#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pi4 n PRO 5 N 0.00 1.20 -0.37 0.00 -0.02 -1.26 -4.77 135.00 129.79 1pi4 n PRO 5 Ca 0.00 0.46 0.03 0.00 -2.02 0.00 0.00 63.50 61.97 1pi4 n PRO 5 Cb 0.00 -2.39 0.19 0.00 -0.02 0.00 0.00 33.50 31.28 1pi4 n PRO 5 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1pi4 h GLN 6 N 0.80 1.10 -0.68 -0.52 -0.00 -2.05 -1.85 115.11 111.91 1pi4 h GLN 6 Ca -0.50 -0.07 0.02 0.00 -0.00 0.00 0.00 58.65 58.10 1pi4 h GLN 6 Cb 1.34 -0.25 -0.04 0.00 0.00 0.00 0.00 27.48 28.54 1pi4 h GLN 6 CO 0.53 0.73 0.45 0.37 0.00 0.00 0.00 178.83 180.91 1pi4 h GLN 7 N 1.13 0.86 -0.01 1.69 4.15 -1.99 0.42 115.11 121.36 1pi4 h GLN 7 Ca 0.44 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.79 1pi4 h GLN 7 Cb 0.23 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1pi4 h GLN 7 CO -0.19 0.57 -0.06 0.82 -1.93 0.00 0.00 178.83 178.04 1pi4 h ILE 8 N 0.89 1.52 -0.83 2.39 2.04 -1.72 -2.70 117.51 119.10 1pi4 h ILE 8 Ca 0.26 -1.61 0.05 0.00 1.00 0.00 0.00 64.86 64.56 1pi4 h ILE 8 Cb -0.05 2.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 1pi4 h ILE 8 CO -0.06 0.43 0.52 0.78 0.00 0.00 0.00 178.15 179.82 1pi4 h ASN 9 N -0.58 0.84 0.03 1.72 2.35 -1.20 -0.91 115.58 117.83 1pi4 h ASN 9 Ca -0.00 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pi4 h ASN 9 Cb 0.73 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1pi4 h ASN 9 CO 0.01 0.56 -0.01 -0.78 -1.65 0.00 0.00 177.43 175.56 1pi4 h ASP 10 N 0.99 -0.04 0.36 5.81 3.58 -0.95 -0.71 116.42 125.46 1pi4 h ASP 10 Ca 0.35 -0.12 -0.15 0.00 0.42 0.00 0.00 57.03 57.53 1pi4 h ASP 10 Cb 0.09 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1pi4 h ASP 10 CO -0.14 0.10 -0.62 -0.29 -2.88 0.00 0.00 179.24 175.41 1pi4 h ILE 11 N -0.17 1.39 -0.24 2.25 6.09 -1.30 -1.15 117.51 124.39 1pi4 h ILE 11 Ca -0.00 -2.00 -0.05 0.00 -1.37 0.00 0.00 64.86 61.44 1pi4 h ILE 11 Cb 0.15 2.01 -0.01 0.00 0.47 0.00 0.00 36.82 39.45 1pi4 h ILE 11 CO 0.01 0.59 -0.03 0.58 -3.07 0.00 0.00 178.15 176.23 1pi4 h VAL 12 N 0.19 1.27 -0.44 2.19 2.07 -1.10 -1.34 116.25 119.09 1pi4 h VAL 12 Ca -0.01 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 1pi4 h VAL 12 Cb 1.13 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1pi4 h VAL 12 CO 0.10 0.31 -0.10 -0.74 0.02 0.00 0.00 177.57 177.15 1pi4 h HIS 13 N 0.20 0.87 0.00 1.57 -0.00 -1.03 0.20 115.15 116.95 1pi4 h HIS 13 Ca 0.06 -0.16 -0.07 0.00 -0.00 0.00 0.00 60.37 60.21 1pi4 h HIS 13 Cb 0.47 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1pi4 h HIS 13 CO 0.04 0.85 -0.34 0.00 -0.00 0.00 0.00 177.93 178.49 1pi4 h ARG 14 N 0.72 0.00 0.00 5.26 3.08 -1.13 -3.12 114.38 119.19 1pi4 h ARG 14 Ca 0.12 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.82 1pi4 h ARG 14 Cb 0.59 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 1pi4 h ARG 14 CO 0.04 0.34 -2.16 2.41 -1.07 0.00 0.00 179.97 179.53 1pi4 n THR 15 N -3.96 1.51 0.07 2.04 -1.04 -0.51 -4.45 114.28 107.95 1pi4 n THR 15 Ca -0.02 -0.25 -0.22 0.00 -2.04 0.00 0.00 64.05 61.52 1pi4 n THR 15 Cb 0.40 -1.99 -0.13 0.00 -1.82 0.00 0.00 70.33 66.79 1pi4 n THR 15 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1pi4 h ILE 16 N -0.99 1.30 -0.58 12.58 1.08 -0.79 -2.92 117.51 127.18 1pi4 h ILE 16 Ca -0.53 -2.39 0.05 0.00 -0.39 0.00 0.00 64.86 61.59 1pi4 h ILE 16 Cb 1.46 2.65 -0.05 0.00 -3.07 0.00 0.00 36.82 37.81 1pi4 h ILE 16 CO -0.32 0.73 0.32 0.74 -0.69 0.00 0.00 178.15 178.93 1pi4 h THR 17 N 0.25 0.99 -0.10 -0.27 2.02 -1.61 -0.75 112.91 113.43 1pi4 h THR 17 Ca -0.17 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 66.67 1pi4 h THR 17 Cb 1.83 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1pi4 h THR 17 CO 0.22 0.11 -0.52 -0.65 0.37 0.00 0.00 175.52 175.06 1pi4 h PRO 18 N 0.61 0.27 -0.71 6.66 0.11 -1.75 -2.85 132.00 134.35 1pi4 h PRO 18 Ca 0.25 -0.16 0.05 0.00 0.11 0.00 0.00 66.00 66.25 1pi4 h PRO 18 Cb 0.13 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.20 1pi4 h PRO 18 CO -0.15 0.72 0.43 1.25 -0.21 0.00 0.00 178.00 180.04 1pi4 h LEU 19 N 0.21 0.67 -0.89 2.35 5.85 -1.14 0.17 115.31 122.53 1pi4 h LEU 19 Ca 0.01 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1pi4 h LEU 19 Cb 0.98 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1pi4 h LEU 19 CO 0.08 0.44 0.53 0.40 -0.34 0.00 0.00 178.44 179.56 1pi4 h ILE 20 N 0.80 1.25 -0.39 4.05 2.04 -0.95 -0.55 117.51 123.75 1pi4 h ILE 20 Ca 0.30 -0.55 -0.14 0.00 1.00 0.00 0.00 64.86 65.47 1pi4 h ILE 20 Cb 0.11 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1pi4 h ILE 20 CO -0.15 0.26 -0.32 -0.33 0.00 0.00 0.00 178.15 177.62 1pi4 h GLU 21 N 1.23 0.91 -0.67 2.37 4.39 -1.19 0.11 114.58 121.74 1pi4 h GLU 21 Ca 0.32 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 1pi4 h GLU 21 Cb -0.04 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1pi4 h GLU 21 CO -0.06 1.11 0.18 1.96 -1.16 0.00 0.00 179.01 181.03 1pi4 h GLN 22 N 0.73 1.06 -0.02 2.33 4.20 -0.59 -3.04 115.11 119.78 1pi4 h GLN 22 Ca 0.07 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1pi4 h GLN 22 Cb 0.90 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1pi4 h GLN 22 CO 0.08 0.94 -0.16 1.04 -0.67 0.00 0.00 178.83 180.06 1pi4 n GLN 23 N -4.30 1.64 -3.78 1.46 1.13 -0.25 -4.98 117.38 108.31 1pi4 n GLN 23 Ca 0.04 -1.22 -0.24 0.00 -1.94 0.00 0.00 57.00 53.64 1pi4 n GLN 23 Cb 0.24 -1.47 0.03 0.00 0.11 0.00 0.00 30.24 29.15 1pi4 n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1pi4 n LYS 24 N 0.39 -4.96 -2.60 -1.09 5.02 -0.03 -4.93 118.16 109.96 1pi4 n LYS 24 Ca 0.14 0.60 -0.42 0.00 -2.02 0.00 0.00 58.31 56.60 1pi4 n LYS 24 Cb 0.47 -5.21 -0.03 0.00 -0.02 0.00 0.00 35.03 30.24 1pi4 n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pi4 s ILE 25 N -3.59 4.57 0.22 -0.18 1.01 -0.86 -4.95 121.20 117.42 1pi4 s ILE 25 Ca 0.18 1.86 -0.03 0.00 0.00 0.00 0.00 60.65 62.66 1pi4 s ILE 25 Cb -0.09 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 38.22 1pi4 s ILE 25 CO 0.82 0.03 1.63 -0.65 0.00 0.00 0.00 174.94 176.78 1pi4 h PRO 26 N 7.14 0.71 -2.87 2.79 0.11 -1.88 -3.46 132.00 134.53 1pi4 h PRO 26 Ca -0.34 -0.30 -0.13 0.00 0.11 0.00 0.00 66.00 65.35 1pi4 h PRO 26 Cb 1.17 -0.03 -0.23 0.00 0.11 0.00 0.00 31.00 32.02 1pi4 h PRO 26 CO 0.84 0.89 -0.27 0.20 -0.21 0.00 0.00 178.00 179.46 1pi4 s GLY 27 N -3.90 -0.25 -0.09 -0.55 0.00 -1.21 -0.84 107.32 100.48 1pi4 s GLY 27 Ca -0.09 0.86 -0.11 0.00 0.00 0.00 0.00 44.72 45.38 1pi4 s GLY 27 CO 0.83 0.69 0.29 -0.29 0.00 0.00 0.00 173.10 174.62 1pi4 s MET 28 N -0.25 0.41 -0.03 2.90 1.75 -0.45 -2.34 119.30 121.29 1pi4 s MET 28 Ca -0.04 0.25 0.04 0.00 -1.25 0.00 0.00 55.69 54.69 1pi4 s MET 28 Cb -0.03 0.19 -0.00 0.00 2.84 0.00 0.00 34.83 37.83 1pi4 s MET 28 CO 0.02 -0.07 -0.14 0.00 -0.65 0.00 0.00 175.02 174.17 1pi4 s ALA 29 N -0.20 1.28 0.01 4.11 0.00 -0.00 -1.15 121.76 125.81 1pi4 s ALA 29 Ca -0.03 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.38 1pi4 s ALA 29 Cb -0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1pi4 s ALA 29 CO 0.01 0.25 -0.13 0.08 0.00 0.00 0.00 175.76 175.97 1pi4 s VAL 30 N -0.02 1.01 -0.04 0.00 1.01 -0.20 -0.83 120.40 121.32 1pi4 s VAL 30 Ca -0.01 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1pi4 s VAL 30 Cb -0.09 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1pi4 s VAL 30 CO 0.01 0.19 -0.19 0.00 0.00 0.00 0.00 175.10 175.11 1pi4 s ALA 31 N -0.47 1.67 -0.12 5.51 0.00 -0.37 -1.02 121.76 126.97 1pi4 s ALA 31 Ca 0.04 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1pi4 s ALA 31 Cb -0.06 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 1pi4 s ALA 31 CO 0.00 0.32 -0.16 0.08 0.00 0.00 0.00 175.76 176.00 1pi4 s VAL 32 N -0.07 2.81 -0.26 0.00 1.01 -0.25 -1.13 120.40 122.50 1pi4 s VAL 32 Ca -0.02 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1pi4 s VAL 32 Cb -0.11 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1pi4 s VAL 32 CO 0.02 0.54 0.10 -0.63 0.00 0.00 0.00 175.10 175.13 1pi4 s ILE 33 N 0.26 4.55 -0.07 2.22 1.09 0.61 -0.72 121.20 129.13 1pi4 s ILE 33 Ca -0.11 -0.11 0.01 0.00 -1.10 0.00 0.00 60.65 59.34 1pi4 s ILE 33 Cb -0.16 -3.15 0.02 0.00 -1.06 0.00 0.00 42.46 38.11 1pi4 s ILE 33 CO 0.06 0.30 -0.09 -0.47 -0.10 0.00 0.00 174.94 174.65 1pi4 s TYR 34 N 1.65 1.27 -1.61 3.97 5.04 -0.25 -1.06 117.35 126.35 1pi4 s TYR 34 Ca 0.06 -0.50 -0.15 0.00 -2.44 0.00 0.00 57.07 54.04 1pi4 s TYR 34 Cb -0.15 -1.01 0.12 0.00 0.35 0.00 0.00 41.96 41.26 1pi4 s TYR 34 CO 0.05 -0.33 0.85 1.04 -1.34 0.00 0.00 175.55 175.83 1pi4 n GLN 35 N 4.25 -4.21 -0.26 4.97 6.02 -0.97 -1.03 117.38 126.16 1pi4 n GLN 35 Ca -0.20 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1pi4 n GLN 35 Cb 0.51 -5.23 0.00 0.00 1.02 0.00 0.00 30.24 26.54 1pi4 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pi4 n GLY 36 N -1.56 2.18 3.84 1.08 0.00 -0.86 -5.03 105.19 104.84 1pi4 n GLY 36 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1pi4 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pi4 s LYS 37 N -0.03 3.20 0.07 1.61 -0.14 -0.20 -5.01 119.74 119.25 1pi4 s LYS 37 Ca 0.00 -0.46 -0.09 0.00 -1.36 0.00 0.00 55.97 54.06 1pi4 s LYS 37 Cb 0.00 -2.94 -0.06 0.00 -1.68 0.00 0.00 37.83 33.16 1pi4 s LYS 37 CO 0.00 0.64 0.38 -1.25 -0.76 0.00 0.00 175.35 174.36 1pi4 s PRO 38 N -1.99 3.73 -0.04 -1.68 0.04 -1.26 -1.09 135.00 132.71 1pi4 s PRO 38 Ca 0.27 0.13 0.03 0.00 0.04 0.00 0.00 61.00 61.46 1pi4 s PRO 38 Cb -0.12 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.42 1pi4 s PRO 38 CO 0.18 0.57 -0.11 0.71 0.04 0.00 0.00 177.00 178.40 1pi4 s TYR 39 N -1.40 1.15 0.07 0.56 2.02 0.10 -4.98 117.35 114.87 1pi4 s TYR 39 Ca 0.33 -0.33 0.07 0.00 -0.37 0.00 0.00 57.07 56.77 1pi4 s TYR 39 Cb -0.14 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 1pi4 s TYR 39 CO 0.18 -0.15 -0.12 0.71 -1.57 0.00 0.00 175.55 174.60 1pi4 s TYR 40 N 0.31 2.69 -0.03 2.71 1.51 -1.26 -1.09 117.35 122.18 1pi4 s TYR 40 Ca -0.06 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 55.80 1pi4 s TYR 40 Cb -0.11 -1.46 0.01 0.00 -0.11 0.00 0.00 41.96 40.29 1pi4 s TYR 40 CO 0.01 0.37 0.09 -0.06 -1.11 0.00 0.00 175.55 174.85 1pi4 s PHE 41 N -1.10 -0.09 0.05 2.71 0.08 -0.19 -5.01 117.98 114.44 1pi4 s PHE 41 Ca 0.18 0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.50 1pi4 s PHE 41 Cb -0.11 0.00 -0.03 0.00 -0.57 0.00 0.00 43.02 42.32 1pi4 s PHE 41 CO 0.10 -0.06 -0.07 0.95 -0.10 0.00 0.00 175.22 176.04 1pi4 s THR 42 N 0.23 0.53 -0.03 0.64 -4.23 -1.26 -1.03 115.64 110.48 1pi4 s THR 42 Ca -0.02 -1.27 -0.07 0.00 -1.18 0.00 0.00 61.69 59.16 1pi4 s THR 42 Cb -0.02 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 73.00 1pi4 s THR 42 CO -0.01 -0.51 0.17 0.26 -0.54 0.00 0.00 174.62 173.99 1pi4 s TRP 43 N -1.93 -0.09 0.00 3.99 0.51 -0.30 -5.01 118.94 116.12 1pi4 s TRP 43 Ca -0.05 0.20 0.00 0.00 -2.12 0.00 0.00 56.10 54.12 1pi4 s TRP 43 Cb -0.06 0.02 0.00 0.00 -0.81 0.00 0.00 33.47 32.61 1pi4 s TRP 43 CO -0.01 -0.20 0.00 0.41 -0.51 0.00 0.00 176.95 176.64 1pi4 n GLY 44 N 2.18 -0.10 3.32 0.98 0.00 -1.26 -1.34 105.19 108.97 1pi4 n GLY 44 Ca -0.18 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 1pi4 n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pi4 s TYR 45 N 0.00 2.40 0.13 1.61 4.12 -0.02 -1.62 117.35 123.96 1pi4 s TYR 45 Ca 0.00 -0.47 0.02 0.00 0.02 0.00 0.00 57.07 56.63 1pi4 s TYR 45 Cb 0.00 -1.54 -0.14 0.00 -1.52 0.00 0.00 41.96 38.76 1pi4 s TYR 45 CO 0.00 -0.06 1.28 0.00 0.02 0.00 0.00 175.55 176.80 1pi4 h ALA 46 N 5.61 0.35 -3.08 3.71 0.00 -0.72 -3.21 119.26 121.92 1pi4 h ALA 46 Ca -0.41 -0.82 -0.48 0.00 0.00 0.00 0.00 54.91 53.20 1pi4 h ALA 46 Cb 1.14 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.45 1pi4 h ALA 46 CO 0.47 1.02 -0.75 0.34 0.00 0.00 0.00 179.25 180.33 1pi4 s ASP 47 N -6.93 2.55 0.06 0.00 -1.08 -1.12 -1.11 116.67 109.04 1pi4 s ASP 47 Ca -0.02 -0.71 -0.23 0.00 -0.52 0.00 0.00 52.55 51.07 1pi4 s ASP 47 Cb 0.09 -0.33 -0.15 0.00 -1.46 0.00 0.00 42.92 41.07 1pi4 s ASP 47 CO 0.84 -0.35 1.56 0.40 0.52 0.00 0.00 175.17 178.15 1pi4 h ILE 48 N 6.44 1.16 -0.56 4.11 2.04 -1.86 -0.95 117.51 127.90 1pi4 h ILE 48 Ca -0.16 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.26 1pi4 h ILE 48 Cb 1.13 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 1pi4 h ILE 48 CO 0.31 0.13 0.30 0.00 0.00 0.00 0.00 178.15 178.90 1pi4 h ALA 49 N 0.83 0.72 -0.01 1.87 0.00 -1.98 -1.73 119.26 118.96 1pi4 h ALA 49 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pi4 h ALA 49 