#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbx s LEU 3 N 0.00 4.56 0.28 2.46 1.43 -1.26 -4.94 118.68 121.20 1xbx s LEU 3 Ca 0.00 2.22 -0.30 0.00 -1.03 0.00 0.00 54.13 55.03 1xbx s LEU 3 Cb 0.00 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.45 1xbx s LEU 3 CO 0.00 -0.10 1.23 -2.65 0.23 0.00 0.00 176.35 175.06 1xbx n PRO 4 N 1.22 1.77 -2.16 1.29 -0.02 -1.25 -4.96 135.00 130.88 1xbx n PRO 4 Ca -0.01 0.62 -0.27 0.00 -2.02 0.00 0.00 63.50 61.82 1xbx n PRO 4 Cb 0.45 -2.16 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1xbx n PRO 4 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1xbx s MET 5 N -1.16 2.57 -0.15 -0.52 -1.94 -0.34 -4.87 119.30 112.89 1xbx s MET 5 Ca 0.62 0.04 -0.00 0.00 -1.71 0.00 0.00 55.69 54.64 1xbx s MET 5 Cb -0.66 -2.15 -0.01 0.00 2.01 0.00 0.00 34.83 34.02 1xbx s MET 5 CO 0.57 -1.04 -0.13 -1.17 -0.01 0.00 0.00 175.02 173.23 1xbx s LEU 6 N -5.22 2.64 -0.16 -0.03 2.96 -1.26 -0.92 118.68 116.69 1xbx s LEU 6 Ca 0.58 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1xbx s LEU 6 Cb -0.11 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.97 1xbx s LEU 6 CO 0.47 0.11 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.90 1xbx s GLN 7 N 0.67 3.27 -0.14 1.98 0.74 -0.17 -0.67 119.66 125.34 1xbx s GLN 7 Ca -0.07 -0.72 -0.17 0.00 0.05 0.00 0.00 55.36 54.45 1xbx s GLN 7 Cb -0.15 -2.68 -0.04 0.00 1.10 0.00 0.00 33.01 31.23 1xbx s GLN 7 CO 0.02 0.02 0.43 0.54 -0.55 0.00 0.00 175.29 175.74 1xbx s VAL 8 N 0.84 5.22 -0.30 1.34 0.11 -0.57 -1.07 120.40 125.96 1xbx s VAL 8 Ca -0.04 0.83 -0.20 0.00 -2.93 0.00 0.00 61.98 59.64 1xbx s VAL 8 Cb -0.15 -3.76 -0.01 0.00 -1.53 0.00 0.00 36.38 30.92 1xbx s VAL 8 CO -0.00 0.33 0.62 0.00 -3.33 0.00 0.00 175.10 172.71 1xbx s ALA 9 N 0.70 3.54 -0.98 1.54 0.00 -0.87 -0.85 121.76 124.83 1xbx s ALA 9 Ca 0.23 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.37 1xbx s ALA 9 Cb -0.15 -3.08 0.16 0.00 0.00 0.00 0.00 23.12 20.05 1xbx s ALA 9 CO 0.08 -1.04 1.14 -0.51 0.00 0.00 0.00 175.76 175.43 1xbx s LEU 10 N 2.58 5.31 -0.77 0.00 1.43 0.14 -4.52 118.68 122.86 1xbx s LEU 10 Ca 0.25 -2.37 -0.02 0.00 -1.03 0.00 0.00 54.13 50.96 1xbx s LEU 10 Cb -0.15 -2.37 0.39 0.00 0.03 0.00 0.00 46.19 44.09 1xbx s LEU 10 CO 0.11 -0.91 1.99 0.47 0.23 0.00 0.00 176.35 178.24 1xbx n ASP 11 N 5.91 7.46 -4.89 2.29 8.00 -1.26 -0.81 116.55 133.24 1xbx n ASP 11 Ca 0.25 -3.82 -0.30 0.00 0.71 0.00 0.00 54.79 51.64 1xbx n ASP 11 Cb 0.47 -1.01 -0.04 0.00 -0.02 0.00 0.00 41.12 40.53 1xbx n ASP 11 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1xbx s ASN 12 N -1.45 6.50 0.27 -2.24 0.01 -1.26 -4.72 114.94 112.04 1xbx s ASN 12 Ca 0.56 0.86 0.24 0.00 -0.71 0.00 0.00 52.86 53.80 1xbx s ASN 12 Cb 0.46 -2.20 0.32 0.00 0.41 0.00 0.00 41.25 40.24 1xbx s ASN 12 CO -0.27 -0.23 1.42 1.56 -1.51 0.00 0.00 177.10 178.07 1xbx h GLN 13 N 1.71 0.00 -4.34 -0.60 4.20 -1.93 -2.69 115.11 111.47 1xbx h GLN 13 Ca -0.47 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.05 1xbx h GLN 13 Cb 1.19 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.79 1xbx h GLN 13 CO 0.66 0.00 -0.70 0.95 -0.67 0.00 0.00 178.83 179.07 1xbx s THR 14 N -3.23 0.36 0.25 -0.54 -4.23 -1.26 -4.22 115.64 102.77 1xbx s THR 14 Ca 0.05 -1.52 -0.06 0.00 -1.18 0.00 0.00 61.69 58.98 1xbx s THR 14 Cb 0.09 -1.13 0.24 0.00 1.34 0.00 0.00 72.50 73.05 1xbx s THR 14 CO 0.70 -0.76 1.90 0.24 -0.54 0.00 0.00 174.62 176.17 1xbx h MET 15 N 3.66 1.29 -0.54 3.99 2.86 -1.95 -2.46 114.93 121.79 1xbx h MET 15 Ca -0.34 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.12 1xbx h MET 15 Cb 1.17 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1xbx h MET 15 CO 0.56 0.89 0.06 0.38 1.06 0.00 0.00 176.91 179.85 1xbx h ASP 16 N 1.32 0.83 -0.45 1.22 2.03 -1.99 -0.30 116.42 119.08 1xbx h ASP 16 Ca 0.35 -0.19 -0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1xbx h ASP 16 Cb -0.09 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.17 1xbx h ASP 16 CO -0.07 0.86 0.27 -1.28 -1.03 0.00 0.00 179.24 177.99 1xbx h SER 17 N 0.82 0.54 -0.97 4.15 0.87 -1.93 -2.20 113.55 114.82 1xbx h SER 17 Ca 0.17 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1xbx h SER 17 Cb 0.41 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 1xbx h SER 17 CO 0.01 0.44 0.64 0.00 -0.53 0.00 0.00 176.83 177.39 1xbx h ALA 18 N 1.13 1.27 0.00 6.23 0.00 -0.87 -2.63 119.26 124.38 1xbx h ALA 18 Ca 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1xbx h ALA 18 Cb -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1xbx h ALA 18 CO -0.03 0.57 -0.32 1.88 0.00 0.00 0.00 179.25 181.35 1xbx h TYR 19 N 1.27 0.00 -0.28 0.00 0.05 -0.83 -0.30 116.97 116.89 1xbx h TYR 19 Ca 0.37 0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.22 1xbx h TYR 19 Cb -0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 1xbx h TYR 19 CO -0.00 0.32 0.19 0.93 -1.05 0.00 0.00 178.16 178.55 1xbx h GLU 20 N 0.00 0.09 0.00 4.88 5.08 -1.01 -1.03 114.58 122.60 1xbx h GLU 20 Ca -0.00 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1xbx h GLU 20 Cb 0.60 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xbx h GLU 20 CO 0.04 0.06 -0.58 1.15 -1.00 0.00 0.00 179.01 178.68 1xbx h THR 21 N 0.10 1.05 -0.07 1.13 2.02 -1.25 -3.39 112.91 112.50 1xbx h THR 21 Ca 0.13 -1.99 -0.01 0.00 0.77 0.00 0.00 66.41 65.30 1xbx h THR 21 Cb 0.39 2.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1xbx h THR 21 CO -0.01 0.36 -0.01 0.71 0.37 0.00 0.00 175.52 176.94 1xbx h THR 22 N -1.00 1.05 0.00 3.16 1.35 -0.93 -1.71 112.91 114.84 1xbx h THR 22 Ca -0.15 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.49 1xbx h THR 22 Cb 0.97 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1xbx h THR 22 CO -0.09 0.07 -0.09 0.08 -0.25 0.00 0.00 175.52 175.24 1xbx h ARG 23 N 0.10 0.00 0.07 4.72 0.11 -1.39 -1.69 114.38 116.29 1xbx h ARG 23 Ca 0.02 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.86 1xbx h ARG 23 Cb 0.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 1xbx h ARG 23 CO 0.00 0.09 -1.27 -0.07 0.10 0.00 0.00 179.97 178.82 1xbx h LEU 24 N 0.00 0.23 -1.87 0.08 3.38 -1.53 -3.44 115.31 112.16 1xbx h LEU 24 Ca -0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1xbx h LEU 24 Cb 0.41 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xbx h LEU 24 CO 0.01 1.54 0.00 2.30 0.09 0.00 0.00 178.44 182.38 1xbx n ILE 25 N -4.11 0.41 -0.30 1.22 -6.64 -0.79 -4.70 119.36 104.45 1xbx n ILE 25 Ca -0.26 -0.71 0.09 0.00 -1.77 0.00 0.00 62.75 60.10 1xbx n ILE 25 Cb 0.80 0.82 0.25 0.00 -1.44 0.00 0.00 39.64 40.07 1xbx n ILE 25 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1xbx h ALA 26 N 0.45 1.33 -0.32 -1.28 0.00 -1.54 0.18 119.26 118.08 1xbx h ALA 26 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xbx h ALA 26 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xbx h ALA 26 CO 0.00 -0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.50 1xbx n GLU 27 N -4.90 1.92 0.00 0.00 -0.58 -1.26 -3.80 120.64 112.01 1xbx n GLU 27 Ca 0.18 -1.40 0.09 0.00 -0.42 0.00 0.00 57.16 55.61 1xbx n GLU 27 Cb 0.48 -1.36 0.02 0.00 -0.57 0.00 0.00 31.44 30.01 1xbx n GLU 27 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1xbx n GLU 28 N 0.63 1.58 -4.36 3.49 -0.58 0.61 -5.00 120.64 117.00 1xbx n GLU 28 Ca 0.15 -1.07 -0.18 0.00 -0.42 0.00 0.00 57.16 55.64 1xbx n GLU 28 Cb 0.36 -1.31 -0.10 0.00 -0.57 0.00 0.00 31.44 29.81 1xbx n GLU 28 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1xbx s VAL 29 N -1.81 1.07 -0.19 2.62 -7.23 -1.11 -4.79 120.40 108.96 1xbx s VAL 29 Ca 0.16 -2.03 -0.05 0.00 -1.81 0.00 0.00 61.98 58.25 1xbx s VAL 29 Cb 0.14 -2.48 -0.21 0.00 0.56 0.00 0.00 36.38 34.39 1xbx s VAL 29 CO 0.36 -0.22 0.07 0.47 -0.31 0.00 0.00 175.10 175.47 1xbx n ASP 30 N -0.49 2.04 -4.21 4.85 8.00 0.15 -4.94 116.55 121.94 1xbx n ASP 30 Ca -0.04 0.10 -0.30 0.00 0.71 0.00 0.00 54.79 55.26 1xbx n ASP 30 Cb 0.65 -0.69 -0.16 0.00 -0.02 0.00 0.00 41.12 40.89 1xbx n ASP 30 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xbx s ILE 31 N -2.53 1.83 -0.40 0.53 1.01 -1.01 -3.85 121.20 116.79 1xbx s ILE 31 Ca -0.29 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.30 1xbx s ILE 31 Cb 0.08 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 41.02 1xbx s ILE 31 CO 0.67 0.51 0.26 -0.63 0.00 0.00 0.00 174.94 175.75 1xbx s ILE 32 N 0.01 4.89 -0.17 2.92 1.01 0.05 -1.52 121.20 128.40 1xbx s ILE 32 Ca -0.07 -0.81 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 1xbx s ILE 32 Cb -0.14 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1xbx s ILE 32 CO 0.04 -0.30 0.50 -0.70 0.00 0.00 0.00 174.94 174.49 1xbx s GLU 33 N 1.61 4.24 -0.66 2.79 2.12 -0.03 -1.20 118.70 127.58 1xbx s GLU 33 Ca 0.03 0.43 -0.26 0.00 0.36 0.00 0.00 54.97 55.53 1xbx s GLU 33 Cb -0.19 -3.52 0.04 0.00 0.26 0.00 0.00 34.13 30.72 1xbx s GLU 33 CO 0.08 -0.04 1.15 0.08 -0.54 0.00 0.00 175.26 175.98 1xbx s VAL 34 N 1.29 4.00 0.87 3.70 1.01 0.41 -0.68 120.40 131.00 1xbx s VAL 34 Ca 0.25 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 1xbx s VAL 34 Cb -0.15 -4.77 0.12 0.00 0.00 0.00 0.00 36.38 31.57 1xbx s VAL 34 CO 0.10 -1.55 1.13 -0.83 0.00 0.00 0.00 175.10 173.95 1xbx s GLY 35 N 3.40 1.68 0.33 4.51 0.00 0.01 -0.81 107.32 116.45 1xbx s GLY 35 Ca 0.34 0.47 0.07 0.00 0.00 0.00 0.00 44.72 45.59 1xbx s GLY 35 CO 0.17 0.87 1.86 -0.84 0.00 0.00 0.00 173.10 175.16 1xbx h THR 36 N -1.63 0.85 -0.60 0.90 2.02 -1.83 0.20 112.91 112.83 1xbx h THR 36 Ca -0.43 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 1xbx h THR 36 Cb 1.26 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1xbx h THR 36 CO 0.45 0.14 0.17 0.40 0.37 0.00 0.00 175.52 177.06 1xbx h ILE 37 N 0.78 1.23 0.05 3.11 1.08 -1.86 -0.19 117.51 121.70 1xbx h ILE 37 Ca 0.47 -0.81 -0.24 0.00 -0.39 0.00 0.00 64.86 63.89 1xbx h ILE 37 Cb 0.66 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1xbx h ILE 37 CO -0.23 0.31 -1.04 0.25 -0.69 0.00 0.00 178.15 176.76 1xbx h LEU 38 N 0.88 0.43 -0.67 1.44 5.85 -0.93 0.22 115.31 122.54 1xbx h LEU 38 Ca 0.20 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1xbx h LEU 38 Cb 0.27 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1xbx h LEU 38 CO -0.01 1.23 0.42 0.00 -0.34 0.00 0.00 178.44 179.74 1xbx h VAL 40 N 0.84 1.40 -0.25 0.00 2.07 -0.97 0.14 116.25 119.48 1xbx h VAL 40 Ca 0.27 -2.24 -0.10 0.00 0.82 0.00 0.00 66.70 65.45 1xbx h VAL 40 Cb -0.00 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1xbx h VAL 40 CO -0.10 0.67 -0.23 1.23 0.02 0.00 0.00 177.57 179.16 1xbx h GLY 41 N 1.41 0.64 0.00 2.17 0.00 -0.62 -3.38 103.07 103.29 1xbx h GLY 41 Ca -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1xbx h GLY 41 CO 0.13 0.58 -0.90 1.18 0.00 0.00 0.00 176.54 177.53 1xbx n GLU 42 N -4.37 1.70 -0.00 4.80 -0.58 -0.25 -4.93 120.64 117.01 1xbx n GLU 42 Ca -0.04 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1xbx n GLU 42 Cb 0.43 -0.98 -0.00 0.00 -0.57 0.00 0.00 31.44 30.32 1xbx n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xbx n GLY 43 N 1.94 -1.94 0.06 0.62 0.00 0.47 -4.39 105.19 101.95 1xbx n GLY 43 Ca -0.00 -1.37 0.10 0.00 0.00 0.00 0.00 46.02 44.75 1xbx n GLY 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xbx n VAL 44 N -0.29 0.81 -0.01 1.61 3.14 -1.26 -1.58 118.33 120.75 1xbx n VAL 44 Ca 0.00 0.18 0.21 0.00 -2.96 0.00 0.00 64.34 61.77 1xbx n VAL 44 Cb 0.00 -1.00 0.71 0.00 -1.06 0.00 0.00 33.84 32.49 1xbx n VAL 44 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 1xbx h ARG 45 N 0.00 0.00 -0.74 1.45 0.11 -1.96 -0.91 114.38 112.34 1xbx h ARG 45 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1xbx h ARG 45 Cb 0.36 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.40 1xbx h ARG 45 CO 0.00 0.00 0.38 0.00 0.10 0.00 0.00 179.97 180.45 1xbx h ALA 46 N 1.68 1.29 0.08 0.08 0.00 -1.55 0.37 119.26 121.21 1xbx h ALA 46 Ca 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xbx h ALA 46 Cb 1.11 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1xbx h ALA 46 CO -0.00 0.57 -0.04 0.28 0.00 0.00 0.00 179.25 180.05 1xbx h VAL 47 N 1.03 1.08 -0.34 0.00 2.07 -1.38 -1.93 116.25 116.79 1xbx h VAL 47 Ca 0.26 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1xbx h VAL 47 Cb 0.06 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1xbx h VAL 47 CO -0.04 0.14 0.16 -0.09 0.02 0.00 0.00 177.57 177.76 1xbx h ARG 48 N -0.37 0.32 -0.26 1.57 2.43 -1.28 -0.71 114.38 116.08 1xbx h ARG 48 Ca -0.01 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1xbx h ARG 48 Cb 0.31 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1xbx h ARG 48 CO 0.02 0.21 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.14 1xbx h ASP 49 N 0.33 0.55 -0.43 -3.80 3.32 -0.95 -1.73 116.42 113.72 1xbx h ASP 49 Ca 0.15 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.69 1xbx h ASP 49 Cb 0.08 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1xbx h ASP 49 CO -0.12 0.83 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.01 1xbx h LEU 50 N 0.28 0.91 -1.06 1.55 3.38 -1.18 -2.22 115.31 116.97 1xbx h LEU 50 Ca 0.06 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1xbx h LEU 50 Cb 0.61 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1xbx h LEU 50 CO 0.04 1.06 -0.01 0.50 0.09 0.00 0.00 178.44 180.11 1xbx h LYS 51 N 0.80 0.65 -0.37 1.13 1.63 -1.09 -1.39 116.57 117.93 1xbx h LYS 51 Ca 0.12 -0.16 -0.08 0.00 -0.85 0.00 0.00 60.65 59.68 1xbx h LYS 51 Cb 0.69 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.22 1xbx h LYS 51 CO 0.05 0.68 -0.12 0.00 -3.45 0.00 0.00 179.45 176.61 1xbx h ALA 52 N 1.38 1.10 -0.09 5.00 0.00 -1.05 -1.32 119.26 124.27 1xbx h ALA 52 Ca 0.12 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1xbx h ALA 52 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xbx h ALA 52 CO 0.02 0.56 -0.64 -0.07 0.00 0.00 0.00 179.25 179.11 1xbx h LEU 53 N 0.60 0.38 -5.61 0.00 3.38 -1.02 -3.38 115.31 109.65 1xbx h LEU 53 Ca 0.10 -0.23 -0.51 0.00 0.09 0.00 0.00 57.88 57.34 1xbx h LEU 53 Cb 0.55 -0.11 -0.41 0.00 0.09 0.00 0.00 40.66 40.78 1xbx h LEU 53 CO 0.03 0.92 -1.01 -1.22 0.09 0.00 0.00 178.44 177.26 1xbx n TYR 54 N -3.87 1.62 0.28 1.13 4.01 -0.56 -4.94 117.16 114.84 1xbx n TYR 54 Ca -0.03 -3.74 0.17 0.00 -0.16 0.00 0.00 57.90 54.14 1xbx n TYR 54 Cb 0.65 -0.42 0.81 0.00 -0.31 0.00 0.00 39.34 40.07 1xbx n TYR 54 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xbx h PRO 55 N 2.97 0.00 0.00 -0.72 0.13 -1.44 -1.82 132.00 131.12 1xbx h PRO 55 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1xbx h PRO 55 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1xbx h PRO 55 CO 0.62 0.05 0.00 -2.39 -0.23 0.00 0.00 178.00 176.05 1xbx n HIS 56 N -3.25 0.17 -3.88 1.56 1.44 -1.26 -4.87 115.22 105.12 1xbx n HIS 