.08 -1.26 -0.40 116.67 123.88 1pw1 s ASP 225 Ca -0.02 1.43 0.13 0.00 -0.52 0.00 0.00 52.55 53.57 1pw1 s ASP 225 Cb -0.14 -2.53 0.36 0.00 -1.46 0.00 0.00 42.92 39.15 1pw1 s ASP 225 CO 0.02 -1.40 1.28 -1.54 0.52 0.00 0.00 175.17 174.05 1pw1 n SER 226 N 8.99 3.14 -0.07 -0.34 3.41 0.26 -4.79 113.62 124.22 1pw1 n SER 226 Ca 0.20 -2.52 -0.07 0.00 -0.26 0.00 0.00 58.87 56.22 1pw1 n SER 226 Cb 0.46 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 1pw1 n SER 226 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1pw1 h THR 227 N 1.49 0.62 -3.50 6.66 2.02 -1.84 -3.40 112.91 114.97 1pw1 h THR 227 Ca 0.00 0.00 -0.72 0.00 0.77 0.00 0.00 66.41 66.46 1pw1 h THR 227 Cb 1.02 0.62 -0.24 0.00 -1.74 0.00 0.00 68.15 67.81 1pw1 h THR 227 CO 0.09 0.00 -0.46 -1.61 0.37 0.00 0.00 175.52 173.91 1pw1 s GLU 228 N -6.19 2.85 0.16 6.66 2.02 -1.26 -4.87 118.70 118.08 1pw1 s GLU 228 Ca -0.14 -1.16 -0.14 0.00 0.02 0.00 0.00 54.97 53.55 1pw1 s GLU 228 Cb 0.12 -3.87 0.02 0.00 0.10 0.00 0.00 34.13 30.50 1pw1 s GLU 228 CO 0.69 -0.80 0.41 1.14 0.02 0.00 0.00 175.26 176.72 1pw1 s GLN 229 N 1.58 1.21 0.25 1.61 -2.07 -1.24 -4.95 119.66 116.05 1pw1 s GLN 229 Ca 0.03 -0.93 0.12 0.00 -1.82 0.00 0.00 55.36 52.76 1pw1 s GLN 229 Cb -0.20 0.46 0.23 0.00 -1.09 0.00 0.00 33.01 32.40 1pw1 s GLN 229 CO 0.07 -0.48 1.52 1.79 -1.32 0.00 0.00 175.29 176.87 1pw1 h THR 230 N 2.37 1.32 -3.09 3.63 1.35 -1.30 -3.38 112.91 113.81 1pw1 h THR 230 Ca -0.31 -2.38 -0.33 0.00 -0.55 0.00 0.00 66.41 62.84 1pw1 h THR 230 Cb 1.25 2.34 -0.03 0.00 -1.73 0.00 0.00 68.15 69.97 1pw1 h THR 230 CO 0.44 0.65 -0.40 0.52 -0.25 0.00 0.00 175.52 176.47 1pw1 n VAL 231 N -3.54 -0.66 0.29 6.82 0.31 -1.26 -4.73 118.33 115.56 1pw1 n VAL 231 Ca -0.00 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.49 1pw1 n VAL 231 Cb 0.70 -2.22 0.57 0.00 -0.91 0.00 0.00 33.84 31.98 1pw1 n VAL 231 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1pw1 h SER 232 N 0.00 0.00 0.55 4.52 0.87 -1.88 -1.33 113.55 116.28 1pw1 h SER 232 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1pw1 h SER 232 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1pw1 h SER 232 CO 0.47 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 174.10 1pw1 n TRP 233 N -2.99 0.23 0.00 2.24 4.27 -1.26 -4.14 117.44 115.78 1pw1 n TRP 233 Ca 0.01 0.09 0.00 0.00 -3.89 0.00 0.00 57.50 53.71 1pw1 n TRP 233 Cb 0.34 -0.64 0.00 0.00 -1.36 0.00 0.00 31.31 29.65 1pw1 n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1pw1 n ALA 234 N -1.58 2.75 -0.58 -1.67 0.00 -0.64 -5.01 120.51 113.78 1pw1 n ALA 234 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1pw1 n ALA 234 Cb 0.18 0.50 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1pw1 n ALA 234 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pw1 n GLN 235 N -2.87 0.00 0.00 0.00 6.02 -0.60 -0.79 117.38 119.14 1pw1 n GLN 235 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1pw1 n GLN 235 Cb 0.50 0.00 0.26 0.00 1.02 0.00 0.00 30.24 32.02 1pw1 n GLN 235 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1pw1 n SER 236 N 6.46 0.00 0.03 1.08 3.41 -1.26 -0.74 113.62 122.59 1pw1 n SER 236 Ca 0.00 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 1pw1 n SER 236 Cb 0.00 -0.27 0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1pw1 n SER 236 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pw1 n ALA 237 N -1.27 3.43 -1.14 7.33 0.00 0.03 -4.28 120.51 124.60 1pw1 n ALA 237 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1pw1 n ALA 237 Cb 0.08 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1pw1 n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pw1 n GLY 238 N 1.38 0.57 1.07 0.00 0.00 -0.21 -3.96 105.19 104.04 1pw1 n GLY 238 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1pw1 n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pw1 n ALA 239 N 0.00 2.43 -1.77 4.61 0.00 0.08 -3.44 120.51 122.42 1pw1 n ALA 239 Ca 0.00 -0.96 -0.38 0.00 0.00 0.00 0.00 53.44 52.10 1pw1 n ALA 239 Cb 0.24 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 1pw1 n ALA 239 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pw1 s VAL 240 N -1.44 3.01 -0.11 0.00 1.01 -1.26 -4.69 120.40 116.92 1pw1 s VAL 240 Ca 0.39 0.82 -0.03 