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pi4 h ALA 49 CO -0.00 -0.02 -0.06 1.63 0.00 0.00 0.00 179.25 180.79 1pi4 n LYS 50 N -4.83 0.97 -3.91 0.00 5.02 -1.22 -4.93 118.16 109.27 1pi4 n LYS 50 Ca 0.05 -0.34 -0.28 0.00 -2.02 0.00 0.00 58.31 55.72 1pi4 n LYS 50 Cb 0.13 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.66 1pi4 n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pi4 n LYS 51 N -0.71 -4.83 -3.04 1.97 5.02 -0.46 -4.92 118.16 111.18 1pi4 n LYS 51 Ca 0.18 0.55 -0.41 0.00 -2.02 0.00 0.00 58.31 56.61 1pi4 n LYS 51 Cb 0.26 -5.25 -0.06 0.00 -0.02 0.00 0.00 35.03 29.96 1pi4 n LYS 51 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1pi4 s GLN 52 N -6.50 4.08 0.58 1.97 2.00 -0.59 -4.99 119.66 116.21 1pi4 s GLN 52 Ca 0.44 0.61 -0.18 0.00 -2.00 0.00 0.00 55.36 54.23 1pi4 s GLN 52 Cb -0.22 -3.67 -0.04 0.00 0.80 0.00 0.00 33.01 29.88 1pi4 s GLN 52 CO 0.85 -0.49 1.11 -1.25 -0.50 0.00 0.00 175.29 175.01 1pi4 s PRO 53 N 2.65 3.21 0.19 1.67 0.04 -1.26 -0.15 135.00 141.35 1pi4 s PRO 53 Ca 0.29 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1pi4 s PRO 53 Cb -0.15 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1pi4 s PRO 53 CO 0.09 -0.94 1.32 0.08 0.04 0.00 0.00 177.00 177.59 1pi4 s VAL 54 N -2.04 3.21 0.39 -0.36 1.01 -0.64 -4.26 120.40 117.71 1pi4 s VAL 54 Ca 0.70 0.98 0.04 0.00 0.00 0.00 0.00 61.98 63.70 1pi4 s VAL 54 Cb -0.21 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1pi4 s VAL 54 CO 0.32 0.14 0.15 0.42 0.00 0.00 0.00 175.10 176.13 1pi4 s THR 55 N 0.18 0.53 -0.19 3.92 -4.23 -1.26 -4.74 115.64 109.84 1pi4 s THR 55 Ca 0.57 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.35 1pi4 s THR 55 Cb -0.37 -2.38 0.28 0.00 1.34 0.00 0.00 72.50 71.37 1pi4 s THR 55 CO 0.38 0.00 1.80 -0.61 -0.54 0.00 0.00 174.62 175.65 1pi4 h GLN 56 N 1.85 0.00 -0.25 3.99 4.15 -1.97 -2.29 115.11 120.59 1pi4 h GLN 56 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.08 1pi4 h GLN 56 Cb 1.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1pi4 h GLN 56 CO 0.54 0.00 0.00 1.04 -1.93 0.00 0.00 178.83 178.48 1pi4 n GLN 57 N -2.44 2.18 -2.36 1.69 1.13 -1.26 -3.86 117.38 112.45 1pi4 n GLN 57 Ca 0.00 -2.01 -0.42 0.00 -1.94 0.00 0.00 57.00 52.63 1pi4 n GLN 57 Cb 0.15 -1.43 -0.03 0.00 0.11 0.00 0.00 30.24 29.04 1pi4 n GLN 57 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1pi4 s THR 58 N -1.45 3.89 -0.03 5.09 2.01 -0.86 -4.86 115.64 119.43 1pi4 s THR 58 Ca 0.31 1.33 -0.20 0.00 0.31 0.00 0.00 61.69 63.44 1pi4 s THR 58 Cb 0.19 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1pi4 s THR 58 CO 0.27 0.08 0.56 -0.76 -0.69 0.00 0.00 174.62 174.08 1pi4 s LEU 59 N 1.37 4.39 0.09 4.42 1.02 0.61 -4.06 118.68 126.53 1pi4 s LEU 59 Ca 0.60 1.08 0.09 0.00 0.02 0.00 0.00 54.13 55.93 1pi4 s LEU 59 Cb -0.30 -2.86 -0.04 0.00 0.02 0.00 0.00 46.19 43.01 1pi4 s LEU 59 CO 0.28 0.10 -0.23 -0.36 0.02 0.00 0.00 176.35 176.16 1pi4 s PHE 60 N -0.09 2.41 -0.02 0.29 0.40 -0.01 -0.98 117.98 119.98 1pi4 s PHE 60 Ca 0.30 -0.34 -0.30 0.00 -0.60 0.00 0.00 56.93 55.99 1pi4 s PHE 60 Cb -0.17 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1pi4 s PHE 60 CO 0.16 0.29 1.28 -1.21 0.70 0.00 0.00 175.22 176.43 1pi4 s GLU 61 N -1.79 4.34 0.22 0.44 2.02 -1.26 -1.51 118.70 121.16 1pi4 s GLU 61 Ca 0.15 1.80 0.25 0.00 0.02 0.00 0.00 54.97 57.18 1pi4 s GLU 61 Cb -0.10 -3.53 0.59 0.00 0.10 0.00 0.00 34.13 31.19 1pi4 s GLU 61 CO 0.06 -0.47 1.61 -0.07 0.02 0.00 0.00 175.26 176.41 1pi4 h LEU 62 N 8.03 0.00 0.00 1.80 3.38 -1.49 -3.43 115.31 123.59 1pi4 h LEU 62 Ca -0.37 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1pi4 h LEU 62 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1pi4 h LEU 62 CO 0.88 0.03 0.00 0.61 0.09 0.00 0.00 178.44 180.05 1pi4 n GLY 63 N 1.28 2.64 0.00 0.83 0.00 -1.25 -2.00 105.19 106.69 1pi4 n GLY 63 Ca 0.05 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 45.78 1pi4 n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pi4 n SER 64 N 0.63 0.00 0.31 1.61 3.41 -1.25 -0.96 113.62 117.37 1pi4 n SER 64 Ca 0.00 0.39 0.20 0.00 -0.26 0.00 0.00 58.87 59.20 1pi4 n SER 64 Cb 0.00 -0.42 1.00 0.00 -0.26 0.00 0.00 64.21 64.53 1pi4 n SER 64 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1pi4 h VAL 65 N 0.00 0.12 -0.46 -3.33 2.07 -1.47 -1.04 116.25 112.13 1pi4 h VAL 65 Ca 0.00 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.45 1pi4 h VAL 65 Cb 0.08 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1pi4 h VAL 65 CO 0.00 0.02 0.33 0.28 0.02 0.00 0.00 177.57 178.22 1pi4 h SER 66 N 0.00 0.00 0.02 0.57 0.02 -1.23 -1.02 113.55 111.91 1pi4 h SER 66 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pi4 h SER 66 Cb 0.17 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1pi4 h SER 66 CO 0.00 0.00 -0.01 0.11 -1.14 0.00 0.00 176.83 175.80 1pi4 h LYS 67 N 0.01 0.00 -0.25 3.45 1.57 -1.35 -0.71 116.57 119.28 1pi4 h LYS 67 Ca 0.22 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.87 1pi4 h LYS 67 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1pi4 h LYS 67 CO -0.00 0.01 -0.40 1.79 -0.57 0.00 0.00 179.45 180.28 1pi4 h THR 68 N 0.00 1.30 -0.41 -0.16 1.35 -1.37 0.63 112.91 114.25 1pi4 h THR 68 Ca -0.00 -1.56 -0.11 0.00 -0.55 0.00 0.00 66.41 64.20 1pi4 h THR 68 Cb 0.02 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1pi4 h THR 68 CO 0.00 0.49 -0.16 -0.26 -0.25 0.00 0.00 175.52 175.34 1pi4 h PHE 69 N 0.48 0.95 -0.76 4.73 0.04 -1.28 -1.74 116.94 119.36 1pi4 h PHE 69 Ca 0.04 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1pi4 h PHE 69 Cb 0.90 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 1pi4 h PHE 69 CO 0.04 0.98 0.42 1.15 -0.60 0.00 0.00 178.31 180.29 1pi4 h THR 70 N 0.65 1.23 -0.32 -1.55 2.02 -1.09 0.08 112.91 113.93 1pi4 h THR 70 Ca 0.10 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 1pi4 h THR 70 Cb 0.71 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1pi4 h THR 70 CO 0.05 0.26 0.13 1.23 0.37 0.00 0.00 175.52 177.56 1pi4 h GLY 71 N 1.05 0.51 1.08 2.16 0.00 -0.76 -0.47 103.07 106.64 1pi4 h GLY 71 Ca 0.27 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1pi4 h GLY 71 CO -0.04 0.26 0.13 -2.08 0.00 0.00 0.00 176.54 174.81 1pi4 h VAL 72 N 0.37 1.26 -0.72 4.60 2.07 -1.11 0.09 116.25 122.82 1pi4 h VAL 72 Ca 0.11 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1pi4 h VAL 72 Cb 0.18 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1pi4 h VAL 72 CO -0.01 0.39 0.28 0.25 0.02 0.00 0.00 177.57 178.50 1pi4 h LEU 73 N 1.06 1.00 -0.59 2.57 5.85 -0.75 0.15 115.31 124.60 1pi4 h LEU 73 Ca 0.21 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1pi4 h LEU 73 Cb 0.42 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1pi4 h LEU 73 CO 0.01 0.91 0.31 1.23 -0.34 0.00 0.00 178.44 180.55 1pi4 h GLY 74 N 1.03 0.89 0.73 3.75 0.00 -0.81 -1.41 103.07 107.24 1pi4 h GLY 74 Ca 0.24 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 47.20 1pi4 h GLY 74 CO -0.02 0.40 0.40 -1.33 0.00 0.00 0.00 176.54 175.99 1pi4 h GLY 75 N 0.80 1.00 1.38 4.60 0.00 -0.24 -1.05 103.07 109.56 1pi4 h GLY 75 Ca 0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1pi4 h GLY 75 CO -0.03 0.19 0.10 -1.80 0.00 0.00 0.00 176.54 175.00 1pi4 h ASP 76 N 0.74 0.73 -0.33 0.19 3.58 -0.35 -0.67 116.42 120.31 1pi4 h ASP 76 Ca 0.30 -0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.53 1pi4 h ASP 76 Cb 0.15 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1pi4 h ASP 76 CO -0.16 0.74 -0.09 0.00 -2.88 0.00 0.00 179.24 176.84 1pi4 h ALA 77 N 1.36 1.05 -0.20 -0.78 0.00 -0.47 -0.26 119.26 119.96 1pi4 h ALA 77 Ca 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1pi4 h ALA 77 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1pi4 h ALA 77 CO 0.00 0.58 0.01 0.82 0.00 0.00 0.00 179.25 180.67 1pi4 h ILE 78 N 0.68 1.24 -0.33 0.00 2.04 -0.71 -1.21 117.51 119.23 1pi4 h ILE 78 Ca 0.12 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1pi4 h ILE 78 Cb 0.55 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1pi4 h ILE 78 CO 0.03 0.25 0.16 0.00 0.00 0.00 0.00 178.15 178.60 1pi4 h ALA 79 N 0.80 1.68 0.00 1.87 0.00 -0.77 0.43 119.26 123.28 1pi4 h ALA 79 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pi4 h ALA 79 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pi4 h ALA 79 CO 0.01 0.27 0.00 0.54 0.00 0.00 0.00 179.25 180.07 1pi4 n ARG 80 N -4.44 0.24 -1.04 0.00 1.74 -0.14 -4.90 116.66 108.13 1pi4 n ARG 80 Ca 0.02 0.07 -0.01 0.00 -0.77 0.00 0.00 57.85 57.15 1pi4 n ARG 80 Cb 0.11 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.04 1pi4 n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pi4 n GLY 81 N 0.81 0.51 0.09 -0.13 0.00 0.14 -4.93 105.19 101.68 1pi4 n GLY 81 Ca 0.10 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1pi4 n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pi4 h GLU 82 N 0.46 0.15 -4.31 1.61 5.08 -1.42 -3.47 114.58 112.68 1pi4 h GLU 82 Ca -0.03 -0.26 -0.15 0.00 -1.00 0.00 0.00 59.36 57.92 1pi4 h GLU 82 Cb 0.16 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 29.35 1pi4 h GLU 82 CO 0.04 1.10 -0.64 0.96 -1.00 0.00 0.00 179.01 179.47 1pi4 s ILE 83 N -2.67 0.15 -0.03 3.13 -4.36 -1.19 -4.81 121.20 111.41 1pi4 s ILE 83 Ca -0.02 -1.83 0.04 0.00 -0.26 0.00 0.00 60.65 58.57 1pi4 s ILE 83 Cb 0.08 -1.80 -0.00 0.00 1.25 0.00 0.00 42.46 41.99 1pi4 s ILE 83 CO 0.85 -0.69 -0.13 -0.54 0.24 0.00 0.00 174.94 174.68 1pi4 s LYS 84 N -3.99 1.27 0.58 0.37 1.02 -1.26 -4.28 119.74 113.45 1pi4 s LYS 84 Ca 0.16 -0.46 0.36 0.00 0.02 0.00 0.00 55.97 56.05 1pi4 s LYS 84 Cb 0.07 -1.16 1.74 0.00 -0.52 0.00 0.00 37.83 37.97 1pi4 s LYS 84 CO -0.04 0.21 2.14 -0.07 -0.92 0.00 0.00 175.35 176.67 1pi4 h LEU 85 N 6.17 0.00 -0.01 3.17 3.38 -1.98 -1.94 115.31 124.08 1pi4 h LEU 85 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1pi4 h LEU 85 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1pi4 h LEU 85 CO 0.48 0.04 -0.02 -1.54 0.09 0.00 0.00 178.44 177.49 1pi4 n SER 86 N -3.23 0.04 -4.80 -0.43 3.41 -1.26 -1.03 113.62 106.32 1pi4 n SER 86 Ca -0.01 0.16 -0.35 0.00 -0.26 0.00 0.00 58.87 58.41 1pi4 n SER 86 Cb 0.21 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.73 1pi4 n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1pi4 s ASP 87 N -2.80 7.15 0.58 4.04 -0.00 -0.73 -4.85 116.67 120.05 1pi4 s ASP 87 Ca 0.20 1.71 -0.19 0.00 -0.00 0.00 0.00 52.55 54.28 1pi4 s ASP 87 Cb 0.20 -2.54 -0.04 0.00 -0.00 0.00 0.00 42.92 40.54 1pi4 s ASP 87 CO 0.51 -0.16 1.22 -2.16 -0.00 0.00 0.00 175.17 174.58 1pi4 s PRO 88 N -2.46 3.05 0.27 8.23 0.04 -1.26 -1.54 135.00 141.33 1pi4 s PRO 88 Ca 0.53 1.86 -0.00 0.00 0.04 0.00 0.00 61.00 63.43 1pi4 s PRO 88 Cb -0.15 -2.00 0.53 0.00 0.04 0.00 0.00 34.50 32.92 1pi4 s PRO 88 CO 0.20 -1.15 1.81 1.15 0.04 0.00 0.00 177.00 179.05 1pi4 h THR 89 N 1.02 0.85 0.00 1.26 2.02 -1.48 -1.82 112.91 114.77 1pi4 h THR 89 Ca -0.50 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1pi4 h THR 89 Cb 1.29 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1pi4 h THR 89 CO 0.56 0.15 0.00 0.74 0.37 0.00 0.00 175.52 177.34 1pi4 h THR 90 N 0.84 0.00 -0.39 3.16 2.02 -1.83 -1.62 112.91 115.09 1pi4 h THR 90 Ca 0.47 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.44 1pi4 h THR 90 Cb 0.54 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1pi4 h THR 90 CO -0.29 0.00 0.19 0.50 0.37 0.00 0.00 175.52 176.29 1pi4 h LYS 91 N 0.00 0.54 -0.01 6.66 3.64 -1.69 -2.60 116.57 123.10 1pi4 h LYS 91 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1pi4 h LYS 91 Cb 0.25 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1pi4 h LYS 91 CO 0.00 0.42 -0.66 0.66 -2.27 0.00 0.00 179.45 177.60 1pi4 n TYR 92 N -4.42 0.00 -3.25 1.91 4.02 -0.65 -4.55 117.16 110.23 1pi4 n TYR 92 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.68 1pi4 n TYR 92 Cb 0.11 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.35 1pi4 n TYR 92 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1pi4 n TRP 93 N -0.56 -0.95 0.12 -0.72 -0.00 -0.99 -4.97 117.44 109.38 1pi4 n TRP 93 Ca 0.07 -3.25 0.18 0.00 -0.00 0.00 0.00 57.50 54.51 1pi4 n TRP 93 Cb 0.42 0.12 0.76 0.00 -0.00 0.00 0.00 31.31 32.61 1pi4 n TRP 93 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1pi4 h PRO 94 N 4.82 0.00 0.00 5.87 0.13 -1.71 -1.13 132.00 139.98 1pi4 h PRO 94 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1pi4 h PRO 94 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1pi4 h PRO 94 CO 0.39 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.55 