56 Ca -0.01 0.05 -0.30 0.00 -2.01 0.00 0.00 57.72 55.45 1xbx n HIS 56 Cb 0.24 -0.58 -0.04 0.00 0.12 0.00 0.00 29.99 29.73 1xbx n HIS 56 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1xbx s LYS 57 N -3.03 3.47 0.02 -1.40 -0.14 -0.68 -5.06 119.74 112.92 1xbx s LYS 57 Ca 0.12 -0.41 -0.30 0.00 -1.36 0.00 0.00 55.97 54.01 1xbx s LYS 57 Cb 0.16 -3.00 -0.07 0.00 -1.68 0.00 0.00 37.83 33.25 1xbx s LYS 57 CO 0.50 0.57 1.52 0.42 -0.76 0.00 0.00 175.35 177.59 1xbx s ILE 58 N -1.58 3.43 -0.18 2.17 1.01 -1.25 -4.95 121.20 119.85 1xbx s ILE 58 Ca 0.36 0.83 -0.02 0.00 0.00 0.00 0.00 60.65 61.82 1xbx s ILE 58 Cb -0.13 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 1xbx s ILE 58 CO 0.28 -0.01 -0.09 -0.69 0.00 0.00 0.00 174.94 174.43 1xbx s VAL 59 N 2.59 3.14 -0.18 2.92 1.01 -1.26 -0.77 120.40 127.84 1xbx s VAL 59 Ca 0.68 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 1xbx s VAL 59 Cb -0.35 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1xbx s VAL 59 CO 0.29 0.47 -0.04 -0.22 0.00 0.00 0.00 175.10 175.60 1xbx s LEU 60 N 1.06 3.11 -0.41 3.92 0.20 -0.34 -0.55 118.68 125.67 1xbx s LEU 60 Ca 0.00 -0.24 -0.18 0.00 0.69 0.00 0.00 54.13 54.41 1xbx s LEU 60 Cb -0.15 -1.77 0.02 0.00 -0.43 0.00 0.00 46.19 43.86 1xbx s LEU 60 CO -0.01 0.09 0.48 0.00 -0.29 0.00 0.00 176.35 176.62 1xbx s ALA 61 N 0.83 3.42 -1.41 5.97 0.00 0.41 -0.44 121.76 130.53 1xbx s ALA 61 Ca -0.01 -1.36 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 1xbx s ALA 61 Cb -0.15 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 19.96 1xbx s ALA 61 CO 0.02 -1.54 2.38 -3.47 0.00 0.00 0.00 175.76 173.15 1xbx n ASP 62 N 5.74 6.83 0.21 0.00 2.03 0.01 -2.58 116.55 128.79 1xbx n ASP 62 Ca -0.06 -2.94 0.10 0.00 0.52 0.00 0.00 54.79 52.41 1xbx n ASP 62 Cb 0.48 -1.49 0.27 0.00 -0.72 0.00 0.00 41.12 39.66 1xbx n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xbx h ALA 63 N 5.21 0.93 -6.38 -1.67 0.00 -1.84 -3.17 119.26 112.34 1xbx h ALA 63 Ca 0.65 -0.13 -0.48 0.00 0.00 0.00 0.00 54.91 54.95 1xbx h ALA 63 Cb 0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xbx h ALA 63 CO 1.66 0.18 -0.88 1.63 0.00 0.00 0.00 179.25 181.84 1xbx n LYS 64 N -3.17 -3.37 -1.68 0.00 5.02 -0.98 -4.82 118.16 109.16 1xbx n LYS 64 Ca 0.02 0.45 -0.45 0.00 -2.02 0.00 0.00 58.31 56.32 1xbx n LYS 64 Cb 0.52 -4.61 -0.04 0.00 -0.02 0.00 0.00 35.03 30.89 1xbx n LYS 64 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1xbx n ILE 65 N -4.35 0.40 0.17 -0.18 5.41 -0.79 -4.08 119.36 115.94 1xbx n ILE 65 Ca -0.28 -0.07 0.10 0.00 1.00 0.00 0.00 62.75 63.49 1xbx n ILE 65 Cb 0.67 -1.95 -0.15 0.00 -0.71 0.00 0.00 39.64 37.50 1xbx n ILE 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xbx n ALA 66 N 5.71 3.09 -3.67 -1.39 0.00 -1.26 -1.15 120.51 121.84 1xbx n ALA 66 Ca 0.19 -0.49 0.02 0.00 0.00 0.00 0.00 53.44 53.16 1xbx n ALA 66 Cb 0.34 -0.70 -0.00 0.00 0.00 0.00 0.00 19.45 19.09 1xbx n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xbx s ASP 67 N -4.04 -0.05 -1.28 0.00 2.15 -1.26 -4.43 116.67 107.76 1xbx s ASP 67 Ca -0.05 -0.15 -0.03 0.00 0.43 0.00 0.00 52.55 52.75 1xbx s ASP 67 Cb 0.13 0.17 0.01 0.00 -0.30 0.00 0.00 42.92 42.93 1xbx s ASP 67 CO 0.83 -0.31 0.97 0.00 -0.17 0.00 0.00 175.17 176.49 1xbx n ALA 68 N -0.55 -1.84 -0.21 3.66 0.00 -1.26 -4.84 120.51 115.47 1xbx n ALA 68 Ca -0.07 0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 1xbx n ALA 68 Cb 0.62 -3.03 0.09 0.00 0.00 0.00 0.00 19.45 17.13 1xbx n ALA 68 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xbx h GLY 69 N -2.06 0.89 1.05 0.00 0.00 -1.89 -0.86 103.07 100.19 1xbx h GLY 69 Ca -0.59 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 46.41 1xbx h GLY 69 CO 0.54 0.10 -0.19 0.50 0.00 0.00 0.00 176.54 177.49 1xbx h LYS 70 N 0.57 0.89 0.22 4.80 1.57 -1.82 -1.95 116.57 120.85 1xbx h LYS 70 Ca 0.28 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1xbx h LYS 70 Cb 0.22 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1xbx h LYS 70 CO -0.20 1.03 -0.11 0.82 -0.57 0.00 0.00 179.45 180.42 1xbx h ILE 71 N 0.71 0.85 -0.63 1.86 2.04 -1.83 -1.51 117.51 119.00 1xbx h ILE 71 Ca 0.10 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 1xbx h ILE 71 Cb 0.76 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1xbx h ILE 71 CO 0.06 0.14 0.14 -0.07 0.00 0.00 0.00 178.15 178.42 1xbx h LEU 72 N -0.64 0.96 -0.60 1.44 3.38 -1.27 -1.66 115.31 116.92 1xbx h LEU 72 Ca -0.03 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1xbx h LEU 72 Cb 0.46 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1xbx h LEU 72 CO 0.05 0.96 0.11 0.77 0.09 0.00 0.00 178.44 180.42 1xbx h SER 73 N 0.93 0.95 -0.62 -0.43 4.64 -1.40 -2.47 113.55 115.14 1xbx h SER 73 Ca 0.19 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1xbx h SER 73 Cb 0.38 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1xbx h SER 73 CO 0.01 0.96 0.34 -0.09 -0.87 0.00 0.00 176.83 177.17 1xbx h ARG 74 N 0.90 0.86 -0.66 4.77 2.43 -1.06 0.14 114.38 121.75 1xbx h ARG 74 Ca 0.18 -0.10 0.11 0.00 -0.81 0.00 0.00 59.98 59.36 1xbx h ARG 74 Cb 0.41 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 29.71 1xbx h ARG 74 CO 0.01 0.66 0.25 0.52 -1.51 0.00 0.00 179.97 179.89 1xbx h MET 75 N 0.84 0.41 -0.16 0.20 2.86 -1.15 0.27 114.93 118.19 1xbx h MET 75 Ca 0.22 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1xbx h MET 75 Cb 0.04 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1xbx h MET 75 CO -0.03 0.27 -0.20 0.00 1.06 0.00 0.00 176.91 178.00 1xbx h PHE 77 N 0.05 0.70 0.00 0.00 0.04 -0.56 -2.06 116.94 115.11 1xbx h PHE 77 Ca 0.02 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.62 1xbx h PHE 77 Cb 0.76 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.73 1xbx h PHE 77 CO 0.09 0.78 -0.12 0.93 -0.60 0.00 0.00 178.31 179.38 1xbx h GLU 78 N 0.56 0.00 -0.09 1.51 5.08 -0.48 -0.65 114.58 120.51 1xbx h GLU 78 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1xbx h GLU 78 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1xbx h GLU 78 CO 0.05 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.18 1xbx n ALA 79 N -2.36 2.53 -1.21 3.43 0.00 -0.87 -4.92 120.51 117.11 1xbx n ALA 79 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.19 1xbx n ALA 79 Cb 0.22 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 1xbx n ALA 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xbx n ASN 80 N -0.29 -2.68 -4.69 0.00 5.03 -0.25 -2.68 115.26 109.70 1xbx n ASN 80 Ca 0.09 0.01 -0.38 0.00 0.87 0.00 0.00 54.58 55.17 1xbx n ASN 80 Cb 0.12 -0.61 0.05 0.00 -1.02 0.00 0.00 39.78 38.32 1xbx n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xbx n ALA 81 N 0.61 0.91 0.00 5.41 0.00 -0.83 -4.89 120.51 121.71 1xbx n ALA 81 Ca -0.01 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 1xbx n ALA 81 Cb 0.11 -2.24 -0.14 0.00 0.00 0.00 0.00 19.45 17.18 1xbx n ALA 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xbx h ASP 82 N 0.94 0.39 -4.52 0.00 3.32 -1.17 -3.43 116.42 111.94 1xbx h ASP 82 Ca -0.49 -0.91 -0.36 0.00 0.02 0.00 0.00 57.03 55.28 1xbx h ASP 82 Cb 1.33 -0.13 -0.22 0.00 0.22 0.00 0.00 39.33 40.53 1xbx h ASP 82 CO 0.54 1.82 -0.76 0.26 -1.72 0.00 0.00 179.24 179.38 1xbx s TRP 83 N -2.54 0.95 0.08 4.55 0.51 -1.04 -1.64 118.94 119.81 1xbx s TRP 83 Ca -0.22 -0.43 0.04 0.00 -2.12 0.00 0.00 56.10 53.36 1xbx s TRP 83 Cb 0.06 -0.55 -0.03 0.00 -0.81 0.00 0.00 33.47 32.14 1xbx s TRP 83 CO 0.76 -0.01 -0.11 0.14 -0.51 0.00 0.00 176.95 177.22 1xbx s VAL 84 N -1.16 0.94 -0.00 4.03 -7.23 -0.85 -0.45 120.40 115.68 1xbx s VAL 84 Ca -0.04 -1.40 -0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1xbx s VAL 84 Cb -0.09 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1xbx s VAL 84 CO 0.01 -0.39 0.07 0.42 -0.31 0.00 0.00 175.10 174.90 1xbx s THR 85 N -1.75 4.62 -0.08 5.32 -4.23 -1.07 -1.52 115.64 116.94 1xbx s THR 85 Ca -0.01 -0.45 0.05 0.00 -1.18 0.00 0.00 61.69 60.10 1xbx s THR 85 Cb -0.07 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.65 1xbx s THR 85 CO 0.01 0.35 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.51 1xbx s VAL 86 N -1.18 2.10 0.39 2.29 1.01 -0.12 -1.88 120.40 123.01 1xbx s VAL 86 Ca 0.22 -1.03 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1xbx s VAL 86 Cb -0.12 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 1xbx s VAL 86 CO 0.13 0.56 1.05 -0.51 0.00 0.00 0.00 175.10 176.34 1xbx s ILE 87 N 0.06 3.71 0.52 2.22 1.10 -0.30 -0.48 121.20 128.03 1xbx s ILE 87 Ca -0.10 1.35 0.21 0.00 -0.51 0.00 0.00 60.65 61.60 1xbx s ILE 87 Cb -0.16 -3.71 0.35 0.00 0.15 0.00 0.00 42.46 39.09 1xbx s ILE 87 CO 0.06 0.04 2.05 0.00 -2.11 0.00 0.00 174.94 174.98 1xbx s ALA 90 N -3.00 2.89 0.39 0.00 0.00 -0.78 -4.90 121.76 116.36 1xbx s ALA 90 Ca 0.13 1.36 -0.25 0.00 0.00 0.00 0.00 51.96 53.20 1xbx s ALA 90 Cb 0.17 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 1xbx s ALA 90 CO 0.48 -1.35 1.01 -3.47 0.00 0.00 0.00 175.76 172.43 1xbx n ASP 91 N -0.89 1.26 0.09 0.00 2.03 -1.26 -4.85 116.55 112.93 1xbx n ASP 91 Ca 0.09 1.06 0.17 0.00 0.52 0.00 0.00 54.79 56.64 1xbx n ASP 91 Cb 0.44 -1.34 0.71 0.00 -0.72 0.00 0.00 41.12 40.21 1xbx n ASP 91 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1xbx h ILE 92 N 1.64 0.73 0.00 5.18 6.09 -1.97 0.42 117.51 129.60 1xbx h ILE 92 Ca -0.44 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.03 1xbx h ILE 92 Cb 1.34 0.80 -0.00 0.00 0.47 0.00 0.00 36.82 39.42 1xbx h ILE 92 CO 0.58 0.00 -0.10 0.78 -3.07 0.00 0.00 178.15 176.34 1xbx h ASN 93 N 0.00 0.00 -0.07 2.19 2.35 -1.99 -1.64 115.58 116.42 1xbx h ASN 93 Ca 0.17 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1xbx h ASN 93 Cb 0.73 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.10 1xbx h ASN 93 CO -0.00 0.10 -0.02 0.74 -1.65 0.00 0.00 177.43 176.59 1xbx h THR 94 N 0.00 1.30 -0.81 2.81 2.02 -1.24 0.12 112.91 117.10 1xbx h THR 94 Ca -0.00 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 1xbx h THR 94 Cb 0.55 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 1xbx h THR 94 CO 0.01 0.26 0.38 0.00 0.37 0.00 0.00 175.52 176.55 1xbx h ALA 95 N 0.66 1.05 -0.54 6.16 0.00 -1.46 -1.28 119.26 123.86 1xbx h ALA 95 Ca 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1xbx h ALA 95 Cb 0.43 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1xbx h ALA 95 CO 0.01 0.62 0.18 0.87 0.00 0.00 0.00 179.25 180.92 1xbx h LYS 96 N 1.15 0.83 -0.58 0.00 1.57 -1.26 -1.01 116.57 117.27 1xbx h LYS 96 Ca 0.28 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1xbx h LYS 96 Cb 0.13 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1xbx h LYS 96 CO -0.03 0.75 0.03 0.78 -0.57 0.00 0.00 179.45 180.41 1xbx h GLY 97 N 0.74 1.09 1.04 3.86 0.00 -0.75 -0.91 103.07 108.15 1xbx h GLY 97 Ca 0.17 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 1xbx h GLY 97 CO -0.01 0.72 0.28 0.00 0.00 0.00 0.00 176.54 177.54 1xbx h ALA 98 N 0.98 0.99 -0.71 3.60 0.00 -1.01 -2.37 119.26 120.73 1xbx h ALA 98 Ca 0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1xbx h ALA 98 Cb 0.52 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1xbx h ALA 98 CO 0.02 0.63 0.18 1.25 0.00 0.00 0.00 179.25 181.34 1xbx h LEU 99 N 1.11 1.07 -0.46 0.00 5.85 -0.83 -0.20 115.31 121.83 1xbx h LEU 99 Ca 0.25 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1xbx h LEU 99 Cb 0.24 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1xbx h LEU 99 CO -0.02 1.01 0.25 0.44 -0.34 0.00 0.00 178.44 179.78 1xbx h ASP 100 N 1.07 0.58 -0.25 1.25 3.45 -0.98 -0.92 116.42 120.63 1xbx h ASP 100 Ca 0.23 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.57 1xbx h ASP 100 Cb 0.36 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1xbx h ASP 100 CO -0.00 0.51 0.07 0.58 -1.57 0.00 0.00 179.24 178.84 1xbx h VAL 101 N 0.61 1.20 -0.65 -1.35 2.07 -1.21 -2.98 116.25 113.94 1xbx h VAL 101 Ca 0.16 -0.64 0.12 0.00 0.82 0.00 0.00 66.70 67.16 1xbx h VAL 101 Cb 0.07 1.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1xbx h VAL 101 CO -0.02 0.21 0.18 0.00 0.02 0.00 0.00 177.57 177.95 1xbx h ALA 102 N 0.90 0.81 -0.52 1.67 0.00 -0.48 -0.76 119.26 120.87 1xbx h ALA 102 Ca 0.08 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xbx h ALA 102 Cb 0.25 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1xbx h ALA 102 CO -0.00 -0.28 0.29 0.87 0.00 0.00 0.00 179.25 180.13 1xbx h LYS 103 N 0.31 0.70 -0.13 0.00 1.57 -1.05 0.14 116.57 118.10 1xbx h LYS 103 Ca 0.34 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1xbx h LYS 103 Cb 0.51 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1xbx h LYS 103 CO -0.41 0.51 0.07 0.93 -0.57 0.00 0.00 179.45 179.99 1xbx h GLU 104 N 0.71 0.18 -0.59 3.15 5.08 -1.00 -2.54 114.58 119.58 1xbx h GLU 104 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1xbx h GLU 104 Cb 0.01 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1xbx h GLU 104 CO -0.03 0.14 0.00 1.19 -1.00 0.00 0.00 179.01 179.31 1xbx n PHE 105 N -4.50 0.78 -3.97 4.33 3.01 -0.40 -4.95 117.46 111.76 1xbx n PHE 105 Ca -0.01 -0.40 -0.32 0.00 1.01 0.00 0.00 57.45 57.73 1xbx n PHE 105 Cb 0.09 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.55 1xbx n PHE 105 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1xbx n ASN 106 N 1.57 -3.78 -0.80 4.37 3.02 -0.66 -4.99 115.26 113.99 1xbx n ASN 106 Ca 0.22 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1xbx n ASN 106 Cb 0.61 -3.08 0.00 0.00 -0.61 0.00 0.00 39.78 36.70 1xbx n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xbx n GLY 107 N -1.41 2.43 3.52 7.41 0.00 0.35 -5.00 105.19 112.49 1xbx n GLY 107 Ca 0.05 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 1xbx n GLY 107 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xbx s ASP 108 N -0.86 -0.23 -0.03 1.61 2.15 -0.65 -4.35 116.67 114.30 1xbx s ASP 108 Ca 0.00 -0.54 0.06 0.00 0.43 0.00 0.00 52.55 52.50 1xbx s ASP 108 Cb 0.00 0.57 -0.01 0.00 -0.30 0.00 0.00 42.92 43.18 1xbx s ASP 108 CO 0.00 -1.06 -0.21 -0.69 -0.17 0.00 0.00 175.17 173.04 1xbx s VAL 109 N -3.89 1.69 0.02 1.11 1.01 -1.26 -2.01 120.40 117.07 1xbx s VAL 109 Ca 0.11 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1xbx s VAL 109 Cb -0.01 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1xbx s VAL 109 CO -0.02 0.48 -0.14 -1.10 0.00 0.00 0.00 175.10 174.32 1xbx s GLN 110 N -0.27 2.27 -0.24 2.72 -0.21 -0.58 -4.33 119.66 119.02 1xbx s GLN 110 Ca 0.02 -0.87 -0.19 0.00 0.02 0.00 0.00 55.36 54.34 1xbx s GLN 110 Cb -0.10 -2.31 -0.02 0.00 1.00 0.00 0.00 33.01 31.57 1xbx s GLN 110 CO 0.01 0.57 0.57 0.42 -2.12 0.00 0.00 175.29 174.74 1xbx s ILE 111 N -0.93 5.04 -0.17 1.08 -1.09 -0.75 -0.94 121.20 123.43 1xbx s ILE 111 Ca 0.15 1.02 -0.25 0.00 -2.23 0.00 0.00 60.65 59.35 1xbx s ILE 111 Cb -0.11 -3.88 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 1xbx s ILE 111 CO 0.06 0.09 0.81 -0.62 -1.23 0.00 0.00 174.94 174.04 1xbx s ASP 112 N 1.40 6.93 -0.66 3.58 2.15 0.36 -0.86 116.67 129.57 1xbx s ASP 112 Ca 0.24 1.14 -0.01 0.00 0.43 0.00 0.00 52.55 54.36 1xbx s ASP 112 Cb -0.16 -2.44 0.43 0.00 -0.30 0.00 0.00 42.92 40.45 1xbx s ASP 112 CO 0.09 -0.38 1.94 0.18 -0.17 0.00 0.00 175.17 176.82 1xbx n LEU 113 N 5.19 7.36 -4.73 -1.34 4.77 -0.00 -1.20 117.00 127.05 1xbx n LEU 113 Ca 0.04 -4.45 -0.41 0.00 -0.03 0.00 0.00 56.01 51.16 1xbx n LEU 113 Cb 0.49 -0.92 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 1xbx n LEU 113 CO 0.48 1.60 0.77 -0.89 -1.33 0.00 0.00 177.39 178.02 1xbx s THR 114 N -4.87 4.10 0.00 -5.08 2.01 -1.26 -4.49 115.64 106.05 1xbx s THR 114 Ca 0.61 1.72 0.00 0.00 0.31 0.00 0.00 61.69 64.33 1xbx s THR 114 Cb 0.49 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1xbx s THR 114 CO -0.08 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1xbx n GLY 115 N 2.33 -0.11 3.68 4.40 0.00 -1.26 -4.76 105.19 109.47 1xbx n GLY 115 Ca 0.04 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 1xbx n GLY 115 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xbx s TYR 116 N 0.00 3.39 0.25 1.61 -0.85 -1.26 -5.04 117.35 115.45 1xbx s TYR 116 Ca 0.00 0.66 -0.14 0.00 -0.52 0.00 0.00 57.07 57.07 1xbx s TYR 116 Cb 0.00 -2.54 0.00 0.00 0.38 0.00 0.00 41.96 39.80 1xbx s TYR 116 CO 0.00 0.01 0.51 1.67 -1.52 0.00 0.00 175.55 176.22 1xbx s TRP 117 N 1.24 0.26 0.21 -3.49 1.48 -1.26 -4.64 118.94 112.73 1xbx s TRP 117 Ca 0.20 -0.63 0.08 0.00 -1.06 0.00 0.00 56.10 54.69 1xbx s TRP 117 Cb -0.15 0.26 -0.05 0.00 -1.16 0.00 0.00 33.47 32.38 1xbx s TRP 117 CO 0.08 -1.01 -0.13 0.95 -4.06 0.00 0.00 176.95 172.77 1xbx s THR 118 N -3.99 1.72 0.51 0.66 -4.23 -1.26 -5.04 115.64 104.01 1xbx s THR 118 Ca 0.20 -2.20 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 1xbx s THR 118 Cb -0.01 -2.09 0.29 0.00 1.34 0.00 0.00 72.50 72.03 1xbx s THR 118 CO 0.08 -0.56 2.15 -0.50 -0.54 0.00 0.00 174.62 175.24 1xbx h TRP 119 N 2.53 0.00 -0.49 3.99 4.06 -2.03 -2.37 115.95 121.64 1xbx h TRP 119 Ca -0.38 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.48 1xbx h TRP 119 Cb 1.22 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.37 1xbx h TRP 119 CO 0.71 0.06 -0.03 0.93 -3.56 0.00 0.00 178.44 176.55 1xbx h GLU 120 N 0.00 0.89 -0.65 0.49 5.08 -2.00 -1.90 114.58 116.49 1xbx h GLU 120 Ca -0.00 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1xbx h GLU 120 Cb 0.12 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1xbx h GLU 120 CO 0.01 0.94 0.40 1.96 -1.00 0.00 0.00 179.01 181.32 1xbx h GLN 121 N 0.74 0.88 -0.88 2.33 4.20 -1.86 -2.23 115.11 118.30 1xbx h GLN 121 Ca 0.13 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1xbx h GLN 121 Cb 0.56 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 1xbx h GLN 121 CO 0.03 0.62 0.58 0.00 -0.67 0.00 0.00 178.83 179.39 1xbx h ALA 122 N 1.21 1.13 -0.69 3.87 0.00 -1.16 -0.91 119.26 122.71 1xbx h ALA 122 Ca 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xbx h ALA 122 Cb -0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1xbx h ALA 122 CO -0.05 0.48 0.39 0.37 0.00 0.00 0.00 179.25 180.44 1xbx h GLN 123 N 1.16 0.95 -0.71 0.00 5.75 -1.09 -2.00 115.11 119.17 1xbx h GLN 123 Ca 0.33 -0.10 0.05 0.00 -0.15 0.00 0.00 58.65 58.78 1xbx h GLN 123 Cb -0.08 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.23 1xbx h GLN 123 CO -0.09 0.70 0.41 1.96 -2.65 0.00 0.00 178.83 179.17 1xbx h GLN 124 N 0.94 0.75 -0.33 1.69 4.20 -0.78 -0.00 115.11 121.58 1xbx h GLN 124 Ca 0.24 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.94 1xbx h GLN 124 Cb 0.02 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1xbx h GLN 124 CO -0.04 0.50 0.15 -1.49 -0.67 0.00 0.00 178.83 177.27 1xbx h TRP 125 N 0.77 0.27 -0.36 2.96 6.55 -0.78 -0.97 115.95 124.40 1xbx h TRP 125 Ca 0.31 0.01 -0.02 0.00 0.95 0.00 0.00 58.89 60.14 1xbx h TRP 125 Cb 0.14 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.35 1xbx h TRP 125 CO -0.06 0.14 0.15 0.00 -1.05 0.00 0.00 178.44 177.62 1xbx h ARG 126 N 0.31 0.53 -0.47 0.49 2.47 -1.00 -1.24 114.38 115.47 1xbx h ARG 126 Ca 0.14 -0.09 0.08 0.00 -1.26 0.00 0.00 59.98 58.86 1xbx h ARG 126 Cb 0.08 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 1xbx h ARG 126 CO -0.11 0.50 0.32 -0.44 0.56 0.00 0.00 179.97 180.80 1xbx h ASP 127 N 0.43 0.24 0.73 7.04 3.32 -0.70 -0.42 116.42 127.07 1xbx h ASP 127 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1xbx h ASP 127 Cb 0.17 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1xbx h ASP 127 CO -0.01 0.15 -0.12 0.00 -1.72 0.00 0.00 179.24 177.54 1xbx n ALA 128 N -2.54 2.67 -0.10 3.45 0.00 -0.39 -4.92 120.51 118.68 1xbx n ALA 128 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xbx n ALA 128 Cb 0.35 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1xbx n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xbx n GLY 129 N 1.44 0.95 3.72 0.00 0.00 -0.17 -4.96 105.19 106.16 1xbx n GLY 129 Ca 0.09 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1xbx n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xbx s ILE 130 N -2.00 3.61 -0.79 -0.61 -1.09 -0.51 -4.94 121.20 114.87 1xbx s ILE 130 Ca 0.00 1.21 0.07 0.00 -2.23 0.00 0.00 60.65 59.69 1xbx s ILE 130 Cb 0.00 -3.77 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1xbx s ILE 130 CO 0.00 0.12 0.65 0.61 -1.23 0.00 0.00 174.94 175.09 1xbx n GLY 131 N 3.04 -0.57 2.85 6.18 0.00 -1.26 -4.35 105.19 111.07 1xbx n GLY 131 Ca 0.09 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1xbx n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xbx s GLN 132 N -0.75 0.03 0.07 1.61 -0.21 -1.26 -0.92 119.66 118.23 1xbx s GLN 132 Ca 0.07 0.04 0.04 0.00 0.02 0.00 0.00 55.36 55.54 1xbx s GLN 132 Cb 0.06 -0.12 -0.03 0.00 1.00 0.00 0.00 33.01 33.92 1xbx s GLN 132 CO 0.12 -0.05 -0.12 0.14 -2.12 0.00 0.00 175.29 173.27 1xbx s VAL 133 N 0.33 0.93 -0.40 1.09 -7.23 -0.78 -1.82 120.40 112.53 1xbx s VAL 133 Ca -0.03 -1.36 -0.08 0.00 -1.81 0.00 0.00 61.98 58.71 1xbx s VAL 133 Cb -0.04 -1.05 0.07 0.00 0.56 0.00 0.00 36.38 35.91 1xbx s VAL 133 CO -0.01 -0.36 0.21 -0.69 -0.31 0.00 0.00 175.10 173.94 1xbx s VAL 134 N -1.65 4.04 -0.41 1.32 1.01 -0.04 -0.81 120.40 123.86 1xbx s VAL 134 Ca -0.02 -1.38 -0.29 0.00 0.00 0.00 0.00 61.98 60.30 1xbx s VAL 134 Cb -0.08 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1xbx s VAL 134 CO 0.01 -0.43 1.34 -0.47 0.00 0.00 0.00 175.10 175.56 1xbx s TYR 135 N 1.40 2.52 -0.19 5.22 5.04 0.73 -0.82 117.35 131.24 1xbx s TYR 135 Ca 0.02 0.71 -0.01 0.00 -2.44 0.00 0.00 57.07 55.36 1xbx s TYR 135 Cb -0.22 -4.28 0.05 0.00 0.35 0.00 0.00 41.96 37.86 1xbx s TYR 135 CO 0.02 -1.81 -0.04 -1.58 -1.34 0.00 0.00 175.55 170.80 1xbx s HIS 136 N 5.10 1.80 0.00 4.97 2.46 -1.26 -1.66 115.29 126.70 1xbx s HIS 136 Ca 0.58 -1.26 -0.30 0.00 0.47 0.00 0.00 55.06 54.55 1xbx s HIS 136 Cb -0.13 -1.35 -0.05 0.00 -0.13 0.00 0.00 32.58 30.93 1xbx s HIS 136 CO 0.31 -0.67 1.25 0.50 -2.47 0.00 0.00 174.74 173.66 1xbx s ARG 137 N 1.60 4.36 0.30 2.88 3.52 -0.34 -4.21 118.95 127.07 1xbx s ARG 137 Ca -0.02 1.78 -0.30 0.00 -0.13 0.00 0.00 55.73 57.07 1xbx s ARG 137 Cb -0.17 -3.48 -0.11 0.00 -1.56 0.00 0.00 34.95 29.63 1xbx s ARG 137 CO -0.07 -0.41 1.57 0.45 -0.81 0.00 0.00 