#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8r n ASN 2 N 0.00 0.00 -0.01 3.17 2.85 -1.26 -4.97 115.26 115.04 1u8r n ASN 2 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 1u8r n ASN 2 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 1u8r n ASN 2 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1u8r h GLU 3 N 0.00 -0.51 0.00 1.20 4.57 -2.04 -2.27 114.58 115.53 1u8r h GLU 3 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1u8r h GLU 3 Cb 0.00 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1u8r h GLU 3 CO 0.00 -0.34 0.00 -0.07 -1.18 0.00 0.00 179.01 177.42 1u8r h LEU 4 N -0.53 0.00 0.00 1.64 3.38 -1.98 -3.47 115.31 114.35 1u8r h LEU 4 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1u8r h LEU 4 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1u8r h LEU 4 CO -0.42 0.00 0.00 0.52 0.09 0.00 0.00 178.44 178.63 1u8r n VAL 5 N -2.77 0.00 -3.50 1.22 0.31 -0.86 -4.69 118.33 108.05 1u8r n VAL 5 Ca 0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.16 1u8r n VAL 5 Cb 0.40 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.20 1u8r n VAL 5 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1u8r s ASP 6 N 0.00 1.87 0.09 4.52 3.68 -1.26 -4.85 116.67 120.71 1u8r s ASP 6 Ca 0.00 -0.53 -0.33 0.00 2.13 0.00 0.00 52.55 53.82 1u8r s ASP 6 Cb 0.00 0.22 -0.15 0.00 -1.45 0.00 0.00 42.92 41.54 1u8r s ASP 6 CO 0.00 -0.36 1.59 0.74 0.13 0.00 0.00 175.17 177.28 1u8r h THR 7 N 6.33 0.17 -0.37 1.71 2.02 -2.00 -2.55 112.91 118.22 1u8r h THR 7 Ca -0.16 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.09 1u8r h THR 7 Cb 1.12 0.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.62 1u8r h THR 7 CO 0.32 0.00 -0.16 0.74 0.37 0.00 0.00 175.52 176.79 1u8r h THR 8 N -0.88 0.50 -0.37 3.16 2.02 -1.98 -0.49 112.91 114.86 1u8r h THR 8 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1u8r h THR 8 Cb 0.77 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1u8r h THR 8 CO -0.03 0.00 0.16 -0.33 0.37 0.00 0.00 175.52 175.69 1u8r h GLU 9 N -0.09 0.33 -0.55 6.66 5.08 -1.97 -0.35 114.58 123.69 1u8r h GLU 9 Ca 0.18 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1u8r h GLU 9 Cb 0.37 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1u8r h GLU 9 CO -0.43 0.22 0.37 0.52 -1.00 0.00 0.00 179.01 178.69 1u8r h MET 10 N 0.34 0.69 -0.13 2.33 2.86 -0.90 0.13 114.93 120.25 1u8r h MET 10 Ca 0.16 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1u8r h MET 10 Cb 0.10 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1u8r h MET 10 CO -0.14 0.45 -0.01 1.88 1.06 0.00 0.00 176.91 180.16 1u8r h TYR 11 N 0.71 0.27 0.19 -0.22 -1.99 -0.46 -0.56 116.97 114.91 1u8r h TYR 11 Ca 0.21 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.90 1u8r h TYR 11 Cb -0.02 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 38.62 1u8r h TYR 11 CO -0.00 0.50 -0.29 -0.07 -0.00 0.00 0.00 178.16 178.30 1u8r h LEU 12 N -0.05 -0.80 -2.03 3.88 3.38 0.05 -0.85 115.31 118.90 1u8r h LEU 12 Ca 0.04 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1u8r h LEU 12 Cb 0.40 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1u8r h LEU 12 CO 0.01 -0.39 0.12 -0.09 0.09 0.00 0.00 178.44 178.17 1u8r h ARG 13 N -0.55 0.00 -0.31 1.13 2.43 -0.77 0.19 114.38 116.50 1u8r h ARG 13 Ca 0.01 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.01 1u8r h ARG 13 Cb 0.54 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1u8r h ARG 13 CO -0.12 0.00 -0.47 1.15 -1.51 0.00 0.00 179.97 179.02 1u8r h THR 14 N 0.00 1.28 -0.18 0.20 2.02 -0.17 0.14 112.91 116.21 1u8r h THR 14 Ca 0.08 -1.66 0.02 0.00 0.77 0.00 0.00 66.41 65.62 1u8r h THR 14 Cb 0.31 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1u8r h THR 14 CO -0.00 0.54 0.05 0.40 0.37 0.00 0.00 175.52 176.88 1u8r h ILE 15 N 0.66 0.95 -0.13 3.11 1.08 0.35 -0.97 117.51 122.56 1u8r h ILE 15 Ca 0.03 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1u8r h ILE 15 Cb 1.06 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 1u8r h ILE 15 CO 0.11 0.02 0.07 0.22 -0.69 0.00 0.00 178.15 177.88 1u8r h TYR 16 N 0.13 0.13 -0.42 1.37 5.03 -1.06 -2.41 116.97 119.74 1u8r h TYR 16 Ca 0.08 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.45 1u8r h TYR 16 Cb 0.05 -0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.24 1u8r h TYR 16 CO -0.12 0.08 0.10 -0.44 -1.32 0.00 0.00 178.16 176.46 1u8r h ASP 17 N 0.15 0.05 -0.53 -2.11 3.32 -0.33 -0.38 116.42 116.59 1u8r h ASP 17 Ca 0.05 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1u8r h ASP 17 Cb -0.00 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1u8r h ASP 17 CO -0.03 0.06 0.25 -0.07 -1.72 0.00 0.00 179.24 177.74 1u8r h LEU 18 N 0.24 0.35 -0.56 1.55 3.38 -0.99 -0.66 115.31 118.62 1u8r h LEU 18 Ca 0.20 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1u8r h LEU 18 Cb 0.24 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1u8r h LEU 18 CO -0.25 0.24 0.33 -0.33 0.09 0.00 0.00 178.44 178.52 1u8r h GLU 19 N 0.49 0.63 -0.34 1.13 5.08 -0.82 -0.61 114.58 120.15 1u8r h GLU 19 Ca 0.24 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1u8r h GLU 19 Cb 0.17 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1u8r h GLU 19 CO -0.18 0.42 0.23 1.49 -1.00 0.00 0.00 179.01 179.96 1u8r h GLU 20 N 0.65 0.26 0.00 2.33 4.81 -0.24 0.20 114.58 122.59 1u8r h GLU 20 Ca 0.23 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1u8r h GLU 20 Cb 0.04 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1u8r h GLU 20 CO -0.11 0.17 -0.32 0.39 -0.73 0.00 0.00 179.01 178.41 1u8r n GLU 21 N -4.48 0.02 -1.21 1.92 1.02 -0.34 -4.94 120.64 112.64 1u8r n GLU 21 Ca 0.04 0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1u8r n GLU 21 Cb 0.21 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1u8r n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u8r n GLY 22 N 1.49 0.42 3.70 0.62 0.00 0.06 -4.71 105.19 106.77 1u8r n GLY 22 Ca 0.06 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 1u8r n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u8r s VAL 23 N -2.03 4.04 