0.00 0.00 0.00 0.00 61.98 63.16 1pw1 s VAL 240 Cb 0.22 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1pw1 s VAL 240 CO 0.30 0.05 0.00 -0.63 0.00 0.00 0.00 175.10 174.82 1pw1 s ILE 241 N -1.43 4.30 0.00 2.22 1.01 -0.06 -1.80 121.20 125.44 1pw1 s ILE 241 Ca 0.60 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1pw1 s ILE 241 Cb -0.31 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1pw1 s ILE 241 CO 0.39 0.57 0.00 -0.24 0.00 0.00 0.00 174.94 175.66 1pw1 n SER 242 N 2.55 0.00 -4.20 3.58 2.88 -0.47 -0.94 113.62 117.02 1pw1 n SER 242 Ca -0.18 -0.33 -0.12 0.00 -1.33 0.00 0.00 58.87 56.90 1pw1 n SER 242 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1pw1 n SER 242 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1pw1 s SER 243 N 0.82 0.66 0.23 -3.46 1.04 -1.26 -1.30 113.70 110.44 1pw1 s SER 243 Ca 0.00 -1.24 -0.07 0.00 0.48 0.00 0.00 55.95 55.12 1pw1 s SER 243 Cb 0.00 0.24 0.20 0.00 0.10 0.00 0.00 66.02 66.55 1pw1 s SER 243 CO 0.00 -0.70 1.81 0.71 0.98 0.00 0.00 173.24 176.04 1pw1 h THR 244 N 2.72 1.26 -0.55 2.02 1.35 -1.84 -0.81 112.91 117.07 1pw1 h THR 244 Ca -0.36 -0.77 -0.05 0.00 -0.55 0.00 0.00 66.41 64.68 1pw1 h THR 244 Cb 1.21 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 1pw1 h THR 244 CO 0.60 0.32 0.16 -0.61 -0.25 0.00 0.00 175.52 175.74 1pw1 h GLN 245 N 1.17 0.86 -0.15 4.72 4.15 -1.95 -2.03 115.11 121.88 1pw1 h GLN 245 Ca 0.28 -0.19 -0.18 0.00 0.77 0.00 0.00 58.65 59.32 1pw1 h GLN 245 Cb 0.16 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1pw1 h GLN 245 CO -0.03 0.79 -0.64 -0.44 -1.93 0.00 0.00 178.83 176.58 1pw1 h ASP 246 N 0.76 0.64 0.20 -0.69 5.19 -1.88 -0.98 116.42 119.67 1pw1 h ASP 246 Ca 0.17 -0.38 -0.12 0.00 -0.62 0.00 0.00 57.03 56.09 1pw1 h ASP 246 Cb 0.30 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1pw1 h ASP 246 CO -0.00 1.12 -0.46 -0.07 -3.12 0.00 0.00 179.24 176.71 1pw1 h LEU 247 N 0.41 0.33 -0.36 1.55 3.38 -1.11 0.01 115.31 119.52 1pw1 h LEU 247 Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1pw1 h LEU 247 Cb 1.21 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1pw1 h LEU 247 CO 0.12 0.74 0.23 0.44 0.09 0.00 0.00 178.44 180.06 1pw1 h ASP 248 N 0.25 0.42 -0.50 -0.43 3.32 -1.21 -1.13 116.42 117.15 1pw1 h ASP 248 Ca 0.02 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1pw1 h ASP 248 Cb 0.90 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1pw1 h ASP 248 CO 0.07 0.32 0.28 0.74 -1.72 0.00 0.00 179.24 178.93 1pw1 h THR 249 N 0.47 1.17 0.19 0.35 2.02 -0.77 -1.59 112.91 114.75 1pw1 h THR 249 Ca 0.13 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1pw1 h THR 249 Cb -0.03 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1pw1 h THR 249 CO -0.03 0.18 -0.09 0.15 0.37 0.00 0.00 175.52 176.10 1pw1 h PHE 250 N 0.66 -0.24 0.00 3.16 3.57 -0.78 -0.80 116.94 122.51 1pw1 h PHE 250 Ca 0.18 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 1pw1 h PHE 250 Cb 0.04 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1pw1 h PHE 250 CO -0.02 -0.03 -0.53 0.74 -2.23 0.00 0.00 178.31 176.24 1pw1 h PHE 251 N -0.41 0.00 -0.62 0.41 0.04 -1.20 -0.24 116.94 114.93 1pw1 h PHE 251 Ca -0.03 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1pw1 h PHE 251 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 1pw1 h PHE 251 CO -0.02 0.53 0.22 1.03 -0.60 0.00 0.00 178.31 179.47 1pw1 h SER 252 N 0.00 0.87 -0.63 2.17 0.87 -1.23 -1.37 113.55 114.24 1pw1 h SER 252 Ca -0.01 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 1pw1 h SER 252 Cb 1.03 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1pw1 h SER 252 CO 0.07 0.83 0.20 0.00 -0.53 0.00 0.00 176.83 177.40 1pw1 h ALA 253 N 1.08 0.82 0.41 6.23 0.00 -0.67 -1.54 119.26 125.59 1pw1 h ALA 253 Ca 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pw1 h ALA 253 Cb 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pw1 h ALA 253 CO -0.01 0.48 -0.20 1.25 0.00 0.00 0.00 179.25 180.77 1pw1 h LEU 254 N 0.90 -0.47 -0.92 0.00 5.85 -0.87 -0.70 115.31 119.10 1pw1 h LEU 254 Ca 0.20 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 1pw1 h LEU 254 Cb 0.28 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1pw1 h LEU 254 CO -0.01 -0.33 -0.45 0.24 -0.34 0.00 