1pi4 n GLU 95 N -3.99 0.08 -2.63 0.86 4.71 -1.26 -4.23 120.64 114.17 1pi4 n GLU 95 Ca 0.05 0.27 -0.43 0.00 -0.01 0.00 0.00 57.16 57.04 1pi4 n GLU 95 Cb 0.46 -1.63 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 1pi4 n GLU 95 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1pi4 n LEU 96 N -1.77 5.37 -0.44 -4.62 7.94 -0.43 -4.72 117.00 118.33 1pi4 n LEU 96 Ca 0.04 -4.22 0.12 0.00 -1.11 0.00 0.00 56.01 50.83 1pi4 n LEU 96 Cb 0.22 -1.67 0.17 0.00 0.53 0.00 0.00 43.42 42.68 1pi4 n LEU 96 CO 0.18 0.57 0.48 0.35 -1.11 0.00 0.00 177.39 177.87 1pi4 n THR 97 N 5.29 0.00 -1.96 1.96 -2.24 -1.26 -4.74 114.28 111.33 1pi4 n THR 97 Ca 0.44 -0.23 -0.38 0.00 -2.27 0.00 0.00 64.05 61.61 1pi4 n THR 97 Cb 0.43 0.93 0.02 0.00 -2.10 0.00 0.00 70.33 69.61 1pi4 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pi4 s ALA 98 N -2.43 2.92 0.50 6.98 0.00 -1.26 -4.89 121.76 123.59 1pi4 s ALA 98 Ca 0.22 1.20 0.21 0.00 0.00 0.00 0.00 51.96 53.60 1pi4 s ALA 98 Cb 0.19 -3.50 1.38 0.00 0.00 0.00 0.00 23.12 21.19 1pi4 s ALA 98 CO 0.52 -1.09 2.12 1.57 0.00 0.00 0.00 175.76 178.88 1pi4 h LYS 99 N 1.78 0.00 0.00 0.00 2.10 -1.93 -2.13 116.57 116.39 1pi4 h LYS 99 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1pi4 h LYS 99 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1pi4 h LYS 99 CO 0.59 0.07 0.00 0.00 -2.00 0.00 0.00 179.45 178.11 1pi4 n GLN 100 N -4.14 0.11 0.00 0.07 0.00 -1.26 -1.98 117.38 110.18 1pi4 n GLN 100 Ca -0.03 0.39 0.14 0.00 0.00 0.00 0.00 57.00 57.50 1pi4 n GLN 100 Cb 0.15 -1.72 0.57 0.00 0.00 0.00 0.00 30.24 29.24 1pi4 n GLN 100 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1pi4 n TRP 101 N -1.93 0.00 -2.28 2.61 7.02 -0.80 -4.76 117.44 117.30 1pi4 n TRP 101 Ca 0.02 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.08 1pi4 n TRP 101 Cb 0.17 -0.27 -0.03 0.00 -2.42 0.00 0.00 31.31 28.77 1pi4 n TRP 101 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1pi4 s ASN 102 N -2.67 6.91 0.00 -0.99 0.01 -0.84 -1.77 114.94 115.60 1pi4 s ASN 102 Ca 0.23 2.08 0.00 0.00 -0.71 0.00 0.00 52.86 54.46 1pi4 s ASN 102 Cb 0.19 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.29 1pi4 s ASN 102 CO 0.52 -0.65 0.00 0.61 -1.51 0.00 0.00 177.10 176.06 1pi4 n GLY 103 N 3.52 0.61 3.59 0.66 0.00 -1.26 -5.03 105.19 107.28 1pi4 n GLY 103 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1pi4 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pi4 s ILE 104 N -2.17 5.11 0.45 -0.61 1.01 -0.73 -4.89 121.20 119.37 1pi4 s ILE 104 Ca 0.00 0.50 0.08 0.00 0.00 0.00 0.00 60.65 61.23 1pi4 s ILE 104 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1pi4 s ILE 104 CO 0.00 0.01 0.48 0.42 0.00 0.00 0.00 174.94 175.85 1pi4 s THR 105 N 2.20 2.62 0.42 2.92 -4.23 -1.26 -1.32 115.64 116.98 1pi4 s THR 105 Ca 0.17 -1.22 0.08 0.00 -1.18 0.00 0.00 61.69 59.54 1pi4 s THR 105 Cb -0.16 -2.83 0.27 0.00 1.34 0.00 0.00 72.50 71.12 1pi4 s THR 105 CO 0.11 0.00 2.07 -0.07 -0.54 0.00 0.00 174.62 176.18 1pi4 h LEU 106 N 0.80 0.43 -0.38 4.79 3.38 -1.25 -1.52 115.31 121.56 1pi4 h LEU 106 Ca -0.39 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.62 1pi4 h LEU 106 Cb 1.28 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1pi4 h LEU 106 CO 0.52 0.31 0.11 0.25 0.09 0.00 0.00 178.44 179.72 1pi4 h LEU 107 N 0.51 0.08 -0.53 1.67 5.85 -1.36 -0.32 115.31 121.20 1pi4 h LEU 107 Ca 0.14 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1pi4 h LEU 107 Cb -0.05 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1pi4 h LEU 107 CO -0.03 0.08 0.31 0.45 -0.34 0.00 0.00 178.44 178.91 1pi4 h HIS 108 N 0.25 0.57 -0.34 1.25 3.86 -1.57 -1.73 115.15 117.44 1pi4 h HIS 108 Ca 0.18 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1pi4 h HIS 108 Cb 0.19 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1pi4 h HIS 108 CO -0.17 0.32 0.16 -0.07 0.86 0.00 0.00 177.93 179.03 1pi4 h LEU 109 N 0.61 0.44 -1.91 2.43 3.38 -1.02 -0.80 115.31 118.44 1pi4 h LEU 109 Ca 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1pi4 h LEU 109 Cb 0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1pi4 h LEU 109 CO -0.11 0.45 -0.12 0.00 0.09 0.00 0.00 178.44 178.75 1pi4 h ALA 110 N 1.01 1.51 -0.17 1.53 0.00 -0.67 -2.78 119.26 119.70 1pi4 h ALA 110 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pi4 h ALA 110 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pi4 h ALA 110 CO -0.01 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.63 1pi4 n THR 111 N -3.97 1.46 -2.16 0.00 -2.24 -0.69 -4.45 114.28 102.24 1pi4 n THR 111 Ca -0.02 -1.44 -0.15 0.00 -2.27 0.00 0.00 64.05 60.17 1pi4 n THR 111 Cb 0.21 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 1pi4 n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1pi4 n TYR 112 N -0.36 -0.61 -1.01 4.78 4.02 -0.81 -4.81 117.16 118.36 1pi4 n TYR 112 Ca 0.11 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.10 1pi4 n TYR 112 Cb 0.53 -3.07 0.20 0.00 -0.02 0.00 0.00 39.34 36.98 1pi4 n TYR 112 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1pi4 n THR 113 N -3.80 2.09 0.39 -0.72 -2.24 -0.37 -1.06 114.28 108.56 1pi4 n THR 113 Ca -0.17 -2.04 0.13 0.00 -2.27 0.00 0.00 64.05 59.70 1pi4 n THR 113 Cb 0.61 -0.23 0.51 0.00 -2.10 0.00 0.00 70.33 69.12 1pi4 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pi4 h ALA 114 N 0.98 1.00 0.00 6.98 0.00 -1.79 0.11 119.26 126.54 1pi4 h ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pi4 h ALA 114 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1pi4 h ALA 114 CO 0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1pi4 n GLY 115 N 0.25 1.43 0.00 0.00 0.00 -1.26 -4.17 105.19 101.43 1pi4 n GLY 115 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1pi4 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pi4 n GLY 116 N -0.05 1.27 3.66 -0.02 0.00 -1.26 -0.59 105.19 108.21 1pi4 n GLY 116 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pi4 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pi4 n LEU 117 N 0.00 3.39 -4.78 0.99 4.77 -1.26 -4.72 117.00 115.39 1pi4 n LEU 117 Ca 0.00 1.10 -0.35 0.00 -0.03 0.00 0.00 56.01 56.73 1pi4 n LEU 117 Cb 0.00 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 39.64 1pi4 n LEU 117 CO 0.00 -0.94 0.77 -2.16 -1.33 0.00 0.00 177.39 173.73 1pi4 s PRO 118 N -2.07 3.57 0.23 3.23 0.04 -1.26 -4.77 135.00 133.97 1pi4 s PRO 118 Ca 0.61 1.57 -0.09 0.00 0.04 0.00 0.00 61.00 63.13 1pi4 s PRO 118 Cb -0.54 -2.12 0.37 0.00 0.04 0.00 0.00 34.50 32.25 1pi4 s PRO 118 CO 0.58 -0.66 1.65 1.25 0.04 0.00 0.00 177.00 179.86 1pi4 h LEU 119 N 1.49 -0.32 -8.86 -3.56 5.85 -1.90 -3.22 115.31 104.79 1pi4 h LEU 119 Ca -0.50 0.18 -0.69 0.00 0.84 0.00 0.00 57.88 57.71 1pi4 h LEU 119 Cb 1.25 0.31 -0.24 0.00 0.37 0.00 0.00 40.66 42.35 1pi4 h LEU 119 CO 0.58 -0.15 -0.84 -1.10 -0.34 0.00 0.00 178.44 176.60 1pi4 s GLN 120 N -6.13 1.95 0.25 1.25 -1.52 -1.26 -0.75 119.66 113.45 1pi4 s GLN 120 Ca -0.13 -1.04 -0.30 0.00 -1.95 0.00 0.00 55.36 51.94 1pi4 s GLN 120 Cb 0.21 -2.09 -0.09 0.00 -0.22 0.00 0.00 33.01 30.81 1pi4 s GLN 120 CO 0.75 0.53 1.17 0.08 -0.25 0.00 0.00 175.29 177.57 1pi4 s VAL 121 N -0.87 3.38 0.48 1.09 1.01 -1.26 -4.84 120.40 119.39 1pi4 s VAL 121 Ca 0.13 1.30 -0.22 0.00 0.00 0.00 0.00 61.98 63.19 1pi4 s VAL 121 Cb -0.10 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1pi4 s VAL 121 CO 0.04 0.27 0.83 -2.65 0.00 0.00 0.00 175.10 173.59 1pi4 n PRO 122 N 1.61 0.97 -0.27 2.72 -0.02 -1.26 -4.86 135.00 133.90 1pi4 n PRO 122 Ca 0.01 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1pi4 n PRO 122 Cb 0.44 -1.91 0.22 0.00 -0.02 0.00 0.00 33.50 32.23 1pi4 n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1pi4 h ASP 123 N 0.98 0.15 1.09 2.55 5.19 -2.03 -2.41 116.42 121.94 1pi4 h ASP 123 Ca -0.45 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1pi4 h ASP 123 Cb 1.36 0.16 0.00 0.00 0.18 0.00 0.00 39.33 41.04 1pi4 h ASP 123 CO 0.53 -0.00 0.00 -0.62 -3.12 0.00 0.00 179.24 176.03 1pi4 n GLU 124 N -5.10 0.10 -2.32 3.56 4.71 -1.26 -4.77 120.64 115.56 1pi4 n GLU 124 Ca 0.17 0.12 -0.42 0.00 -0.01 0.00 0.00 57.16 57.01 1pi4 n GLU 124 Cb 0.51 -1.62 -0.03 0.00 -1.01 0.00 0.00 31.44 29.29 1pi4 n GLU 124 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1pi4 s VAL 125 N -3.05 4.03 0.16 2.62 1.01 -0.91 -4.82 120.40 119.44 1pi4 s VAL 125 Ca 0.12 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1pi4 s VAL 125 Cb 0.15 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1pi4 s VAL 125 CO 0.52 -0.07 0.00 1.17 0.00 0.00 0.00 175.10 176.72 1pi4 n LYS 126 N 6.11 0.00 -1.70 2.72 4.81 -1.26 -4.01 118.16 124.83 1pi4 n LYS 126 Ca 0.14 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.28 1pi4 n LYS 126 Cb 0.44 -0.18 0.08 0.00 0.02 0.00 0.00 35.03 35.39 1pi4 n LYS 126 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1pi4 s SER 127 N -5.27 4.70 0.30 3.14 1.04 -1.26 -4.75 113.70 111.60 1pi4 s SER 127 Ca 0.00 1.15 -0.01 0.00 0.48 0.00 0.00 55.95 57.57 1pi4 s SER 127 Cb 0.00 -1.86 0.47 0.00 0.10 0.00 0.00 66.02 64.72 1pi4 s SER 127 CO 0.00 -1.82 1.95 0.28 0.98 0.00 0.00 173.24 174.63 1pi4 h SER 128 N -0.99 0.94 -0.29 7.02 0.02 -2.00 -0.54 113.55 117.71 1pi4 h SER 128 Ca -0.47 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 1pi4 h SER 128 Cb 1.28 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1pi4 h SER 128 CO 0.62 0.66 0.10 -1.28 -1.14 0.00 0.00 176.83 175.79 1pi4 h SER 129 N 1.10 0.42 -0.92 3.07 0.87 -2.00 -1.05 113.55 115.04 1pi4 h SER 129 Ca 0.33 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1pi4 h SER 129 Cb -0.02 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 1pi4 h SER 129 CO -0.09 0.49 0.60 0.44 -0.53 0.00 0.00 176.83 177.74 1pi4 h ASP 130 N 0.32 1.00 -0.39 6.23 3.45 -1.77 -1.77 116.42 123.48 1pi4 h ASP 130 Ca 0.10 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.49 1pi4 h ASP 130 Cb 0.22 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1pi4 h ASP 130 CO -0.01 0.69 0.03 -0.07 -1.57 0.00 0.00 179.24 178.31 1pi4 h LEU 131 N 1.16 0.65 -0.40 1.55 3.38 -0.81 -0.75 115.31 120.10 1pi4 h LEU 131 Ca 0.36 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1pi4 h LEU 131 Cb -0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1pi4 h LEU 131 CO -0.12 0.78 0.17 0.25 0.09 0.00 0.00 178.44 179.62 1pi4 h LEU 132 N 0.50 0.23 -0.97 1.67 5.85 -0.74 -0.66 115.31 121.20 1pi4 h LEU 132 Ca 0.11 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1pi4 h LEU 132 Cb 0.43 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1pi4 h LEU 132 CO 0.01 0.17 0.24 0.03 -0.34 0.00 0.00 178.44 178.56 1pi4 h ARG 133 N 0.36 0.99 0.25 1.25 3.08 -1.16 0.11 114.38 119.26 1pi4 h ARG 133 Ca 0.17 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1pi4 h ARG 133 Cb 0.12 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1pi4 h ARG 133 CO -0.15 0.82 -0.12 0.35 -1.07 0.00 0.00 179.97 179.81 1pi4 h PHE 134 N 0.97 -0.31 -0.25 3.04 3.57 -0.54 -1.59 116.94 121.83 1pi4 h PHE 134 Ca 0.22 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 1pi4 h PHE 134 Cb 0.22 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1pi4 h PHE 134 CO 0.02 -0.16 -0.36 1.88 -2.23 0.00 0.00 178.31 177.46 1pi4 h TYR 135 N -0.37 0.64 -0.01 0.41 0.05 -0.92 -1.64 116.97 115.14 1pi4 h TYR 135 Ca -0.03 -0.17 -0.05 0.00 0.05 0.00 0.00 58.73 58.53 1pi4 h TYR 135 Cb 0.28 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1pi4 h TYR 135 CO -0.05 0.83 -0.21 1.96 -1.05 0.00 0.00 178.16 179.64 1pi4 h GLN 136 N 0.46 0.01 0.00 4.88 1.08 -0.74 -2.87 115.11 117.93 1pi4 h GLN 136 Ca 0.05 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1pi4 h GLN 136 Cb 0.84 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1pi4 h GLN 136 CO 0.07 0.22 -0.73 0.09 -0.95 0.00 0.00 178.83 177.53 1pi4 n ASN 137 N -4.28 0.64 -4.74 1.46 3.02 -0.60 -4.83 115.26 105.93 1pi4 n ASN 137 Ca -0.02 -0.39 -0.41 0.00 -0.03 0.00 0.00 54.58 53.72 1pi4 n ASN 137 Cb 0.27 0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 39.95 1pi4 n ASN 137 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1pi4 s TRP 138 N -3.05 3.10 -0.08 3.10 -0.00 -0.64 -5.01 118.94 116.35 1pi4 s TRP 138 Ca 0.09 1.08 0.04 0.00 -0.00 0.00 0.00 56.10 57.31 1pi4 s TRP 138 Cb 0.16 -3.75 -0.01 0.00 -0.00 0.00 0.00 33.47 29.87 1pi4 s TRP 138 CO 0.76 -2.42 -0.20 -0.65 -0.00 0.00 0.00 176.95 174.44 1pi4 s GLN 139 N -0.28 2.80 0.64 5.86 -1.52 -1.26 -4.97 119.66 120.93 1pi4 s GLN 139 Ca 0.59 -0.81 -0.17 0.00 -1.95 0.00 0.00 55.36 