#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwn n ALA 2 N 0.00 -3.54 -2.90 3.17 0.00 -1.26 -5.02 120.51 110.97 1xwn n ALA 2 Ca 0.00 1.00 -0.34 0.00 0.00 0.00 0.00 53.44 54.10 1xwn n ALA 2 Cb 0.00 -1.97 -0.12 0.00 0.00 0.00 0.00 19.45 17.36 1xwn n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwn s ALA 3 N -1.39 2.95 -0.61 0.00 0.00 -1.26 -5.08 121.76 116.37 1xwn s ALA 3 Ca -0.07 -0.84 -0.19 0.00 0.00 0.00 0.00 51.96 50.86 1xwn s ALA 3 Cb 0.00 -1.44 0.11 0.00 0.00 0.00 0.00 23.12 21.79 1xwn s ALA 3 CO 0.78 0.30 0.72 0.96 0.00 0.00 0.00 175.76 178.52 1xwn s ILE 4 N 0.11 4.83 0.18 0.00 -4.36 -1.26 -4.96 121.20 115.74 1xwn s ILE 4 Ca -0.02 -1.05 -0.23 0.00 -0.26 0.00 0.00 60.65 59.10 1xwn s ILE 4 Cb -0.14 -4.50 0.09 0.00 1.25 0.00 0.00 42.46 39.16 1xwn s ILE 4 CO 0.03 -1.14 1.58 1.55 0.24 0.00 0.00 174.94 177.19 1xwn h PRO 5 N 9.14 -0.17 -7.34 0.37 0.13 -2.07 -3.42 132.00 128.65 1xwn h PRO 5 Ca -0.27 0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.37 1xwn h PRO 5 Cb 1.08 0.04 0.13 0.00 0.13 0.00 0.00 31.00 32.38 1xwn h PRO 5 CO 1.09 -0.12 0.30 -1.25 -0.23 0.00 0.00 178.00 177.80 1xwn s PRO 6 N -5.92 1.97 0.21 1.56 0.04 -1.26 -5.08 135.00 126.51 1xwn s PRO 6 Ca -0.14 0.95 -0.07 0.00 0.04 0.00 0.00 61.00 61.78 1xwn s PRO 6 Cb 0.15 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 1xwn s PRO 6 CO 0.68 -1.78 0.28 0.34 0.04 0.00 0.00 177.00 176.56 1xwn s ASP 7 N -3.52 0.05 -0.03 6.66 2.15 -1.26 -5.17 116.67 115.55 1xwn s ASP 7 Ca 0.61 -1.13 -0.01 0.00 0.43 0.00 0.00 52.55 52.46 1xwn s ASP 7 Cb -0.17 0.46 0.03 0.00 -0.30 0.00 0.00 42.92 42.94 1xwn s ASP 7 CO 0.56 -0.96 0.03 -0.94 -0.17 0.00 0.00 175.17 173.69 1xwn s SER 8 N -3.07 0.53 -0.16 -0.34 1.04 -1.26 -5.06 113.70 105.38 1xwn s SER 8 Ca 0.29 0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.58 1xwn s SER 8 Cb 0.04 -0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.95 1xwn s SER 8 CO 0.09 -0.16 -0.31 0.79 0.98 0.00 0.00 173.24 174.63 1xwn n TRP 9 N 4.53 0.08 -2.18 5.02 8.01 -1.26 -5.11 117.44 126.53 1xwn n TRP 9 Ca -0.20 0.04 -0.00 0.00 -1.31 0.00 0.00 57.50 56.02 1xwn n TRP 9 Cb 0.50 -0.49 -0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1xwn n TRP 9 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1xwn n GLN 10 N -4.35 -4.43 -1.83 -0.99 1.13 -1.26 -4.82 117.38 100.84 1xwn n GLN 10 Ca -0.12 3.29 -0.43 0.00 -1.94 0.00 0.00 57.00 57.80 1xwn n GLN 10 Cb 0.46 -4.16 -0.03 0.00 0.11 0.00 0.00 30.24 26.62 1xwn n GLN 10 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1xwn s PRO 11 N -0.82 3.31 -0.02 -1.09 0.04 -1.26 -4.87 135.00 130.30 1xwn s PRO 11 Ca -0.02 1.74 0.06 0.00 0.04 0.00 0.00 61.00 62.82 1xwn s PRO 11 Cb 0.00 -4.26 0.21 0.00 0.04 0.00 0.00 34.50 30.49 1xwn s PRO 11 CO 0.05 -1.89 1.08 -0.35 0.04 0.00 0.00 177.00 175.94 1xwn n PRO 12 N 8.48 1.69 -4.52 0.56 -0.04 -1.26 -4.83 135.00 135.07 1xwn n PRO 12 Ca 0.25 -0.83 -0.31 0.00 -0.04 0.00 0.00 63.50 62.58 1xwn n PRO 12 Cb 0.46 -1.32 -0.12 0.00 -0.04 0.00 0.00 33.50 32.48 1xwn n PRO 12 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1xwn s ASN 13 N -0.78 4.10 -0.03 3.54 0.02 -1.26 -3.38 114.94 117.15 1xwn s ASN 13 Ca 0.15 -0.36 0.06 0.00 -1.02 0.00 0.00 52.86 51.70 1xwn s ASN 13 Cb 0.09 -0.76 -0.01 0.00 0.02 0.00 0.00 41.25 40.59 1xwn s ASN 13 CO 0.08 0.25 -0.23 -0.69 0.02 0.00 0.00 177.10 176.53 1xwn s VAL 14 N -1.00 1.81 -0.39 1.60 1.01 -1.04 -1.83 120.40 120.57 1xwn s VAL 14 Ca 0.16 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1xwn s VAL 14 Cb -0.11 -1.52 0.08 0.00 0.00 0.00 0.00 36.38 34.84 1xwn s VAL 14 CO 0.07 0.51 0.18 -0.31 0.00 0.00 0.00 175.10 175.56 1xwn s TYR 15 N -0.36 3.42 -0.57 5.22 1.51 0.01 -1.76 117.35 124.82 1xwn s TYR 15 Ca 0.04 -1.95 -0.20 0.00 -1.01 0.00 0.00 57.07 53.96 1xwn s TYR 15 Cb -0.10 -2.87 0.08 0.00 -0.11 0.00 0.00 41.96 38.95 1xwn s TYR 15 CO 0.01 -0.89 0.72 -0.51 -1.11 0.00 0.00 175.55 173.77 1xwn s LEU 16 N 1.28 5.05 -1.21 -1.29 1.43 -1.07 -0.98 118.68 121.89 1xwn s LEU 16 Ca 0.03 -1.14 -0.20 0.00 -1.03 0.00 0.00 54.13 51.79 1xwn s LEU 16 Cb -0.22 -2.39 0.06 0.00 0.03 0.00 0.00 46.19 43.67 1xwn s LEU 16 CO -0.01 -1.08 1.65 -0.70 0.23 0.00 0.00 176.35 176.43 1xwn s GLU 17 N 2.91 3.84 0.19 1.70 -6.30 0.25 -3.23 118.70 118.07 1xwn s GLU 17 Ca 0.15 -1.70 -0.10 0.00 -2.50 0.00 0.00 54.97 50.82 1xwn s GLU 17 Cb -0.21 -5.48 -0.07 0.00 0.00 0.00 0.00 34.13 28.38 1xwn s GLU 17 CO 0.09 -2.26 0.52 0.95 0.02 0.00 0.00 175.26 174.59 1xwn s THR 18 N 4.54 4.95 0.42 -1.70 -4.23 -1.24 -1.58 115.64 116.80 1xwn s THR 18 Ca 0.51 0.50 0.10 0.00 -1.18 0.00 0.00 61.69 61.63 1xwn s THR 18 Cb 0.03 -3.64 0.30 0.00 1.34 0.00 0.00 72.50 70.52 1xwn s THR 18 CO 0.02 0.03 2.02 -1.28 -0.54 0.00 0.00 174.62 174.87 1xwn h SER 19 N 2.85 0.42 -0.47 3.99 0.87 -0.83 -1.68 113.55 118.71 1xwn h SER 19 Ca -0.47 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 59.98 1xwn h SER 19 Cb 1.18 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1xwn h SER 19 CO 0.69 0.28 -0.11 -0.03 -0.53 0.00 0.00 176.83 177.12 1xwn h MET 20 N 0.49 0.91 0.00 2.24 1.85 -1.85 -3.48 114.93 115.09 1xwn h MET 20 Ca 0.22 -0.35 0.00 0.00 -0.61 0.00 0.00 59.70 58.96 1xwn h MET 20 Cb 0.24 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.22 1xwn h MET 20 CO -0.06 1.00 0.00 0.41 -0.40 0.00 0.00 176.91 177.86 1xwn n GLY 21 N -0.21 2.22 3.74 1.39 0.00 -0.63 -5.11 105.19 106.58 1xwn n GLY 21 Ca 0.00 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1xwn n GLY 21 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xwn s