0.00 178.44 177.55 1pw1 h MET 255 N -0.55 0.00 -0.03 1.25 2.86 -1.20 -2.35 114.93 114.90 1pw1 h MET 255 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1pw1 h MET 255 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1pw1 h MET 255 CO 0.09 0.45 0.00 -1.13 1.06 0.00 0.00 176.91 177.38 1pw1 n SER 256 N -3.66 0.60 0.00 1.22 3.41 -0.59 -4.52 113.62 110.08 1pw1 n SER 256 Ca -0.01 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1pw1 n SER 256 Cb 0.53 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1pw1 n SER 256 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pw1 n GLY 257 N 1.00 1.04 0.09 5.00 0.00 -0.89 -5.00 105.19 106.44 1pw1 n GLY 257 Ca 0.19 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1pw1 n GLY 257 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pw1 n GLN 258 N -1.76 0.26 -0.02 1.61 6.02 -0.29 -4.44 117.38 118.75 1pw1 n GLN 258 Ca 0.00 -0.18 0.03 0.00 -0.01 0.00 0.00 57.00 56.85 1pw1 n GLN 258 Cb 0.08 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.89 1pw1 n GLN 258 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pw1 n LEU 259 N -1.22 1.73 -3.71 1.08 4.77 -1.26 -5.01 117.00 113.39 1pw1 n LEU 259 Ca 0.07 -1.15 -0.01 0.00 -0.03 0.00 0.00 56.01 54.89 1pw1 n LEU 259 Cb 0.35 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1pw1 n LEU 259 CO 0.35 0.37 0.90 0.00 -1.33 0.00 0.00 177.39 177.68 1pw1 s MET 260 N -0.64 0.80 0.79 3.23 0.23 -1.26 -4.79 119.30 117.66 1pw1 s MET 260 Ca 0.09 -0.45 -0.12 0.00 -1.03 0.00 0.00 55.69 54.17 1pw1 s MET 260 Cb 0.06 0.27 0.07 0.00 -1.53 0.00 0.00 34.83 33.70 1pw1 s MET 260 CO 0.09 -0.37 1.15 -1.54 -2.03 0.00 0.00 175.02 172.33 1pw1 s SER 261 N -3.03 3.91 0.29 -1.18 1.04 -1.26 -4.83 113.70 108.63 1pw1 s SER 261 Ca 0.15 2.16 0.01 0.00 0.48 0.00 0.00 55.95 58.74 1pw1 s SER 261 Cb 0.02 -2.56 0.52 0.00 0.10 0.00 0.00 66.02 64.09 1pw1 s SER 261 CO -0.00 -2.44 1.86 0.00 0.98 0.00 0.00 173.24 173.63 1pw1 h ALA 262 N -0.96 1.50 -0.51 5.32 0.00 -1.99 -1.01 119.26 121.61 1pw1 h ALA 262 Ca -0.45 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1pw1 h ALA 262 Cb 1.27 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1pw1 h ALA 262 CO 0.48 0.29 0.32 0.00 0.00 0.00 0.00 179.25 180.33 1pw1 h ALA 263 N 1.51 0.65 -0.02 0.00 0.00 -2.00 -1.11 119.26 118.30 1pw1 h ALA 263 Ca 0.46 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.17 1pw1 h ALA 263 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1pw1 h ALA 263 CO -0.22 0.03 -0.78 1.96 0.00 0.00 0.00 179.25 180.25 1pw1 h GLN 264 N 0.63 0.22 -0.73 0.00 7.50 -1.76 -2.30 115.11 118.66 1pw1 h GLN 264 Ca 0.20 -0.20 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 1pw1 h GLN 264 Cb -0.01 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.54 1pw1 h GLN 264 CO -0.08 0.89 0.36 1.25 -1.50 0.00 0.00 178.83 179.76 1pw1 h LEU 265 N 0.14 0.94 -0.79 1.46 5.85 -0.96 -0.78 115.31 121.17 1pw1 h LEU 265 Ca -0.03 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1pw1 h LEU 265 Cb 1.37 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1pw1 h LEU 265 CO 0.12 0.79 0.29 0.00 -0.34 0.00 0.00 178.44 179.30 1pw1 h ALA 266 N 1.36 1.03 -0.79 1.25 0.00 -0.95 -1.90 119.26 119.26 1pw1 h ALA 266 Ca 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1pw1 h ALA 266 Cb 0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1pw1 h ALA 266 CO -0.03 0.67 0.36 1.96 0.00 0.00 0.00 179.25 182.21 1pw1 h GLN 267 N 1.16 1.15 0.00 0.00 1.08 -0.97 -2.41 115.11 115.11 1pw1 h GLN 267 Ca 0.26 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1pw1 h GLN 267 Cb 0.25 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1pw1 h GLN 267 CO -0.02 0.90 -0.09 1.98 -0.95 0.00 0.00 178.83 180.65 1pw1 h MET 268 N 1.12 0.00 -0.53 1.46 4.05 -0.40 -2.50 114.93 118.14 1pw1 h MET 268 Ca 0.27 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.58 1pw1 h MET 268 Cb 0.15 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.88 1pw1 h MET 268 CO -0.03 0.09 0.10 1.04 0.23 0.00 0.00 176.91 178.34 1pw1 n GLN 269 N -3.78 3.55 -2.74 0.39 6.02 -0.85 -1.20 117.38 118.77 1pw1 n GLN 269 Ca -0.02 -3.05 -0.43 0.00 -0.01 0.00 0.00 57.00 53.49 1pw1 n GLN 269 Cb 0.20 -2.08 -0.03 0.00 1.02 0.00 0.00 30.24 29.34 