53.01 1pi4 s GLN 139 Cb -0.40 -2.33 -0.01 0.00 -0.22 0.00 0.00 33.01 30.05 1pi4 s GLN 139 CO 0.41 0.36 1.15 -1.25 -0.25 0.00 0.00 175.29 175.71 1pi4 s PRO 140 N -0.08 2.83 0.09 2.91 0.04 -1.26 -4.95 135.00 134.57 1pi4 s PRO 140 Ca -0.05 1.59 0.17 0.00 0.04 0.00 0.00 61.00 62.75 1pi4 s PRO 140 Cb -0.14 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1pi4 s PRO 140 CO 0.04 -1.27 0.88 0.00 0.04 0.00 0.00 177.00 176.70 1pi4 h ALA 141 N 0.38 0.64 -2.70 8.56 0.00 -1.13 -3.49 119.26 121.51 1pi4 h ALA 141 Ca -0.48 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 53.60 1pi4 h ALA 141 Cb 1.27 0.23 -0.12 0.00 0.00 0.00 0.00 17.79 19.17 1pi4 h ALA 141 CO 0.54 0.81 -0.25 -1.58 0.00 0.00 0.00 179.25 178.77 1pi4 s TRP 142 N -2.97 0.36 0.79 0.00 0.51 -1.05 -5.02 118.94 111.56 1pi4 s TRP 142 Ca -0.02 -0.71 -0.11 0.00 -2.12 0.00 0.00 56.10 53.14 1pi4 s TRP 142 Cb 0.09 0.02 0.07 0.00 -0.81 0.00 0.00 33.47 32.83 1pi4 s TRP 142 CO 0.81 -0.79 1.09 0.00 -0.51 0.00 0.00 176.95 177.54 1pi4 s ALA 143 N -3.97 2.17 0.32 0.98 0.00 -1.26 -4.42 121.76 115.57 1pi4 s ALA 143 Ca 0.18 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 1pi4 s ALA 143 Cb 0.02 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.80 1pi4 s ALA 143 CO 0.02 -1.81 1.44 -2.14 0.00 0.00 0.00 175.76 173.27 1pi4 s PRO 144 N -4.95 4.22 -0.70 0.00 0.02 -1.26 -3.46 135.00 128.87 1pi4 s PRO 144 Ca 0.61 2.41 0.00 0.00 0.02 0.00 0.00 61.00 64.04 1pi4 s PRO 144 Cb -0.17 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1pi4 s PRO 144 CO 0.56 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 177.21 1pi4 n GLY 145 N 1.23 0.30 0.00 0.52 0.00 0.39 -4.92 105.19 102.71 1pi4 n GLY 145 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1pi4 n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pi4 n THR 146 N -3.67 0.00 -4.11 2.61 -2.24 -1.22 -4.88 114.28 100.76 1pi4 n THR 146 Ca -0.09 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.54 1pi4 n THR 146 Cb 0.48 -0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 67.71 1pi4 n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1pi4 s GLN 147 N -1.94 0.38 -0.25 -0.78 -1.52 -1.26 -1.94 119.66 112.34 1pi4 s GLN 147 Ca 0.00 -0.15 -0.13 0.00 -1.95 0.00 0.00 55.36 53.13 1pi4 s GLN 147 Cb 0.00 -0.37 -0.04 0.00 -0.22 0.00 0.00 33.01 32.37 1pi4 s GLN 147 CO 0.00 0.08 0.29 0.50 -0.25 0.00 0.00 175.29 175.91 1pi4 s ARG 148 N -0.02 4.04 -0.25 2.91 3.52 0.14 -4.23 118.95 125.06 1pi4 s ARG 148 Ca 0.01 -0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.51 1pi4 s ARG 148 Cb -0.03 -3.61 0.08 0.00 -1.56 0.00 0.00 34.95 29.83 1pi4 s ARG 148 CO -0.00 -0.14 0.05 -1.17 -0.81 0.00 0.00 175.30 173.22 1pi4 s LEU 149 N 1.65 1.95 0.19 -0.88 2.96 -0.23 -1.73 118.68 122.60 1pi4 s LEU 149 Ca 0.12 -1.26 -0.32 0.00 -0.22 0.00 0.00 54.13 52.45 1pi4 s LEU 149 Cb -0.15 -0.83 -0.15 0.00 0.50 0.00 0.00 46.19 45.56 1pi4 s LEU 149 CO 0.09 -0.34 1.29 0.00 -1.32 0.00 0.00 176.35 176.06 1pi4 n TYR 150 N 4.88 1.69 -3.64 5.38 4.19 -1.26 -4.78 117.16 123.62 1pi4 n TYR 150 Ca -0.06 0.56 -0.05 0.00 3.31 0.00 0.00 57.90 61.65 1pi4 n TYR 150 Cb 0.44 -2.37 -0.07 0.00 0.49 0.00 0.00 39.34 37.84 1pi4 n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1pi4 s ALA 151 N -0.04 -2.01 0.33 2.98 0.00 -1.26 -4.35 121.76 117.42 1pi4 s ALA 151 Ca 0.72 2.36 0.05 0.00 0.00 0.00 0.00 51.96 55.10 1pi4 s ALA 151 Cb -0.77 -1.53 0.59 0.00 0.00 0.00 0.00 23.12 21.41 1pi4 s ALA 151 CO 0.50 -0.41 1.84 -0.91 0.00 0.00 0.00 175.76 176.77 1pi4 h ASN 152 N 6.82 0.40 0.84 0.00 2.35 -1.08 -2.73 115.58 122.19 1pi4 h ASN 152 Ca -0.29 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1pi4 h ASN 152 Cb 1.21 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1pi4 h ASN 152 CO 0.16 0.56 0.00 -1.54 -1.65 0.00 0.00 177.43 174.97 1pi4 n SER 153 N -4.22 0.46 -0.03 5.81 3.41 -1.21 -0.70 113.62 117.13 1pi4 n SER 153 Ca 0.00 0.59 -0.02 0.00 -0.26 0.00 0.00 58.87 59.18 1pi4 n SER 153 Cb 0.31 -0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 63.55 1pi4 n SER 153 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1pi4 n SER 154 N -1.98 0.80 0.23 4.04 2.88 -1.04 -3.69 113.62 114.85 1pi4 n SER 154 Ca 0.04 0.36 0.09 0.00 -1.33 0.00 0.00 58.87 58.02 1pi4 n SER 154 Cb 0.26 -0.65 0.55 0.00 -0.75 0.00 0.00 64.21 63.63 1pi4 n SER 154 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1pi4 h ILE 155 N -0.43 0.78 -0.59 2.46 2.10 -1.33 -1.94 117.51 118.55 1pi4 h ILE 155 Ca 0.00 -0.89 -0.03 0.00 1.08 0.00 0.00 64.86 65.01 1pi4 h ILE 155 Cb 0.27 1.55 -0.03 0.00 -1.09 0.00 0.00 36.82 37.52 1pi4 h ILE 155 CO 0.00 0.22 0.25 1.23 -1.08 0.00 0.00 178.15 178.76 1pi4 h GLY 156 N 1.21 0.95 1.08 8.18 0.00 -1.13 -0.70 103.07 112.66 1pi4 h GLY 156 Ca -0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 1pi4 h GLY 156 CO 0.03 0.48 -0.08 -2.00 0.00 0.00 0.00 176.54 174.97 1pi4 h LEU 157 N 0.82 1.02 -0.47 3.11 5.85 -1.52 -2.22 115.31 121.90 1pi4 h LEU 157 Ca 0.20 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1pi4 h LEU 157 Cb 0.19 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1pi4 h LEU 157 CO -0.02 1.12 0.11 0.15 -0.34 0.00 0.00 178.44 179.47 1pi4 h PHE 158 N 0.90 0.19 -0.65 1.25 3.57 -0.97 -0.42 116.94 120.80 1pi4 h PHE 158 Ca 0.15 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1pi4 h PHE 158 Cb 0.65 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1pi4 h PHE 158 CO 0.05 0.03 0.38 0.78 -2.23 0.00 0.00 178.31 177.31 1pi4 h GLY 159 N 0.26 0.97 1.06 2.40 0.00 -0.84 0.11 103.07 107.02 1pi4 h GLY 159 Ca 0.23 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1pi4 h GLY 159 CO -0.28 0.41 0.20 0.00 0.00 0.00 0.00 176.54 176.87 1pi4 h ALA 160 N 1.19 0.96 0.02 3.60 0.00 -0.89 -3.00 119.26 121.14 1pi4 h ALA 160 Ca 0.23 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1pi4 h ALA 160 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1pi4 h ALA 160 CO -0.04 0.67 -0.93 -0.07 0.00 0.00 0.00 179.25 178.87 1pi4 h LEU 161 N 1.10 0.12 -1.98 0.00 3.38 -0.80 -3.29 115.31 113.84 1pi4 h LEU 161 Ca 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1pi4 h LEU 161 Cb 0.34 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1pi4 h LEU 161 CO -0.00 0.99 -0.05 0.00 0.09 0.00 0.00 178.44 179.46 1pi4 h ALA 162 N 1.00 1.81 -0.01 1.53 0.00 -0.64 -1.96 119.26 120.99 1pi4 h ALA 162 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pi4 h ALA 162 Cb 1.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1pi4 h ALA 162 CO 0.13 0.06 -0.32 1.33 0.00 0.00 0.00 179.25 180.46 1pi4 n VAL 163 N -4.32 0.00 -0.18 0.00 0.24 -1.21 -4.46 118.33 108.40 1pi4 n VAL 163 Ca -0.03 -0.14 -0.06 0.00 -2.04 0.00 0.00 64.34 62.06 1pi4 n VAL 163 Cb 0.13 0.55 0.03 0.00 -1.47 0.00 0.00 33.84 33.09 1pi4 n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1pi4 h LYS 164 N 1.36 0.67 -0.49 7.34 1.79 -1.45 -2.62 116.57 123.17 1pi4 h LYS 164 Ca 0.00 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.48 1pi4 h LYS 164 Cb 0.55 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 1pi4 h LYS 164 CO 0.00 0.44 0.32 -1.35 -1.08 0.00 0.00 179.45 177.78 1pi4 h PRO 165 N 0.69 0.46 0.00 3.15 0.11 -1.78 -1.37 132.00 133.27 1pi4 h PRO 165 Ca 0.20 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1pi4 h PRO 165 Cb -0.05 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 1pi4 h PRO 165 CO -0.06 0.31 -0.11 0.66 -0.21 0.00 0.00 178.00 178.59 1pi4 h SER 166 N 0.48 0.00 0.00 -2.05 4.64 -1.76 -3.46 113.55 111.39 1pi4 h SER 166 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1pi4 h SER 166 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1pi4 h SER 166 CO -0.05 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 1pi4 n GLY 167 N -0.11 2.29 3.87 -0.77 0.00 -0.52 -5.02 105.19 104.94 1pi4 n GLY 167 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1pi4 n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pi4 s LEU 168 N 0.00 3.80 0.81 0.99 1.43 -1.25 -5.05 118.68 119.41 1pi4 s LEU 168 Ca 0.00 1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 1pi4 s LEU 168 Cb 0.00 -4.13 0.08 0.00 0.03 0.00 0.00 46.19 42.17 1pi4 s LEU 168 CO 0.00 -0.43 1.10 -0.94 0.23 0.00 0.00 176.35 176.31 1pi4 s SER 169 N -3.07 4.11 0.21 2.29 1.04 -1.26 -4.71 113.70 112.32 1pi4 s SER 169 Ca 0.53 1.80 -0.10 0.00 0.48 0.00 0.00 55.95 58.67 1pi4 s SER 169 Cb -0.10 -2.46 0.20 0.00 0.10 0.00 0.00 66.02 63.75 1pi4 s SER 169 CO 0.30 -2.28 1.85 0.15 0.98 0.00 0.00 173.24 174.24 1pi4 h PHE 170 N -1.30 0.85 -0.48 5.02 3.57 -1.93 0.58 116.94 123.24 1pi4 h PHE 170 Ca -0.45 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.01 1pi4 h PHE 170 Cb 1.25 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1pi4 h PHE 170 CO 0.54 0.48 0.04 1.49 -2.23 0.00 0.00 178.31 178.64 1pi4 h GLU 171 N 0.89 0.82 -0.20 1.11 4.81 -1.99 -0.68 114.58 119.33 1pi4 h GLU 171 Ca 0.29 -0.24 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1pi4 h GLU 171 Cb 0.02 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1pi4 h GLU 171 CO -0.11 0.85 -0.38 1.96 -0.73 0.00 0.00 179.01 180.60 1pi4 h GLN 172 N 0.69 0.45 -0.25 1.92 1.08 -1.84 -0.04 115.11 117.12 1pi4 h GLN 172 Ca 0.14 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 1pi4 h GLN 172 Cb 0.45 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1pi4 h GLN 172 CO 0.02 0.77 0.01 0.00 -0.95 0.00 0.00 178.83 178.68 1pi4 h ALA 173 N 1.21 0.33 -0.32 3.87 0.00 -0.73 -1.92 119.26 121.71 1pi4 h ALA 173 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1pi4 h ALA 173 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1pi4 h ALA 173 CO 0.07 0.05 0.15 1.98 0.00 0.00 0.00 179.25 181.50 1pi4 h MET 174 N 0.22 0.47 -0.27 0.00 1.85 -0.90 0.58 114.93 116.88 1pi4 h MET 174 Ca 0.07 -0.07 -0.03 0.00 -0.61 0.00 0.00 59.70 59.05 1pi4 h MET 174 Cb 0.39 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 1pi4 h MET 174 CO 0.01 0.45 0.04 0.37 -0.40 0.00 0.00 176.91 177.37 1pi4 h GLN 175 N 0.38 0.46 0.00 0.39 4.15 -1.03 -0.90 115.11 118.55 1pi4 h GLN 175 Ca 0.11 -0.13 -0.15 0.00 0.77 0.00 0.00 58.65 59.25 1pi4 h GLN 175 Cb 0.14 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1pi4 h GLN 175 CO -0.01 0.58 -0.72 1.79 -1.93 0.00 0.00 178.83 178.54 1pi4 h THR 176 N 0.27 1.28 0.00 2.39 1.35 -1.27 -0.31 112.91 116.62 1pi4 h THR 176 Ca 0.08 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 1pi4 h THR 176 Cb 0.35 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1pi4 h THR 176 CO 0.01 0.71 -1.69 0.54 -0.25 0.00 0.00 175.52 174.83 1pi4 n ARG 177 N -3.34 0.55 0.07 4.72 1.74 0.19 -4.47 116.66 116.12 1pi4 n ARG 177 Ca 0.01 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1pi4 n ARG 177 Cb 0.80 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 1pi4 n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1pi4 n VAL 178 N -2.03 0.75 0.03 1.55 0.31 -0.46 -4.72 118.33 113.75 1pi4 n VAL 178 Ca -0.02 0.25 -0.12 0.00 -0.01 0.00 0.00 64.34 64.44 1pi4 n VAL 178 Cb 0.48 -1.24 -0.08 0.00 -0.91 0.00 0.00 33.84 32.10 1pi4 n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1pi4 h PHE 179 N 0.00 -0.00 -0.25 3.52 0.04 -1.25 -2.96 116.94 116.04 1pi4 h PHE 179 Ca 0.00 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1pi4 h PHE 179 Cb 0.