175.30 176.03 1xbx s SER 138 N 1.41 6.38 0.38 -2.12 0.15 -1.26 -4.30 113.70 114.33 1xbx s SER 138 Ca 0.59 2.95 0.15 0.00 0.70 0.00 0.00 55.95 60.34 1xbx s SER 138 Cb -0.28 -2.64 0.77 0.00 -1.71 0.00 0.00 66.02 62.16 1xbx s SER 138 CO 0.26 -0.90 1.83 -0.37 1.20 0.00 0.00 173.24 175.25 1xbx h VAL 139 N 3.33 1.15 -0.08 4.45 -1.51 -1.93 0.84 116.25 122.49 1xbx h VAL 139 Ca -0.48 -1.29 -0.20 0.00 -1.23 0.00 0.00 66.70 63.50 1xbx h VAL 139 Cb 1.22 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 1xbx h VAL 139 CO 0.77 0.36 -0.78 0.44 -1.23 0.00 0.00 177.57 177.12 1xbx h ASP 140 N 0.00 0.60 -0.26 4.19 3.32 -1.99 -1.59 116.42 120.69 1xbx h ASP 140 Ca -0.00 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1xbx h ASP 140 Cb 0.69 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1xbx h ASP 140 CO 0.05 1.17 0.09 0.00 -1.72 0.00 0.00 179.24 178.83 1xbx h ALA 141 N 0.81 0.34 -0.83 3.45 0.00 -1.82 -1.80 119.26 119.41 1xbx h ALA 141 Ca -0.05 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1xbx h ALA 141 Cb 1.38 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1xbx h ALA 141 CO 0.14 -0.05 0.46 0.37 0.00 0.00 0.00 179.25 180.17 1xbx h GLN 142 N 0.27 0.70 0.00 0.00 4.15 -0.77 -1.13 115.11 118.33 1xbx h GLN 142 Ca 0.09 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 1xbx h GLN 142 Cb 0.21 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1xbx h GLN 142 CO -0.01 0.46 -0.29 0.00 -1.93 0.00 0.00 178.83 177.07 1xbx h ALA 143 N 1.50 1.25 -0.19 3.38 0.00 -1.00 -1.72 119.26 122.47 1xbx h ALA 143 Ca 0.42 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xbx h ALA 143 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xbx h ALA 143 CO -0.29 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1xbx n ALA 144 N -2.36 2.47 -0.27 0.00 0.00 -0.53 -4.91 120.51 114.91 1xbx n ALA 144 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1xbx n ALA 144 Cb 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1xbx n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xbx n GLY 145 N 0.82 0.86 3.68 0.00 0.00 -0.65 -5.05 105.19 104.85 1xbx n GLY 145 Ca 0.07 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1xbx n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xbx s VAL 146 N -2.00 4.14 0.21 1.61 1.01 -0.57 -4.98 120.40 119.82 1xbx s VAL 146 Ca 0.00 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.48 1xbx s VAL 146 Cb 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1xbx s VAL 146 CO 0.00 -0.03 0.33 0.00 0.00 0.00 0.00 175.10 175.40 1xbx s ALA 147 N 2.58 3.93 0.35 5.51 0.00 -1.26 -4.33 121.76 128.54 1xbx s ALA 147 Ca 0.58 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 1xbx s ALA 147 Cb -0.25 -1.73 -0.11 0.00 0.00 0.00 0.00 23.12 21.03 1xbx s ALA 147 CO 0.21 0.33 1.42 -1.58 0.00 0.00 0.00 175.76 176.14 1xbx s TRP 148 N -1.91 2.80 0.35 0.00 0.52 -1.26 -5.01 118.94 114.42 1xbx s TRP 148 Ca 0.34 1.25 0.03 0.00 0.02 0.00 0.00 56.10 57.74 1xbx s TRP 148 Cb -0.10 -3.88 -0.01 0.00 -1.15 0.00 0.00 33.47 28.33 1xbx s TRP 148 CO 0.29 -2.54 0.38 0.20 0.02 0.00 0.00 176.95 175.30 1xbx s GLY 149 N -0.24 1.98 0.21 0.98 0.00 -1.26 -5.05 107.32 103.94 1xbx s GLY 149 Ca 0.52 -1.83 -0.09 0.00 0.00 0.00 0.00 44.72 43.31 1xbx s GLY 149 CO 0.58 -1.25 1.87 0.83 0.00 0.00 0.00 173.10 175.13 1xbx h GLU 150 N 2.10 0.97 0.00 2.90 5.08 -2.01 -2.17 114.58 121.45 1xbx h GLU 150 Ca -0.26 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 1xbx h GLU 150 Cb 1.23 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1xbx h GLU 150 CO 0.37 0.64 -0.25 0.00 -1.00 0.00 0.00 179.01 178.77 1xbx h ALA 151 N 1.30 1.45 -0.29 3.43 0.00 -1.99 -2.16 119.26 120.99 1xbx h ALA 151 Ca 0.29 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1xbx h ALA 151 Cb -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xbx h ALA 151 CO -0.08 0.31 -0.04 -0.44 0.00 0.00 0.00 179.25 179.00 1xbx h ASP 152 N 0.00 0.53 -0.57 0.00 3.32 -1.81 -1.25 116.42 116.64 1xbx h ASP 152 Ca -0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 1xbx h ASP 152 Cb 0.48 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1xbx h ASP 152 CO 0.03 0.75 0.24 0.40 -1.72 0.00 0.00 179.24 178.95 1xbx h ILE 153 N 0.31 1.22 -0.14 0.35 1.08 -1.32 -0.96 117.51 118.04 1xbx h ILE 153 Ca 0.08 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1xbx h ILE 153 Cb 0.50 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 1xbx h ILE 153 CO 0.02 0.26 0.09 0.74 -0.69 0.00 0.00 178.15 178.57 1xbx h THR 154 N 0.78 1.05 -0.53 -0.27 2.02 -1.33 -1.81 112.91 112.82 1xbx h THR 154 Ca 0.19 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 67.16 1xbx h THR 154 Cb 0.18 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1xbx h THR 154 CO -0.02 0.05 -0.05 0.00 0.37 0.00 0.00 175.52 175.87 1xbx h ALA 155 N 1.03 0.91 -0.67 6.16 0.00 -1.03 -1.07 119.26 124.60 1xbx h ALA 155 Ca 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1xbx h ALA 155 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1xbx h ALA 155 CO -0.01 0.64 0.33 0.82 0.00 0.00 0.00 179.25 181.03 1xbx h ILE 156 N 0.86 1.22 -0.49 0.00 2.04 -1.05 0.16 117.51 120.24 1xbx h ILE 156 Ca 0.15 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1xbx h ILE 156 Cb 0.57 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1xbx h ILE 156 CO 0.03 0.26 0.20 0.11 0.00 0.00 0.00 178.15 178.75 1xbx h LYS 157 N 0.93 0.74 -0.71 2.37 1.57 -1.14 -0.31 116.57 120.02 1xbx h LYS 157 Ca 0.23 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1xbx h LYS 157 Cb 0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1xbx h LYS 157 CO -0.03 0.66 0.31 -0.09 -0.57 0.00 0.00 179.45 179.73 1xbx h ARG 158 N 0.66 1.04 -0.52 3.15 2.43 -0.81 0.18 114.38 120.51 1xbx h ARG 158 Ca 0.16 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1xbx h ARG 158 Cb 0.19 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1xbx h ARG 158 CO -0.01 0.84 0.30 -0.07 -1.51 0.00 0.00 179.97 179.52 1xbx h LEU 159 N 1.00 0.64 -0.48 3.80 3.38 -0.64 -0.70 115.31 122.32 1xbx h LEU 159 Ca 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xbx h LEU 159 Cb 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1xbx h LEU 159 CO -0.03 0.53 0.30 -1.28 0.09 0.00 0.00 178.44 178.06 1xbx h SER 160 N 0.70 0.56 0.16 -0.43 0.87 -0.75 -2.54 113.55 112.11 1xbx h SER 160 Ca 0.19 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1xbx h SER 160 Cb 0.02 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1xbx h SER 160 CO -0.03 0.43 -0.15 0.44 -0.53 0.00 0.00 176.83 176.99 1xbx h ASP 161 N 0.64 0.00 0.60 6.23 3.32 -0.56 -0.73 116.42 125.93 1xbx h ASP 161 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1xbx h ASP 161 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1xbx h ASP 161 CO -0.03 0.15 0.00 0.23 -1.72 0.00 0.00 179.24 177.87 1xbx n MET 162 N -4.34 0.08 0.00 3.56 2.81 -0.30 -4.89 117.12 114.03 1xbx n MET 162 Ca -0.03 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1xbx n MET 162 Cb 0.22 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1xbx n MET 162 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xbx n GLY 163 N 0.03 0.97 3.81 3.03 0.00 -0.28 -5.02 105.19 107.73 1xbx n GLY 163 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1xbx n GLY 163 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xbx s PHE 164 N -2.00 3.55 -0.03 1.61 0.40 -1.06 -4.91 117.98 115.54 1xbx s PHE 164 Ca 0.00 1.57 -0.26 0.00 -0.60 0.00 0.00 56.93 57.64 1xbx s PHE 164 Cb 0.00 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.72 1xbx s PHE 164 CO 0.00 0.15 0.83 0.15 0.70 0.00 0.00 175.22 177.05 1xbx s LYS 165 N -2.42 4.49 -0.18 0.44 1.02 -0.10 -4.17 119.74 118.83 1xbx s LYS 165 Ca 0.52 1.12 -0.04 0.00 0.02 0.00 0.00 55.97 57.59 1xbx s LYS 165 Cb -0.15 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 1xbx s LYS 165 CO 0.20 0.02 -0.02 0.08 -0.92 0.00 0.00 175.35 174.71 1xbx s VAL 166 N 0.87 3.93 -0.06 3.17 1.01 -1.26 -1.87 120.40 126.19 1xbx s VAL 166 Ca 0.44 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 1xbx s VAL 166 Cb -0.19 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1xbx s VAL 166 CO 0.23 0.46 0.26 -0.89 0.00 0.00 0.00 175.10 175.16 1xbx s THR 167 N 0.64 5.29 -0.09 3.92 2.01 0.01 -0.62 115.64 126.80 1xbx s THR 167 Ca -0.01 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.46 1xbx s THR 167 Cb -0.14 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1xbx s THR 167 CO 0.02 0.58 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.73 1xbx s VAL 168 N -1.08 3.32 0.14 3.82 1.01 -0.17 -0.19 120.40 127.25 1xbx s VAL 168 Ca 0.20 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1xbx s VAL 168 Cb -0.14 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.91 1xbx s VAL 168 CO 0.09 0.56 0.42 0.00 0.00 0.00 0.00 175.10 176.17 1xbx s ALA 169 N -0.30 -0.87 0.00 5.51 0.00 -0.67 -1.14 121.76 124.30 1xbx s ALA 169 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1xbx s ALA 169 Cb -0.13 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1xbx s ALA 169 CO 0.03 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1xbx n GLY 170 N -0.25 1.41 2.52 0.00 0.00 -1.26 -1.20 105.19 106.41 1xbx n GLY 170 Ca -0.14 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 1xbx n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xbx n GLY 171 N 0.00 -0.35 3.72 -0.02 0.00 -1.26 -4.73 105.19 102.54 1xbx n GLY 171 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1xbx n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xbx s LEU 172 N -5.33 4.37 0.22 0.99 2.96 -1.26 -5.00 118.68 115.63 1xbx s LEU 172 Ca 0.10 2.57 0.09 0.00 -0.22 0.00 0.00 54.13 56.66 1xbx s LEU 172 Cb -0.04 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1xbx s LEU 172 CO 0.12 -0.80 -0.00 0.00 -1.32 0.00 0.00 176.35 174.34 1xbx s ALA 173 N 1.20 3.17 0.24 5.97 0.00 -1.26 -4.51 121.76 126.58 1xbx s ALA 173 Ca 0.69 -1.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 1xbx s ALA 173 Cb -0.43 -0.88 0.46 0.00 0.00 0.00 0.00 23.12 22.28 1xbx s ALA 173 CO 0.31 0.37 1.70 1.25 0.00 0.00 0.00 175.76 179.39 1xbx h LEU 174 N 2.28 0.11 -0.44 0.00 5.85 -1.96 -0.59 115.31 120.55 1xbx h LEU 174 Ca -0.46 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1xbx h LEU 174 Cb 1.23 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1xbx h LEU 174 CO 0.59 0.01 0.00 -1.84 -0.34 0.00 0.00 178.44 176.86 1xbx n GLU 175 N -5.10 0.08 0.19 1.25 0.00 -1.26 -2.13 120.64 113.66 1xbx n GLU 175 Ca 0.14 0.41 0.07 0.00 0.00 0.00 0.00 57.16 57.78 1xbx n GLU 175 Cb 0.44 -1.69 0.22 0.00 0.00 0.00 0.00 31.44 30.42 1xbx n GLU 175 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1xbx h ASP 176 N 0.00 0.00 -0.74 -1.84 3.32 -1.51 -3.39 116.42 112.27 1xbx h ASP 176 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1xbx h ASP 176 Cb 0.20 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 1xbx h ASP 176 CO 0.00 0.31 0.43 -0.07 -1.72 0.00 0.00 179.24 178.19 1xbx h LEU 177 N 0.00 0.67 -2.47 1.55 3.38 -1.53 -2.18 115.31 114.72 1xbx h LEU 177 Ca -0.00 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xbx h LEU 177 Cb 1.07 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1xbx h LEU 177 CO 0.04 0.43 0.13 -0.65 0.09 0.00 0.00 178.44 178.48 1xbx h PRO 178 N 0.80 0.00 -0.04 1.13 0.11 -1.81 -1.43 132.00 130.76 1xbx h PRO 178 Ca 0.32 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.45 1xbx h PRO 178 Cb 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1xbx h PRO 178 CO -0.17 0.00 0.03 -0.07 -0.21 0.00 0.00 178.00 177.58 1xbx h LEU 179 N 0.00 0.00 -2.09 2.35 3.38 -1.67 -2.77 115.31 114.52 1xbx h LEU 179 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xbx h LEU 179 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xbx h LEU 179 CO -0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 1xbx n PHE 180 N -4.38 0.21 -1.71 1.13 3.01 -0.54 -5.00 117.46 110.19 1xbx n PHE 180 Ca -0.02 -0.11 -0.41 0.00 1.01 0.00 0.00 57.45 57.92 1xbx n PHE 180 Cb 0.13 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1xbx n PHE 180 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1xbx n LYS 181 N 1.37 2.09 -0.65 -1.08 4.81 -1.05 -2.35 118.16 121.31 1xbx n LYS 181 Ca 0.16 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1xbx n LYS 181 Cb 0.59 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1xbx n LYS 181 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xbx n GLY 182 N 0.75 0.81 3.38 3.14 0.00 -1.26 -5.03 105.19 106.98 1xbx n GLY 182 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1xbx n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xbx s ILE 183 N -3.19 2.88 -1.46 -0.61 1.01 -0.99 -5.04 121.20 113.80 1xbx s ILE 183 Ca 0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 1xbx s ILE 183 Cb 0.00 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1xbx s ILE 183 CO 0.00 0.55 2.56 -0.81 0.00 0.00 0.00 174.94 177.24 1xbx n PRO 184 N 3.13 3.12 -1.76 2.79 -0.04 -1.26 -4.94 135.00 136.04 1xbx n PRO 184 Ca -0.18 -2.28 -0.42 0.00 -0.04 0.00 0.00 63.50 60.59 1xbx n PRO 184 Cb 0.52 -2.97 -0.02 0.00 -0.04 0.00 0.00 33.50 31.00 1xbx n PRO 184 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xbx s ILE 185 N 2.83 2.05 0.03 0.52 -1.09 -1.26 -4.70 121.20 119.57 1xbx s ILE 185 Ca 0.58 0.04 -0.16 0.00 -2.23 0.00 0.00 60.65 58.87 1xbx s ILE 185 Cb 0.16 -3.02 -0.33 0.00 -1.58 0.00 0.00 42.46 37.69 1xbx s ILE 185 CO -0.06 0.01 1.03 -0.74 -1.23 0.00 0.00 174.94 173.95 1xbx h HIS 186 N 5.35 0.95 -2.66 3.97 -0.00 -1.23 -3.33 115.15 118.21 1xbx h HIS 186 Ca -0.46 -0.65 -0.11 0.00 -0.00 0.00 0.00 60.37 59.15 1xbx h HIS 186 Cb 1.22 -0.06 -0.24 0.00 -0.00 0.00 0.00 27.41 28.33 1xbx h HIS 186 CO 0.60 1.50 -0.22 0.08 -0.00 0.00 0.00 177.93 179.89 1xbx s VAL 187 N -2.75 -0.01 -0.16 5.26 1.01 -1.21 -1.20 120.40 121.35 1xbx s VAL 187 Ca -0.10 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1xbx s VAL 187 Cb 0.04 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1xbx s VAL 187 CO 0.93 0.01 0.01 -0.36 0.00 0.00 0.00 175.10 175.69 1xbx s PHE 188 N 0.50 3.15 -0.15 5.22 0.40 -0.09 -1.00 117.98 126.01 1xbx s PHE 188 Ca -0.02 -0.06 -0.12 0.00 -0.60 0.00 0.00 56.93 56.13 1xbx s PHE 188 Cb -0.04 -1.99 -0.05 0.00 0.51 0.00 0.00 43.02 41.45 1xbx s PHE 188 CO -0.03 0.12 0.23 0.42 0.70 0.00 0.00 175.22 176.67 1xbx s ILE 189 N 0.18 5.35 -0.10 0.64 1.01 -0.29 -1.00 121.20 126.99 1xbx s ILE 189 Ca 0.01 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.09 1xbx s ILE 189 Cb -0.13 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.81 1xbx s ILE 189 CO 0.02 0.46 -0.11 0.00 0.00 0.00 0.00 174.94 175.31 1xbx s ALA 190 N 0.03 1.38 0.00 9.38 0.00 -0.23 -4.56 121.76 127.76 1xbx s ALA 190 Ca 0.14 