1pw1 n GLN 269 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1pw1 s GLN 270 N -2.93 3.59 -0.03 -1.09 -0.21 -0.94 -4.97 119.66 113.08 1pw1 s GLN 270 Ca 0.50 0.30 -0.26 0.00 0.02 0.00 0.00 55.36 55.92 1pw1 s GLN 270 Cb 0.40 -3.92 -0.04 0.00 1.00 0.00 0.00 33.01 30.45 1pw1 s GLN 270 CO 0.11 -1.29 0.80 -1.58 -2.12 0.00 0.00 175.29 171.21 1pw1 s TRP 271 N 4.03 3.62 -0.13 0.91 0.52 -1.26 -4.28 118.94 122.35 1pw1 s TRP 271 Ca 0.41 1.42 -0.15 0.00 0.02 0.00 0.00 56.10 57.80 1pw1 s TRP 271 Cb -0.09 -2.91 -0.05 0.00 -1.15 0.00 0.00 33.47 29.27 1pw1 s TRP 271 CO 0.28 0.07 0.36 0.99 0.02 0.00 0.00 176.95 178.67 1pw1 s THR 272 N 0.80 5.25 0.16 2.01 2.01 0.12 -4.87 115.64 121.12 1pw1 s THR 272 Ca 0.43 0.69 -0.31 0.00 0.31 0.00 0.00 61.69 62.80 1pw1 s THR 272 Cb -0.19 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 68.53 1pw1 s THR 272 CO 0.22 0.39 1.60 -0.89 -0.69 0.00 0.00 174.62 175.25 1pw1 s THR 273 N 0.33 2.61 -0.26 -0.82 2.01 -1.26 -0.76 115.64 117.49 1pw1 s THR 273 Ca 0.20 0.40 -0.16 0.00 0.31 0.00 0.00 61.69 62.44 1pw1 s THR 273 Cb -0.14 -3.25 -0.13 0.00 0.01 0.00 0.00 72.50 68.99 1pw1 s THR 273 CO 0.07 0.03 -0.26 0.52 -0.69 0.00 0.00 174.62 174.29 1pw1 n VAL 274 N 4.09 1.53 -3.35 3.82 0.31 -0.32 -4.59 118.33 119.81 1pw1 n VAL 274 Ca 0.14 -0.27 -0.04 0.00 -0.01 0.00 0.00 64.34 64.17 1pw1 n VAL 274 Cb 0.38 -1.96 0.01 0.00 -0.91 0.00 0.00 33.84 31.37 1pw1 n VAL 274 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1pw1 n ASN 275 N -4.31 -0.82 0.04 4.52 0.23 -1.01 -4.98 115.26 108.93 1pw1 n ASN 275 Ca -0.47 -1.61 0.08 0.00 -0.53 0.00 0.00 54.58 52.06 1pw1 n ASN 275 Cb 0.81 1.38 0.36 0.00 -2.08 0.00 0.00 39.78 40.25 1pw1 n ASN 275 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1pw1 n SER 276 N -1.28 0.18 -0.15 0.53 3.41 -1.26 -2.35 113.62 112.69 1pw1 n SER 276 Ca -0.03 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.19 1pw1 n SER 276 Cb 0.22 -0.58 0.09 0.00 -0.26 0.00 0.00 64.21 63.68 1pw1 n SER 276 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1pw1 n THR 277 N -1.70 1.32 -3.77 6.66 -2.24 -1.26 -5.03 114.28 108.26 1pw1 n THR 277 Ca 0.03 -1.56 -0.13 0.00 -2.27 0.00 0.00 64.05 60.12 1pw1 n THR 277 Cb 0.18 0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.36 1pw1 n THR 277 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1pw1 s GLN 278 N -1.96 0.52 0.24 -0.78 -0.21 -0.99 -1.22 119.66 115.27 1pw1 s GLN 278 Ca 0.21 0.10 0.03 0.00 0.02 0.00 0.00 55.36 55.72 1pw1 s GLN 278 Cb 0.18 0.24 -0.05 0.00 1.00 0.00 0.00 33.01 34.38 1pw1 s GLN 278 CO 0.02 -0.11 0.02 0.20 -2.12 0.00 0.00 175.29 173.30 1pw1 s GLY 279 N -0.62 1.63 -0.06 3.09 0.00 -0.62 -1.18 107.32 109.57 1pw1 s GLY 279 Ca -0.07 -1.81 0.03 0.00 0.00 0.00 0.00 44.72 42.86 1pw1 s GLY 279 CO 0.02 -1.67 -0.14 -0.47 0.00 0.00 0.00 173.10 170.85 1pw1 s TYR 280 N -3.47 1.56 0.00 1.90 5.04 0.06 -1.34 117.35 121.10 1pw1 s TYR 280 Ca 0.31 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.38 1pw1 s TYR 280 Cb 0.06 -1.12 0.00 0.00 0.35 0.00 0.00 41.96 41.26 1pw1 s TYR 280 CO 0.10 -0.27 0.00 0.41 -1.34 0.00 0.00 175.55 174.45 1pw1 n GLY 281 N 3.68 0.69 3.05 8.97 0.00 0.48 0.15 105.19 122.21 1pw1 n GLY 281 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1pw1 n GLY 281 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pw1 s LEU 282 N 0.00 4.91 -1.56 0.99 1.43 -0.34 -4.12 118.68 120.00 1pw1 s LEU 282 Ca 0.00 -2.25 -0.02 0.00 -1.03 0.00 0.00 54.13 50.83 1pw1 s LEU 282 Cb 0.00 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1pw1 s LEU 282 CO 0.00 -0.42 0.28 0.61 0.23 0.00 0.00 176.35 177.05 1pw1 n GLY 283 N 4.20 -0.43 3.37 -3.19 0.00 -0.79 -4.88 105.19 103.47 1pw1 n GLY 283 Ca 0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1pw1 n GLY 283 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pw1 s LEU 284 N -5.89 0.06 0.05 0.99 2.96 -1.26 -3.52 118.68 112.06 1pw1 s LEU 284 Ca 0.14 0.98 0.03 0.00 -0.22 0.00 0.00 54.13 55.06 1pw1 s LEU 284 Cb -0.06 1.63 -0.04 0.00 0.50 0.00 0.00 46.19 48.22 1pw1 s LEU 284 CO 0.17 -0.18 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.89 1pw1 s ARG 285 N 0.55 2.65 -0.12 1.98 0.52 0.71 -0.39 118.95 124.85 1pw1 s ARG 285 Ca -0.02 