ILE 22 N -2.00 4.39 -0.07 -0.61 1.10 -1.26 -3.61 121.20 119.14 1xwn s ILE 22 Ca 0.00 2.05 -0.05 0.00 -0.51 0.00 0.00 60.65 62.14 1xwn s ILE 22 Cb 0.00 -4.31 0.02 0.00 0.15 0.00 0.00 42.46 38.32 1xwn s ILE 22 CO 0.00 0.37 0.16 0.27 -2.11 0.00 0.00 174.94 173.64 1xwn s ILE 23 N -0.36 -0.01 0.03 2.00 -4.36 -1.20 -4.87 121.20 112.42 1xwn s ILE 23 Ca 0.45 0.05 -0.11 0.00 -0.26 0.00 0.00 60.65 60.78 1xwn s ILE 23 Cb -0.24 -0.25 -0.05 0.00 1.25 0.00 0.00 42.46 43.17 1xwn s ILE 23 CO 0.30 0.02 0.36 -0.69 0.24 0.00 0.00 174.94 175.17 1xwn s VAL 24 N 0.41 5.14 0.27 8.37 1.01 0.25 -2.61 120.40 133.24 1xwn s VAL 24 Ca -0.03 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.54 1xwn s VAL 24 Cb -0.04 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 1xwn s VAL 24 CO -0.02 0.41 -0.09 -0.76 0.00 0.00 0.00 175.10 174.65 1xwn s LEU 25 N -1.57 2.52 -0.21 3.92 1.43 -0.72 -3.82 118.68 120.23 1xwn s LEU 25 Ca 0.28 -1.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.24 1xwn s LEU 25 Cb -0.14 -0.71 0.04 0.00 0.03 0.00 0.00 46.19 45.41 1xwn s LEU 25 CO 0.15 -0.28 -0.11 -0.70 0.23 0.00 0.00 176.35 175.64 1xwn s GLU 26 N -3.69 2.16 0.01 1.70 2.12 0.04 -2.49 118.70 118.56 1xwn s GLU 26 Ca 0.29 -0.94 -0.10 0.00 0.36 0.00 0.00 54.97 54.58 1xwn s GLU 26 Cb 0.02 -2.53 -0.05 0.00 0.26 0.00 0.00 34.13 31.83 1xwn s GLU 26 CO 0.12 -0.44 0.34 -0.51 -0.54 0.00 0.00 175.26 174.23 1xwn s LEU 27 N 1.33 4.40 -0.70 2.70 2.01 -1.22 -0.83 118.68 126.38 1xwn s LEU 27 Ca -0.02 0.74 -0.19 0.00 0.01 0.00 0.00 54.13 54.67 1xwn s LEU 27 Cb -0.17 -2.68 0.11 0.00 0.01 0.00 0.00 46.19 43.46 1xwn s LEU 27 CO -0.08 0.27 0.86 -0.31 1.01 0.00 0.00 176.35 178.10 1xwn s TYR 28 N -1.24 2.99 -1.52 0.29 2.02 -1.21 -4.89 117.35 113.80 1xwn s TYR 28 Ca 0.27 -1.02 0.00 0.00 -0.37 0.00 0.00 57.07 55.95 1xwn s TYR 28 Cb -0.14 -4.13 0.00 0.00 -0.40 0.00 0.00 41.96 37.29 1xwn s TYR 28 CO 0.14 -1.41 0.71 0.91 -1.57 0.00 0.00 175.55 174.34 1xwn n TRP 29 N 6.56 0.00 -0.03 2.71 7.02 -1.26 -1.40 117.44 131.04 1xwn n TRP 29 Ca 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.45 1xwn n TRP 29 Cb 0.45 -0.05 -0.01 0.00 -2.42 0.00 0.00 31.31 29.28 1xwn n TRP 29 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xwn n LYS 30 N -0.24 0.18 -0.01 -0.99 4.01 -1.26 -4.50 118.16 115.35 1xwn n LYS 30 Ca 0.00 0.07 0.10 0.00 -0.51 0.00 0.00 58.31 57.97 1xwn n LYS 30 Cb 0.11 -0.81 -0.14 0.00 -0.51 0.00 0.00 35.03 33.68 1xwn n LYS 30 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1xwn n HIS 31 N -3.18 0.00 0.87 2.13 8.25 -1.25 -4.42 115.22 117.62 1xwn n HIS 31 Ca -0.05 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.53 1xwn n HIS 31 Cb 0.18 -0.26 0.15 0.00 1.12 0.00 0.00 29.99 31.17 1xwn n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xwn n ALA 32 N -1.89 2.46 -0.48 -1.41 0.00 -0.50 -4.62 120.51 114.07 1xwn n ALA 32 Ca -0.00 -0.75 0.41 0.00 0.00 0.00 0.00 53.44 53.10 1xwn n ALA 32 Cb 0.44 -0.84 0.68 0.00 0.00 0.00 0.00 19.45 19.73 1xwn n ALA 32 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xwn n PRO 33 N 1.33 -0.03 0.29 0.00 -0.02 -1.16 0.82 135.00 136.23 1xwn n PRO 33 Ca 0.15 1.22 -0.12 0.00 -2.02 0.00 0.00 63.50 62.74 1xwn n PRO 33 Cb 0.59 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 1xwn n PRO 33 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xwn h LYS 34 N 0.00 -0.72 -0.40 -0.52 1.63 -1.91 -1.33 116.57 113.32 1xwn h LYS 34 Ca 0.87 0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 60.64 1xwn h LYS 34 Cb 2.86 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 34.64 1xwn h LYS 34 CO -0.43 -0.48 -0.07 0.00 -3.45 0.00 0.00 179.45 175.02 1xwn h THR 35 N -0.88 1.24 -0.16 1.00 1.03 -1.43 -2.85 112.91 110.86 1xwn h THR 35 Ca -0.08 -1.05 0.04 0.00 -0.01 0.00 0.00 66.41 65.32 1xwn h THR 35 Cb 0.58 1.02 -0.04 0.00 -1.07 0.00 0.00 68.15 68.63 1xwn h THR 35 CO 0.13 0.36 -0.10 0.00 -0.01 0.00 0.00 175.52 175.89 1xwn h LYS 37 N -0.10 1.23 0.10 0.00 1.57 -1.11 0.27 116.57 118.52 1xwn h LYS 37 Ca 0.10 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xwn h LYS 37 Cb 0.24 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1xwn h LYS 37 CO -0.23 0.81 -0.05 -0.97 -0.57 0.00 0.00 179.45 178.45 1xwn h ASN 38 N 1.26 -0.11 -0.71 0.86 -0.73 -1.10 0.33 115.58 115.38 1xwn h ASN 38 Ca 0.38 -0.19 0.03 0.00 1.87 0.00 0.00 56.30 58.39 1xwn h ASN 38 Cb -0.04 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 38.54 1xwn h ASN 38 CO -0.11 0.12 0.45 0.15 -0.37 0.00 0.00 177.43 177.67 1xwn h PHE 39 N -0.35 0.85 -0.27 0.67 3.57 -0.28 0.15 116.94 121.28 1xwn h PHE 39 Ca -0.01 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 1xwn h PHE 39 Cb 0.29 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1xwn h PHE 39 CO -0.00 0.49 -0.29 0.00 -2.23 0.00 0.00 178.31 176.28 1xwn h ALA 40 N 1.30 0.40 0.03 2.41 0.00 -0.88 -2.64 119.26 119.87 1xwn h ALA 40 Ca 0.28 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xwn h ALA 40 Cb -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xwn h ALA 40 CO -0.10 0.42 -0.01 0.93 0.00 0.00 0.00 179.25 180.49 1xwn h GLU 41 N 0.41 -0.03 -0.86 0.00 4.39 -0.01 0.16 114.58 118.64 1xwn h GLU 41 Ca 0.04 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.82 1xwn h GLU 41 Cb 0.87 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.47 1xwn h GLU 41 CO 0.07 0.16 0.56 -0.07 -1.16 0.00 0.00 179.01 178.57 1xwn h LEU 42 N -0.23 0.80 -0.23 1.33 4.07 -0.76 0.51 115.31 120.82 1xwn h LEU 42 Ca -0.00 0.01 -0.20 0.00 0.08 0.00 0.00 57.88 57.77 1xwn h LEU 42 Cb 0.21 