0.01 1.61 -7.23 -0.77 -5.02 120.40 111.00 1u8r s VAL 23 Ca 0.00 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.81 1u8r s VAL 23 Cb 0.00 -2.96 -0.07 0.00 0.56 0.00 0.00 36.38 33.92 1u8r s VAL 23 CO 0.00 0.06 1.58 -0.89 -0.31 0.00 0.00 175.10 175.55 1u8r s THR 24 N -1.42 3.40 -1.10 5.32 2.01 -1.26 -4.20 115.64 118.38 1u8r s THR 24 Ca 0.27 0.72 -0.25 0.00 0.31 0.00 0.00 61.69 62.75 1u8r s THR 24 Cb -0.11 -3.47 -0.16 0.00 0.01 0.00 0.00 72.50 68.77 1u8r s THR 24 CO 0.19 -0.02 2.00 -2.65 -0.69 0.00 0.00 174.62 173.44 1u8r n PRO 25 N 6.03 0.97 -3.97 4.92 -0.02 -1.26 -4.93 135.00 136.74 1u8r n PRO 25 Ca 0.16 -2.11 -0.22 0.00 -2.02 0.00 0.00 63.50 59.31 1u8r n PRO 25 Cb 0.42 -3.76 -0.02 0.00 -0.02 0.00 0.00 33.50 30.12 1u8r n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u8r s LEU 26 N 12.93 4.32 0.31 2.45 1.43 -1.26 0.64 118.68 139.50 1u8r s LEU 26 Ca 0.73 0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 1u8r s LEU 26 Cb -0.01 -2.86 0.53 0.00 0.03 0.00 0.00 46.19 43.87 1u8r s LEU 26 CO 0.16 -0.05 1.81 0.03 0.23 0.00 0.00 176.35 178.53 1u8r h ARG 27 N 1.30 0.48 -0.78 1.70 3.08 -1.93 -2.13 114.38 116.10 1u8r h ARG 27 Ca -0.52 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 59.46 1u8r h ARG 27 Cb 1.23 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.18 1u8r h ARG 27 CO 0.62 0.60 0.51 0.00 -1.07 0.00 0.00 179.97 180.63 1u8r h ALA 28 N 1.43 1.63 0.56 0.04 0.00 -1.97 -1.85 119.26 119.10 1u8r h ALA 28 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1u8r h ALA 28 Cb 0.49 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1u8r h ALA 28 CO 0.03 0.25 -0.27 0.00 0.00 0.00 0.00 179.25 179.26 1u8r h ARG 29 N 0.85 -0.73 -0.50 0.00 2.47 -1.74 -2.41 114.38 112.31 1u8r h ARG 29 Ca 0.33 0.05 0.10 0.00 -1.26 0.00 0.00 59.98 59.20 1u8r h ARG 29 Cb 0.22 0.17 -0.10 0.00 -1.65 0.00 0.00 29.97 28.61 1u8r h ARG 29 CO -0.11 -0.48 -0.13 0.82 0.56 0.00 0.00 179.97 180.62 1u8r h ILE 30 N -0.77 0.48 -0.39 2.04 2.04 -1.38 -1.04 117.51 118.49 1u8r h ILE 30 Ca -0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1u8r h ILE 30 Cb 0.59 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 37.07 1u8r h ILE 30 CO 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.14 1u8r h ALA 31 N 1.49 0.20 0.35 1.87 0.00 -1.19 0.89 119.26 122.86 1u8r h ALA 31 Ca 0.24 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1u8r h ALA 31 Cb 0.38 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1u8r h ALA 31 CO -0.52 -0.49 -0.29 0.93 0.00 0.00 0.00 179.25 178.87 1u8r h GLU 32 N -0.05 -0.63 -0.38 0.00 5.08 -0.77 -0.38 114.58 117.45 1u8r h GLU 32 Ca 0.19 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1u8r h GLU 32 Cb 0.34 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1u8r h GLU 32 CO -0.43 -0.42 0.02 0.00 -1.00 0.00 0.00 179.01 177.18 1u8r h ARG 33 N -0.65 0.59 -0.57 2.33 3.08 -0.63 -2.58 114.38 115.95 1u8r h ARG 33 Ca -0.02 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1u8r h ARG 33 Cb 0.58 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1u8r h ARG 33 CO -0.03 0.60 0.00 1.28 -1.07 0.00 0.00 179.97 180.76 1u8r n LEU 34 N -4.27 3.66 -3.78 3.04 4.77 0.25 -4.97 117.00 115.70 1u8r n LEU 34 Ca 0.02 -1.80 -0.29 0.00 -0.03 0.00 0.00 56.01 53.91 1u8r n LEU 34 Cb 0.25 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1u8r n LEU 34 CO 0.39 0.87 -0.13 -0.67 -1.33 0.00 0.00 177.39 176.53 1u8r n ASP 35 N 1.48 -3.23 -4.34 -1.43 -0.08 -0.22 -5.00 116.55 103.73 1u8r n ASP 35 Ca 0.21 -1.00 -0.20 0.00 -1.51 0.00 0.00 54.79 52.29 1u8r n ASP 35 Cb 0.59 -3.31 -0.10 0.00 2.34 0.00 0.00 41.12 40.64 1u8r n ASP 35 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1u8r s GLN 36 N -6.19 1.31 0.72 -0.67 -0.21 -0.77 -5.05 119.66 108.81 1u8r s GLN 36 Ca 0.27 -1.52 -0.11 0.00 0.02 0.00 0.00 55.36 54.03 1u8r s GLN 36 Cb -0.10 -1.22 0.03 0.00 1.00 0.00 0.00 33.01 32.71 1u8r s GLN 36 CO 0.87 0.22 1.08 -1.54 -2.12 0.00 0.00 175.29 173.80 1u8r s SER 37 N -3.05 5.00 0.12 5.90 1.04 -1.26 -4.60 113.70 116.85 1u8r s SER 37 Ca 0.20 1.73 -0.31 0.00 0.48 0.00 0.00 55.95 58.04 1u8r s SER 37 Cb -0.03 -2.51 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 1u8r s SER 37 CO 0.07 -1.70 1.58 1.23 0.98 0.00 0.00 173.24 175.40 1u8r h GLY 38 N -0.82 -0.88 0.09 7.32 0.00 -1.97 -1.41 103.07 105.39 1u8r h GLY 38 Ca -0.44 0.54 0.19 0.00 0.00 0.00 0.00 47.33 47.62 1u8r h GLY 38 CO 0.54 -0.26 0.55 -2.55 0.00 0.00 0.00 176.54 174.83 1u8r h PRO 39 N -0.64 0.66 0.89 4.80 0.11 -1.99 -1.51 132.00 134.33 1u8r h PRO 39 Ca 0.03 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 1u8r h PRO 39 Cb 0.69 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.65 1u8r h PRO 39 CO -0.29 0.44 -0.46 1.15 -0.21 0.00 0.00 178.00 178.62 1u8r h THR 40 N 0.68 0.00 -0.89 -1.15 2.02 -1.65 -1.52 112.91 110.40 1u8r h THR 40 Ca 0.56 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.90 1u8r h THR 40 Cb 0.90 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 1u8r h THR 40 CO -0.40 0.00 0.58 -0.37 0.37 0.00 0.00 175.52 175.69 1u8r h VAL 41 N -1.24 0.79 0.63 3.16 -1.51 -0.81 -0.72 116.25 116.56 1u8r h VAL 41 Ca -0.12 -0.22 -0.03 0.00 -1.23 0.00 0.00 66.70 65.10 1u8r h VAL 41 Cb 0.97 0.11 0.01 0.00 -2.13 0.00 0.00 31.29 30.24 1u8r h VAL 41 CO 0.18 0.11 -0.30 0.28 -1.23 0.00 0.00 177.57 176.61 1u8r h SER 42 N 0.63 -0.72 -0.75 4.19 0.02 -1.00 -0.14 113.55 115.77 1u8r h SER 42 Ca 0.46 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.47 1u8r h SER 42 Cb 0.83 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 63.49 1u8r h SER 42 CO -0.21 -0.43 0.42 -0.61 -1.14 0.00 0.00 176.83 174.86 1u8r h GLN 43 N -0.99 0.71 -0.60 3.45 4.15 -0.71 -1.05 115.11 120.08 1u8r h GLN 43 Ca -0.09 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 1u8r h GLN 43 Cb 0.69 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 1u8r h GLN 43 CO 0.14 0.47 0.24 1.15 -1.93 0.00 0.00 178.83 178.90 1u8r h THR 44 N 0.73 1.23 -0.28 2.39 2.02 -1.09 -2.15 112.91 115.77 1u8r h THR 44 Ca 0.35 