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.46 1pw1 s ARG 285 Cb -0.04 -2.59 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 1pw1 s ARG 285 CO -0.03 0.58 -0.14 0.50 0.02 0.00 0.00 175.30 176.23 1pw1 s ARG 286 N -1.93 3.24 -0.08 3.54 3.52 -0.45 -1.15 118.95 125.63 1pw1 s ARG 286 Ca 0.23 -0.70 0.05 0.00 -0.13 0.00 0.00 55.73 55.17 1pw1 s ARG 286 Cb -0.12 -2.57 -0.00 0.00 -1.56 0.00 0.00 34.95 30.70 1pw1 s ARG 286 CO 0.14 0.27 -0.23 1.03 -0.81 0.00 0.00 175.30 175.70 1pw1 s ARG 287 N 0.20 2.71 -0.28 5.12 0.52 -0.48 -1.59 118.95 125.16 1pw1 s ARG 287 Ca -0.09 -0.85 -0.13 0.00 -0.52 0.00 0.00 55.73 54.14 1pw1 s ARG 287 Cb -0.15 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 1pw1 s ARG 287 CO 0.05 0.25 0.30 -0.51 0.02 0.00 0.00 175.30 175.41 1pw1 s ASP 288 N 0.15 6.16 0.40 0.23 1.01 -0.35 -1.28 116.67 122.99 1pw1 s ASP 288 Ca -0.12 0.15 0.01 0.00 0.71 0.00 0.00 52.55 53.29 1pw1 s ASP 288 Cb -0.16 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.58 1pw1 s ASP 288 CO 0.06 -0.14 0.61 -0.76 0.21 0.00 0.00 175.17 175.15 1pw1 s LEU 289 N 1.95 3.82 0.46 1.23 1.43 0.99 -4.94 118.68 123.62 1pw1 s LEU 289 Ca 0.12 0.33 0.15 0.00 -1.03 0.00 0.00 54.13 53.70 1pw1 s LEU 289 Cb -0.16 -3.21 1.06 0.00 0.03 0.00 0.00 46.19 43.91 1pw1 s LEU 289 CO 0.10 -0.51 2.03 0.77 0.23 0.00 0.00 176.35 178.97 1pw1 h SER 290 N 0.57 0.02 -0.34 2.29 4.64 -1.98 -1.65 113.55 117.10 1pw1 h SER 290 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1pw1 h SER 290 Cb 1.24 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1pw1 h SER 290 CO 0.59 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 176.69 1pw1 n GLY 292 N 0.86 0.75 3.85 0.00 0.00 -0.62 -5.05 105.19 104.97 1pw1 n GLY 292 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1pw1 n GLY 292 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pw1 s ILE 293 N -2.26 5.29 -0.06 -0.61 1.01 -1.25 -4.91 121.20 118.41 1pw1 s ILE 293 Ca 0.00 0.50 -0.04 0.00 0.00 0.00 0.00 60.65 61.11 1pw1 s ILE 293 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1pw1 s ILE 293 CO 0.00 0.58 0.15 -0.44 0.00 0.00 0.00 174.94 175.23 1pw1 s SER 294 N -0.90 6.24 0.18 3.58 0.01 -1.26 -0.01 113.70 121.55 1pw1 s SER 294 Ca 0.19 0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.85 1pw1 s SER 294 Cb -0.14 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.08 1pw1 s SER 294 CO 0.08 0.33 -0.07 0.68 0.41 0.00 0.00 173.24 174.66 1pw1 s VAL 295 N -1.17 1.17 -0.02 3.43 -7.23 -0.40 -4.48 120.40 111.69 1pw1 s VAL 295 Ca 0.21 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 1pw1 s VAL 295 Cb -0.12 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.78 1pw1 s VAL 295 CO 0.12 -0.58 -0.04 -0.31 -0.31 0.00 0.00 175.10 173.98 1pw1 s TYR 296 N -3.33 0.52 0.00 2.82 2.02 -0.22 -1.38 117.35 117.78 1pw1 s TYR 296 Ca 0.21 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 1pw1 s TYR 296 Cb 0.03 -0.44 0.00 0.00 -0.40 0.00 0.00 41.96 41.15 1pw1 s TYR 296 CO 0.04 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.33 1pw1 n GLY 297 N 3.60 -0.54 3.44 0.71 0.00 -0.30 -0.48 105.19 111.61 1pw1 n GLY 297 Ca -0.21 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1pw1 n GLY 297 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pw1 s HIS 298 N -2.95 -0.54 0.20 1.61 2.46 0.05 -0.21 115.29 115.91 1pw1 s HIS 298 Ca 0.00 0.61 0.04 0.00 0.47 0.00 0.00 55.06 56.18 1pw1 s HIS 298 Cb 0.00 0.45 -0.03 0.00 -0.13 0.00 0.00 32.58 32.86 1pw1 s HIS 298 CO 0.00 -0.71 0.30 0.95 -2.47 0.00 0.00 174.74 172.81 1pw1 s THR 299 N -2.59 5.17 0.01 0.89 -4.23 -1.26 -1.44 115.64 112.18 1pw1 s THR 299 Ca -0.04 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1pw1 s THR 299 Cb -0.01 -3.74 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 1pw1 s THR 299 CO -0.03 -0.21 -0.02 -0.83 -0.54 0.00 0.00 174.62 172.99 1pw1 s GLY 300 N -3.59 0.11 -0.15 3.99 0.00 0.06 -3.03 107.32 104.71 1pw1 s GLY 300 Ca 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1pw1 s GLY 300 CO 0.28 -0.27 -0.05 -1.59 0.00 0.00 0.00 173.10 171.47 1pw1 s THR 301 N -0.57 1.02 0.09 0.90 2.01 -1.26 -0.88 115.64 116.95 1pw1 s THR 301 Ca -0.06 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1pw1 s THR 301 Cb -0.04 