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1pi4 h PHE 179 CO 0.00 0.09 0.01 1.96 -0.60 0.00 0.00 178.31 179.77 1pi4 h GLN 180 N -0.09 0.43 -0.04 1.51 4.20 -1.29 0.30 115.11 120.13 1pi4 h GLN 180 Ca -0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1pi4 h GLN 180 Cb 0.09 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1pi4 h GLN 180 CO 0.00 0.59 -0.04 -1.35 -0.67 0.00 0.00 178.83 177.37 1pi4 h PRO 181 N 0.21 0.06 -0.14 1.46 0.11 -1.78 -0.84 132.00 131.08 1pi4 h PRO 181 Ca 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1pi4 h PRO 181 Cb 0.39 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1pi4 h PRO 181 CO 0.01 0.10 0.00 1.28 -0.21 0.00 0.00 178.00 179.18 1pi4 n LEU 182 N -4.46 1.84 -3.31 2.35 4.77 -1.11 -4.94 117.00 112.14 1pi4 n LEU 182 Ca -0.02 -0.73 -0.21 0.00 -0.03 0.00 0.00 56.01 55.02 1pi4 n LEU 182 Cb 0.14 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1pi4 n LEU 182 CO 0.35 0.36 0.22 0.29 -1.33 0.00 0.00 177.39 177.28 1pi4 n LYS 183 N 0.44 -7.18 -3.06 3.23 5.02 -0.32 -4.91 118.16 111.38 1pi4 n LYS 183 Ca 0.17 0.76 -0.44 0.00 -2.02 0.00 0.00 58.31 56.77 1pi4 n LYS 183 Cb 0.37 -5.59 -0.01 0.00 -0.02 0.00 0.00 35.03 29.79 1pi4 n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pi4 s LEU 184 N -6.68 5.48 0.00 -0.35 1.43 0.01 -4.82 118.68 113.75 1pi4 s LEU 184 Ca 0.49 -2.87 0.25 0.00 -1.03 0.00 0.00 54.13 50.96 1pi4 s LEU 184 Cb -0.21 -2.34 1.10 0.00 0.03 0.00 0.00 46.19 44.76 1pi4 s LEU 184 CO 0.67 -0.71 1.75 0.59 0.23 0.00 0.00 176.35 178.88 1pi4 n ASN 185 N 5.10 1.07 -2.51 2.29 3.02 -1.26 -3.56 115.26 119.40 1pi4 n ASN 185 Ca 0.29 -1.48 -0.03 0.00 -0.03 0.00 0.00 54.58 53.33 1pi4 n ASN 185 Cb 0.44 -0.04 0.05 0.00 -0.61 0.00 0.00 39.78 39.62 1pi4 n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1pi4 n HIS 186 N -0.12 1.31 -4.88 3.10 8.25 -1.26 -5.05 115.22 116.56 1pi4 n HIS 186 Ca 0.18 -1.95 -0.28 0.00 -0.26 0.00 0.00 57.72 55.41 1pi4 n HIS 186 Cb 0.26 -0.24 -0.17 0.00 1.12 0.00 0.00 29.99 30.97 1pi4 n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1pi4 s THR 187 N -3.48 1.55 -0.03 1.59 2.01 -1.23 -3.73 115.64 112.32 1pi4 s THR 187 Ca 0.32 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.47 1pi4 s THR 187 Cb 0.34 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 71.50 1pi4 s THR 187 CO -0.04 0.45 0.25 0.26 -0.69 0.00 0.00 174.62 174.84 1pi4 s TRP 188 N 0.43 -0.13 -0.10 4.92 0.52 -0.26 -5.00 118.94 119.32 1pi4 s TRP 188 Ca -0.15 0.23 -0.14 0.00 0.02 0.00 0.00 56.10 56.07 1pi4 s TRP 188 Cb -0.16 0.05 -0.28 0.00 -1.15 0.00 0.00 33.47 31.94 1pi4 s TRP 188 CO 0.06 -0.31 0.54 0.82 0.02 0.00 0.00 176.95 178.08 1pi4 h ILE 189 N 4.16 0.94 -3.65 2.03 2.04 -1.85 0.16 117.51 121.35 1pi4 h ILE 189 Ca -0.29 -2.41 -0.67 0.00 1.00 0.00 0.00 64.86 62.48 1pi4 h ILE 189 Cb 1.18 2.68 -0.34 0.00 -0.74 0.00 0.00 36.82 39.60 1pi4 h ILE 189 CO 0.39 0.76 -0.77 0.20 0.00 0.00 0.00 178.15 178.73 1pi4 s ASN 190 N -7.09 4.38 -0.02 1.72 0.01 -1.26 -4.78 114.94 107.89 1pi4 s ASN 190 Ca -0.20 -1.12 -0.30 0.00 -0.71 0.00 0.00 52.86 50.53 1pi4 s ASN 190 Cb 0.05 -1.62 -0.06 0.00 0.41 0.00 0.00 41.25 40.04 1pi4 s ASN 190 CO 0.78 -0.17 1.50 -0.69 -1.51 0.00 0.00 177.10 177.01 1pi4 s VAL 191 N 1.23 3.61 0.72 1.60 1.01 -1.26 -5.00 120.40 122.31 1pi4 s VAL 191 Ca -0.04 0.92 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 1pi4 s VAL 191 Cb -0.18 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.63 1pi4 s VAL 191 CO -0.05 -0.03 1.09 -2.16 0.00 0.00 0.00 175.10 173.95 1pi4 s PRO 192 N 2.99 2.70 0.32 2.72 0.04 -1.26 -4.88 135.00 137.64 1pi4 s PRO 192 Ca 0.67 0.57 0.07 0.00 0.04 0.00 0.00 61.00 62.35 1pi4 s PRO 192 Cb -0.32 -1.99 0.75 0.00 0.04 0.00 0.00 34.50 32.97 1pi4 s PRO 192 CO 0.27 -1.17 1.81 -1.35 0.04 0.00 0.00 177.00 176.60 1pi4 h PRO 193 N -0.76 0.75 0.00 0.56 0.11 -2.02 -0.42 132.00 130.23 1pi4 h PRO 193 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pi4 h PRO 193 Cb 1.25 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1pi4 h PRO 193 CO 0.62 0.50 -0.02 0.00 -0.21 0.00 0.00 178.00 178.89 1pi4 h ALA 194 N 1.61 1.23 -0.02 -0.75 0.00 -2.03 -2.04 119.26 117.27 1pi4 h ALA 194 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1pi4 h ALA 194 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1pi4 h ALA 194 CO -0.31 0.02 -0.41 0.39 0.00 0.00 0.00 179.25 178.94 1pi4 n GLU 195 N -3.44 1.39 -0.22 0.00 -0.58 -0.19 -4.50 120.64 113.10 1pi4 n GLU 195 Ca -0.03 -1.02 0.09 0.00 -0.42 0.00 0.00 57.16 55.78 1pi4 n GLU 195 Cb 0.11 -1.43 0.37 0.00 -0.57 0.00 0.00 31.44 29.92 1pi4 n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1pi4 h GLU 196 N 2.44 0.69 0.00 3.49 5.08 -1.14 -0.33 114.58 124.81 1pi4 h GLU 196 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pi4 h GLU 196 Cb 0.72 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1pi4 h GLU 196 CO 0.00 0.46 0.00 1.57 -1.00 0.00 0.00 179.01 180.04 1pi4 h LYS 197 N 0.71 0.00 -0.02 2.33 2.10 -1.79 -2.23 116.57 117.67 1pi4 h LYS 197 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1pi4 h LYS 197 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1pi4 h LYS 197 CO -0.14 0.00 -0.32 0.09 -2.00 0.00 0.00 179.45 177.08 1pi4 n ASN 198 N -2.94 2.13 -4.57 7.07 5.03 -0.18 -4.91 115.26 116.89 1pi4 n ASN 198 Ca -0.01 -1.56 -0.43 0.00 0.87 0.00 0.00 54.58 53.45 1pi4 n ASN 198 Cb 0.20 0.36 -0.04 0.00 -1.02 0.00 0.00 39.78 39.28 1pi4 n ASN 198 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1pi4 s TYR 199 N -2.16 2.96 0.71 3.10 6.04 -0.84 -0.28 117.35 126.87 1pi4 s TYR 199 Ca 0.19 0.46 -0.16 0.00 0.04 0.00 0.00 57.07 57.60 1pi4 s TYR 199 Cb 0.17 -3.89 0.03 0.00 -1.04 0.00 0.00 41.96 37.23 1pi4 s TYR 199 CO 0.45 -1.04 1.22 0.00 -1.54 0.00 0.00 175.55 174.65 1pi4 s ALA 200 N 3.67 2.18 0.22 3.97 0.00 -0.16 -4.92 121.76 126.73 1pi4 s ALA 200 Ca 0.37 0.95 -0.19 0.00 0.00 0.00 0.00 51.96 53.08 1pi4 s ALA 200 Cb -0.11 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 1pi4 s ALA 200 CO 0.25 -1.80 0.71 -1.58 0.00 0.00 0.00 175.76 173.34 1pi4 s TRP 201 N -1.86 3.63 0.45 0.00 0.52 -0.27 -4.91 118.94 116.50 1pi4 s TRP 201 Ca 0.76 1.36 -0.03 0.00 0.02 0.00 0.00 56.10 58.20 1pi4 s TRP 201 Cb -0.31 -2.60 -0.03 0.00 -1.15 0.00 0.00 33.47 29.38 1pi4 s TRP 201 CO 0.44 0.33 0.72 0.20 0.02 0.00 0.00 176.95 178.65 1pi4 s GLY 202 N -1.69 1.46 -0.10 0.98 0.00 0.01 -4.82 107.32 103.15 1pi4 s GLY 202 Ca 0.43 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1pi4 s GLY 202 CO 0.21 -0.50 -0.09 -0.19 0.00 0.00 0.00 173.10 172.53 1pi4 s TYR 203 N -2.62 1.44 -0.11 1.90 1.51 -0.60 -0.22 117.35 118.64 1pi4 s TYR 203 Ca 0.45 -0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1pi4 s TYR 203 Cb -0.10 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1pi4 s TYR 203 CO 0.42 -0.44 -0.07 0.50 -1.11 0.00 0.00 175.55 174.85 1pi4 s ARG 204 N 1.42 1.44 -1.46 -0.62 3.52 -0.54 -4.43 118.95 118.28 1pi4 s ARG 204 Ca -0.00 -0.24 -0.10 0.00 -0.13 0.00 0.00 55.73 55.25 1pi4 s ARG 204 Cb -0.13 -1.57 0.05 0.00 -1.56 0.00 0.00 34.95 31.74 1pi4 s ARG 204 CO -0.05 -0.28 0.86 0.39 -0.81 0.00 0.00 175.30 175.40 1pi4 n GLU 205 N 4.96 -5.57 -0.78 5.12 -0.58 -1.26 -1.44 120.64 121.09 1pi4 n GLU 205 Ca -0.12 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 1pi4 n GLU 205 Cb 0.50 -5.60 0.00 0.00 -0.57 0.00 0.00 31.44 25.77 1pi4 n GLU 205 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pi4 n GLY 206 N -1.64 0.82 3.88 0.62 0.00 -1.26 -5.00 105.19 102.61 1pi4 n GLY 206 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1pi4 n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pi4 s LYS 207 N -0.27 3.48 -0.08 1.61 1.02 -0.52 -5.04 119.74 119.94 1pi4 s LYS 207 Ca 0.00 -0.12 -0.30 0.00 0.02 0.00 0.00 55.97 55.57 1pi4 s LYS 207 Cb 0.00 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 1pi4 s LYS 207 CO 0.00 0.75 1.27 0.00 -0.92 0.00 0.00 175.35 176.45 1pi4 s ALA 208 N -1.09 3.56 0.02 5.17 0.00 -1.26 -1.47 121.76 126.70 1pi4 s ALA 208 Ca 0.18 0.63 -0.04 0.00 0.00 0.00 0.00 51.96 52.74 1pi4 s ALA 208 Cb -0.12 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 1pi4 s ALA 208 CO 0.07 -0.93 0.05 0.14 0.00 0.00 0.00 175.76 175.09 1pi4 s VAL 209 N 2.68 0.12 0.19 0.00 -7.23 0.69 -4.93 120.40 111.91 1pi4 s VAL 209 Ca 0.58 -0.96 0.09 0.00 -1.81 0.00 0.00 61.98 59.88 1pi4 s VAL 209 Cb -0.25 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 1pi4 s VAL 209 CO 0.21 -0.53 -0.19 -1.00 -0.31 0.00 0.00 175.10 173.28 1pi4 s HIS 210 N -1.91 1.95 0.40 2.82 3.76 -1.26 -0.81 115.29 120.24 1pi4 s HIS 210 Ca -0.11 -0.44 -0.27 0.00 -0.15 0.00 0.00 55.06 54.08 1pi4 s HIS 210 Cb -0.06 -0.95 -0.10 0.00 1.11 0.00 0.00 32.58 32.58 1pi4 s HIS 210 CO -0.02 0.40 1.48 1.55 -0.85 0.00 0.00 174.74 177.30 1pi4 n VAL 211 N 0.13 2.22 -3.24 -0.90 3.14 -1.26 -5.00 118.33 113.43 1pi4 n VAL 211 Ca -0.12 -0.50 -0.28 0.00 -2.96 0.00 0.00 64.34 60.48 1pi4 n VAL 211 Cb 0.57 -1.94 -0.03 0.00 -1.06 0.00 0.00 33.84 31.38 1pi4 n VAL 211 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1pi4 s SER 212 N -0.22 6.42 0.47 6.55 0.01 -1.26 -5.05 113.70 120.62 1pi4 s SER 212 Ca 0.55 0.75 -0.24 0.00 1.31 0.00 0.00 55.95 58.32 1pi4 s SER 212 Cb -0.47 -2.16 -0.07 0.00 0.21 0.00 0.00 66.02 63.53 1pi4 s SER 212 CO 0.62 -0.26 1.34 -2.16 0.41 0.00 0.00 173.24 173.19 1pi4 s PRO 213 N -3.76 3.57 0.15 12.44 0.04 -1.26 -5.01 135.00 141.16 1pi4 s PRO 213 Ca 0.45 2.21 -0.19 0.00 0.04 0.00 0.00 61.00 63.50 1pi4 s PRO 213 Cb -0.10 -2.51 0.05 0.00 0.04 0.00 0.00 34.50 31.98 1pi4 s PRO 213 CO 0.32 -0.84 0.50 0.20 0.04 0.00 0.00 177.00 177.22 1pi4 s GLY 214 N -0.82 -0.42 0.29 0.56 0.00 -1.26 -5.08 107.32 100.58 1pi4 s GLY 214 Ca 0.64 0.19 -0.30 0.00 0.00 0.00 0.00 44.72 45.25 1pi4 s GLY 214 CO 0.49 -0.09 1.49 0.00 0.00 0.00 0.00 173.10 174.99 1pi4 s ALA 215 N -3.78 3.65 -1.98 3.20 0.00 -1.26 -2.04 121.76 119.55 1pi4 s ALA 215 Ca 0.02 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1pi4 s ALA 215 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1pi4 s ALA 215 CO -0.12 -0.86 0.00 1.28 0.00 0.00 0.00 175.76 176.06 1pi4 n LEU 216 N 1.88 -1.62 -0.11 0.00 4.77 -1.26 -4.88 117.00 115.77 1pi4 n LEU 216 Ca 0.06 0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 56.26 1pi4 n LEU 216 Cb 0.39 -2.82 -0.01 0.00 -2.33 0.00 0.00 43.42 38.65 1pi4 n LEU 216 CO 0.62 -0.73 0.95 -2.24 -1.33 0.00 0.00 177.39 174.66 1pi4 h ASP 217 N 0.00 0.46 -0.78 -1.43 3.04 -1.83 -1.46 116.42 114.42 1pi4 h ASP 217 Ca -0.44 -0.11 0.04 0.00 -3.24 0.00 0.00 57.03 53.29 1pi4 h ASP 217 Cb 1.33 -0.12 -0.05 0.00 -1.04 0.00 0.00 39.33 39.45 1pi4 h ASP 217 CO 0.59 0.44 0.48 0.00 -2.04 0.00 0.00 179.24 178.71 1pi4 h ALA 218 N 1.04 1.04 -0.03 4.15 0.00 -1.89 0.19 119.26 123.76 1pi4 h ALA 218 Ca 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1pi4 h ALA 218 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1pi4 h ALA 218 CO -0.02 0.25 -0.71 0.93 0.00 0.00 0.00 179.25 179.70 1pi4 h GLU 219 N 0.92 0.17 0.00 0.00 3.07 -1.84 -3.21 114.58 113.68 1pi4 h GLU 219 Ca 0.32 -0.14 -0.24 0.00 -0.50 0.00 0.00 59.36 58.81 1pi4 h GLU 219 Cb 0.08 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.98 1pi4 h GLU 219 CO -0.14 0.81 -2.06 0.00 -1.40 0.00 0.00 179.01 176.23 1pi4 n ALA 220 N -2.45 1.82 -1.93 3.43 0.00 -0.57 -4.56 120.51 116.25 1pi4 n ALA 220 Ca -0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 53.44 52.43 1pi4 n ALA 220 Cb 0.69 -0.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 1pi4 n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1pi4 n TYR 221 N -2.50 0.00 -0.54 0.00 0.18 0.13 -4.21 117.16 110.21 1pi4 n TYR 221 Ca -0.22 -0.30 0.08 0.00 1.88 0.00 0.00 57.90 59.34 1pi4 n TYR 221 Cb 0.91 0.40 0.26 0.00 -0.38 0.00 0.00 39.34 40.53 1pi4 n TYR 221 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1pi4 n GLY 222 N 0.00 3.07 3.82 -7.48 0.00 0.43 -3.76 105.19 101.28 1pi4 n GLY 222 Ca -0.17 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 1pi4 n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pi4 s VAL 223 N -1.75 4.84 -0.04 1.61 1.01 -1.26 -4.40 120.40 120.41 1pi4 s VAL 223 Ca 0.39 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.47 1pi4 s VAL 223 Cb 0.25 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1pi4 s VAL 223 CO 0.18 0.49 -0.24 -0.54 0.00 0.00 0.00 175.10 174.99 1pi4 s LYS 224 N -1.30 2.39 0.22 2.72 3.01 0.56 -1.29 119.74 126.05 1pi4 s LYS 224 Ca 0.30 -0.88 -0.16 0.00 -1.01 0.00 0.00 55.97 54.22 1pi4 s LYS 224 Cb -0.18 -2.16 0.01 0.00 -1.01 0.00 0.00 37.83 34.50 1pi4 s LYS 224 CO 0.18 0.48 0.51 0.45 0.51 0.00 0.00 175.35 177.48 1pi4 s SER 225 N -0.41 -0.18 0.41 2.83 0.15 -0.57 -1.10 113.70 114.83 1pi4 s SER 225 Ca 0.04 -0.67 0.05 0.00 0.70 0.00 0.00 55.95 56.07 1pi4 s SER 225 Cb -0.12 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1pi4 s SER 225 CO 0.01 -1.10 0.58 0.42 1.20 0.00 0.00 173.24 174.35 1pi4 s THR 226 N -3.93 3.50 0.36 6.45 -4.23 -1.24 -0.83 115.64 115.71 1pi4 s THR 226 Ca 0.14 -0.88 0.12 0.00 -1.18 0.00 0.00 61.69 59.90 1pi4 s THR 226 Cb -0.01 -3.22 0.08 0.00 1.34 0.00 0.00 72.50 70.69 1pi4 s THR 226 CO 0.02 -0.11 1.80 -0.29 -0.54 0.00 0.00 174.62 175.51 1pi4 h ILE 227 N 0.62 1.28 -0.19 2.99 6.09 -1.72 -0.46 117.51 126.12 1pi4 h ILE 227 Ca -0.43 -1.36 -0.06 0.00 -1.37 0.00 0.00 64.86 61.64 1pi4 h ILE 227 Cb 1.27 1.73 -0.00 0.00 0.47 0.00 0.00 36.82 40.28 1pi4 h ILE 227 CO 0.51 0.39 -0.11 -0.08 -3.07 0.00 0.00 178.15 175.79 1pi4 h GLU 228 N 0.00 0.41 -0.48 2.19 4.81 -1.94 -0.95 114.58 118.62 1pi4 h GLU 228 Ca -0.00 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 1pi4 h GLU 228 Cb 0.70 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1pi4 h GLU 