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.83 1u8r h THR 44 Cb 0.29 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1u8r h THR 44 CO -0.22 0.28 0.11 0.58 0.37 0.00 0.00 175.52 176.64 1u8r h VAL 45 N 0.84 0.95 -0.10 3.16 2.07 0.01 -1.49 116.25 121.68 1u8r h VAL 45 Ca 0.20 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1u8r h VAL 45 Cb 0.21 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1u8r h VAL 45 CO -0.02 0.04 -0.25 0.28 0.02 0.00 0.00 177.57 177.64 1u8r h SER 46 N 0.24 -0.82 -0.99 0.57 0.02 -0.82 0.81 113.55 112.56 1u8r h SER 46 Ca 0.12 0.10 0.33 0.00 -0.84 0.00 0.00 61.79 61.50 1u8r h SER 46 Cb 0.07 0.33 -0.18 0.00 0.14 0.00 0.00 62.40 62.76 1u8r h SER 46 CO -0.11 -0.21 0.27 0.03 -1.14 0.00 0.00 176.83 175.67 1u8r h ARG 47 N -0.24 0.02 -0.58 3.45 3.08 -1.15 1.02 114.38 119.97 1u8r h ARG 47 Ca 0.02 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1u8r h ARG 47 Cb 0.30 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1u8r h ARG 47 CO -0.23 0.02 0.02 0.52 -1.07 0.00 0.00 179.97 179.23 1u8r h MET 48 N 0.03 1.01 -0.34 0.04 2.86 0.88 -1.86 114.93 117.54 1u8r h MET 48 Ca 0.71 -0.31 -0.10 0.00 -2.06 0.00 0.00 59.70 57.93 1u8r h MET 48 Cb 1.67 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 33.22 1u8r h MET 48 CO -0.84 1.00 -0.18 1.49 1.06 0.00 0.00 176.91 179.44 1u8r h GLU 49 N 0.90 0.73 -0.02 1.72 4.81 0.70 -1.75 114.58 121.67 1u8r h GLU 49 Ca 0.17 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1u8r h GLU 49 Cb 0.53 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1u8r h GLU 49 CO 0.03 0.93 0.03 -0.09 -0.73 0.00 0.00 179.01 179.18 1u8r h ARG 50 N 0.51 0.00 -0.41 1.92 2.43 0.41 0.14 114.38 119.37 1u8r h ARG 50 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1u8r h ARG 50 Cb 0.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1u8r h ARG 50 CO 0.05 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.26 1u8r n ASP 51 N -3.48 4.61 -3.73 -3.80 8.00 -0.72 -4.98 116.55 112.46 1u8r n ASP 51 Ca -0.03 -2.90 -0.27 0.00 0.71 0.00 0.00 54.79 52.31 1u8r n ASP 51 Cb 0.11 -0.59 0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1u8r n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8r n GLY 52 N 0.09 -0.65 0.00 0.44 0.00 0.49 -4.90 105.19 100.66 1u8r n GLY 52 Ca 0.24 0.31 0.04 0.00 0.00 0.00 0.00 46.02 46.61 1u8r n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u8r n LEU 53 N -4.20 0.00 -3.68 0.99 4.77 -0.71 -4.30 117.00 109.87 1u8r n LEU 53 Ca -0.19 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.73 1u8r n LEU 53 Cb 0.64 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1u8r n LEU 53 CO 0.69 0.00 0.66 -1.48 -1.33 0.00 0.00 177.39 175.93 1u8r s LEU 54 N -3.65 -0.26 0.02 2.23 0.05 -1.26 -2.11 118.68 113.70 1u8r s LEU 54 Ca -0.03 -0.30 0.03 0.00 0.05 0.00 0.00 54.13 53.88 1u8r s LEU 54 Cb 0.06 2.22 -0.01 0.00 -2.05 0.00 0.00 46.19 46.41 1u8r s LEU 54 CO 0.38 -0.89 -0.09 -0.13 -0.55 0.00 0.00 176.35 175.07 1u8r s ARG 55 N -3.35 0.62 -0.41 1.48 0.52 0.86 -4.27 118.95 114.40 1u8r s ARG 55 Ca 0.09 -0.52 -0.17 0.00 -0.52 0.00 0.00 55.73 54.61 1u8r s ARG 55 Cb -0.02 -0.55 0.02 0.00 0.52 0.00 0.00 34.95 34.92 1u8r s ARG 55 CO -0.01 0.13 0.45 0.08 0.02 0.00 0.00 175.30 175.97 1u8r s VAL 56 N -0.69 5.08 0.26 3.52 1.01 -1.26 -1.11 120.40 127.20 1u8r s VAL 56 Ca -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1u8r s VAL 56 Cb -0.06 -4.02 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1u8r s VAL 56 CO 0.00 -0.38 0.19 0.00 0.00 0.00 0.00 175.10 174.91 1u8r n ALA 57 N 5.63 -0.82 -0.10 5.51 0.00 -0.82 -4.85 120.51 125.06 1u8r n ALA 57 Ca -0.07 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 1u8r n ALA 57 Cb 0.48 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 1u8r n ALA 57 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1u8r h GLY 58 N -1.20 0.66 1.01 0.00 0.00 -1.97 -2.76 103.07 98.81 1u8r h GLY 58 Ca -0.08 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1u8r h GLY 58 CO 0.05 0.54 0.00 2.09 0.00 0.00 0.00 176.54 179.22 1u8r n ASP 59 N -4.41 0.00 0.00 0.19 5.68 -1.26 -4.87 116.55 111.88 1u8r n ASP 59 Ca -0.03 -0.85 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 1u8r n ASP 59 Cb 0.38 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1u8r n ASP 59 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1u8r n ARG 60 N -1.01 0.00 -3.06 0.11 1.74 -1.04 -5.05 116.66 108.35 1u8r n ARG 60 Ca 0.21 0.14 -0.32 0.00 -0.77 0.00 0.00 57.85 57.11 1u8r n ARG 60 Cb 0.10 -2.98 -0.06 0.00 -1.02 0.00 0.00 32.46 28.50 1u8r n ARG 60 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1u8r s HIS 61 N -2.00 3.38 -0.02 -1.55 -3.43 -1.26 -4.61 115.29 105.80 1u8r s HIS 61 Ca 0.00 1.22 -0.24 0.00 -0.80 0.00 0.00 55.06 55.24 1u8r s HIS 61 Cb 0.00 -2.55 -0.04 0.00 -1.43 0.00 0.00 32.58 28.56 1u8r s HIS 61 CO 0.00 0.04 0.74 -0.51 -2.00 0.00 0.00 174.74 173.01 1u8r s LEU 62 N -3.15 4.37 -0.16 5.38 1.43 0.21 -1.94 118.68 124.82 1u8r s LEU 62 Ca 0.54 1.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.96 1u8r s LEU 62 Cb -0.10 -3.16 0.02 0.00 0.03 0.00 0.00 46.19 42.98 1u8r s LEU 62 CO 0.19 -0.07 -0.20 -0.70 0.23 0.00 0.00 176.35 175.80 1u8r s GLU 63 N 0.50 2.91 0.13 1.70 2.56 -0.27 -4.74 118.70 121.49 1u8r s GLU 63 Ca 0.39 -0.80 -0.30 0.00 0.00 0.00 0.00 54.97 54.25 1u8r s GLU 63 Cb -0.19 -2.44 -0.07 0.00 2.00 0.00 0.00 34.13 33.43 1u8r s GLU 63 CO 0.20 -0.13 1.08 -0.51 -0.56 0.00 0.00 175.26 175.35 1u8r s LEU 64 N 1.10 4.46 0.93 2.70 1.43 -1.26 -0.10 118.68 127.94 1u8r s LEU 64 Ca -0.00 1.99 -0.15 0.00 -1.03 0.00 0.00 54.13 54.94 1u8r s LEU 64 Cb -0.14 -3.59 0.16 0.00 0.03 0.00 0.00 46.19 42.65 1u8r s LEU 64 CO -0.08 -0.23 1.25 0.42 0.23 0.00 0.00 176.35 177.94 1u8r s THR 65 N 0.11 1.97 0.19 5.49 -4.23 -0.90 -4.68 115.64 113.59 1u8r s THR 65 Ca 0.51 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.84 1u8r s THR 65 Cb -0.28 -2.95 0.15 0.00 1.34 0.00 0.00 72.50 70.76 1u8r s THR 65 CO 0.32 0.00 1.62 -0.08 -0.54 0.00 0.00 174.62 175.94 1u8r h GLU 66 N -1.51 -0.10 0.44 3.99 4.57 -1.89 -0.78 114.58 119.30 1u8r h GLU 66 Ca -0.45 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.71 1u8r h GLU 66 Cb 1.27 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1u8r h GLU 66 CO 0.48 -0.07 -0.21 -0.22 -1.18 0.00 0.00 179.01 177.81 1u8r h LYS 67 N -0.11 -0.57 -0.73 1.92 3.64 -1.90 -2.89 116.57 115.94 1u8r h LYS 67 Ca 0.24 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.82 1u8r h LYS 67 Cb 0.48 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 32.31 1u8r h LYS 67 CO -0.58 -0.29 0.10 0.78 -2.27 0.00 0.00 179.45 177.19 1u8r h GLY 68 N -0.78 0.92 1.22 5.01 0.00 -1.49 -1.39 103.07 106.56 1u8r h GLY 68 Ca -0.06 0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1u8r h GLY 68 CO 0.10 -0.24 -0.01 -0.09 0.00 0.00 0.00 176.54 176.30 1u8r h ARG 69 N 0.19 0.94 -0.97 4.80 2.43 -1.17 -0.27 114.38 120.33 1u8r h ARG 69 Ca 0.40 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1u8r h ARG 69 Cb 0.70 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 1u8r h ARG 69 CO -0.57 0.94 0.62 0.00 -1.51 0.00 0.00 179.97 179.45 1u8r h ALA 70 N 1.11 1.26 -0.06 2.80 0.00 -1.04 -0.55 119.26 122.78 1u8r h ALA 70 Ca 0.16 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1u8r h ALA 70 Cb 0.53 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u8r h ALA 70 CO 0.03 0.66 -0.25 1.25 0.00 0.00 0.00 179.25 180.94 1u8r h LEU 71 N 1.33 0.33 -0.55 0.00 6.46 -1.24 -2.41 115.31 119.21 1u8r h LEU 71 Ca 0.35 -0.64 0.11 0.00 -0.12 0.00 0.00 57.88 57.58 1u8r h LEU 71 Cb -0.11 -0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 39.64 1u8r h LEU 71 CO -0.07 0.91 0.04 0.00 -0.62 0.00 0.00 178.44 178.70 1u8r h ALA 72 N 0.42 0.57 0.02 1.25 0.00 -0.77 -0.72 119.26 120.03 1u8r h ALA 72 Ca -0.01 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1u8r h ALA 72 Cb 0.90 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1u8r h ALA 72 CO 0.05 -0.37 -0.01 0.82 0.00 0.00 0.00 179.25 179.75 1u8r h ILE 73 N 0.16 1.02 -0.69 0.00 2.04 -1.12 -1.17 117.51 117.74 1u8r h ILE 73 Ca 0.28 -0.12 0.14 0.00 1.00 0.00 0.00 64.86 66.16 1u8r h ILE 73 Cb 0.44 1.10 -0.13 0.00 -0.74 0.00 0.00 36.82 37.49 1u8r h ILE 73 CO -0.44 0.03 -0.17 0.00 0.00 0.00 0.00 178.15 177.57 1u8r h ALA 74 N 0.91 0.46 0.11 1.87 0.00 -0.69 0.21 119.26 122.14 1u8r h ALA 74 Ca -0.00 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1u8r h ALA 74 Cb 0.07 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1u8r h ALA 74 CO 0.00 -0.42 -0.05 0.28 0.00 0.00 0.00 179.25 179.06 1u8r h VAL 75 N 0.00 0.97 -0.94 0.00 2.07 -0.91 -2.19 116.25 115.25 1u8r h VAL 75 Ca 0.33 -0.30 0.15 0.00 0.82 0.00 0.00 66.70 67.70 1u8r h VAL 75 Cb 0.51 1.16 -0.09 0.00 -1.52 0.00 0.00 31.29 31.34 1u8r h VAL 75 CO -0.71 0.07 0.55 -0.03 0.02 0.00 0.00 177.57 177.47 1u8r h MET 76 N -0.28 0.77 -0.43 1.57 -1.53 0.14 0.26 114.93 115.42 1u8r h MET 76 Ca -0.02 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.19 1u8r h MET 76 Cb 0.23 -0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 1u8r h MET 76 CO 0.02 0.51 0.25 -0.09 0.14 0.00 0.00 176.91 177.74 1u8r h ARG 77 N 0.79 0.60 -0.37 0.39 2.43 -0.29 -1.39 114.38 116.54 1u8r h ARG 77 Ca 0.50 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.55 1u8r h ARG 77 Cb 0.65 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1u8r h ARG 77 CO -0.33 0.46 -0.00 0.87 -1.51 0.00 0.00 179.97 179.46 1u8r h LYS 78 N 0.57 0.65 -0.16 0.20 1.57 -0.69 -1.11 116.57 117.61 1u8r h LYS 78 Ca 0.15 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1u8r h LYS 78 Cb 0.03 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 1u8r h LYS 78 CO -0.03 0.76 -0.39 1.25 -0.57 0.00 0.00 179.45 180.48 1u8r h HIS 79 N 0.47 -1.09 -0.28 -1.35 2.76 -0.69 0.91 115.15 115.88 1u8r h HIS 79 Ca 0.10 0.05 -0.11 0.00 -2.20 0.00 0.00 60.37 58.21 1u8r h HIS 79 Cb 0.46 0.50 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 1u8r h HIS 79 CO 0.04 -0.45 -0.29 0.00 -1.30 0.00 0.00 177.93 175.93 1u8r h ARG 80 N -0.44 0.57 -0.13 5.26 3.08 -1.18 -1.15 114.38 120.38 1u8r h ARG 80 Ca 0.09 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 1u8r h ARG 80 Cb 0.60 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1u8r h ARG 80 CO -0.40 0.80 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.96 1u8r h LEU 81 N 0.49 0.24 0.13 3.04 3.38 -0.78 -1.99 115.31 119.80 1u8r h LEU 81 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1u8r h LEU 81 Cb 0.76 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1u8r h LEU 81 CO 0.06 0.51 -0.06 0.00 0.09 0.00 0.00 178.44 179.04 1u8r h ALA 82 N 1.51 -0.17 -0.97 1.53 0.00 -0.39 -1.23 119.26 119.54 1u8r h ALA 82 Ca 0.03 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 54.95 1u8r h ALA 82 Cb 0.59 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 1u8r h ALA 82 CO 0.04 -0.44 0.61 0.93 0.00 0.00 0.00 179.25 180.39 1u8r h GLU 83 N -0.48 0.69 0.60 0.00 5.08 -1.04 0.18 114.58 119.62 1u8r h GLU 83 Ca -0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1u8r h GLU 83 Cb 0.39 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1u8r h GLU 83 CO 0.03 0.46 -0.29 0.00 -1.00 0.00 0.00 179.01 178.21 1u8r h ARG 84 N 0.72 -0.78 -0.83 2.33 2.47 -1.06 -2.10 114.38 115.12 1u8r h ARG 84 Ca 0.53 0.05 0.05 0.00 -1.26 0.00 0.00 59.98 59.35 1u8r h ARG 84 Cb 0.87 0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 29.32 1u8r h ARG 84 CO -0.29 -0.49 0.55 1.25 0.56 0.00 0.00 179.97 181.54 1u8r h LEU 85 N -0.90 0.86 -0.26 3.04 5.85 -0.05 -0.80 115.31 123.04 1u8r h LEU 85 Ca -0.08 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1u8r h LEU 85 Cb 0.65 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1u8r h LEU 85 CO 0.14 0.58 0.10 -0.07 -0.34 0.00 0.00 178.44 178.84 1u8r h LEU 86 N 0.99 0.38 0.12 2.25 3.38 -0.55 -1.55 115.31 120.32 1u8r h LEU 86 Ca 0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1u8r h LEU 86 Cb 0.11 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1u8r h LEU 86 CO -0.11 0.46 -0.06 0.58 0.09 0.00 0.00 178.44 179.40 1u8r h VAL 87 N 0.27 1.00 0.18 1.22 2.07 -1.15 0.19 116.25 120.03 1u8r h VAL 87 Ca 0.09 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1u8r h VAL 87 Cb 0.21 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1u8r h VAL 87 CO -0.01 0.27 -0.09 0.44 0.02 0.00 0.00 177.57 178.20 1u8r h ASP 88 N -0.83 -0.21 0.00 0.57 3.32 -1.25 -3.27 116.42 114.76 1u8r h ASP 88 Ca -0.02 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1u8r h ASP 88 Cb 0.56 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1u8r h ASP 88 CO 0.03 0.23 -0.67 0.52 -1.72 0.00 0.00 179.24 177.63 1u8r n VAL 89 N -5.00 1.44 -0.28 -1.35 0.31 -0.85 -4.49 118.33 108.11 1u8r n VAL 89 Ca -0.09 0.18 0.04 0.00 -0.01 0.00 0.00 64.34 64.47 1u8r n VAL 89 Cb 0.25 -2.36 0.26 0.00 -0.91 0.00 0.00 33.84 31.08 1u8r n VAL 89 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1u8r h ILE 90 N -1.00 1.07 0.00 2.52 1.08 -1.35 -3.47 117.51 116.36 1u8r h ILE 90 Ca -0.03 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1u8r h ILE 90 Cb 0.65 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.40 1u8r h ILE 90 CO -0.02 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 178.23 1u8r n GLY 91 N -1.41 0.60 3.76 5.37 0.00 0.45 -5.01 105.19 108.96 1u8r n GLY 91 Ca 0.13 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 1u8r n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u8r s LEU 92 N 0.00 4.56 0.46 0.99 2.96 0.08 -4.97 118.68 122.77 1u8r s LEU 92 Ca 0.00 2.21 -0.23 0.00 -0.22 0.00 0.00 54.13 55.90 1u8r s LEU 92 Cb 0.00 -3.64 -0.10 0.00 0.50 0.00 0.00 46.19 42.96 1u8r s LEU 92 CO 0.00 -0.10 0.91 -0.81 -1.32 0.00 0.00 176.35 175.03 1u8r n PRO 93 N 1.21 1.12 0.05 0.98 -0.04 -1.26 -4.34 135.00 132.72 1u8r n PRO 93 Ca -0.01 0.41 -0.14 0.00 -0.04 0.00 0.00 63.50 63.71 1u8r n PRO 93 Cb 0.45 -1.98 -0.09 0.00 -0.04 0.00 0.00 33.50 31.85 1u8r n PRO 93 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1u8r h TRP 94 N 1.18 -1.44 0.00 0.54 7.01 -1.97 -1.82 115.95 119.45 1u8r h TRP 94 Ca -0.45 0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.60 1u8r h TRP 94 Cb 1.35 0.63 0.00 0.00 -2.10 0.00 0.00 29.16 29.04 1u8r h TRP 94 CO 0.41 -0.52 0.00 -0.85 -2.79 0.00 0.00 178.44 174.69 1u8r n GLU 95 N -5.18 0.40 0.00 2.65 0.00 -1.26 -2.53 120.64 114.71 1u8r n GLU 95 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 1u8r n GLU 95 Cb 0.36 -1.20 0.00 0.00 0.00 0.00 0.00 31.44 30.60 1u8r n GLU 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1u8r n GLU 96 N 0.33 3.35 -0.18 3.44 1.02 -0.70 -4.84 120.64 123.06 1u8r n GLU 96 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1u8r n GLU 96 Cb 0.10 -0.67 0.01 0.00 -0.02 0.00 0.00 31.44 30.86 1u8r n GLU 96 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1u8r h VAL 97 N 0.00 1.25 -0.33 2.62 -1.51 -1.26 -3.09 116.25 113.93 1u8r h VAL 97 Ca 0.00 -0.93 0.07 0.00 -1.23 0.00 0.00 66.70 64.61 1u8r h VAL 97 Cb 0.00 0.88 -0.07 0.00 -2.13 0.00 0.00 31.29 29.96 1u8r h VAL 97 CO 0.00 0.33 -0.14 -0.74 -1.23 0.00 0.00 177.57 175.79 1u8r h HIS 98 N 0.71 -0.35 -0.17 5.19 -0.00 -1.89 0.34 115.15 118.99 1u8r h HIS 98 Ca 0.15 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.54 1u8r h HIS 98 Cb 0.39 0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 1u8r h HIS 98 CO 0.03 -0.22 0.00 0.00 -0.00 0.00 0.00 177.93 177.74 1u8r h ALA 99 N 1.19 1.69 -0.02 5.26 0.00 -1.89 0.37 119.26 125.86 1u8r h ALA 99 Ca 0.17 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1u8r h ALA 99 Cb 0.34 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1u8r h ALA 99 CO -0.39 0.23 -0.40 1.49 0.00 0.00 0.00 179.25 180.18 1u8r h GLU 100 N 0.24 0.30 0.00 0.00 4.57 -1.21 -3.24 114.58 115.24 1u8r h GLU 100 Ca 0.06 -0.30 -0.07 0.00 -1.18 0.00 0.00 59.36 57.87 1u8r h GLU 100 Cb 0.16 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1u8r h GLU 100 CO 0.00 0.99 -0.31 0.00 -1.18 0.00 0.00 179.01 178.51 1u8r h ALA 101 N 0.32 1.48 0.00 2.92 0.00 -0.01 -1.85 119.26 122.12 1u8r h ALA 101 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1u8r h ALA 101 Cb 1.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1u8r h ALA 101 CO 0.08 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1u8r n ARG 103 N -2.40 0.60 0.24 0.00 1.74 -0.75 -4.48 116.66 111.61 1u8r n ARG 103 Ca -0.01 0.22 0.07 0.00 -0.77 0.00 0.00 57.85 57.35 1u8r n ARG 103 Cb 0.06 -1.48 0.57 0.00 -1.02 0.00 0.00 32.46 30.58 1u8r n ARG 103 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1u8r h TRP 104 N -0.65 0.00 0.00 -1.55 4.06 -0.88 -2.43 115.95 114.51 1u8r h TRP 104 Ca -0.65 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.30 1u8r h TRP 104 Cb 1.70 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.86 1u8r h TRP 104 CO -0.05 0.10 0.15 1.05 -3.56 0.00 0.00 178.44 176.13 1u8r h GLU 105 N 0.00 0.00 -0.60 0.49 4.11 -0.96 0.12 114.58 117.73 1u8r h GLU 105 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1u8r h GLU 105 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1u8r h GLU 105 CO 0.01 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.81 1u8r n HIS 106 N -2.73 0.80 -0.46 2.06 8.25 -0.91 -4.42 115.22 117.81 1u8r n HIS 106 Ca -0.02 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 1u8r n HIS 106 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1u8r n HIS 106 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1u8r n VAL 107 N 1.57 0.00 -2.38 1.59 0.24 -0.03 -5.02 118.33 114.30 1u8r n VAL 107 Ca 0.23 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 62.09 1u8r n VAL 107 Cb 0.61 1.46 -0.03 0.00 -1.47 0.00 0.00 33.84 34.41 1u8r n VAL 107 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1u8r s MET 108 N -0.01 4.38 0.76 7.34 -1.94 -0.83 -5.01 119.30 124.00 1u8r s MET 108 Ca 0.00 1.80 -0.11 0.00 -1.71 0.00 0.00 55.69 55.67 1u8r s MET 108 Cb 0.00 -3.43 0.05 0.00 2.01 0.00 0.00 34.83 33.46 1u8r s MET 108 CO 0.00 -0.37 1.08 -1.54 -0.01 0.00 0.00 175.02 174.18 1u8r s SER 109 N 1.31 4.75 0.42 3.03 1.04 -1.26 -4.93 113.70 118.05 1u8r s SER 109 Ca 0.59 1.47 0.21 0.00 0.48 0.00 0.00 55.95 58.70 1u8r s SER 109 Cb -0.29 -2.25 0.87 0.00 0.10 0.00 0.00 66.02 64.45 1u8r s SER 109 CO 0.27 -1.83 1.82 -0.08 0.98 0.00 0.00 173.24 174.40 1u8r h GLU 110 N -0.99 0.00 0.18 4.02 4.81 -2.00 -2.63 114.58 117.98 1u8r h GLU 110 Ca -0.46 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1u8r h GLU 110 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1u8r h GLU 110 CO 0.57 0.29 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.62 1u8r h ASP 111 N 0.00 -0.20 -0.21 1.04 3.45 -2.00 -2.57 116.42 115.93 1u8r h ASP 111 Ca -0.00 -0.30 0.06 0.00 0.43 0.00 0.00 57.03 57.22 1u8r h ASP 111 Cb 0.75 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.57 1u8r h ASP 111 CO 0.04 0.24 0.19 0.58 -1.57 0.00 0.00 179.24 178.71 1u8r h VAL 112 N -0.69 0.64 0.81 -1.35 2.07 -1.92 -1.68 116.25 114.12 1u8r h VAL 112 Ca -0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1u8r h VAL 112 Cb 0.49 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1u8r h VAL 112 CO 0.04 0.00 -0.39 -0.33 0.02 0.00 0.00 177.57 176.91 1u8r h GLU 113 N 0.00 -1.05 -0.57 1.57 5.08 -1.29 -1.23 114.58 117.10 1u8r h GLU 113 Ca 0.10 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.64 1u8r h GLU 113 Cb 0.48 0.24 -0.11 0.00 0.50 0.00 0.00 28.75 29.85 1u8r h GLU 113 CO -0.00 -0.70 -0.26 0.00 -1.00 0.00 0.00 179.01 177.05 1u8r h ARG 114 N -1.29 -0.11 -0.25 2.33 3.08 -0.93 0.90 114.38 118.12 1u8r h ARG 114 Ca -0.11 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1u8r h ARG 114 Cb 0.83 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1u8r h ARG 114 CO 0.18 -0.08 0.14 0.00 -1.07 0.00 0.00 179.97 179.14 1u8r h ARG 115 N -0.12 0.33 -0.08 0.04 3.08 -1.34 -0.57 114.38 115.73 1u8r h ARG 115 Ca 0.25 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 1u8r h ARG 115 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1u8r h ARG 115 CO -0.65 0.24 -0.40 -0.07 -1.07 0.00 0.00 179.97 178.03 1u8r h LEU 116 N 0.34 0.17 -0.48 3.04 3.38 0.39 -1.42 115.31 120.74 1u8r h LEU 116 Ca 0.09 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1u8r h LEU 116 Cb 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1u8r h LEU 116 CO -0.02 0.56 0.31 0.58 0.09 0.00 0.00 178.44 179.96 1u8r h VAL 117 N 0.14 1.10 -0.14 1.22 2.07 0.18 -0.76 116.25 120.07 1u8r h VAL 117 Ca 0.01 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 1u8r h VAL 117 Cb 0.78 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1u8r h VAL 117 CO 0.06 0.11 -0.57 0.11 0.02 0.00 0.00 177.57 177.30 1u8r h LYS 118 N 0.62 0.43 0.00 1.57 1.79 -1.23 0.12 116.57 119.88 1u8r h LYS 118 Ca 0.18 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 1u8r h LYS 118 Cb -0.05 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1u8r h LYS 118 CO -0.05 0.88 -0.10 0.28 -1.08 0.00 0.00 179.45 179.37 1u8r h VAL 119 N 0.33 0.23 -0.40 0.50 2.07 -0.86 -3.01 116.25 115.11 1u8r h VAL 119 Ca 0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1u8r h VAL 119 Cb 1.09 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1u8r h VAL 119 CO 0.10 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.97 1u8r n LEU 120 N -3.20 3.10 -2.94 2.57 4.77 -0.33 -5.00 117.00 115.97 1u8r n LEU 120 Ca 0.01 -1.84 -0.12 0.00 -0.03 0.00 0.00 56.01 54.04 1u8r n LEU 120 Cb 0.41 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1u8r n LEU 120 CO 0.31 0.75 0.03 0.59 -1.33 0.00 0.00 177.39 177.74 1u8r n ASN 121 N 0.88 -5.88 -4.09 -1.43 5.03 -0.98 -3.84 115.26 104.95 1u8r n ASN 121 Ca 0.15 -0.57 -0.29 0.00 0.87 0.00 0.00 54.58 54.73 1u8r n ASN 121 Cb 0.47 -4.40 -0.05 0.00 -1.02 0.00 0.00 39.78 34.78 1u8r n ASN 121 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1u8r n ASN 122 N -2.89 -0.31 -4.39 6.41 3.02 0.40 -4.90 115.26 112.60 1u8r n ASN 122 Ca -0.06 -1.14 -0.32 0.00 -0.03 0.00 0.00 54.58 53.04 1u8r n ASN 122 Cb 0.60 -2.40 0.17 0.00 -0.61 0.00 0.00 39.78 37.54 1u8r n ASN 122 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1u8r n PRO 123 N -4.51 -1.18 0.00 3.52 -0.04 -1.25 -4.96 135.00 126.59 1u8r n PRO 123 Ca -0.29 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1u8r n PRO 123 Cb 0.68 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1u8r n PRO 123 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1u8r n THR 124 N -4.21 0.00 -4.05 0.52 -2.24 -1.26 -4.95 114.28 98.09 1u8r n THR 124 Ca 0.04 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1u8r n THR 124 Cb 0.57 1.88 -0.06 0.00 -2.10 0.00 0.00 70.33 70.62 1u8r n THR 124 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1u8r s THR 125 N -0.00 0.00 0.47 4.28 -4.23 -1.26 -1.75 115.64 113.15 1u8r s THR 125 Ca 0.00 -1.55 0.06 0.00 -1.18 0.00 0.00 61.69 59.02 1u8r s THR 125 Cb 0.00 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.56 1u8r s THR 125 CO 0.00 0.00 0.64 -0.94 -0.54 0.00 0.00 174.62 173.78 1u8r s SER 126 N -3.06 5.53 0.00 3.99 1.04 -0.09 -4.83 113.70 116.28 1u8r s SER 126 Ca 0.26 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.44 1u8r s SER 126 Cb 0.01 -0.74 0.10 0.00 0.10 0.00 0.00 66.02 65.49 1u8r s SER 126 CO 0.10 -0.89 0.62 -2.65 0.98 0.00 0.00 173.24 171.40 1u8r n PRO 127 N -2.02 0.05 -0.03 4.02 -0.02 -1.26 0.09 135.00 135.83 1u8r n PRO 127 Ca 0.08 0.02 0.01 0.00 -2.02 0.00 0.00 63.50 61.60 1u8r n PRO 127 Cb 0.59 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.60 1u8r n PRO 127 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1u8r n PHE 128 N -1.03 0.07 -0.39 6.00 3.01 -1.26 -4.86 117.46 119.00 1u8r n PHE 128 Ca 0.01 -0.36 0.00 0.00 1.01 0.00 0.00 57.45 58.12 1u8r n PHE 128 Cb 0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1u8r n PHE 128 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1u8r n GLY 129 N -0.15 1.29 3.74 1.37 0.00 0.11 -1.30 105.19 110.26 1u8r n GLY 129 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1u8r n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u8r s ASN 130 N -3.13 7.54 0.38 1.61 -0.87 -1.26 -4.67 114.94 114.54 1u8r s ASN 130 Ca 0.00 1.83 -0.27 0.00 -1.57 0.00 0.00 52.86 52.85 1u8r s ASN 130 Cb 0.00 -2.58 -0.09 0.00 -0.02 0.00 