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1pw1 s THR 301 CO -0.00 0.15 -0.09 0.54 -0.69 0.00 0.00 174.62 174.52 1pw1 s VAL 302 N 1.68 0.84 -0.03 3.82 0.11 -0.91 -4.57 120.40 121.33 1pw1 s VAL 302 Ca 0.01 -1.65 -0.33 0.00 -2.93 0.00 0.00 61.98 57.08 1pw1 s VAL 302 Cb -0.15 -1.36 -0.11 0.00 -1.53 0.00 0.00 36.38 33.23 1pw1 s VAL 302 CO -0.08 -0.62 1.86 0.00 -3.33 0.00 0.00 175.10 172.94 1pw1 n GLN 303 N 0.51 2.32 -0.53 1.54 3.00 -1.26 -0.84 117.38 122.11 1pw1 n GLN 303 Ca -0.16 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 1pw1 n GLN 303 Cb 0.58 -2.71 0.00 0.00 0.00 0.00 0.00 30.24 28.11 1pw1 n GLN 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pw1 n GLY 304 N 4.31 0.76 2.89 1.08 0.00 -1.26 -4.71 105.19 108.27 1pw1 n GLY 304 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 1pw1 n GLY 304 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pw1 s TYR 305 N -3.00 -0.21 -0.20 1.61 1.51 -0.02 -1.80 117.35 115.24 1pw1 s TYR 305 Ca 0.00 0.62 -0.05 0.00 -1.01 0.00 0.00 57.07 56.63 1pw1 s TYR 305 Cb 0.00 -0.17 -0.02 0.00 -0.11 0.00 0.00 41.96 41.66 1pw1 s TYR 305 CO 0.00 -0.24 -0.01 0.71 -1.11 0.00 0.00 175.55 174.90 1pw1 s TYR 306 N 1.90 3.03 -0.02 2.71 2.02 -0.42 -2.14 117.35 124.42 1pw1 s TYR 306 Ca -0.02 -0.49 0.08 0.00 -0.37 0.00 0.00 57.07 56.27 1pw1 s TYR 306 Cb -0.12 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.35 1pw1 s TYR 306 CO -0.06 -0.25 -0.25 0.99 -1.57 0.00 0.00 175.55 174.40 1pw1 s THR 307 N 0.99 1.97 -0.08 -0.71 2.01 -0.06 -1.61 115.64 118.17 1pw1 s THR 307 Ca 0.01 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 60.99 1pw1 s THR 307 Cb -0.14 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.73 1pw1 s THR 307 CO 0.02 0.56 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.99 1pw1 s TYR 308 N -0.57 2.14 -0.20 4.92 1.51 -0.32 -0.76 117.35 124.08 1pw1 s TYR 308 Ca 0.09 -0.79 -0.04 0.00 -1.01 0.00 0.00 57.07 55.32 1pw1 s TYR 308 Cb -0.10 -1.45 0.08 0.00 -0.11 0.00 0.00 41.96 40.39 1pw1 s TYR 308 CO -0.01 -0.31 0.18 0.00 -1.11 0.00 0.00 175.55 174.30 1pw1 s ALA 309 N 0.29 -0.06 0.02 3.71 0.00 -0.52 -0.89 121.76 124.31 1pw1 s ALA 309 Ca -0.13 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 1pw1 s ALA 309 Cb -0.16 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 1pw1 s ALA 309 CO 0.06 -1.22 0.06 -0.06 0.00 0.00 0.00 175.76 174.60 1pw1 s PHE 310 N 2.27 0.17 0.14 0.00 0.40 -0.35 -0.77 117.98 119.84 1pw1 s PHE 310 Ca 0.06 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 1pw1 s PHE 310 Cb -0.16 -0.13 -0.04 0.00 0.51 0.00 0.00 43.02 43.20 1pw1 s PHE 310 CO -0.12 -0.27 -0.08 0.00 0.70 0.00 0.00 175.22 175.45 1pw1 s ALA 311 N -1.71 1.33 0.93 5.36 0.00 0.36 -0.61 121.76 127.43 1pw1 s ALA 311 Ca -0.13 -1.46 -0.12 0.00 0.00 0.00 0.00 51.96 50.25 1pw1 s ALA 311 Cb -0.07 0.11 0.15 0.00 0.00 0.00 0.00 23.12 23.31 1pw1 s ALA 311 CO -0.01 -0.15 1.10 -1.54 0.00 0.00 0.00 175.76 175.16 1pw1 s SER 312 N -3.14 3.22 0.34 0.00 1.04 -0.01 -1.05 113.70 114.10 1pw1 s SER 312 Ca 0.16 1.32 0.06 0.00 0.48 0.00 0.00 55.95 57.97 1pw1 s SER 312 Cb 0.04 -1.99 0.73 0.00 0.10 0.00 0.00 66.02 64.89 1pw1 s SER 312 CO -0.01 -2.78 1.90 0.50 0.98 0.00 0.00 173.24 173.83 1pw1 h LYS 313 N -1.65 0.77 -0.13 4.02 1.63 -1.92 -0.76 116.57 118.53 1pw1 h LYS 313 Ca -0.51 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.24 1pw1 h LYS 313 Cb 1.30 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1pw1 h LYS 313 CO 0.57 0.51 0.00 -0.40 -3.45 0.00 0.00 179.45 176.67 1pw1 n ASP 314 N -4.53 2.37 0.00 4.20 5.68 -1.26 -4.62 116.55 118.38 1pw1 n ASP 314 Ca 0.15 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 1pw1 n ASP 314 Cb 0.35 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1pw1 n ASP 314 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pw1 n GLY 315 N 1.28 0.74 0.19 6.12 0.00 -0.29 -4.03 105.19 109.20 1pw1 n GLY 315 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1pw1 n GLY 315 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pw1 h LYS 316 N 2.09 0.00 -5.10 1.61 1.57 -1.89 -3.42 116.57 111.44 1pw1 h LYS 316 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1pw1 h LYS 316 Cb 0.04 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.02 