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1xwn h LEU 42 CO 0.01 0.50 -0.91 0.00 -1.08 0.00 0.00 178.44 176.95 1xwn h ALA 43 N 1.55 0.49 -0.00 1.53 0.00 -1.29 -0.20 119.26 121.33 1xwn h ALA 43 Ca 0.38 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1xwn h ALA 43 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xwn h ALA 43 CO -0.15 0.99 -0.20 -0.09 0.00 0.00 0.00 179.25 179.80 1xwn h ARG 44 N 0.07 0.14 -0.02 0.00 2.43 0.47 -3.27 114.38 114.19 1xwn h ARG 44 Ca -0.04 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1xwn h ARG 44 Cb 1.57 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.16 1xwn h ARG 44 CO 0.13 0.88 0.02 0.07 -1.51 0.00 0.00 179.97 179.57 1xwn h ARG 45 N -0.55 0.00 0.00 0.20 0.11 -0.13 -3.46 114.38 110.55 1xwn h ARG 45 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1xwn h ARG 45 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1xwn h ARG 45 CO 0.04 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.52 1xwn n GLY 46 N -1.49 0.78 0.18 0.08 0.00 -1.16 -5.06 105.19 98.52 1xwn n GLY 46 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1xwn n GLY 46 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xwn n TYR 47 N 0.00 0.00 0.16 1.61 9.36 -0.10 -4.50 117.16 123.69 1xwn n TYR 47 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 1xwn n TYR 47 Cb 0.00 -0.90 0.31 0.00 -0.63 0.00 0.00 39.34 38.12 1xwn n TYR 47 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1xwn h TYR 48 N -0.53 0.08 -2.05 2.98 0.05 -1.86 -3.42 116.97 112.22 1xwn h TYR 48 Ca -0.59 -0.02 -0.58 0.00 0.05 0.00 0.00 58.73 57.59 1xwn h TYR 48 Cb 1.66 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 39.39 1xwn h TYR 48 CO -0.04 0.46 1.40 0.09 -1.05 0.00 0.00 178.16 179.02 1xwn n ASN 49 N -4.05 3.48 0.00 3.88 5.03 -1.26 -1.22 115.26 121.12 1xwn n ASN 49 Ca -0.02 0.44 0.00 0.00 0.87 0.00 0.00 54.58 55.88 1xwn n ASN 49 Cb 0.44 -1.53 0.00 0.00 -1.02 0.00 0.00 39.78 37.68 1xwn n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xwn n GLY 50 N 5.40 2.53 3.94 7.41 0.00 -1.17 -5.05 105.19 118.25 1xwn n GLY 50 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 1xwn n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xwn s THR 51 N -2.39 2.08 0.30 2.61 2.01 -0.35 -4.77 115.64 115.12 1xwn s THR 51 Ca 0.00 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.69 1xwn s THR 51 Cb 0.00 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.61 1xwn s THR 51 CO 0.00 0.00 0.59 -1.59 -0.69 0.00 0.00 174.62 172.93 1xwn s LYS 52 N -5.57 1.80 -0.23 4.92 -2.85 -1.26 -0.80 119.74 115.76 1xwn s LYS 52 Ca 0.68 -1.32 -0.25 0.00 -1.00 0.00 0.00 55.97 54.08 1xwn s LYS 52 Cb -0.06 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.23 1xwn s LYS 52 CO 0.49 -0.79 0.85 -0.06 0.10 0.00 0.00 175.35 175.94 1xwn s PHE 53 N -3.49 3.33 -0.18 1.78 0.08 -1.26 -2.65 117.98 115.59 1xwn s PHE 53 Ca 0.20 1.18 0.16 0.00 0.12 0.00 0.00 56.93 58.60 1xwn s PHE 53 Cb -0.03 -3.06 -0.24 0.00 -0.57 0.00 0.00 43.02 39.12 1xwn s PHE 53 CO 0.11 -0.37 0.14 -2.39 -0.10 0.00 0.00 175.22 172.60 1xwn n HIS 54 N 5.88 0.14 -3.71 0.36 1.44 -1.24 -4.88 115.22 113.21 1xwn n HIS 54 Ca 0.06 0.05 -0.36 0.00 -2.01 0.00 0.00 57.72 55.45 1xwn n HIS 54 Cb 0.48 -1.03 -0.10 0.00 0.12 0.00 0.00 29.99 29.46 1xwn n HIS 54 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1xwn s ARG 55 N -2.51 3.97 -0.29 -1.40 3.52 -1.16 -4.54 118.95 116.55 1xwn s ARG 55 Ca -0.10 -0.32 -0.01 0.00 -0.13 0.00 0.00 55.73 55.16 1xwn s ARG 55 Cb 0.06 -3.48 0.13 0.00 -1.56 0.00 0.00 34.95 30.10 1xwn s ARG 55 CO 0.82 0.01 0.26 0.42 -0.81 0.00 0.00 175.30 176.00 1xwn s ILE 56 N 1.18 -0.34 -0.28 4.11 1.01 -1.26 -1.45 121.20 124.17 1xwn s ILE 56 Ca 0.07 -0.53 -0.20 0.00 0.00 0.00 0.00 60.65 59.99 1xwn s ILE 56 Cb -0.14 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 1xwn s ILE 56 CO 0.05 -0.51 0.60 -0.63 0.00 0.00 0.00 174.94 174.44 1xwn s ILE 57 N 2.31 4.99 0.03 2.92 1.01 0.36 -4.67 121.20 128.15 1xwn s ILE 57 Ca 0.09 0.91 -0.33 0.00 0.00 0.00 0.00 60.65 61.32 1xwn s ILE 57 Cb -0.14 -3.94 -0.12 0.00 0.01 0.00 0.00 42.46 38.27 1xwn s ILE 57 CO -0.34 -0.04 1.80 1.17 0.00 0.00 0.00 174.94 177.53 1xwn n LYS 58 N 5.75 2.35 -3.47 2.79 0.00 -1.26 -2.17 118.16 122.15 1xwn n LYS 58 Ca -0.02 0.86 -0.18 0.00 0.00 0.00 0.00 58.31 58.97 1xwn n LYS 58 Cb 0.49 -2.70 0.08 0.00 0.00 0.00 0.00 35.03 32.90 1xwn n LYS 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1xwn n ASP 59 N 5.63 -2.00 0.00 3.14 2.03 -1.26 -4.86 116.55 119.23 1xwn n ASP 59 Ca 0.20 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.86 1xwn n ASP 59 Cb 0.32 -4.97 0.00 0.00 -0.72 0.00 0.00 41.12 35.75 1xwn n ASP 59 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1xwn n PHE 60 N -4.13 0.00 -3.84 -0.67 3.01 -0.92 -4.84 117.46 106.07 1xwn n PHE 60 Ca -0.29 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.10 1xwn n PHE 60 Cb 0.67 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.13 1xwn n PHE 60 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xwn s MET 61 N 0.00 1.79 -0.12 -1.08 0.23 -1.16 -1.37 119.30 117.59 1xwn s MET 61 Ca 0.00 -1.02 -0.04 0.00 -1.03 0.00 0.00 55.69 53.60 1xwn s MET 61 Cb 0.00 0.59 0.05 0.00 -1.53 0.00 0.00 34.83 33.94 1xwn s MET 61 CO 0.00 -0.82 0.10 0.96 -2.03 0.00 0.00 175.02 173.23 1xwn s ILE 62 N -3.60 -0.14 -0.08 3.16 -5.25 -1.12 -0.48 121.20 113.69 1xwn s ILE 62 Ca 0.12 0.11 -0.15 0.00 -0.99 0.00 0.00 60.65 59.73 1xwn s ILE 62 Cb -0.05 -0.41 -0.05 0.00 2.95 0.00 0.00 42.46 44.90 1xwn s ILE 62 CO 0.07 -0.07 0.39 -1.58 -1.79 0.00 0.00 