0.00 41.25 38.55 1u8r s ASN 130 CO 0.00 0.07 1.30 -2.16 -2.57 0.00 0.00 177.10 173.74 1u8r s PRO 131 N -0.67 4.12 -0.55 -0.60 0.04 -1.26 -0.91 135.00 135.18 1u8r s PRO 131 Ca 0.42 2.17 -0.27 0.00 0.04 0.00 0.00 61.00 63.37 1u8r s PRO 131 Cb -0.24 -2.88 0.03 0.00 0.04 0.00 0.00 34.50 31.45 1u8r s PRO 131 CO 0.30 -0.37 1.12 0.42 0.04 0.00 0.00 177.00 178.51 1u8r s ILE 132 N -1.22 4.14 1.10 0.56 1.01 -0.72 -4.89 121.20 121.19 1u8r s ILE 132 Ca 0.54 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.87 1u8r s ILE 132 Cb -0.39 -4.66 0.24 0.00 0.01 0.00 0.00 42.46 37.67 1u8r s ILE 132 CO 0.50 -1.21 1.12 -2.16 0.00 0.00 0.00 174.94 173.19 1u8r s PRO 133 N 4.62 -0.42 -0.74 2.79 0.04 -1.26 -4.14 135.00 135.89 1u8r s PRO 133 Ca 0.41 0.13 -0.07 0.00 0.04 0.00 0.00 61.00 61.52 1u8r s PRO 133 Cb -0.08 -1.67 0.06 0.00 0.04 0.00 0.00 34.50 32.85 1u8r s PRO 133 CO 0.26 -3.22 0.21 0.41 0.04 0.00 0.00 177.00 174.69 1u8r n GLY 134 N -1.23 -0.48 0.16 0.56 0.00 -1.26 -4.62 105.19 98.32 1u8r n GLY 134 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1u8r n GLY 134 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1u8r h LEU 135 N -0.35 0.02 0.15 0.99 3.38 -1.95 -3.14 115.31 114.42 1u8r h LEU 135 Ca -0.23 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.53 1u8r h LEU 135 Cb 1.16 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.92 1u8r h LEU 135 CO 0.32 0.52 -0.87 -2.24 0.09 0.00 0.00 178.44 176.26 1u8r h ASP 136 N 0.02 0.51 0.06 -0.43 2.03 -1.88 -2.92 116.42 113.80 1u8r h ASP 136 Ca -0.00 -0.95 0.00 0.00 -0.73 0.00 0.00 57.03 55.35 1u8r h ASP 136 Cb 0.90 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 1u8r h ASP 136 CO 0.07 1.42 0.00 -1.84 -1.03 0.00 0.00 179.24 177.86 1u8r n GLU 137 N -4.09 0.20 -0.04 4.15 0.00 -1.24 0.11 120.64 119.74 1u8r n GLU 137 Ca -0.14 0.08 -0.22 0.00 0.00 0.00 0.00 57.16 56.88 1u8r n GLU 137 Cb 0.85 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.66 1u8r n GLU 137 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1u8r h LEU 138 N 0.00 0.22 0.00 -1.84 6.46 -1.48 -3.49 115.31 115.18 1u8r h LEU 138 Ca 0.00 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 57.02 1u8r h LEU 138 Cb 0.03 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 1u8r h LEU 138 CO 0.00 1.67 0.00 0.61 -0.62 0.00 0.00 178.44 180.10 1u8r n GLY 139 N 1.71 0.38 0.00 3.75 0.00 0.12 -5.02 105.19 106.13 1u8r n GLY 139 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1u8r n GLY 139 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u8r n VAL 140 N 0.00 0.00 -0.88 1.61 0.24 -1.14 -5.02 118.33 113.14 1u8r n VAL 140 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 1u8r n VAL 140 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1u8r n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u8r n GLY 141 N 0.00 -1.94 3.11 7.63 0.00 -1.26 -4.17 105.19 108.55 1u8r n GLY 141 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1u8r n GLY 141 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u8r n ASN 150 N -3.22 -0.10 -3.84 1.61 6.94 -1.26 -4.93 115.26 110.45 1u8r n ASN 150 Ca -0.01 0.00 -0.20 0.00 -0.02 0.00 0.00 54.58 54.36 1u8r n ASN 150 Cb 0.40 -0.36 -0.17 0.00 -2.36 0.00 0.00 39.78 37.30 1u8r n ASN 150 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1u8r s LEU 151 N 0.00 1.11 0.40 -4.53 2.96 -1.26 -4.35 118.68 113.01 1u8r s LEU 151 Ca 0.00 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1u8r s LEU 151 Cb 0.00 -0.37 -0.05 0.00 0.50 0.00 0.00 46.19 46.27 1u8r s LEU 151 CO 0.00 -0.10 0.05 0.68 -1.32 0.00 0.00 176.35 175.66 1u8r s VAL 152 N 1.18 1.30 -0.11 1.68 -7.23 0.14 -4.97 120.40 112.39 1u8r s VAL 152 Ca -0.07 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.08 1u8r s VAL 152 Cb -0.14 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 1u8r s VAL 152 CO -0.02 0.00 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.14 1u8r s ARG 153 N -3.81 3.24 0.60 4.82 3.52 -1.26 -0.44 118.95 125.62 1u8r s ARG 153 Ca 0.28 -0.49 0.29 0.00 -0.13 0.00 0.00 55.73 55.68 1u8r s ARG 153 Cb 0.07 -2.80 1.20 0.00 -1.56 0.00 0.00 34.95 31.86 1u8r s ARG 153 CO 0.14 0.48 1.55 -0.07 -0.81 0.00 0.00 175.30 176.59 1u8r h LEU 154 N 5.89 0.00 -0.29 -0.88 3.38 -1.38 1.06 115.31 123.08 1u8r h LEU 154 Ca -0.41 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.42 1u8r h LEU 154 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1u8r h LEU 154 CO 0.58 0.00 -0.64 0.71 0.09 0.00 0.00 178.44 179.18 1u8r h THR 155 N 0.00 1.19 -0.30 0.22 1.35 -1.85 -3.14 112.91 110.37 1u8r h THR 155 Ca 0.42 -2.42 -0.11 0.00 -0.55 0.00 0.00 66.41 63.76 1u8r h THR 155 Cb 2.34 2.41 -0.06 0.00 -1.73 0.00 0.00 68.15 71.11 1u8r h THR 155 CO -0.00 0.62 0.14 -0.62 -0.25 0.00 0.00 175.52 175.41 1u8r n GLU 156 N -3.40 1.91 -4.00 4.72 1.02 0.37 -4.83 120.64 116.43 1u8r n GLU 156 Ca 0.01 -1.15 -0.35 0.00 -0.02 0.00 0.00 57.16 55.65 1u8r n GLU 156 Cb 0.73 -1.60 -0.13 0.00 -0.02 0.00 0.00 31.44 30.43 1u8r n GLU 156 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1u8r s LEU 157 N -1.14 3.26 0.50 -4.62 2.96 -1.19 -4.82 118.68 113.63 1u8r s LEU 157 Ca 0.21 -0.22 -0.23 0.00 -0.22 0.00 0.00 54.13 53.67 1u8r s LEU 157 Cb 0.17 -1.84 -0.07 0.00 0.50 0.00 0.00 46.19 44.95 1u8r s LEU 157 CO 0.05 0.04 1.30 -0.81 -1.32 0.00 0.00 176.35 175.61 1u8r n PRO 158 N 4.41 1.76 -1.62 0.98 -0.04 -1.26 -4.88 135.00 134.34 1u8r n PRO 158 Ca -0.17 0.64 -0.22 0.00 -0.04 0.00 0.00 63.50 63.71 1u8r n PRO 158 Cb 0.52 -2.49 0.15 0.00 -0.04 0.00 0.00 33.50 31.64 1u8r n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u8r n ALA 159 N -0.75 -0.94 0.00 0.55 0.00 -1.26 -4.72 120.51 113.40 1u8r n ALA 159 Ca 0.09 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1u8r n ALA 159 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1u8r n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8r n GLY 160 N -1.68 1.17 3.84 0.00 0.00 -1.26 -5.00 105.19 102.26 1u8r n GLY 160 Ca 0.13 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 1u8r n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u8r