1pw1 h LYS 316 CO 0.00 0.23 -0.86 0.50 -0.57 0.00 0.00 179.45 178.76 1pw1 s ARG 317 N -3.19 2.51 0.05 3.15 3.52 -1.26 -0.81 118.95 122.93 1pw1 s ARG 317 Ca 0.05 -0.71 0.04 0.00 -0.13 0.00 0.00 55.73 54.97 1pw1 s ARG 317 Cb 0.07 -1.95 -0.03 0.00 -1.56 0.00 0.00 34.95 31.48 1pw1 s ARG 317 CO 0.69 0.14 -0.11 -1.54 -0.81 0.00 0.00 175.30 173.67 1pw1 s SER 318 N 0.41 1.29 -0.02 -2.12 1.04 -0.65 -0.83 113.70 112.83 1pw1 s SER 318 Ca -0.16 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 55.72 1pw1 s SER 318 Cb -0.17 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 65.95 1pw1 s SER 318 CO 0.07 -0.12 -0.03 -0.69 0.98 0.00 0.00 173.24 173.44 1pw1 s VAL 319 N -1.25 0.37 -0.07 5.02 1.01 0.23 -0.78 120.40 124.92 1pw1 s VAL 319 Ca -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1pw1 s VAL 319 Cb -0.10 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.93 1pw1 s VAL 319 CO 0.01 0.15 -0.08 -0.89 0.00 0.00 0.00 175.10 174.29 1pw1 s THR 320 N 0.48 0.90 0.05 3.92 2.01 -0.62 -1.21 115.64 121.16 1pw1 s THR 320 Ca -0.05 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.72 1pw1 s THR 320 Cb -0.09 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1pw1 s THR 320 CO -0.00 0.32 -0.21 0.00 -0.69 0.00 0.00 174.62 174.04 1pw1 s ALA 321 N 1.05 1.75 -0.03 7.40 0.00 -0.07 -1.13 121.76 130.73 1pw1 s ALA 321 Ca -0.08 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 1pw1 s ALA 321 Cb -0.14 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.67 1pw1 s ALA 321 CO -0.00 0.39 0.05 -1.17 0.00 0.00 0.00 175.76 175.02 1pw1 s LEU 322 N -1.24 1.10 -0.07 0.00 1.98 -0.38 -1.17 118.68 118.90 1pw1 s LEU 322 Ca 0.07 0.08 0.05 0.00 -2.89 0.00 0.00 54.13 51.44 1pw1 s LEU 322 Cb -0.09 0.00 -0.01 0.00 0.66 0.00 0.00 46.19 46.75 1pw1 s LEU 322 CO 0.02 -0.12 -0.22 0.00 -1.89 0.00 0.00 176.35 174.14 1pw1 s ALA 323 N 0.99 2.30 -0.51 5.97 0.00 -0.63 -0.78 121.76 129.11 1pw1 s ALA 323 Ca -0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 1pw1 s ALA 323 Cb -0.12 -0.80 0.09 0.00 0.00 0.00 0.00 23.12 22.29 1pw1 s ALA 323 CO -0.03 0.40 2.69 0.27 0.00 0.00 0.00 175.76 179.09 1pw1 n ASN 324 N 3.01 6.60 -4.21 0.00 6.94 -0.93 -1.31 115.26 125.37 1pw1 n ASN 324 Ca -0.18 -3.27 -0.12 0.00 -0.02 0.00 0.00 54.58 50.99 1pw1 n ASN 324 Cb 0.52 -1.22 -0.10 0.00 -2.36 0.00 0.00 39.78 36.62 1pw1 n ASN 324 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1pw1 s THR 325 N -2.54 0.17 0.21 5.53 -1.32 -0.75 -1.94 115.64 115.00 1pw1 s THR 325 Ca 0.58 -1.98 0.01 0.00 -1.21 0.00 0.00 61.69 59.10 1pw1 s THR 325 Cb 0.39 -2.38 -0.00 0.00 -1.51 0.00 0.00 72.50 68.99 1pw1 s THR 325 CO -0.24 -0.15 0.25 -1.54 -2.21 0.00 0.00 174.62 170.73 1pw1 n SER 326 N -0.26 -0.67 -3.90 8.08 3.41 -1.13 -2.88 113.62 116.27 1pw1 n SER 326 Ca -0.01 -2.20 -0.27 0.00 -0.26 0.00 0.00 58.87 56.13 1pw1 n SER 326 Cb 0.65 1.34 0.01 0.00 -0.26 0.00 0.00 64.21 65.95 1pw1 n SER 326 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pw1 n ASN 327 N -1.97 -2.68 -3.36 4.04 5.15 -1.26 -2.12 115.26 113.05 1pw1 n ASN 327 Ca 0.02 -0.86 -0.20 0.00 -0.60 0.00 0.00 54.58 52.94 1pw1 n ASN 327 Cb 0.36 -3.63 -0.08 0.00 -0.53 0.00 0.00 39.78 35.89 1pw1 n ASN 327 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1pw1 s ASN 328 N -3.82 1.45 0.42 1.20 3.84 -1.26 -4.64 114.94 112.12 1pw1 s ASN 328 Ca 0.35 -1.88 0.18 0.00 0.21 0.00 0.00 52.86 51.72 1pw1 s ASN 328 Cb -0.18 0.32 0.92 0.00 -0.55 0.00 0.00 41.25 41.76 1pw1 s ASN 328 CO 0.85 -0.25 1.89 -0.37 -2.79 0.00 0.00 177.10 176.43 1pw1 h VAL 329 N 4.98 1.01 -0.51 -5.21 -1.51 -1.98 -1.47 116.25 111.57 1pw1 h VAL 329 Ca 0.08 -1.07 -0.00 0.00 -1.23 0.00 0.00 66.70 64.48 1pw1 h VAL 329 Cb 1.03 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 31.77 1pw1 h VAL 329 CO 0.22 0.28 0.31 0.78 -1.23 0.00 0.00 177.57 177.93 1pw1 h ASN 330 N 0.00 0.61 -0.29 4.19 2.35 -1.95 -0.20 115.58 120.29 1pw1 h ASN 330 Ca -0.00 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1pw1 h ASN 330 Cb 0.58 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1pw1 h ASN 330 CO 0.04 0.48 0.18 0.58 -1.65 0.00 0.00 177.43 177.06 1pw1 h VAL 331 N 0.68 1.06 -0.34 2.81 2.07 -1.71 -0.02 116.25 120.80 1pw1 h VAL 331 