174.94 171.97 1xwn s GLN 63 N 2.19 4.10 0.21 0.37 0.74 -0.53 -2.62 119.66 124.12 1xwn s GLN 63 Ca 0.04 0.33 -0.05 0.00 0.05 0.00 0.00 55.36 55.73 1xwn s GLN 63 Cb -0.14 -3.33 -0.05 0.00 1.10 0.00 0.00 33.01 30.58 1xwn s GLN 63 CO -0.07 0.43 0.46 0.20 -0.55 0.00 0.00 175.29 175.76 1xwn s GLY 64 N -0.22 2.04 0.95 2.59 0.00 0.19 -2.99 107.32 109.88 1xwn s GLY 64 Ca 0.22 -0.57 -0.15 0.00 0.00 0.00 0.00 44.72 44.22 1xwn s GLY 64 CO 0.10 -0.48 1.31 -0.32 0.00 0.00 0.00 173.10 173.71 1xwn s GLY 65 N -2.79 1.79 0.11 0.20 0.00 -1.09 -3.43 107.32 102.12 1xwn s GLY 65 Ca 0.42 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1xwn s GLY 65 CO 0.27 -0.51 0.00 1.34 0.00 0.00 0.00 173.10 174.20 1xwn n ASP 66 N -3.73 -0.98 -3.41 1.64 2.03 -1.26 -4.85 116.55 105.99 1xwn n ASP 66 Ca 0.16 0.53 -0.36 0.00 0.52 0.00 0.00 54.79 55.64 1xwn n ASP 66 Cb 0.59 1.24 -0.02 0.00 -0.72 0.00 0.00 41.12 42.21 1xwn n ASP 66 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1xwn n PRO 67 N -2.98 2.76 -1.12 -0.67 -0.04 -1.26 -4.33 135.00 127.36 1xwn n PRO 67 Ca 0.00 -2.04 -0.04 0.00 -0.04 0.00 0.00 63.50 61.38 1xwn n PRO 67 Cb 0.00 -2.83 -0.02 0.00 -0.04 0.00 0.00 33.50 30.61 1xwn n PRO 67 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1xwn n THR 68 N 4.44 0.00 -1.14 0.52 -1.04 -1.25 -1.72 114.28 114.10 1xwn n THR 68 Ca 0.59 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.53 1xwn n THR 68 Cb 0.26 -0.95 -0.03 0.00 -1.82 0.00 0.00 70.33 67.79 1xwn n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xwn n GLY 69 N -0.36 0.67 0.63 3.41 0.00 -1.26 -4.62 105.19 103.66 1xwn n GLY 69 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1xwn n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xwn n THR 70 N -1.95 0.00 -2.54 2.61 -2.24 -1.16 -5.00 114.28 104.00 1xwn n THR 70 Ca -0.07 -0.04 -0.16 0.00 -2.27 0.00 0.00 64.05 61.51 1xwn n THR 70 Cb 0.51 0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1xwn n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xwn n GLY 71 N 0.02 -0.50 0.07 3.38 0.00 -0.70 -4.87 105.19 102.60 1xwn n GLY 71 Ca -0.05 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1xwn n GLY 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xwn h ARG 72 N -0.16 0.00 -2.57 1.61 9.65 -1.84 -3.45 114.38 117.61 1xwn h ARG 72 Ca -0.37 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 57.99 1xwn h ARG 72 Cb 1.27 0.00 -0.38 0.00 -1.39 0.00 0.00 29.97 29.46 1xwn h ARG 72 CO 0.43 0.50 -0.80 0.20 2.80 0.00 0.00 179.97 183.10 1xwn s GLY 73 N -4.23 0.57 -0.09 2.80 0.00 -1.26 -5.05 107.32 100.08 1xwn s GLY 73 Ca -0.16 -1.39 -0.05 0.00 0.00 0.00 0.00 44.72 43.12 1xwn s GLY 73 CO 0.37 2.18 0.21 -0.32 0.00 0.00 0.00 173.10 175.54 1xwn s GLY 74 N 1.58 -0.11 -0.10 0.20 0.00 -1.26 -3.80 107.32 103.82 1xwn s GLY 74 Ca 0.14 0.82 -0.13 0.00 0.00 0.00 0.00 44.72 45.54 1xwn s GLY 74 CO -0.16 1.02 0.35 0.00 0.00 0.00 0.00 173.10 174.32 1xwn s ALA 75 N 0.99 -0.88 0.55 3.20 0.00 -1.26 -5.00 121.76 119.36 1xwn s ALA 75 Ca -0.07 0.84 -0.13 0.00 0.00 0.00 0.00 51.96 52.60 1xwn s ALA 75 Cb -0.09 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 1xwn s ALA 75 CO -0.06 -0.20 0.97 0.45 0.00 0.00 0.00 175.76 176.92 1xwn s SER 76 N -0.23 6.41 0.35 0.00 0.15 0.69 -4.97 113.70 116.10 1xwn s SER 76 Ca -0.04 1.41 0.04 0.00 0.70 0.00 0.00 55.95 58.06 1xwn s SER 76 Cb -0.03 -2.45 0.67 0.00 -1.71 0.00 0.00 66.02 62.49 1xwn s SER 76 CO 0.02 -0.69 1.97 0.16 1.20 0.00 0.00 173.24 175.89 1xwn h ILE 77 N 0.33 1.08 0.01 6.45 3.07 -1.98 -1.79 117.51 124.68 1xwn h ILE 77 Ca -0.46 -0.29 -0.19 0.00 1.55 0.00 0.00 64.86 65.48 1xwn h ILE 77 Cb 1.19 0.17 -0.02 0.00 -0.27 0.00 0.00 36.82 37.89 1xwn h ILE 77 CO 0.62 0.15 -0.87 1.88 -1.05 0.00 0.00 178.15 178.88 1xwn h TYR 78 N 0.84 0.15 0.00 0.16 0.05 -2.00 -3.50 116.97 112.68 1xwn h TYR 78 Ca 0.30 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1xwn h TYR 78 Cb 0.12 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1xwn h TYR 78 CO -0.00 0.92 0.00 0.41 -1.05 0.00 0.00 178.16 178.44 1xwn n GLY 79 N 0.91 -0.54 0.08 3.88 0.00 -0.67 -5.02 105.19 103.83 1xwn n GLY 79 Ca -0.02 -0.83 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 1xwn n GLY 79 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xwn h LYS 80 N 0.00 -0.06 -4.58 1.61 3.64 -1.95 0.20 116.57 115.42 1xwn h LYS 80 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 1xwn h LYS 80 Cb 0.00 0.01 -0.24 0.00 -0.41 0.00 0.00 32.23 31.59 1xwn h LYS 80 CO 0.00 0.38 -0.75 1.14 -2.27 0.00 0.00 179.45 177.95 1xwn s GLN 81 N -2.20 0.55 0.40 1.90 -2.07 -1.26 -4.42 119.66 112.55 1xwn s GLN 81 Ca -0.09 -0.57 0.05 0.00 -1.82 0.00 0.00 55.36 52.93 1xwn s GLN 81 Cb -0.01 -0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 31.47 1xwn s GLN 81 CO 0.34 0.10 0.19 -0.59 -1.32 0.00 0.00 175.29 174.00 1xwn s PHE 82 N -0.90 1.78 0.12 9.60 -0.12 -1.25 -4.91 117.98 122.29 1xwn s PHE 82 Ca -0.04 -1.44 -0.30 0.00 -0.05 0.00 0.00 56.93 55.09 1xwn s PHE 82 Cb -0.07 -1.02 -0.06 0.00 -0.63 0.00 0.00 43.02 41.24 1xwn s PHE 82 CO 0.00 -0.51 1.03 -1.21 -0.05 0.00 0.00 175.22 174.49 1xwn s GLU 83 N -3.59 4.62 0.26 1.99 2.02 -1.26 -3.01 118.70 119.73 1xwn s GLU 83 Ca 0.27 1.57 -0.30 0.00 0.02 0.00 0.00 54.97 56.54 1xwn s GLU 83 Cb 0.02 -3.35 -0.14 0.00 0.10 0.00 0.00 34.13 30.76 1xwn s GLU 83 CO 0.19 0.09 1.25 -0.25 0.02 0.00 0.00 175.26 176.56 1xwn n ASP 84 N 2.87 2.20 -2.14 -0.19 9.92 -1.26 -4.88 116.55 123.07 1xwn n ASP 84 Ca 0.03 1.17 -0.26 0.00 -0.53 0.00 0.00 54.79 55.20 1xwn n ASP 84 Cb 0.48 -1.38 0.05 0.00 -0.64 0.00 0.00 41.12 39.64 1xwn n ASP 84 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1xwn n GLU 85 N 1.35 2.25 -2.73 -1.24 0.00 -1.26 -4.96 120.64 114.05 1xwn n GLU 85 Ca 0.10 -2.42 -0.41 0.00 0.00 0.00 0.00 57.16 54.43 1xwn n GLU 85 Cb 0.32 -1.95 -0.04 0.00 0.00 0.00 0.00 31.44 29.76 1xwn n GLU 85 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1xwn s LEU 86 N -2.80 4.47 -0.19 -1.84 2.96 -1.26 -4.76 118.68 115.27 1xwn s LEU 86 Ca 0.48 1.76 -0.06 0.00 -0.22 0.00 0.00 54.13 56.09 1xwn s LEU 86 Cb 0.37 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.58 1xwn s LEU 86 CO -0.02 -0.10 0.36 -1.00 -1.32 0.00 0.00 176.35 174.27 1xwn s HIS 87 N 0.20 -0.69 -0.59 5.38 3.76 -1.26 -5.10 115.29 116.99 1xwn s HIS 87 Ca 0.48 1.23 -0.28 0.00 -0.15 0.00 0.00 55.06 56.33 1xwn s HIS 87 Cb -0.23 0.15 -0.11 0.00 1.11 0.00 0.00 32.58 33.50 1xwn s HIS 87 CO 0.29 -0.49 2.46 -2.30 -0.85 0.00 0.00 174.74 173.85 1xwn n PRO 88 N 5.37 0.83 0.00 8.40 -0.02 -1.26 -3.95 135.00 144.37 1xwn n PRO 88 Ca -0.07 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1xwn n PRO 88 Cb 0.50 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1xwn n PRO 88 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xwn n ASP 89 N 13.71 0.00 -4.48 2.55 -0.08 -1.26 -5.16 116.55 121.83 1xwn n ASP 89 Ca 0.44 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.46 1xwn n ASP 89 Cb 0.38 0.12 0.14 0.00 2.34 0.00 0.00 41.12 44.09 1xwn n ASP 89 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1xwn s LEU 90 N -3.35 2.86 -0.01 -2.67 2.01 -1.25 -5.13 118.68 111.15 1xwn s LEU 90 Ca 0.00 -0.05 -0.15 0.00 0.01 0.00 0.00 54.13 53.94 1xwn s LEU 90 Cb 0.00 -2.19 0.02 0.00 0.01 0.00 0.00 46.19 44.03 1xwn s LEU 90 CO 0.00 -2.18 0.32 -0.75 1.01 0.00 0.00 176.35 174.74 1xwn s LYS 91 N -5.44 0.69 -0.75 1.70 2.20 -1.26 -5.08 119.74 111.80 1xwn s LYS 91 Ca 0.69 -0.21 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 1xwn s LYS 91 Cb -0.05 0.31 0.32 0.00 -1.51 0.00 0.00 37.83 36.90 1xwn s LYS 91 CO 0.48 -0.19 1.22 1.19 -0.36 0.00 0.00 175.35 177.69 1xwn n PHE 92 N 1.20 3.55 0.00 4.03 3.72 -1.26 -4.69 117.46 124.01 1xwn n PHE 92 Ca -0.21 -3.51 0.00 0.00 -0.05 0.00 0.00 57.45 53.68 1xwn n PHE 92 Cb 0.56 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 1xwn n PHE 92 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1xwn n THR 93 N -0.02 0.00 -1.71 4.37 5.66 -1.26 -3.76 114.28 117.55 1xwn n THR 93 Ca 0.36 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.93 1xwn n THR 93 Cb 0.35 -0.91 -0.03 0.00 -1.55 0.00 0.00 70.33 68.19 1xwn n THR 93 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1xwn s GLY 94 N -4.56 0.78 -0.34 1.09 0.00 -1.26 -3.70 107.32 99.33 1xwn s GLY 94 Ca 0.00 0.79 -0.42 0.00 0.00 0.00 0.00 44.72 45.08 1xwn s GLY 94 CO 0.00 3.61 1.68 0.00 0.00 0.00 0.00 173.10 178.39 1xwn n ALA 95 N 10.48 -0.62 0.00 3.20 0.00 -1.26 -4.01 120.51 128.30 1xwn n ALA 95 Ca 0.26 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1xwn n ALA 95 Cb 0.44 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1xwn n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwn n GLY 96 N 4.08 0.76 3.19 0.00 0.00 0.20 -4.97 105.19 108.44 1xwn n GLY 96 Ca 0.28 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1xwn n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwn s ILE 97 N -1.44 0.92 -0.34 -0.61 -1.09 -1.20 -2.54 121.20 114.91 1xwn s ILE 97 Ca 0.00 -1.77 0.03 0.00 -2.23 0.00 0.00 60.65 56.68 1xwn s ILE 97 Cb 0.00 -1.50 0.10 0.00 -1.58 0.00 0.00 42.46 39.48 1xwn s ILE 97 CO 0.00 -0.66 0.06 -0.22 -1.23 0.00 0.00 174.94 172.89 1xwn s LEU 98 N -2.69 4.70 -0.08 2.97 2.96 0.24 -2.61 118.68 124.18 1xwn s LEU 98 Ca 0.08 -2.05 -0.03 0.00 -0.22 0.00 0.00 54.13 51.92 1xwn s LEU 98 Cb -0.00 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1xwn s LEU 98 CO -0.01 -0.38 0.05 0.00 -1.32 0.00 0.00 176.35 174.69 1xwn s ALA 99 N 0.96 3.48 -0.04 5.97 0.00 -1.16 0.46 121.76 131.43 1xwn s ALA 99 Ca 0.08 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 1xwn s ALA 99 Cb -0.20 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1xwn s ALA 99 CO -0.07 0.62 1.01 1.41 0.00 0.00 0.00 175.76 178.73 1xwn s MET 100 N -1.09 4.49 0.34 0.00 1.75 0.35 -3.39 119.30 121.75 1xwn s MET 100 Ca 0.16 1.44 -0.24 0.00 -1.25 0.00 0.00 55.69 55.80 1xwn s MET 100 Cb -0.12 -3.49 -0.10 0.00 2.84 0.00 0.00 34.83 33.96 1xwn s MET 100 CO 0.05 -0.19 0.93 0.00 -0.65 0.00 0.00 175.02 175.16 1xwn s ALA 101 N 1.47 3.18 0.39 4.11 0.00 -1.21 -2.53 121.76 127.18 1xwn s ALA 101 Ca 0.51 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.97 1xwn s ALA 101 Cb -0.21 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1xwn s ALA 101 CO 0.24 0.18 0.13 -0.80 0.00 0.00 0.00 175.76 175.51 1xwn s ASN 102 N -1.78 2.66 0.02 0.00 0.01 -1.26 -3.77 114.94 110.82 1xwn s ASN 102 Ca 0.53 -1.65 0.00 0.00 -0.71 0.00 0.00 52.86 51.03 1xwn s ASN 102 Cb -0.16 0.46 0.00 0.00 0.41 0.00 0.00 41.25 41.96 1xwn s ASN 102 CO 0.21 -0.91 0.00 0.00 -1.51 0.00 0.00 177.10 174.89 1xwn n ALA 103 N -0.87 3.00 -3.76 0.60 0.00 -0.29 -4.85 120.51 114.34 1xwn n ALA 103 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1xwn n ALA 103 Cb 0.65 0.41 0.03 0.00 0.00 0.00 0.00 19.45 20.54 1xwn n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwn n GLY 104 N 2.95 1.04 3.63 0.00 0.00 -0.83 -5.03 105.19 106.96 1xwn n GLY 104 Ca 0.00 -1.25 -0.53 0.00 0.00 0.00 0.00 46.02 44.24 1xwn n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xwn n PRO 105 N -0.51 1.44 -2.50 1.61 -0.02 -1.26 -0.09 