228 CO 0.05 0.72 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.56 1pi4 h ASP 229 N 0.10 0.83 0.01 1.04 3.45 -1.83 -1.97 116.42 118.05 1pi4 h ASP 229 Ca 0.04 -0.23 -0.09 0.00 0.43 0.00 0.00 57.03 57.18 1pi4 h ASP 229 Cb 0.61 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 1pi4 h ASP 229 CO 0.03 0.92 -0.26 0.24 -1.57 0.00 0.00 179.24 178.61 1pi4 h MET 230 N 0.78 0.40 -0.73 3.56 2.86 -1.00 0.45 114.93 121.24 1pi4 h MET 230 Ca 0.14 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1pi4 h MET 230 Cb 0.54 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1pi4 h MET 230 CO 0.03 0.63 0.33 0.00 1.06 0.00 0.00 176.91 178.96 1pi4 h ALA 231 N 1.38 0.95 -0.70 6.32 0.00 -0.77 -0.59 119.26 125.85 1pi4 h ALA 231 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1pi4 h ALA 231 Cb 0.64 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1pi4 h ALA 231 CO 0.05 0.54 0.30 0.00 0.00 0.00 0.00 179.25 180.13 1pi4 h ARG 232 N 1.04 1.03 -0.51 0.00 3.08 -0.63 -0.38 114.38 118.01 1pi4 h ARG 232 Ca 0.25 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1pi4 h ARG 232 Cb 0.16 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1pi4 h ARG 232 CO -0.03 0.84 0.32 2.35 -1.07 0.00 0.00 179.97 182.39 1pi4 h TRP 233 N 0.99 0.61 -0.51 3.04 -0.00 -0.43 0.23 115.95 119.87 1pi4 h TRP 233 Ca 0.23 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 59.11 1pi4 h TRP 233 Cb 0.18 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.12 1pi4 h TRP 233 CO 0.01 0.37 0.19 0.28 -0.00 0.00 0.00 178.44 179.29 1pi4 h VAL 234 N 0.66 1.22 -0.85 2.65 2.07 -0.78 -1.68 116.25 119.54 1pi4 h VAL 234 Ca 0.20 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1pi4 h VAL 234 Cb -0.03 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1pi4 h VAL 234 CO -0.07 0.27 0.51 -0.61 0.02 0.00 0.00 177.57 177.69 1pi4 h GLN 235 N 0.70 1.15 -0.57 1.57 5.75 -0.45 0.53 115.11 123.79 1pi4 h GLN 235 Ca 0.17 -0.11 -0.06 0.00 -0.15 0.00 0.00 58.65 58.50 1pi4 h GLN 235 Cb 0.23 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1pi4 h GLN 235 CO -0.01 0.81 0.10 0.77 -2.65 0.00 0.00 178.83 177.85 1pi4 h SER 236 N 1.17 0.85 1.24 -0.69 0.02 -0.62 -1.44 113.55 114.09 1pi4 h SER 236 Ca 0.30 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 1pi4 h SER 236 Cb -0.04 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1pi4 h SER 236 CO -0.06 0.86 -0.66 0.78 -1.14 0.00 0.00 176.83 176.62 1pi4 h ASN 237 N 0.86 0.00 -0.00 3.07 2.35 -0.83 -2.85 115.58 118.17 1pi4 h ASN 237 Ca 0.18 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.76 1pi4 h ASN 237 Cb 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1pi4 h ASN 237 CO 0.01 0.66 -0.55 -0.07 -1.65 0.00 0.00 177.43 175.82 1pi4 h LEU 238 N 0.00 0.65 -6.04 1.61 3.38 -0.64 -3.39 115.31 110.88 1pi4 h LEU 238 Ca -0.01 -0.35 -0.57 0.00 0.09 0.00 0.00 57.88 57.05 1pi4 h LEU 238 Cb 1.45 -0.19 -0.39 0.00 0.09 0.00 0.00 40.66 41.62 1pi4 h LEU 238 CO 0.09 1.07 -1.02 1.17 0.09 0.00 0.00 178.44 179.84 1pi4 n LYS 239 N -3.96 1.00 0.29 1.13 4.81 -0.57 -4.80 118.16 116.06 1pi4 n LYS 239 Ca -0.03 -3.46 0.16 0.00 -0.87 0.00 0.00 58.31 54.11 1pi4 n LYS 239 Cb 0.61 -1.39 0.90 0.00 0.02 0.00 0.00 35.03 35.17 1pi4 n LYS 239 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1pi4 h PRO 240 N 4.06 0.00 0.00 1.64 0.13 -1.71 -2.64 132.00 133.48 1pi4 h PRO 240 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1pi4 h PRO 240 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1pi4 h PRO 240 CO 0.52 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.62 1pi4 n LEU 241 N -3.48 0.61 -0.04 1.56 4.77 -1.26 -1.55 117.00 117.60 1pi4 n LEU 241 Ca -0.02 0.69 0.13 0.00 -0.03 0.00 0.00 56.01 56.78 1pi4 n LEU 241 Cb 0.16 -0.65 0.50 0.00 -2.33 0.00 0.00 43.42 41.10 1pi4 n LEU 241 CO 0.26 -0.66 0.77 0.47 -1.33 0.00 0.00 177.39 176.90 1pi4 n ASP 242 N -2.21 0.33 -4.69 -1.43 10.43 -0.99 -4.83 116.55 113.15 1pi4 n ASP 242 Ca 0.01 -0.11 -0.42 0.00 2.57 0.00 0.00 54.79 56.83 1pi4 n ASP 242 Cb 0.17 -0.11 -0.03 0.00 1.84 0.00 0.00 41.12 42.99 1pi4 n ASP 242 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1pi4 s ILE 243 N -2.82 4.80 0.11 0.53 1.01 -0.60 -4.96 121.20 119.29 1pi4 s ILE 243 Ca 0.18 2.04 0.12 0.00 0.00 0.00 0.00 60.65 63.00 1pi4 s ILE 243 Cb 0.19 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1pi4 s ILE 243 CO 0.56 0.04 1.51 0.78 0.00 0.00 0.00 174.94 177.83 1pi4 h ASN 244 N 7.04 0.00 -3.16 3.58 2.35 -1.88 -3.43 115.58 120.08 1pi4 h ASN 244 Ca -0.33 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.85 1pi4 h ASN 244 Cb 1.16 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.48 1pi4 h ASN 244 CO 0.83 0.64 1.08 -1.61 -1.65 0.00 0.00 177.43 176.73 1pi4 s GLU 245 N -3.21 3.61 0.22 0.81 8.01 -1.26 -4.91 118.70 121.97 1pi4 s GLU 245 Ca 0.01 1.09 -0.09 0.00 0.01 0.00 0.00 54.97 55.99 1pi4 s GLU 245 Cb 0.10 -4.02 0.23 0.00 -4.31 0.00 0.00 34.13 26.13 1pi4 s GLU 245 CO 0.76 -1.51 1.85 0.87 0.01 0.00 0.00 175.26 177.23 1pi4 h LYS 246 N 10.73 0.85 0.00 1.61 1.57 -2.00 -0.71 116.57 128.63 1pi4 h LYS 246 Ca -0.28 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.33 1pi4 h LYS 246 Cb 1.11 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1pi4 h LYS 246 CO 1.07 0.57 -0.52 1.79 -0.57 0.00 0.00 179.45 181.78 1pi4 h THR 247 N 0.88 1.21 -0.07 -0.16 1.35 -1.91 -1.46 112.91 112.75 1pi4 h THR 247 Ca 0.31 -1.90 -0.22 0.00 -0.55 0.00 0.00 66.41 64.05 1pi4 h THR 247 Cb 0.07 2.07 0.01 0.00 -1.73 0.00 0.00 68.15 68.58 1pi4 h THR 247 CO -0.13 0.51 -0.83 0.25 -0.25 0.00 0.00 175.52 175.07 1pi4 h LEU 248 N 0.00 0.85 -0.26 3.87 5.85 -1.76 0.11 115.31 123.98 1pi4 h LEU 248 Ca -0.01 -0.69 0.04 0.00 0.84 0.00 0.00 57.88 58.07 1pi4 h LEU 248 Cb 1.03 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1pi4 h LEU 248 CO 0.07 1.41 0.00 -0.61 -0.34 0.00 0.00 178.44 178.97 1pi4 h GLN 249 N 0.36 0.08 -0.69 1.25 4.15 -1.04 -0.32 115.11 118.90 1pi4 h GLN 249 Ca -0.08 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.26 1pi4 h GLN 249 Cb 1.48 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.12 1pi4 h GLN 249 CO 0.17 0.05 0.15 0.37 -1.93 0.00 0.00 178.83 177.64 1pi4 h GLN 250 N 0.08 1.11 -0.86 1.69 4.15 -1.18 -2.45 115.11 117.66 1pi4 h GLN 250 Ca 0.12 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 1pi4 h GLN 250 Cb 0.16 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 1pi4 h GLN 250 CO -0.21 1.00 0.42 0.78 -1.93 0.00 0.00 178.83 178.89 1pi4 h GLY 251 N 1.04 1.32 0.99 2.39 0.00 -0.28 0.44 103.07 108.98 1pi4 h GLY 251 Ca 0.21 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1pi4 h GLY 251 CO 0.01 0.62 0.31 -2.22 0.00 0.00 0.00 176.54 175.26 1pi4 h ILE 252 N 1.22 1.19 -0.56 2.60 2.04 -0.87 -1.62 117.51 121.51 1pi4 h ILE 252 Ca 0.30 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1pi4 h ILE 252 Cb 0.11 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1pi4 h ILE 252 CO -0.04 0.20 0.22 1.56 0.00 0.00 0.00 178.15 180.10 1pi4 h GLN 253 N 0.77 0.84 -0.20 2.37 4.20 -0.92 -2.51 115.11 119.67 1pi4 h GLN 253 Ca 0.20 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1pi4 h GLN 253 Cb 0.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1pi4 h GLN 253 CO -0.03 0.73 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.73 1pi4 h LEU 254 N 0.77 0.28 -1.26 1.46 3.38 -0.61 -2.38 115.31 116.95 1pi4 h LEU 254 Ca 0.19 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1pi4 h LEU 254 Cb 0.20 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pi4 h LEU 254 CO -0.02 0.38 -0.01 0.00 0.09 0.00 0.00 178.44 178.89 1pi4 h ALA 255 N 1.65 1.00 -0.52 1.53 0.00 -0.85 -2.52 119.26 119.56 1pi4 h ALA 255 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pi4 h ALA 255 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pi4 h ALA 255 CO 0.01 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.31 1pi4 n GLN 256 N -3.10 2.59 -1.81 0.00 6.02 -0.91 -0.95 117.38 119.22 1pi4 n GLN 256 Ca 0.01 -2.43 -0.34 0.00 -0.01 0.00 0.00 57.00 54.23 1pi4 n GLN 256 Cb 0.34 -1.54 0.04 0.00 1.02 0.00 0.00 30.24 30.10 1pi4 n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1pi4 s SER 257 N -1.32 5.11 -0.42 1.08 0.01 -0.95 -3.84 113.70 113.37 1pi4 s SER 257 Ca 0.43 2.07 -0.15 0.00 1.31 0.00 0.00 55.95 59.61 1pi4 s SER 257 Cb 0.24 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.94 1pi4 s SER 257 CO 0.33 -1.63 0.33 -0.13 0.41 0.00 0.00 173.24 172.54 1pi4 s ARG 258 N -3.93 2.98 -0.15 12.44 0.52 -0.13 -4.01 118.95 126.67 1pi4 s ARG 258 Ca 0.69 -1.06 0.12 0.00 -0.52 0.00 0.00 55.73 54.95 1pi4 s ARG 258 Cb -0.22 -4.01 -0.23 0.00 0.52 0.00 0.00 34.95 31.01 1pi4 s ARG 258 CO 0.39 -0.81 0.25 0.66 0.02 0.00 0.00 175.30 175.82 1pi4 n TYR 259 N 5.20 0.45 -3.88 -0.53 4.01 -0.71 -2.12 117.16 119.59 1pi4 n TYR 259 Ca -0.11 0.14 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 1pi4 n TYR 259 Cb 0.46 -1.08 -0.09 0.00 -0.31 0.00 0.00 39.34 38.32 1pi4 n TYR 259 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1pi4 s TRP 260 N -2.54 0.08 -0.04 -0.72 0.52 -1.25 -1.90 118.94 113.10 1pi4 s TRP 260 Ca -0.13 -0.26 0.05 0.00 0.02 0.00 0.00 56.10 55.78 1pi4 s TRP 260 Cb 0.07 -0.07 -0.01 0.00 -1.15 0.00 0.00 33.47 32.32 1pi4 s TRP 260 CO 0.79 -0.35 -0.20 -1.14 0.02 0.00 0.00 176.95 176.07 1pi4 s GLN 261 N -2.03 1.94 -0.24 4.98 0.74 -0.49 -1.27 119.66 123.29 1pi4 s GLN 261 Ca -0.10 -0.73 -0.03 0.00 0.05 0.00 0.00 55.36 54.56 1pi4 s GLN 261 Cb -0.04 -1.73 0.08 0.00 1.10 0.00 0.00 33.01 32.42 1pi4 s GLN 261 CO -0.01 0.35 0.07 0.99 -0.55 0.00 0.00 175.29 176.13 1pi4 s THR 262 N -0.19 0.48 0.00 -0.34 2.01 -0.44 -1.28 115.64 115.89 1pi4 s THR 262 Ca 0.00 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1pi4 s THR 262 Cb -0.11 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1pi4 s THR 262 CO 0.02 -0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.12 1pi4 n GLY 263 N 5.04 2.61 1.07 4.40 0.00 -1.26 -1.86 105.19 115.20 1pi4 n GLY 263 Ca -0.06 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1pi4 n GLY 263 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pi4 n ASP 264 N 5.08 3.11 -4.58 1.61 5.75 -1.26 -4.94 116.55 121.33 1pi4 n ASP 264 Ca 0.00 -2.03 -0.24 0.00 -0.01 0.00 0.00 54.79 52.51 1pi4 n ASP 264 Cb 0.00 -0.39 -0.09 0.00 -1.03 0.00 0.00 41.12 39.61 1pi4 n ASP 264 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pi4 s MET 265 N -1.28 2.06 -0.03 0.11 0.23 -0.78 -4.44 119.30 115.18 1pi4 s MET 265 Ca 0.38 -1.47 0.05 0.00 -1.03 0.00 0.00 55.69 53.62 1pi4 s MET 265 Cb 0.20 -2.05 -0.01 0.00 -1.53 0.00 0.00 34.83 31.44 1pi4 s MET 265 CO 0.25 0.37 -0.18 0.71 -2.03 0.00 0.00 175.02 174.15 1pi4 s TYR 266 N -2.20 1.69 -0.22 3.16 1.51 0.74 -1.32 117.35 120.70 1pi4 s TYR 266 Ca 0.29 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.82 1pi4 s TYR 266 Cb -0.07 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1pi4 s TYR 266 CO 0.17 -0.09 0.31 -1.14 -1.11 0.00 0.00 175.55 173.70 1pi4 s GLN 267 N -0.24 4.13 0.00 -0.62 2.00 -0.39 -1.10 119.66 123.43 1pi4 s GLN 267 Ca 0.02 0.02 0.00 0.00 -2.00 0.00 0.00 55.36 53.41 1pi4 s GLN 267 Cb -0.09 -3.55 0.00 0.00 0.80 0.00 0.00 33.01 30.17 1pi4 s GLN 267 CO 0.01 -0.02 0.00 0.41 -0.50 0.00 0.00 175.29 175.18 1pi4 n GLY 268 N 4.11 2.22 3.37 2.59 0.00 0.06 -1.73 105.19 115.80 1pi4 n GLY 268 Ca -0.11 -1.97 -0.45 0.00 0.00 0.00 0.00 46.02 43.49 1pi4 n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pi4 s LEU 269 N 0.00 5.63 0.00 0.99 1.43 -0.12 -4.61 118.68 122.00 1pi4 s LEU 269 Ca 0.00 -1.44 0.00 0.00 -1.03 0.00 0.00 54.13 51.66 1pi4 s LEU 269 Cb 0.00 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1pi4 s LEU 269 CO 0.00 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.30 1pi4 n GLY 270 N 5.24 1.84 3.76 -3.19 0.00 -1.26 -4.29 105.19 107.30 1pi4 n GLY 270 Ca -0.11 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1pi4 n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pi4 s TRP 271 N 0.00 2.54 0.10 1.61 0.52 -1.26 -4.65 118.94 117.79 1pi4 s TRP 271 Ca 0.00 1.54 0.10 0.00 0.02 0.00 0.00 56.10 57.76 1pi4 s TRP 271 Cb 0.00 -3.35 -0.04 0.00 -1.15 0.00 0.00 33.47 28.94 1pi4 s TRP 271 CO 0.00 -1.86 -0.26 -1.21 0.02 0.00 0.00 176.95 173.64 1pi4 s GLU 272 N -3.44 1.50 0.04 4.98 2.02 -1.01 -0.77 118.70 122.01 1pi4 s GLU 272 Ca 0.74 -1.25 0.01 0.00 0.02 0.00 0.00 54.97 54.49 1pi4 s GLU 272 Cb -0.26 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 1pi4 s GLU 272 CO 0.32 0.46 -0.05 -1.64 0.02 