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1xbx s ALA 190 Cb -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1xbx s ALA 190 CO 0.03 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1xbx n GLY 191 N 4.41 -0.26 0.34 0.00 0.00 -1.26 -2.06 105.19 106.36 1xbx n GLY 191 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 1xbx n GLY 191 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xbx h ARG 192 N 0.00 0.99 0.00 1.61 3.08 -1.92 -0.08 114.38 118.06 1xbx h ARG 192 Ca 0.00 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1xbx h ARG 192 Cb 0.00 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 1xbx h ARG 192 CO 0.00 0.73 -0.01 0.66 -1.07 0.00 0.00 179.97 180.27 1xbx h SER 193 N 1.00 0.00 0.00 7.04 4.64 -1.88 -1.45 113.55 122.90 1xbx h SER 193 Ca 0.25 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.28 1xbx h SER 193 Cb 0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 1xbx h SER 193 CO -0.04 0.01 -1.81 -0.38 -0.87 0.00 0.00 176.83 173.74 1xbx n ILE 194 N -3.24 1.52 -0.23 0.95 5.41 -0.83 -4.32 119.36 118.62 1xbx n ILE 194 Ca -0.02 -0.16 0.01 0.00 1.00 0.00 0.00 62.75 63.58 1xbx n ILE 194 Cb 0.13 -2.04 0.24 0.00 -0.71 0.00 0.00 39.64 37.27 1xbx n ILE 194 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1xbx h ARG 195 N -1.00 0.99 -0.13 0.38 3.08 -0.89 -2.88 114.38 113.94 1xbx h ARG 195 Ca -0.44 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1xbx h ARG 195 Cb 1.35 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1xbx h ARG 195 CO -0.27 0.66 0.00 -0.25 -1.07 0.00 0.00 179.97 179.04 1xbx n ASP 196 N -4.43 3.05 -4.76 7.04 8.00 -0.56 -4.86 116.55 120.04 1xbx n ASP 196 Ca 0.09 -1.97 -0.34 0.00 0.71 0.00 0.00 54.79 53.27 1xbx n ASP 196 Cb 0.06 -0.07 0.05 0.00 -0.02 0.00 0.00 41.12 41.14 1xbx n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xbx s ALA 197 N -1.86 2.45 0.34 2.24 0.00 -1.08 -4.92 121.76 118.93 1xbx s ALA 197 Ca 0.32 0.79 0.04 0.00 0.00 0.00 0.00 51.96 53.10 1xbx s ALA 197 Cb 0.21 -3.39 0.66 0.00 0.00 0.00 0.00 23.12 20.60 1xbx s ALA 197 CO 0.31 -1.28 1.93 0.00 0.00 0.00 0.00 175.76 176.71 1xbx h ALA 198 N 0.39 1.64 -3.18 0.00 0.00 -1.92 -3.32 119.26 112.87 1xbx h ALA 198 Ca -0.48 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 53.81 1xbx h ALA 198 Cb 1.27 -0.22 -0.40 0.00 0.00 0.00 0.00 17.79 18.45 1xbx h ALA 198 CO 0.54 0.22 -0.74 0.45 0.00 0.00 0.00 179.25 179.71 1xbx s SER 199 N -6.07 4.03 0.33 0.00 0.15 -1.26 -5.00 113.70 105.87 1xbx s SER 199 Ca -0.10 -2.01 0.08 0.00 0.70 0.00 0.00 55.95 54.61 1xbx s SER 199 Cb 0.20 -1.03 0.78 0.00 -1.71 0.00 0.00 66.02 64.26 1xbx s SER 199 CO 0.78 -0.37 1.82 -0.65 1.20 0.00 0.00 173.24 176.02 1xbx h PRO 200 N 7.61 0.71 0.13 5.44 0.11 -1.73 -0.53 132.00 143.74 1xbx h PRO 200 Ca -0.08 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1xbx h PRO 200 Cb 0.99 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1xbx h PRO 200 CO 0.48 0.47 -0.07 0.28 -0.21 0.00 0.00 178.00 178.95 1xbx h VAL 201 N 0.73 0.85 -0.04 3.15 2.07 -1.89 -0.72 116.25 120.41 1xbx h VAL 201 Ca 0.53 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.97 1xbx h VAL 201 Cb 0.85 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1xbx h VAL 201 CO -0.30 0.00 -0.32 -0.08 0.02 0.00 0.00 177.57 176.89 1xbx h GLU 202 N -0.19 0.07 -0.23 1.57 4.57 -1.83 -1.57 114.58 116.96 1xbx h GLU 202 Ca -0.02 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1xbx h GLU 202 Cb 0.15 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1xbx h GLU 202 CO 0.02 0.38 0.04 0.00 -1.18 0.00 0.00 179.01 178.28 1xbx h ALA 203 N 1.62 0.31 -0.73 2.92 0.00 -0.80 -0.49 119.26 122.08 1xbx h ALA 203 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1xbx h ALA 203 Cb 0.60 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1xbx h ALA 203 CO 0.04 -0.02 0.49 0.00 0.00 0.00 0.00 179.25 179.76 1xbx h ALA 204 N 0.86 0.93 -0.57 0.00 0.00 -0.92 -2.24 119.26 117.31 1xbx h ALA 204 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1xbx h ALA 204 Cb 0.31 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1xbx h ALA 204 CO 0.00 0.35 0.17 0.00 0.00 0.00 0.00 179.25 179.77 1xbx h ARG 205 N 0.99 0.86 -0.54 0.00 3.08 -1.06 -1.81 114.38 115.90 1xbx h ARG 205 Ca 0.27 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 1xbx h ARG 205 Cb -0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1xbx h ARG 205 CO -0.06 0.75 0.07 1.96 -1.07 0.00 0.00 179.97 181.62 1xbx h GLN 206 N 0.83 0.90 -0.49 0.04 4.20 -0.66 0.76 115.11 120.69 1xbx h GLN 206 Ca 0.19 -0.25 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1xbx h GLN 206 Cb 0.25 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1xbx h GLN 206 CO -0.01 0.88 0.26 0.74 -0.67 0.00 0.00 178.83 180.04 1xbx h PHE 207 N 0.78 0.49 -0.32 2.96 -1.00 -1.05 -0.66 116.94 118.15 1xbx h PHE 207 Ca 0.16 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 1xbx h PHE 207 Cb 0.43 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1xbx h PHE 207 CO 0.03 0.26 0.11 0.87 -1.61 0.00 0.00 178.31 177.97 1xbx h LYS 208 N 0.52 0.49 -0.44 1.51 1.79 -1.05 -0.61 116.57 118.79 1xbx h LYS 208 Ca 0.21 -0.10 0.04 0.00 -2.18 0.00 0.00 60.65 58.62 1xbx h LYS 208 Cb 0.08 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 1xbx h LYS 208 CO -0.13 0.52 0.20 0.00 -1.08 0.00 0.00 179.45 178.96 1xbx h ARG 209 N 0.36 0.38 -0.44 3.15 3.08 -0.58 -1.01 114.38 119.33 1xbx h ARG 209 Ca 0.10 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 1xbx h ARG 209 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1xbx h ARG 209 CO -0.00 0.25 -0.15 1.03 -1.07 0.00 0.00 179.97 180.02 1xbx h SER 210 N 0.39 0.89 -0.29 7.04 0.87 -0.95 -1.89 113.55 119.62 1xbx h SER 210 Ca 0.20 -0.38 0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1xbx h SER 210 Cb 0.14 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1xbx h SER 210 CO -0.16 1.07 0.15 0.40 -0.53 0.00 0.00 176.83 177.76 1xbx h ILE 211 N 0.70 1.01 -0.16 2.23 2.04 -0.94 0.63 117.51 123.01 1xbx h ILE 211 Ca 0.10 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1xbx h ILE 211 Cb 0.71 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1xbx h ILE 211 CO 0.05 0.06 -0.04 0.00 0.00 0.00 0.00 178.15 178.23 1xbx h ALA 212 N 1.14 1.64 -0.03 1.87 0.00 -1.03 -0.84 119.26 122.01 1xbx h ALA 212 Ca 0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1xbx h ALA 212 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xbx h ALA 212 CO -0.07 0.27 -0.19 0.93 0.00 0.00 0.00 179.25 180.19 1xbx h GLU 213 N 0.24 0.18 0.00 0.00 4.39 -0.86 -1.76 114.58 116.77 1xbx h GLU 213 Ca 0.05 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 1xbx h GLU 213 Cb 0.22 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1xbx h GLU 213 CO 0.01 0.83 -0.40 -0.07 -1.16 0.00 0.00 179.01 178.21 1xbx h LEU 214 N -0.42 0.00 -1.10 1.33 3.38 -0.56 -3.22 115.31 114.73 1xbx h LEU 214 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xbx h LEU 214 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1xbx h LEU 214 CO 0.04 0.40 -0.01 0.79 0.09 0.00 0.00 178.44 179.75 1xbx n TRP 215 N -3.90 0.00 1.55 1.13 8.01 -0.35 -4.67 117.44 119.21 1xbx n TRP 215 Ca -0.01 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.30 1xbx n TRP 215 Cb 0.45 0.00 0.74 0.00 -2.01 0.00 0.00 31.31 30.49 1xbx n TRP 215 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09