135.00 133.68 1xwn n PRO 105 Ca -0.08 0.50 -0.20 0.00 -2.02 0.00 0.00 63.50 61.70 1xwn n PRO 105 Cb 0.57 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1xwn n PRO 105 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xwn n ASP 106 N 7.01 -5.61 -3.54 2.55 8.00 -1.26 -4.97 116.55 118.74 1xwn n ASP 106 Ca 0.29 -0.07 -0.29 0.00 0.71 0.00 0.00 54.79 55.43 1xwn n ASP 106 Cb 0.21 -4.60 -0.14 0.00 -0.02 0.00 0.00 41.12 36.57 1xwn n ASP 106 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xwn s THR 107 N -3.00 0.24 0.10 -3.53 2.01 0.88 -3.89 115.64 108.45 1xwn s THR 107 Ca 0.06 -1.38 0.06 0.00 0.31 0.00 0.00 61.69 60.74 1xwn s THR 107 Cb -0.03 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1xwn s THR 107 CO 0.08 -0.85 -0.07 0.20 -0.69 0.00 0.00 174.62 173.29 1xwn s ASN 108 N 1.47 4.58 0.00 3.53 0.01 -1.25 -1.14 114.94 122.14 1xwn s ASN 108 Ca 0.14 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 1xwn s ASN 108 Cb -0.20 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.52 1xwn s ASN 108 CO -0.16 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.21 1xwn n GLY 109 N 0.64 3.20 0.79 0.66 0.00 -1.25 -4.54 105.19 104.70 1xwn n GLY 109 Ca -0.13 -1.80 0.05 0.00 0.00 0.00 0.00 46.02 44.15 1xwn n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xwn n SER 110 N 0.00 1.27 -4.94 1.61 7.64 -1.26 -4.97 113.62 112.97 1xwn n SER 110 Ca 0.00 -2.79 -0.24 0.00 1.01 0.00 0.00 58.87 56.85 1xwn n SER 110 Cb 0.00 -0.38 0.02 0.00 -1.01 0.00 0.00 64.21 62.85 1xwn n SER 110 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xwn s GLN 111 N -1.51 2.92 -0.21 1.43 1.11 -1.26 -4.53 119.66 117.61 1xwn s GLN 111 Ca 0.29 -0.34 -0.10 0.00 0.01 0.00 0.00 55.36 55.21 1xwn s GLN 111 Cb 0.29 -2.43 0.08 0.00 -1.01 0.00 0.00 33.01 29.93 1xwn s GLN 111 CO -0.07 -0.51 0.49 -0.59 0.01 0.00 0.00 175.29 174.62 1xwn s PHE 112 N -2.76 -0.81 -0.05 0.91 -0.71 -1.22 -3.28 117.98 110.06 1xwn s PHE 112 Ca 0.52 1.61 0.05 0.00 -1.04 0.00 0.00 56.93 58.06 1xwn s PHE 112 Cb -0.10 0.40 -0.00 0.00 -1.21 0.00 0.00 43.02 42.10 1xwn s PHE 112 CO 0.41 -0.44 -0.19 -0.59 -1.34 0.00 0.00 175.22 173.07 1xwn s PHE 113 N 1.80 1.89 -0.23 3.49 -0.71 -1.22 0.55 117.98 123.56 1xwn s PHE 113 Ca -0.08 -0.56 -0.06 0.00 -1.04 0.00 0.00 56.93 55.20 1xwn s PHE 113 Cb -0.09 -1.26 -0.02 0.00 -1.21 0.00 0.00 43.02 40.44 1xwn s PHE 113 CO -0.15 -0.18 0.02 0.54 -1.34 0.00 0.00 175.22 174.11 1xwn s VAL 114 N 0.01 3.99 -0.25 -2.49 0.11 -1.08 -3.00 120.40 117.68 1xwn s VAL 114 Ca -0.04 -0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 58.43 1xwn s VAL 114 Cb -0.12 -2.83 0.01 0.00 -1.53 0.00 0.00 36.38 31.90 1xwn s VAL 114 CO 0.03 0.39 1.03 0.42 -3.33 0.00 0.00 175.10 173.64 1xwn s THR 115 N 1.38 4.65 -1.40 5.04 -4.23 -1.07 -2.81 115.64 117.19 1xwn s THR 115 Ca 0.05 1.91 0.22 0.00 -1.18 0.00 0.00 61.69 62.69 1xwn s THR 115 Cb -0.15 -4.32 -0.09 0.00 1.34 0.00 0.00 72.50 69.29 1xwn s THR 115 CO 0.01 -0.25 1.08 0.00 -0.54 0.00 0.00 174.62 174.93 1xwn n LEU 116 N 6.44 1.28 -4.05 4.79 -0.00 -0.47 0.61 117.00 125.59 1xwn n LEU 116 Ca 0.11 -0.50 -0.14 0.00 -0.00 0.00 0.00 56.01 55.48 1xwn n LEU 116 Cb 0.46 -0.04 -0.12 0.00 -0.00 0.00 0.00 43.42 43.72 1xwn n LEU 116 CO 0.53 0.27 -0.41 0.00 -0.00 0.00 0.00 177.39 177.79 1xwn s ALA 117 N -2.79 0.59 0.19 1.47 0.00 -1.16 -4.63 121.76 115.43 1xwn s ALA 117 Ca 0.13 -0.70 -0.33 0.00 0.00 0.00 0.00 51.96 51.07 1xwn s ALA 117 Cb 0.17 0.01 -0.14 0.00 0.00 0.00 0.00 23.12 23.16 1xwn s ALA 117 CO 0.72 0.01 1.44 -2.30 0.00 0.00 0.00 175.76 175.63 1xwn n PRO 118 N 1.69 1.92 -3.48 0.00 -0.02 -1.24 -4.77 135.00 129.09 1xwn n PRO 118 Ca -0.21 0.69 -0.19 0.00 -2.02 0.00 0.00 63.50 61.77 1xwn n PRO 118 Cb 0.55 -2.37 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 1xwn n PRO 118 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xwn s THR 119 N 0.32 -0.31 -0.15 3.45 -4.23 -1.25 -5.01 115.64 108.47 1xwn s THR 119 Ca 0.74 -0.23 0.15 0.00 -1.18 0.00 0.00 61.69 61.17 1xwn s THR 119 Cb -0.71 -0.75 -0.24 0.00 1.34 0.00 0.00 72.50 72.14 1xwn s THR 119 CO 0.45 -0.29 0.26 0.00 -0.54 0.00 0.00 174.62 174.50 1xwn n GLN 120 N 5.31 0.67 -0.32 3.99 6.02 -1.26 -3.73 117.38 128.06 1xwn n GLN 120 Ca -0.05 0.10 -0.04 0.00 -0.01 0.00 0.00 57.00 57.00 1xwn n GLN 120 Cb 0.48 -1.61 0.08 0.00 1.02 0.00 0.00 30.24 30.21 1xwn n GLN 120 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1xwn h TRP 121 N 0.00 1.15 -0.04 1.08 0.09 -1.95 -2.28 115.95 114.00 1xwn h TRP 121 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.51 1xwn h TRP 121 Cb 2.16 -0.37 0.00 0.00 0.08 0.00 0.00 29.16 31.03 1xwn h TRP 121 CO 0.00 0.77 0.00 1.47 0.09 0.00 0.00 178.44 180.78 1xwn n LEU 122 N -4.41 1.92 -4.58 0.11 -0.00 -1.26 -4.80 117.00 103.98 1xwn n LEU 122 Ca 0.09 -0.66 -0.17 0.00 -0.00 0.00 0.00 56.01 55.28 1xwn n LEU 122 Cb 0.07 -0.01 -0.10 0.00 -0.00 0.00 0.00 43.42 43.37 1xwn n LEU 122 CO 0.38 0.33 1.15 -0.62 -0.00 0.00 0.00 177.39 178.63 1xwn s ASP 123 N -1.96 3.67 0.00 1.45 -1.08 -0.86 -0.99 116.67 116.90 1xwn s ASP 123 Ca 0.35 -0.98 0.00 0.00 -0.52 0.00 0.00 52.55 51.40 1xwn s ASP 123 Cb 0.21 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1xwn s ASP 123 CO 0.32 -4.48 0.00 0.61 0.52 0.00 0.00 175.17 172.14 1xwn n GLY 124 N 6.16 1.08 0.36 2.66 0.00 -1.26 -4.97 105.19 109.23 1xwn n GLY 124 Ca 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 1xwn n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwn h LYS 125 N 0.00 -0.71 -6.76 1.61 1.57 -1.39 -3.44 116.57 107.45 1xwn h LYS 125 Ca 0.00 0.05 -0.49 0.00 -1.87 0.00 0.00 60.65 58.34 1xwn h LYS 125 Cb 0.00 0.16 0.04 0.00 0.08 0.00 0.00 32.23 32.51 1xwn h LYS 125 CO 0.00 -0.47 -0.04 -1.01 -0.57 0.00 0.00 179.45 177.36 1xwn s HIS 126 N -6.02 1.32 0.23 -1.35 3.76 -1.26 -5.01 115.29 106.96 1xwn s HIS 126 Ca -0.17 -0.66 0.07 0.00 -0.15 0.00 0.00 55.06 54.16 1xwn s HIS 126 Cb 0.05 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 1xwn s HIS 126 CO 0.63 -1.34 0.12 0.99 -0.85 0.00 0.00 174.74 174.29 1xwn s THR 127 N -2.80 4.15 0.72 1.30 2.01 -1.05 -5.00 115.64 114.97 1xwn s THR 127 Ca 0.63 -1.