Ca 0.18 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1pw1 h VAL 331 Cb -0.01 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1pw1 h VAL 331 CO -0.03 0.07 0.09 0.25 0.02 0.00 0.00 177.57 177.97 1pw1 h LEU 332 N 0.37 0.07 -0.53 2.57 5.85 -0.93 0.21 115.31 122.93 1pw1 h LEU 332 Ca 0.11 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 1pw1 h LEU 332 Cb -0.03 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1pw1 h LEU 332 CO -0.04 0.07 -0.22 0.78 -0.34 0.00 0.00 178.44 178.70 1pw1 h ASN 333 N 0.22 0.99 -0.39 1.25 -0.26 -0.82 -2.92 115.58 113.65 1pw1 h ASN 333 Ca 0.16 -0.37 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 1pw1 h ASN 333 Cb 0.16 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 1pw1 h ASN 333 CO -0.19 1.16 0.25 0.74 -1.06 0.00 0.00 177.43 178.33 1pw1 h THR 334 N 0.83 1.12 0.00 2.81 2.02 -0.63 -2.81 112.91 116.25 1pw1 h THR 334 Ca 0.11 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1pw1 h THR 334 Cb 0.79 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1pw1 h THR 334 CO 0.07 0.12 -0.06 0.24 0.37 0.00 0.00 175.52 176.25 1pw1 h MET 335 N 0.52 0.00 0.00 6.66 2.86 -0.79 -0.09 114.93 124.09 1pw1 h MET 335 Ca 0.14 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1pw1 h MET 335 Cb -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 1pw1 h MET 335 CO -0.03 0.06 -0.07 0.00 1.06 0.00 0.00 176.91 177.93 1pw1 h ALA 336 N 1.94 1.50 0.00 6.32 0.00 -1.32 -1.81 119.26 125.89 1pw1 h ALA 336 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pw1 h ALA 336 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pw1 h ALA 336 CO 0.01 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1pw1 h ARG 337 N 0.00 0.00 -0.42 0.00 3.08 -1.08 -2.12 114.38 113.83 1pw1 h ARG 337 Ca -0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1pw1 h ARG 337 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1pw1 h ARG 337 CO 0.01 0.00 0.29 1.79 -1.07 0.00 0.00 179.97 180.99 1pw1 h THR 338 N 0.00 0.93 -0.55 2.04 1.35 -1.47 -1.84 112.91 113.37 1pw1 h THR 338 Ca 0.00 -0.09 -0.09 0.00 -0.55 0.00 0.00 66.41 65.68 1pw1 h THR 338 Cb 0.26 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 1pw1 h THR 338 CO 0.00 0.05 0.00 -0.07 -0.25 0.00 0.00 175.52 175.25 1pw1 h LEU 339 N 0.28 0.95 0.23 3.87 3.38 -1.59 0.14 115.31 122.57 1pw1 h LEU 339 Ca 0.19 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1pw1 h LEU 339 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1pw1 h LEU 339 CO -0.04 1.02 -0.16 -0.33 0.09 0.00 0.00 178.44 179.02 1pw1 h GLU 340 N 0.85 -0.38 -0.60 1.13 4.39 -1.50 -1.07 114.58 117.40 1pw1 h GLU 340 Ca 0.16 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.82 1pw1 h GLU 340 Cb 0.54 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 1pw1 h GLU 340 CO 0.03 -0.25 0.13 0.77 -1.16 0.00 0.00 179.01 178.53 1pw1 h SER 341 N -0.39 0.89 0.69 1.42 0.02 -1.28 0.25 113.55 115.14 1pw1 h SER 341 Ca -0.01 -0.18 -0.21 0.00 -0.84 0.00 0.00 61.79 60.55 1pw1 h SER 341 Cb 0.34 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1pw1 h SER 341 CO -0.00 0.87 -0.96 0.00 -1.14 0.00 0.00 176.83 175.60 1pw1 h ALA 342 N 1.24 0.42 0.00 3.77 0.00 -0.88 -1.17 119.26 122.63 1pw1 h ALA 342 Ca 0.19 -0.79 -0.39 0.00 0.00 0.00 0.00 54.91 53.92 1pw1 h ALA 342 Cb 0.34 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1pw1 h ALA 342 CO 0.00 1.00 -2.41 1.19 0.00 0.00 0.00 179.25 179.03 1pw1 n PHE 343 N -3.57 0.00 0.10 0.00 3.72 -0.41 -4.08 117.46 113.22 1pw1 n PHE 343 Ca -0.04 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.43 1pw1 n PHE 343 Cb 0.87 -0.93 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 1pw1 n PHE 343 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pw1 n GLY 345 N 1.24 -1.50 3.75 0.00 0.00 -0.94 -4.76 105.19 102.99 1pw1 n GLY 345 Ca -0.02 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1pw1 n GLY 345 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pw1 s LYS 346 N 0.00 4.21 0.00 1.61 1.02 -1.26 -4.75 119.74 120.57 1pw1 s LYS 346 Ca 0.00 2.41 0.00 0.00 0.02 0.00 0.00 55.97 58.40 1pw1 s LYS 346 Cb 0.00 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1pw1 s LYS 346 CO 0.00 -0.47 0.49 -2.30 -0.92 0.00 0.00 175.35 172.15