0.00 0.00 175.26 174.36 1pi4 s MET 273 N -1.77 0.45 0.06 1.61 -1.94 -0.26 -1.14 119.30 116.31 1pi4 s MET 273 Ca 0.12 -0.76 0.01 0.00 -1.71 0.00 0.00 55.69 53.36 1pi4 s MET 273 Cb -0.10 -0.06 -0.03 0.00 2.01 0.00 0.00 34.83 36.65 1pi4 s MET 273 CO 0.05 -0.01 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.47 1pi4 s LEU 274 N -1.71 2.37 0.33 -0.03 1.02 -0.29 -0.19 118.68 120.17 1pi4 s LEU 274 Ca -0.10 -0.75 -0.29 0.00 0.02 0.00 0.00 54.13 53.01 1pi4 s LEU 274 Cb -0.08 -0.03 -0.10 0.00 0.02 0.00 0.00 46.19 46.00 1pi4 s LEU 274 CO -0.01 -0.36 1.30 -1.81 0.02 0.00 0.00 176.35 175.48 1pi4 s ASP 275 N -2.21 6.80 -0.14 2.29 -0.00 -1.26 -0.49 116.67 121.66 1pi4 s ASP 275 Ca -0.02 2.66 -0.08 0.00 -0.00 0.00 0.00 52.55 55.12 1pi4 s ASP 275 Cb -0.03 -2.65 -0.04 0.00 -0.00 0.00 0.00 42.92 40.20 1pi4 s ASP 275 CO -0.03 -0.51 0.13 0.86 -0.00 0.00 0.00 175.17 175.62 1pi4 s TRP 276 N -1.11 3.54 0.46 4.23 -0.11 -0.39 -3.50 118.94 122.06 1pi4 s TRP 276 Ca 0.49 0.47 -0.22 0.00 1.22 0.00 0.00 56.10 58.06 1pi4 s TRP 276 Cb -0.39 -2.00 -0.08 0.00 -1.50 0.00 0.00 33.47 29.50 1pi4 s TRP 276 CO 0.52 0.60 1.08 -1.25 -4.62 0.00 0.00 176.95 173.29 1pi4 s PRO 277 N -0.62 3.84 0.29 5.86 0.04 -1.26 -4.76 135.00 138.38 1pi4 s PRO 277 Ca 0.13 1.53 0.06 0.00 0.04 0.00 0.00 61.00 62.76 1pi4 s PRO 277 Cb -0.12 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1pi4 s PRO 277 CO 0.02 -0.43 0.36 0.14 0.04 0.00 0.00 177.00 177.13 1pi4 s VAL 278 N -1.76 4.49 -0.35 -0.36 -7.23 -1.23 -5.06 120.40 108.91 1pi4 s VAL 278 Ca 0.64 -1.11 -0.23 0.00 -1.81 0.00 0.00 61.98 59.47 1pi4 s VAL 278 Cb -0.22 -3.54 0.01 0.00 0.56 0.00 0.00 36.38 33.19 1pi4 s VAL 278 CO 0.26 -0.25 0.78 0.21 -0.31 0.00 0.00 175.10 175.79 1pi4 s ASN 279 N -4.03 6.57 0.34 4.85 2.47 -1.26 -4.93 114.94 118.95 1pi4 s ASN 279 Ca 0.38 0.42 0.07 0.00 0.42 0.00 0.00 52.86 54.15 1pi4 s ASN 279 Cb -0.09 -2.40 0.75 0.00 -1.45 0.00 0.00 41.25 38.07 1pi4 s ASN 279 CO 0.29 -0.71 1.87 1.55 -3.72 0.00 0.00 177.10 176.38 1pi4 h PRO 280 N 8.40 0.75 0.00 0.43 0.13 -2.01 -0.89 132.00 138.81 1pi4 h PRO 280 Ca -0.25 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1pi4 h PRO 280 Cb 1.09 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1pi4 h PRO 280 CO 0.90 0.49 -0.14 -0.44 -0.23 0.00 0.00 178.00 178.59 1pi4 h ASP 281 N 0.77 0.00 -0.31 1.44 3.32 -1.99 0.05 116.42 119.70 1pi4 h ASP 281 Ca 0.45 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.42 1pi4 h ASP 281 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1pi4 h ASP 281 CO -0.22 0.14 -0.14 -1.28 -1.72 0.00 0.00 179.24 176.02 1pi4 h SER 282 N 0.00 0.67 0.73 6.45 0.87 -1.57 0.16 113.55 120.86 1pi4 h SER 282 Ca -0.00 -0.40 -0.18 0.00 -1.23 0.00 0.00 61.79 59.98 1pi4 h SER 282 Cb 0.25 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1pi4 h SER 282 CO 0.02 0.92 -0.84 0.16 -0.53 0.00 0.00 176.83 176.56 1pi4 h ILE 283 N 0.41 1.55 0.30 2.23 3.07 -1.40 0.07 117.51 123.74 1pi4 h ILE 283 Ca 0.07 -2.74 -0.01 0.00 1.55 0.00 0.00 64.86 63.73 1pi4 h ILE 283 Cb 0.66 2.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.71 1pi4 h ILE 283 CO 0.04 0.79 -0.15 0.40 -1.05 0.00 0.00 178.15 178.19 1pi4 h ILE 284 N 0.04 0.66 -0.25 0.16 2.04 -0.92 -2.83 117.51 116.40 1pi4 h ILE 284 Ca -0.02 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 1pi4 h ILE 284 Cb 1.47 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1pi4 h ILE 284 CO 0.12 0.12 -0.10 0.78 0.00 0.00 0.00 178.15 179.07 1pi4 h ASN 285 N -0.81 0.39 0.56 1.72 -0.26 -1.05 -2.73 115.58 113.41 1pi4 h ASN 285 Ca -0.04 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1pi4 h ASN 285 Cb 0.51 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1pi4 h ASN 285 CO 0.07 0.54 0.00 1.23 -1.06 0.00 0.00 177.43 178.20 1pi4 h GLY 286 N 0.85 0.00 1.17 2.83 0.00 -0.93 -2.28 103.07 104.71 1pi4 h GLY 286 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1pi4 h GLY 286 CO 0.02 0.00 -0.50 -1.14 0.00 0.00 0.00 176.54 174.92 1pi4 n SER 287 N -2.34 0.54 -4.77 0.19 3.41 -1.03 -3.04 113.62 106.59 1pi4 n SER 287 Ca 0.01 -0.01 -0.38 0.00 -0.26 0.00 0.00 58.87 58.22 1pi4 n SER 287 Cb 0.19 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 1pi4 n SER 287 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pi4 s ASP 288 N -3.53 6.57 0.43 4.04 -1.08 -0.86 -4.67 116.67 117.56 1pi4 s ASP 288 Ca 0.09 2.37 0.16 0.00 -0.52 0.00 0.00 52.55 54.64 1pi4 s ASP 288 Cb 0.16 -2.62 1.05 0.00 -1.46 0.00 0.00 42.92 40.05 1pi4 s ASP 288 CO 0.69 -0.64 1.93 0.00 0.52 0.00 0.00 175.17 177.67 1pi4 h ALA 289 N 2.74 2.11 -0.08 3.66 0.00 -1.89 0.46 119.26 126.25 1pi4 h ALA 289 Ca -0.49 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1pi4 h ALA 289 Cb 1.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pi4 h ALA 289 CO 0.63 -0.30 0.10 1.57 0.00 0.00 0.00 179.25 181.25 1pi4 h LYS 290 N 0.41 0.00 0.00 0.00 2.10 -1.92 -1.68 116.57 115.48 1pi4 h LYS 290 Ca 0.36 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.72 1pi4 h LYS 290 Cb 0.81 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.10 1pi4 h LYS 290 CO -0.11 0.00 -1.92 -0.89 -2.00 0.00 0.00 179.45 174.53 1pi4 n ILE 291 N -3.75 1.14 0.24 0.07 5.41 -0.39 -4.45 119.36 117.63 1pi4 n ILE 291 Ca -0.01 -0.21 0.07 0.00 1.00 0.00 0.00 62.75 63.60 1pi4 n ILE 291 Cb 0.20 -1.82 0.59 0.00 -0.71 0.00 0.00 39.64 37.90 1pi4 n ILE 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pi4 h ALA 292 N -0.71 1.90 -0.41 -1.39 0.00 -0.88 -2.14 119.26 115.62 1pi4 h ALA 292 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1pi4 h ALA 292 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1pi4 h ALA 292 CO -0.27 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.34 1pi4 n LEU 293 N -4.48 3.35 -4.86 0.00 4.77 -0.64 -4.57 117.00 110.57 1pi4 n LEU 293 Ca -0.03 -1.63 -0.34 0.00 -0.03 0.00 0.00 56.01 53.99 1pi4 n LEU 293 Cb 0.13 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1pi4 n LEU 293 CO 0.35 0.76 0.23 0.00 -1.33 0.00 0.00 177.39 177.40 1pi4 s ALA 294 N -1.27 3.57 0.34 -1.18 0.00 -0.81 -4.70 121.76 117.71 1pi4 s ALA 294 Ca 0.36 -0.18 -0.28 0.00 0.00 0.00 0.00 51.96 51.85 1pi4 s ALA 294 Cb 0.20 -2.49 -0.10 0.00 0.00 0.00 0.00 23.12 20.73 1pi4 s ALA 294 CO 0.28 0.47 1.33 0.00 0.00 0.00 0.00 175.76 177.84 1pi4 s ALA 295 N -1.62 3.49 -0.03 0.00 0.00 -1.26 -4.70 121.76 117.64 1pi4 s ALA 295 Ca 0.42 1.30 -0.04 0.00 0.00 0.00 0.00 51.96 53.64 1pi4 s ALA 295 Cb -0.13 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1pi4 s ALA 295 CO 0.20 -0.70 0.10 1.03 0.00 0.00 0.00 175.76 176.39 1pi4 s ARG 296 N -1.86 0.16 0.34 0.00 0.52 -0.71 -4.96 118.95 112.45 1pi4 s ARG 296 Ca 0.50 0.05 -0.28 0.00 -0.52 0.00 0.00 55.73 55.48 1pi4 s ARG 296 Cb -0.40 0.07 -0.10 0.00 0.52 0.00 0.00 34.95 35.04 1pi4 s ARG 296 CO 0.54 -0.03 1.28 -1.25 0.02 0.00 0.00 175.30 175.86 1pi4 s PRO 297 N -0.16 4.33 0.02 3.54 0.04 -1.26 -0.68 135.00 140.83 1pi4 s PRO 297 Ca -0.02 2.15 0.05 0.00 0.04 0.00 0.00 61.00 63.22 1pi4 s PRO 297 Cb -0.02 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 1pi4 s PRO 297 CO 0.00 -0.18 -0.13 0.14 0.04 0.00 0.00 177.00 176.87 1pi4 s VAL 298 N -1.17 3.18 -0.22 -0.36 -7.23 -0.82 -4.64 120.40 109.14 1pi4 s VAL 298 Ca 0.50 -1.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.56 1pi4 s VAL 298 Cb -0.38 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 1pi4 s VAL 298 CO 0.51 0.36 0.18 -0.54 -0.31 0.00 0.00 175.10 175.30 1pi4 s LYS 299 N -1.43 4.11 0.25 4.82 1.02 -0.40 -4.84 119.74 123.27 1pi4 s LYS 299 Ca 0.16 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 1pi4 s LYS 299 Cb -0.11 -3.51 -0.10 0.00 -0.52 0.00 0.00 37.83 33.60 1pi4 s LYS 299 CO 0.06 0.11 1.37 0.00 -0.92 0.00 0.00 175.35 175.97 1pi4 s ALA 300 N 0.92 3.57 -0.47 5.17 0.00 -1.26 -1.40 121.76 128.29 1pi4 s ALA 300 Ca 0.09 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 1pi4 s ALA 300 Cb -0.13 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 19.57 1pi4 s ALA 300 CO 0.03 -0.65 0.36 0.42 0.00 0.00 0.00 175.76 175.92 1pi4 s ILE 301 N -0.16 4.65 -0.42 0.00 1.01 -0.80 -4.91 121.20 120.56 1pi4 s ILE 301 Ca 0.57 -1.43 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 1pi4 s ILE 301 Cb -0.40 -3.90 0.11 0.00 0.01 0.00 0.00 42.46 38.28 1pi4 s ILE 301 CO 0.43 -0.66 0.24 -0.89 0.00 0.00 0.00 174.94 174.06 1pi4 s THR 302 N 1.49 3.53 0.68 2.92 2.01 -1.26 -1.57 115.64 123.44 1pi4 s THR 302 Ca 0.04 -1.96 -0.06 0.00 0.31 0.00 0.00 61.69 60.02 1pi4 s THR 302 Cb -0.25 -3.38 0.05 0.00 0.01 0.00 0.00 72.50 68.93 1pi4 s THR 302 CO 0.03 -0.70 0.99 -2.16 -0.69 0.00 0.00 174.62 172.09 1pi4 s PRO 303 N 1.20 2.29 0.37 4.92 0.04 -1.26 -5.09 135.00 137.47 1pi4 s PRO 303 Ca 0.07 -0.27 -0.28 0.00 0.04 0.00 0.00 61.00 60.57 1pi4 s PRO 303 Cb -0.24 -2.20 -0.11 0.00 0.04 0.00 0.00 34.50 31.99 1pi4 s PRO 303 CO -0.03 -1.15 1.37 -2.30 0.04 0.00 0.00 177.00 174.92 1pi4 n PRO 304 N -2.85 2.31 -2.54 0.56 -0.02 -0.61 -4.95 135.00 126.91 1pi4 n PRO 304 Ca 0.08 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 1pi4 n PRO 304 Cb 0.60 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1pi4 n PRO 304 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1pi4 s THR 305 N -1.12 4.27 0.80 3.45 2.01 -0.90 -4.81 115.64 119.34 1pi4 s THR 305 Ca 0.55 1.69 -0.13 0.00 0.31 0.00 0.00 61.69 64.12 1pi4 s THR 305 Cb -0.52 -4.08 0.08 0.00 0.01 0.00 0.00 72.50 67.98 1pi4 s THR 305 CO 0.62 0.16 1.16 -2.84 -0.69 0.00 0.00 174.62 173.04 1pi4 s PRO 306 N 0.76 1.77 -0.36 4.92 0.02 -1.26 -0.96 135.00 139.90 1pi4 s PRO 306 Ca 0.55 1.59 -0.44 0.00 0.02 0.00 0.00 61.00 62.71 1pi4 s PRO 306 Cb -0.27 -1.81 -0.19 0.00 0.02 0.00 0.00 34.50 32.25 1pi4 s PRO 306 CO 0.30 -2.08 1.52 0.00 -0.33 0.00 0.00 177.00 176.41 1pi4 n ALA 307 N -3.38 -1.60 -2.66 -1.55 0.00 -1.25 -4.72 120.51 105.36 1pi4 n ALA 307 Ca 0.12 0.50 -0.40 0.00 0.00 0.00 0.00 53.44 53.67 1pi4 n ALA 307 Cb 0.51 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 1pi4 n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pi4 s VAL 308 N 2.45 5.07 0.23 0.00 1.01 -1.26 -4.98 120.40 122.91 1pi4 s VAL 308 Ca 1.01 1.05 -0.06 0.00 0.00 0.00 0.00 61.98 63.98 1pi4 s VAL 308 Cb -1.38 -3.89 0.14 0.00 0.00 0.00 0.00 36.38 31.26 1pi4 s VAL 308 CO 0.74 0.14 1.77 0.03 0.00 0.00 0.00 175.10 177.78 1pi4 h ARG 309 N 7.50 1.07 -3.61 2.72 3.08 -1.98 -3.24 114.38 119.93 1pi4 h ARG 309 Ca -0.32 -0.23 -0.74 0.00 0.07 0.00 0.00 59.98 58.76 1pi4 h ARG 309 Cb 1.15 -0.16 -0.12 0.00 0.08 0.00 0.00 29.97 30.92 1pi4 h ARG 309 CO 0.75 0.92 2.38 0.00 -1.07 0.00 0.00 179.97 182.95 1pi4 n ALA 310 N -2.45 5.49 -2.73 0.04 0.00 -1.26 -0.89 120.51 118.71 1pi4 n ALA 310 Ca 0.06 -4.18 -0.17 0.00 0.00 0.00 0.00 53.44 49.14 1pi4 n ALA 310 Cb 0.23 -3.14 -0.12 0.00 0.00 0.00 0.00 19.45 16.42 1pi4 n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pi4 s SER 311 N 1.51 1.47 -0.38 0.00 0.01 -1.23 -1.26 113.70 113.83 1pi4 s SER 311 Ca 0.42 -0.58 -0.19 0.00 1.31 0.00 0.00 55.95 56.91 1pi4 s SER 311 Cb 0.11 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.31 1pi4 s SER 311 CO -0.03 -0.09 0.58 0.86 0.41 0.00 0.00 173.24 174.97 1pi4 s TRP 312 N -1.24 3.14 -0.14 2.43 -0.11 0.35 -4.00 118.94 119.37 1pi4 s TRP 312 Ca -0.03 0.12 -0.02 0.00 1.22 0.00 0.00 56.10 57.38 1pi4 s TRP 312 Cb -0.10 -3.10 -0.02 0.00 -1.50 0.00 0.00 33.47 28.75 1pi4 s TRP 312 CO 0.02 -0.67 -0.07 0.08 -4.62 0.00 0.00 176.95 171.69 1pi4 s VAL 313 N 2.58 3.58 0.29 5.86 1.01 0.10 -1.14 120.40 132.67 1pi4 s VAL 313 Ca 0.21 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1pi4 s VAL 313 Cb -0.15 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1pi4 s VAL 313 CO 0.15 0.51 0.70 -1.38 0.00 0.00 0.00 175.10 175.09 1pi4 s HIS 314 N 0.31 -0.11 -0.28 5.22 -0.00 -0.29 -0.41 115.29 119.72 1pi4 s HIS 314 Ca -0.06 -0.36 -0.18 0.00 -0.00 0.00 0.00 55.06 54.45 1pi4 s HIS 314 Cb -0.15 0.67 0.10 0.00 -0.00 0.00 0.00 32.58 33.21 1pi4 s HIS 314 CO 0.04 -1.24 0.83 0.21 -0.00 0.00 0.00 174.74 174.57 1pi4 s LYS 315 N -3.79 0.60 0.27 -0.38 2.47 -0.48 -2.41 119.74 116.02 1pi4 s LYS 315 Ca 0.12 0.94 0.04 0.00 -1.56 0.00 0.00 55.97 55.51 1pi4 s LYS 315 Cb -0.05 0.17 -0.03 0.00 -1.46 0.00 0.00 37.83 36.46 1pi4 s LYS 315 CO 0.08 -0.11 0.41 -0.08 0.16 0.00 0.00 175.35 175.81 1pi4 s THR 316 N 1.18 5.16 -0.05 3.43 -1.32 -1.26 -2.02 115.64 120.77 1pi4 s THR 316 Ca -0.07 -0.86 -0.16 0.00 -1.21 0.00 0.00 61.69 59.40 1pi4 s THR 316 Cb -0.05 -3.84 0.03 0.00 -1.51 0.00 0.00 72.50 67.14 