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.13 1xwn s THR 127 Cb -0.05 -3.21 0.15 0.00 0.01 0.00 0.00 72.50 69.40 1xwn s THR 127 CO 0.41 -0.29 0.98 0.00 -0.69 0.00 0.00 174.62 175.02 1xwn n ILE 128 N -0.88 0.00 0.00 1.82 3.06 -1.26 0.13 119.36 122.23 1xwn n ILE 128 Ca -0.08 -1.37 0.00 0.00 -2.50 0.00 0.00 62.75 58.81 1xwn n ILE 128 Cb 0.57 -1.03 0.00 0.00 0.54 0.00 0.00 39.64 39.72 1xwn n ILE 128 CO 0.00 0.00 0.00 2.22 -2.50 0.00 0.00 176.55 176.27 1xwn n PHE 129 N -2.92 -0.01 -4.06 9.51 1.16 -0.99 -3.50 117.46 116.65 1xwn n PHE 129 Ca 0.15 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.58 1xwn n PHE 129 Cb 0.55 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.39 1xwn n PHE 129 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1xwn s GLY 130 N -1.04 1.48 0.08 4.97 0.00 0.17 -3.35 107.32 109.64 1xwn s GLY 130 Ca 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.23 1xwn s GLY 130 CO 0.00 -0.95 -0.06 -1.60 0.00 0.00 0.00 173.10 170.50 1xwn s ARG 131 N -2.78 0.73 -0.67 2.90 3.52 -0.01 -0.59 118.95 122.06 1xwn s ARG 131 Ca 0.29 -1.22 0.03 0.00 -0.13 0.00 0.00 55.73 54.70 1xwn s ARG 131 Cb -0.01 -0.11 0.16 0.00 -1.56 0.00 0.00 34.95 33.43 1xwn s ARG 131 CO 0.21 -0.03 0.45 0.08 -0.81 0.00 0.00 175.30 175.20 1xwn s VAL 132 N -3.38 3.06 -0.09 7.11 1.01 -1.05 -0.78 120.40 126.28 1xwn s VAL 132 Ca 0.07 -3.83 -0.13 0.00 0.00 0.00 0.00 61.98 58.10 1xwn s VAL 132 Cb 0.04 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.30 1xwn s VAL 132 CO -0.05 -0.94 0.43 0.00 0.00 0.00 0.00 175.10 174.54 1xwn s GLN 134 N -2.33 2.70 0.00 0.00 0.74 -1.25 -4.47 119.66 115.05 1xwn s GLN 134 Ca -0.08 -2.31 0.00 0.00 0.05 0.00 0.00 55.36 53.02 1xwn s GLN 134 Cb -0.00 -3.89 0.00 0.00 1.10 0.00 0.00 33.01 30.21 1xwn s GLN 134 CO 0.28 -1.19 0.00 0.41 -0.55 0.00 0.00 175.29 174.24 1xwn n GLY 135 N 3.95 0.15 0.47 2.59 0.00 -1.26 0.85 105.19 111.94 1xwn n GLY 135 Ca 0.05 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.38 1xwn n GLY 135 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xwn h ILE 136 N 0.00 0.36 -0.44 -0.61 2.10 -1.78 0.98 117.51 118.12 1xwn h ILE 136 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1xwn h ILE 136 Cb 0.00 0.15 -0.02 0.00 -1.09 0.00 0.00 36.82 35.86 1xwn h ILE 136 CO 0.00 0.04 0.28 1.23 -1.08 0.00 0.00 178.15 178.61 1xwn h GLY 137 N 0.20 0.63 1.64 8.18 0.00 -1.94 0.15 103.07 111.92 1xwn h GLY 137 Ca 0.67 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 1xwn h GLY 137 CO -0.25 0.24 0.09 1.98 0.00 0.00 0.00 176.54 178.60 1xwn h MET 138 N 0.59 0.47 0.01 4.80 1.85 -1.17 -2.30 114.93 119.17 1xwn h MET 138 Ca 0.16 -0.07 -0.22 0.00 -0.61 0.00 0.00 59.70 58.96 1xwn h MET 138 Cb -0.03 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 31.91 1xwn h MET 138 CO -0.03 0.43 -0.95 0.28 -0.40 0.00 0.00 176.91 176.24 1xwn h VAL 139 N 0.46 1.43 -0.13 -5.77 2.07 -1.17 -3.23 116.25 109.92 1xwn h VAL 139 Ca 0.11 -2.53 0.04 0.00 0.82 0.00 0.00 66.70 65.14 1xwn h VAL 139 Cb 0.17 2.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 1xwn h VAL 139 CO -0.01 0.75 -0.13 0.78 0.02 0.00 0.00 177.57 178.98 1xwn h ASN 140 N 0.19 -0.41 -0.80 0.57 2.35 -0.15 -1.67 115.58 115.67 1xwn h ASN 140 Ca -0.08 0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1xwn h ASN 140 Cb 1.59 0.20 -0.05 0.00 0.05 0.00 0.00 38.32 40.11 1xwn h ASN 140 CO 0.16 -0.17 0.52 0.08 -1.65 0.00 0.00 177.43 176.37 1xwn h ARG 141 N -0.16 0.86 -0.02 0.81 0.11 -1.60 -0.24 114.38 114.14 1xwn h ARG 141 Ca 0.09 -0.05 0.01 0.00 0.10 0.00 0.00 59.98 60.12 1xwn h ARG 141 Cb 0.29 -0.19 -0.00 0.00 1.11 0.00 0.00 29.97 31.18 1xwn h ARG 141 CO -0.22 0.57 0.02 0.28 0.10 0.00 0.00 179.97 180.71 1xwn h VAL 142 N 0.88 0.83 0.01 0.08 2.07 -1.33 0.29 116.25 119.09 1xwn h VAL 142 Ca 0.34 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.57 1xwn h VAL 142 Cb 0.21 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1xwn h VAL 142 CO -0.12 0.00 -1.63 1.23 0.02 0.00 0.00 177.57 177.07 1xwn h GLY 143 N 0.00 0.03 2.00 2.17 0.00 -0.74 -3.35 103.07 103.19 1xwn h GLY 143 Ca 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1xwn h GLY 143 CO -0.00 0.08 -0.36 -0.33 0.00 0.00 0.00 176.54 175.93 1xwn h MET 144 N 0.01 0.00 -7.03 4.80 2.86 -0.49 -3.36 114.93 111.72 1xwn h MET 144 Ca -0.26 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 56.99 1xwn h MET 144 Cb 1.99 0.00 0.22 0.00 0.06 0.00 0.00 31.60 33.86 1xwn h MET 144 CO 0.09 0.36 -0.11 0.14 1.06 0.00 0.00 176.91 178.45 1xwn s VAL 145 N -3.26 1.38 0.04 -2.22 -7.23 0.02 -4.94 120.40 104.19 1xwn s VAL 145 Ca 0.03 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.90 1xwn s VAL 145 Cb 0.08 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 1xwn s VAL 145 CO 0.70 0.00 1.08 -0.70 -0.31 0.00 0.00 175.10 175.87 1xwn s GLU 146 N -4.87 4.51 0.45 4.82 2.12 -1.26 -5.03 118.70 119.44 1xwn s GLU 146 Ca 0.68 1.58 0.05 0.00 0.36 0.00 0.00 54.97 57.65 1xwn s GLU 146 Cb -0.17 -3.40 -0.06 0.00 0.26 0.00 0.00 34.13 30.77 1xwn s GLU 146 CO 0.60 -0.12 0.01 0.95 -0.54 0.00 0.00 175.26 176.16 1xwn s THR 147 N 0.94 1.71 0.10 -1.70 -4.23 -1.26 -2.04 115.64 109.15 1xwn s THR 147 Ca 0.55 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1xwn s THR 147 Cb -0.25 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 70.91 1xwn s THR 147 CO 0.29 0.00 0.13 -3.20 -0.54 0.00 0.00 174.62 171.30 1xwn n ASN 148 N -1.08 0.04 -1.68 3.99 2.85 0.12 -4.77 115.26 114.73 1xwn n ASN 148 Ca -0.10 -1.07 -0.11 0.00 -0.11 0.00 0.00 54.58 53.19 1xwn n ASN 148 Cb 0.67 -0.10 0.13 0.00 1.24 0.00 0.00 39.78 41.73 1xwn n ASN 148 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1xwn n SER 149 N -3.07 3.54 0.00 1.20 7.64 -1.26 -4.57 113.62 117.10 1xwn n SER 149 Ca 0.02 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 56.99 1xwn n SER 149 Cb 0.06 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1xwn n SER 149 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwn n GLN 150 N -0.35 0.00 -2.06 1.43 6.02 -1.26 -5.05 117.38 116.12 1xwn n GLN 150 Ca 0.33 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.31 1xwn n GLN 150 Cb 1.15 0.00 0.04 0.00 1.02 0.00 0.00 30.24 32.45 1xwn n GLN 150 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xwn n ASP 151 N -2.18 -0.67 -4.25 1.08 -0.08 -1.26 -4.97 116.55 104.21 1xwn n ASP 151 Ca 0.00 -1.51 -0.33 0.00 -1.51 0.00 0.00 54.79 51.43 1xwn n ASP 151 Cb 0.00 0.39 -0.15 0.00 2.34 0.00 0.00 41.12 43.70 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1xwn s ARG 152 N 0.05 3.21 -0.09 -0.67 6.06 -1.26 -3.99 118.95 122.26 1xwn s ARG 152 Ca 0.04 -0.74 -0.30 0.00 -2.50 0.00 0.00 55.73 52.23 1xwn s ARG 152 Cb 0.16 -2.68 -0.04 0.00 0.06 0.00 0.00 34.95 32.45 1xwn s ARG 152 CO -0.04 -0.05 1.56 -1.25 -2.50 0.00 0.00 175.30 173.01 1xwn s PRO 153 N 0.98 4.17 0.21 5.12 0.04 -1.26 0.14 135.00 144.39 1xwn s PRO 153 Ca -0.02 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.08 1xwn s PRO 153 Cb -0.15 -3.94 0.15 0.00 0.04 0.00 0.00 34.50 30.61 1xwn s PRO 153 CO -0.03 -0.84 1.49 0.28 0.04 0.00 0.00 177.00 177.94 1xwn h VAL 154 N 5.59 1.42 -1.71 -0.36 2.07 -1.71 -3.45 116.25 118.11 1xwn h VAL 154 Ca -0.36 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 64.96 1xwn h VAL 154 Cb 1.16 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1xwn h VAL 154 CO 0.96 0.65 0.00 0.47 0.02 0.00 0.00 177.57 179.67 1xwn n ASP 155 N -3.80 -0.01 -4.12 0.57 9.92 -1.25 -5.06 116.55 112.80 1xwn n ASP 155 Ca -0.03 -0.71 -0.33 0.00 -0.53 0.00 0.00 54.79 53.19 1xwn n ASP 155 Cb 0.69 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 41.02 1xwn n ASP 155 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1xwn s ASP 156 N -1.01 4.21 -0.06 -2.24 1.11 -1.26 -5.09 116.67 112.33 1xwn s ASP 156 Ca 0.00 -1.14 0.00 0.00 0.18 0.00 0.00 52.55 51.60 1xwn s ASP 156 Cb 0.00 -1.58 0.02 0.00 1.07 0.00 0.00 42.92 42.44 1xwn s ASP 156 CO 0.00 -0.15 -0.05 -0.69 1.18 0.00 0.00 175.17 175.47 1xwn s VAL 157 N 1.20 0.61 0.33 -1.27 1.01 -1.26 -4.75 120.40 116.27 1xwn s VAL 157 Ca -0.04 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 1xwn s VAL 157 Cb -0.18 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.58 1xwn s VAL 157 CO -0.06 0.26 0.75 -1.59 0.00 0.00 0.00 175.10 174.46 1xwn s LYS 158 N 1.21 1.99 -0.11 2.72 0.00 -1.26 -4.03 119.74 120.25 1xwn s LYS 158 Ca -0.06 -1.20 -0.02 0.00 0.00 0.00 0.00 55.97 54.68 1xwn s LYS 158 Cb -0.14 0.61 -0.03 0.00 0.00 0.00 0.00 37.83 38.27 1xwn s LYS 158 CO -0.02 -0.92 -0.02 0.42 0.00 0.00 0.00 175.35 174.81 1xwn s ILE 159 N -3.19 4.09 -0.14 3.79 1.01 0.02 -0.12 121.20 126.66 1xwn s ILE 159 Ca 0.13 -0.31 0.08 0.00 0.00 0.00 0.00 60.65 60.55 1xwn s ILE 159 Cb -0.05 -2.74 -0.14 0.00 0.01 0.00 0.00 42.46 39.53 1xwn s ILE 159 CO 0.09 0.56 -0.02 2.30 0.00 0.00 0.00 174.94 177.87 1xwn n ILE 160 N 2.74 0.90 -3.54 2.92 -5.35 -1.15 -3.02 119.36 112.86 1xwn n ILE 160 Ca -0.18 -0.48 -0.07 0.00 -0.27 0.00 0.00 62.75 61.75 1xwn n ILE 160 Cb 0.53 -0.80 -0.02 0.00 -1.74 0.00 0.00 39.64 37.61 1xwn n ILE 160 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1xwn s LYS 161 N -2.32 0.60 -0.13 6.28 -2.85 -0.62 -4.65 119.74 116.05 1xwn s LYS 161 Ca -0.12 -0.20 -0.09 0.00 -1.00 0.00 0.00 55.97 54.56 1xwn s LYS 161 Cb 0.04 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 36.13 1xwn s LYS 161 CO 0.48 -0.26 0.32 0.00 0.10 0.00 0.00 175.35 176.00 1xwn s ALA 162 N -2.71 -0.80 -0.10 0.59 0.00 -1.26 -0.58 121.76 116.91 1xwn s ALA 162 Ca 0.06 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 1xwn s ALA 162 Cb -0.01 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.50 1xwn s ALA 162 CO -0.07 -0.19 0.41 1.52 0.00 0.00 0.00 175.76 177.44 1xwn s TYR 163 N 0.72 -0.39 0.48 0.00 1.13 -0.15 -4.83 117.35 114.31 1xwn s TYR 163 Ca -0.04 0.83 -0.18 0.00 -1.41 0.00 0.00 57.07 56.26 1xwn s TYR 163 Cb -0.06 0.16 -0.09 0.00 -1.10 0.00 0.00 41.96 40.88 1xwn s TYR 163 CO -0.05 -0.33 0.98 -1.25 -2.51 0.00 0.00 175.55 172.39 1xwn s PRO 164 N -0.49 4.03 0.64 -3.49 0.04 -1.26 -0.81 135.00 133.66 1xwn s PRO 164 Ca -0.06 1.04 -0.18 0.00 0.04 0.00 0.00 61.00 61.85 1xwn s PRO 164 Cb -0.03 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1xwn s PRO 164 CO 0.03 -0.20 1.24 -1.12 0.04 0.00 0.00 177.00 176.98 1xwn s SER 165 N -2.67 4.79 0.00 6.66 0.01 -0.76 -4.76 113.70 116.96 1xwn s SER 165 Ca 0.61 2.46 0.00 0.00 1.31 0.00 0.00 55.95 60.32 1xwn s SER 165 Cb -0.10 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1xwn s SER 165 CO 0.24 -1.87 0.41 0.61 0.41 0.00 0.00 173.24 173.04