1pi4 s THR 316 CO -0.14 -0.38 0.35 -0.83 -2.21 0.00 0.00 174.62 171.42 1pi4 s GLY 317 N -4.00 -0.21 0.03 6.08 0.00 -0.46 -3.66 107.32 105.09 1pi4 s GLY 317 Ca 0.36 0.57 -0.17 0.00 0.00 0.00 0.00 44.72 45.47 1pi4 s GLY 317 CO 0.31 0.36 0.38 0.00 0.00 0.00 0.00 173.10 174.15 1pi4 s ALA 318 N -0.97 -0.93 0.17 3.20 0.00 -1.26 -0.67 121.76 121.30 1pi4 s ALA 318 Ca -0.10 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1pi4 s ALA 318 Cb -0.04 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 1pi4 s ALA 318 CO 0.04 -0.42 0.06 0.25 0.00 0.00 0.00 175.76 175.69 1pi4 n THR 319 N 0.63 0.00 0.03 0.00 -2.24 -0.75 -3.88 114.28 108.07 1pi4 n THR 319 Ca -0.19 -0.99 0.04 0.00 -2.27 0.00 0.00 64.05 60.64 1pi4 n THR 319 Cb 0.59 0.35 0.42 0.00 -2.10 0.00 0.00 70.33 69.60 1pi4 n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1pi4 h GLY 320 N 0.67 0.50 -0.60 3.38 0.00 -1.97 -3.12 103.07 101.93 1pi4 h GLY 320 Ca -0.13 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1pi4 h GLY 320 CO 0.21 0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.56 1pi4 n GLY 321 N -1.35 2.03 3.06 4.60 0.00 -1.26 -4.49 105.19 107.78 1pi4 n GLY 321 Ca 0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1pi4 n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pi4 s PHE 322 N -0.88 0.55 -0.04 1.61 0.40 -1.18 -1.98 117.98 116.45 1pi4 s PHE 322 Ca 0.11 -0.71 -0.01 0.00 -0.60 0.00 0.00 56.93 55.71 1pi4 s PHE 322 Cb 0.06 -0.35 0.03 0.00 0.51 0.00 0.00 43.02 43.26 1pi4 s PHE 322 CO 0.08 -0.20 0.03 0.20 0.70 0.00 0.00 175.22 176.04 1pi4 s GLY 323 N -2.11 0.23 0.18 4.36 0.00 -0.59 -1.82 107.32 107.57 1pi4 s GLY 323 Ca -0.04 0.16 0.08 0.00 0.00 0.00 0.00 44.72 44.92 1pi4 s GLY 323 CO -0.03 1.05 -0.15 -0.56 0.00 0.00 0.00 173.10 173.41 1pi4 s SER 324 N 1.69 2.48 -0.21 1.64 0.01 0.16 -1.32 113.70 118.15 1pi4 s SER 324 Ca -0.01 -0.93 -0.18 0.00 1.31 0.00 0.00 55.95 56.14 1pi4 s SER 324 Cb -0.13 -0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.03 1pi4 s SER 324 CO -0.03 -0.13 0.55 -0.47 0.41 0.00 0.00 173.24 173.57 1pi4 s TYR 325 N -2.55 -0.63 -0.03 2.43 5.04 -0.39 -1.36 117.35 119.86 1pi4 s TYR 325 Ca 0.18 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1pi4 s TYR 325 Cb -0.03 0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.54 1pi4 s TYR 325 CO 0.06 -0.31 0.01 0.14 -1.34 0.00 0.00 175.55 174.11 1pi4 s VAL 326 N 0.45 0.14 -0.02 3.14 -7.23 -0.86 -0.78 120.40 115.25 1pi4 s VAL 326 Ca -0.01 0.12 -0.03 0.00 -1.81 0.00 0.00 61.98 60.24 1pi4 s VAL 326 Cb -0.04 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.65 1pi4 s VAL 326 CO -0.01 0.14 0.08 0.00 -0.31 0.00 0.00 175.10 174.99 1pi4 s ALA 327 N 1.12 -0.18 0.11 1.32 0.00 -0.65 -1.38 121.76 122.11 1pi4 s ALA 327 Ca -0.08 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.73 1pi4 s ALA 327 Cb -0.13 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 22.98 1pi4 s ALA 327 CO -0.02 -0.10 0.41 -0.59 0.00 0.00 0.00 175.76 175.47 1pi4 s PHE 328 N -0.50 -0.23 -0.32 0.00 -0.12 0.45 -0.64 117.98 116.62 1pi4 s PHE 328 Ca -0.06 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 1pi4 s PHE 328 Cb -0.04 0.27 0.10 0.00 -0.63 0.00 0.00 43.02 42.72 1pi4 s PHE 328 CO 0.00 -0.69 0.08 0.42 -0.05 0.00 0.00 175.22 174.99 1pi4 s ILE 329 N -3.60 1.24 0.21 -4.49 1.01 0.09 -0.72 121.20 114.95 1pi4 s ILE 329 Ca 0.02 -1.64 -0.10 0.00 0.00 0.00 0.00 60.65 58.92 1pi4 s ILE 329 Cb 0.01 -1.93 0.15 0.00 0.01 0.00 0.00 42.46 40.70 1pi4 s ILE 329 CO -0.11 -0.65 1.72 -0.65 0.00 0.00 0.00 174.94 175.25 1pi4 h PRO 330 N 7.96 0.31 -0.99 2.79 0.11 -1.69 -1.78 132.00 138.71 1pi4 h PRO 330 Ca -0.11 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.11 1pi4 h PRO 330 Cb 1.02 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 31.97 1pi4 h PRO 330 CO 0.48 0.20 0.62 1.49 -0.21 0.00 0.00 178.00 180.59 1pi4 h GLU 331 N 0.32 0.91 -0.01 1.05 4.81 -1.33 -2.01 114.58 118.32 1pi4 h GLU 331 Ca 0.31 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1pi4 h GLU 331 Cb 0.42 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1pi4 h GLU 331 CO -0.35 0.60 -0.06 1.63 -0.73 0.00 0.00 179.01 180.10 1pi4 n LYS 332 N -4.66 1.33 -3.87 1.92 4.76 -0.71 -4.93 118.16 112.00 1pi4 n LYS 332 Ca 0.20 -0.70 -0.29 0.00 -2.87 0.00 0.00 58.31 54.65 1pi4 n LYS 332 Cb 0.40 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 32.13 1pi4 n LYS 332 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1pi4 n GLU 333 N -0.23 -5.54 -4.56 1.97 1.02 -0.76 -4.52 120.64 108.03 1pi4 n GLU 333 Ca 0.18 0.61 -0.22 0.00 -0.02 0.00 0.00 57.16 57.71 1pi4 n GLU 333 Cb 0.32 -5.45 -0.15 0.00 -0.02 0.00 0.00 31.44 26.13 1pi4 n GLU 333 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1pi4 s LEU 334 N -7.19 1.95 0.27 -4.62 2.96 -1.18 -2.02 118.68 108.85 1pi4 s LEU 334 Ca 0.56 -0.23 -0.21 0.00 -0.22 0.00 0.00 54.13 54.02 1pi4 s LEU 334 Cb -0.28 -0.67 0.04 0.00 0.50 0.00 0.00 46.19 45.79 1pi4 s LEU 334 CO 0.82 0.13 0.80 -0.83 -1.32 0.00 0.00 176.35 175.95 1pi4 s GLY 335 N -0.14 -0.04 -0.06 7.98 0.00 -0.22 -0.73 107.32 114.11 1pi4 s GLY 335 Ca 0.02 -0.29 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 1pi4 s GLY 335 CO 0.00 0.00 0.29 -1.50 0.00 0.00 0.00 173.10 171.89 1pi4 s ILE 336 N -3.44 0.03 -0.07 0.90 2.07 0.19 -0.29 121.20 120.59 1pi4 s ILE 336 Ca 0.12 -0.24 0.03 0.00 -1.41 0.00 0.00 60.65 59.15 1pi4 s ILE 336 Cb -0.05 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 42.06 1pi4 s ILE 336 CO 0.07 -0.13 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.12 1pi4 s VAL 337 N -0.54 1.34 -0.17 4.00 1.01 -0.28 -1.64 120.40 124.12 1pi4 s VAL 337 Ca -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1pi4 s VAL 337 Cb -0.04 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1pi4 s VAL 337 CO 0.02 0.40 -0.12 -0.04 0.00 0.00 0.00 175.10 175.36 1pi4 s MET 338 N 0.51 2.08 -0.15 2.72 -1.94 0.04 -1.23 119.30 121.33 1pi4 s MET 338 Ca -0.14 -0.66 0.02 0.00 -1.71 0.00 0.00 55.69 53.20 1pi4 s MET 338 Cb -0.15 -2.21 0.01 0.00 2.01 0.00 0.00 34.83 34.49 1pi4 s MET 338 CO 0.04 -0.33 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.00 1pi4 s LEU 339 N 1.47 2.19 0.05 -0.03 1.43 -0.01 -1.26 118.68 122.51 1pi4 s LEU 339 Ca 0.02 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 1pi4 s LEU 339 Cb -0.14 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 1pi4 s LEU 339 CO -0.09 0.07 -0.13 0.00 0.23 0.00 0.00 176.35 176.44 1pi4 s ALA 340 N 0.86 1.02 -0.61 4.21 0.00 -0.43 -0.82 121.76 125.99 1pi4 s ALA 340 Ca -0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1pi4 s ALA 340 Cb -0.15 -0.10 0.41 0.00 0.00 0.00 0.00 23.12 23.27 1pi4 s ALA 340 CO -0.03 0.15 2.04 0.27 0.00 0.00 0.00 175.76 178.19 1pi4 n ASN 341 N 1.62 7.50 -3.78 0.00 6.94 -0.99 -1.54 115.26 125.01 1pi4 n ASN 341 Ca -0.20 -3.66 -0.13 0.00 -0.02 0.00 0.00 54.58 50.57 1pi4 n ASN 341 Cb 0.55 -0.99 -0.11 0.00 -2.36 0.00 0.00 39.78 36.86 1pi4 n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1pi4 s LYS 342 N -3.47 0.37 -0.61 -3.83 2.20 -0.84 -1.56 119.74 112.00 1pi4 s LYS 342 Ca 0.59 0.31 -0.24 0.00 -0.36 0.00 0.00 55.97 56.27 1pi4 s LYS 342 Cb 0.46 0.18 0.05 0.00 -1.51 0.00 0.00 37.83 37.01 1pi4 s LYS 342 CO -0.01 -0.06 0.99 1.21 -0.36 0.00 0.00 175.35 177.12 1pi4 s ASN 343 N -0.05 6.26 0.29 1.43 3.04 -1.25 -2.42 114.94 122.24 1pi4 s ASN 343 Ca -0.02 -0.60 0.09 0.00 0.04 0.00 0.00 52.86 52.37 1pi4 s ASN 343 Cb -0.03 -2.44 -0.04 0.00 -1.54 0.00 0.00 41.25 37.20 1pi4 s ASN 343 CO 0.01 -1.38 0.06 -0.72 -3.04 0.00 0.00 177.10 172.03 1pi4 s TYR 344 N 4.21 2.75 0.20 0.43 1.13 -1.26 -4.95 117.35 119.85 1pi4 s TYR 344 Ca 0.28 -0.26 -0.32 0.00 -1.41 0.00 0.00 57.07 55.36 1pi4 s TYR 344 Cb -0.14 -1.35 -0.15 0.00 -1.10 0.00 0.00 41.96 39.22 1pi4 s TYR 344 CO 0.15 0.52 1.27 -2.30 -2.51 0.00 0.00 175.55 172.68 1pi4 n PRO 345 N -1.01 1.51 -0.29 -3.49 -0.02 -1.26 -4.90 135.00 125.54 1pi4 n PRO 345 Ca -0.06 0.54 0.01 0.00 -2.02 0.00 0.00 63.50 61.97 1pi4 n PRO 345 Cb 0.60 -2.11 0.14 0.00 -0.02 0.00 0.00 33.50 32.11 1pi4 n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1pi4 h ASN 346 N 3.76 0.73 -0.62 2.55 2.35 -1.97 -2.43 115.58 119.95 1pi4 h ASN 346 Ca -0.44 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.42 1pi4 h ASN 346 Cb 1.32 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.53 1pi4 h ASN 346 CO 0.73 0.45 0.41 -0.65 -1.65 0.00 0.00 177.43 176.72 1pi4 h PRO 347 N 0.86 0.49 -0.28 0.81 0.11 -1.83 -0.94 132.00 131.22 1pi4 h PRO 347 Ca 0.37 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.35 1pi4 h PRO 347 Cb 0.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1pi4 h PRO 347 CO -0.20 0.33 -0.24 0.00 -0.21 0.00 0.00 178.00 177.68 1pi4 h ALA 348 N 1.68 1.08 -0.06 -0.75 0.00 -1.80 -0.98 119.26 118.43 1pi4 h ALA 348 Ca 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1pi4 h ALA 348 Cb 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pi4 h ALA 348 CO -0.08 0.57 -0.01 0.00 0.00 0.00 0.00 179.25 179.72 1pi4 h ARG 349 N 0.47 0.11 -0.46 0.00 3.08 -1.16 -2.59 114.38 113.82 1pi4 h ARG 349 Ca 0.07 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 1pi4 h ARG 349 Cb 0.66 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1pi4 h ARG 349 CO 0.05 0.42 -0.01 0.28 -1.07 0.00 0.00 179.97 179.63 1pi4 h VAL 350 N -0.21 1.26 -0.34 2.04 2.07 -1.15 -1.16 116.25 118.76 1pi4 h VAL 350 Ca 0.02 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.49 1pi4 h VAL 350 Cb 0.37 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1pi4 h VAL 350 CO 0.00 0.37 0.16 -0.78 0.02 0.00 0.00 177.57 177.35 1pi4 h ASP 351 N 0.68 0.24 -0.52 0.57 3.58 -1.23 0.24 116.42 119.97 1pi4 h ASP 351 Ca 0.13 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 1pi4 h ASP 351 Cb 0.52 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1pi4 h ASP 351 CO 0.03 0.18 0.21 0.00 -2.88 0.00 0.00 179.24 176.77 1pi4 h ALA 352 N 1.18 0.67 -0.57 -0.78 0.00 -1.23 -1.16 119.26 117.37 1pi4 h ALA 352 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1pi4 h ALA 352 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1pi4 h ALA 352 CO -0.11 0.28 0.33 0.00 0.00 0.00 0.00 179.25 179.76 1pi4 h ALA 353 N 1.05 0.73 -0.57 0.00 0.00 -0.93 -2.17 119.26 117.37 1pi4 h ALA 353 Ca 0.17 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1pi4 h ALA 353 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1pi4 h ALA 353 CO -0.01 0.22 -0.08 2.35 0.00 0.00 0.00 179.25 181.73 1pi4 h TRP 354 N 0.77 1.17 -0.61 0.00 7.01 -0.68 -0.03 115.95 123.57 1pi4 h TRP 354 Ca 0.20 -0.23 0.03 0.00 2.11 0.00 0.00 58.89 61.00 1pi4 h TRP 354 Cb 0.01 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 26.73 1pi4 h TRP 354 CO -0.02 1.06 0.37 1.96 -2.79 0.00 0.00 178.44 179.02 1pi4 h GLN 355 N 0.94 0.71 0.28 2.65 4.20 -0.94 0.24 115.11 123.19 1pi4 h GLN 355 Ca 0.15 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1pi4 h GLN 355 Cb 0.65 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1pi4 h GLN 355 CO 0.04 0.47 -0.13 0.82 -0.67 0.00 0.00 178.83 179.36 1pi4 h ILE 356 N 0.73 0.76 -0.40 2.54 2.04 -1.08 -1.94 117.51 120.16 1pi4 h ILE 356 Ca 0.25 -0.53 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1pi4 h ILE 356 Cb 0.03 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1pi4 h ILE 356 CO -0.11 0.11 -0.13 -0.07 0.00 0.00 0.00 178.15 177.95 1pi4 h LEU 357 N -0.66 0.71 -1.28 1.44 3.38 -0.91 -2.57 115.31 115.42 1pi4 h LEU 357 Ca -0.04 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1pi4 h LEU 357 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1pi4 h LEU 357 CO 0.06 0.87 -0.08 -1.13 0.09 0.00 0.00 178.44 178.25 1pi4 h ASN 358 N 0.65 0.37 0.19 -0.43 -1.24 -0.51 -0.53 115.58 114.08 1pi4 h ASN 358 Ca 0.11 -0.08 -0.09 0.00 0.71 0.00 0.00 56.30 56.95 1pi4 h ASN 358 Cb 0.60 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 1pi4 h ASN 358 CO 0.04 0.49 -0.35 0.00 -1.29 0.00 0.00 177.43 176.32 1pi4 h ALA 359 N 1.55 1.20 0.00 1.57 0.00 -0.97 -3.27 119.26 119.34 1pi4 h ALA 359 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1pi4 h ALA 359 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pi4 h ALA 359 CO 0.02 0.54 -1.36 1.28 0.00 0.00 0.00 179.25 179.72 1pi4 n LEU 360 N -4.08 0.49 0.00 0.00 4.77 -0.89 -5.11 117.00 112.18 1pi4 n LEU 360 Ca -0.01 0.09 0.10 0.00 -0.03 0.00 0.00 56.01 56.16 1pi4 n LEU 360 Cb 0.43 -0.05 0.62 0.00 -2.33 0.00 0.00 43.42 42.10 1pi4 n LEU 360 CO 0.41 -0.04 0.81 0.00 -1.33 0.00 0.00 177.39 177.24