s SER 161 N -4.00 6.77 1.06 1.61 0.15 -1.26 -4.86 113.70 113.17 1u8r s SER 161 Ca 0.00 0.92 -0.24 0.00 0.70 0.00 0.00 55.95 57.33 1u8r s SER 161 Cb 0.00 -2.24 -0.06 0.00 -1.71 0.00 0.00 66.02 62.02 1u8r s SER 161 CO 0.00 0.33 -0.84 -2.65 1.20 0.00 0.00 173.24 171.28 1u8r n PRO 162 N 1.87 -0.77 -3.78 5.44 -0.02 -1.26 -4.94 135.00 131.54 1u8r n PRO 162 Ca -0.14 -0.22 -0.13 0.00 -2.02 0.00 0.00 63.50 60.99 1u8r n PRO 162 Cb 0.53 -1.32 -0.12 0.00 -0.02 0.00 0.00 33.50 32.56 1u8r n PRO 162 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u8r s VAL 163 N -2.11 -0.01 -0.09 -1.45 1.01 -0.66 -4.95 120.40 112.16 1u8r s VAL 163 Ca 0.45 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 1u8r s VAL 163 Cb 0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1u8r s VAL 163 CO 0.66 0.01 0.64 0.00 0.00 0.00 0.00 175.10 176.41 1u8r s ALA 164 N 0.36 3.38 0.28 5.51 0.00 -1.26 -1.12 121.76 128.90 1u8r s ALA 164 Ca -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 1u8r s ALA 164 Cb -0.03 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1u8r s ALA 164 CO -0.01 -0.09 0.36 0.14 0.00 0.00 0.00 175.76 176.16 1u8r s VAL 165 N 0.79 0.00 -0.15 0.00 -7.23 0.03 -2.75 120.40 111.10 1u8r s VAL 165 Ca 0.34 -1.70 -0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1u8r s VAL 165 Cb -0.17 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.33 1u8r s VAL 165 CO 0.16 0.00 -0.08 0.54 -0.31 0.00 0.00 175.10 175.40 1u8r s VAL 166 N -3.65 1.21 -0.06 1.32 0.11 -0.81 -1.35 120.40 117.17 1u8r s VAL 166 Ca 0.32 -0.53 -0.35 0.00 -2.93 0.00 0.00 61.98 58.49 1u8r s VAL 166 Cb 0.02 -1.26 -0.13 0.00 -1.53 0.00 0.00 36.38 33.47 1u8r s VAL 166 CO 0.16 0.29 1.76 0.52 -3.33 0.00 0.00 175.10 174.49 1u8r n VAL 167 N 4.87 0.37 -0.06 2.04 0.31 -0.96 -2.28 118.33 122.62 1u8r n VAL 167 Ca -0.13 -0.07 -0.07 0.00 -0.01 0.00 0.00 64.34 64.06 1u8r n VAL 167 Cb 0.49 -1.62 -0.06 0.00 -0.91 0.00 0.00 33.84 31.74 1u8r n VAL 167 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1u8r n ARG 168 N 5.46 0.91 -3.91 5.55 5.12 -0.50 -0.37 116.66 128.92 1u8r n ARG 168 Ca 0.22 0.05 -0.10 0.00 -1.93 0.00 0.00 57.85 56.08 1u8r n ARG 168 Cb 0.26 -1.24 -0.10 0.00 -1.16 0.00 0.00 32.46 30.22 1u8r n ARG 168 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1u8r s GLN 169 N -2.23 0.45 -0.38 5.56 -0.21 -0.50 -4.38 119.66 117.97 1u8r s GLN 169 Ca -0.13 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 54.73 1u8r s GLN 169 Cb 0.04 0.18 0.13 0.00 1.00 0.00 0.00 33.01 34.36 1u8r s GLN 169 CO 0.30 -0.10 0.20 -0.51 -2.12 0.00 0.00 175.29 173.06 1u8r s LEU 170 N -1.53 1.82 0.82 2.90 1.43 -0.42 -2.41 118.68 121.29 1u8r s LEU 170 Ca -0.14 -2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 50.62 1u8r s LEU 170 Cb -0.07 -0.72 0.09 0.00 0.03 0.00 0.00 46.19 45.52 1u8r s LEU 170 CO -0.00 -0.32 1.18 0.42 0.23 0.00 0.00 176.35 177.86 1u8r s THR 171 N 0.94 2.20 0.34 5.49 -4.23 -0.68 -4.69 115.64 115.00 1u8r s THR 171 Ca 0.16 0.08 0.12 0.00 -1.18 0.00 0.00 61.69 60.87 1u8r s THR 171 Cb -0.22 -2.40 0.37 0.00 1.34 0.00 0.00 72.50 71.59 1u8r s THR 171 CO -0.06 -0.07 1.59 -0.33 -0.54 0.00 0.00 174.62 175.21 1u8r h GLU 172 N -1.10 0.05 -0.67 3.99 4.39 -1.95 -0.53 114.58 118.74 1u8r h GLU 172 Ca -0.45 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.37 1u8r h GLU 172 Cb 1.28 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.83 1u8r h GLU 172 CO 0.46 0.03 0.21 1.25 -1.16 0.00 0.00 179.01 179.80 1u8r h HIS 173 N 0.05 0.35 -0.30 4.33 2.76 -1.92 0.15 115.15 120.56 1u8r h HIS 173 Ca 0.72 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.81 1u8r h HIS 173 Cb 1.72 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.62 1u8r h HIS 173 CO -0.22 0.02 -0.31 -0.24 -1.30 0.00 0.00 177.93 175.89 1u8r h VAL 174 N 0.35 1.28 -0.07 5.26 3.04 -1.39 -1.86 116.25 122.85 1u8r h VAL 174 Ca 0.36 -1.43 0.02 0.00 -1.01 0.00 0.00 66.70 64.64 1u8r h VAL 174 Cb 0.53 1.38 -0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1u8r h VAL 174 CO -0.40 0.46 0.08 1.56 -1.01 0.00 0.00 177.57 178.27 1u8r h GLN 175 N 0.55 0.00 0.82 4.17 4.20 -0.60 -2.64 115.11 121.61 1u8r h GLN 175 Ca 0.06 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1u8r h GLN 175 Cb 0.80 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.59 1u8r h GLN 175 CO 0.07 0.00 -0.39 0.78 -0.67 0.00 0.00 178.83 178.61 1u8r h GLY 176 N 0.00 -1.15 -7.36 3.46 0.00 -0.17 -3.37 103.07 94.47 1u8r h GLY 176 Ca 0.03 0.43 -0.31 0.00 0.00 0.00 0.00 47.33 47.48 1u8r h GLY 176 CO -0.00 -0.42 0.86 -0.35 0.00 0.00 0.00 176.54 176.63 1u8r s ASP 177 N -4.27 4.84 0.41 0.19 3.68 -0.99 -4.80 116.67 115.72 1u8r s ASP 177 Ca -0.17 -0.06 0.08 0.00 2.13 0.00 0.00 52.55 54.52 1u8r s ASP 177 Cb 0.02 -2.54 0.86 0.00 -1.45 0.00 0.00 42.92 39.81 1u8r s ASP 177 CO 0.54 -2.90 2.03 -0.29 0.13 0.00 0.00 175.17 174.68 1u8r h ILE 178 N 7.30 1.11 -0.70 4.11 2.10 -1.82 -0.24 117.51 129.38 1u8r h ILE 178 Ca -0.05 -0.32 -0.06 0.00 1.08 0.00 0.00 64.86 65.51 1u8r h ILE 178 Cb 1.08 0.70 -0.03 0.00 -1.09 0.00 0.00 36.82 37.47 1u8r h ILE 178 CO 1.17 0.13 0.21 0.44 -1.08 0.00 0.00 178.15 179.02 1u8r h ASP 179 N 0.45 1.00 0.05 2.19 3.32 -1.95 -2.24 116.42 119.24 1u8r h ASP 179 Ca 0.12 -0.18 -0.16 0.00 0.02 0.00 0.00 57.03 56.82 1u8r h ASP 179 Cb 0.05 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 39.35 1u8r h ASP 179 CO -0.02 0.94 -0.66 0.25 -1.72 0.00 0.00 179.24 178.03 1u8r h LEU 180 N 1.03 0.49 -2.31 1.55 5.85 -1.74 -2.68 115.31 117.50 1u8r h LEU 180 Ca 0.23 -0.83 0.02 0.00 0.84 0.00 0.00 57.88 58.13 1u8r h LEU 180 Cb 0.30 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1u8r h LEU 180 CO -0.01 1.27 0.06 -0.29 -0.34 0.00 0.00 178.44 179.13 1u8r h ILE 181 N -0.22 0.61 0.02 4.05 6.09 -1.04 -0.07 117.51 126.96 1u8r h ILE 181 Ca -0.10 0.00 -0.10 0.00 -1.37 0.00 0.00 64.86 63.30 1u8r h ILE 181 Cb 1.41 0.96 0.01 0.00 0.47 0.00 0.00 36.82 39.67 1u8r h ILE 181 CO 0.13 0.00 -0.39 0.74 -3.07 0.00 0.00 178.15 175.56 1u8r h THR 182 N 0.00 1.55 -0.83 2.19 2.02 -1.41 -2.92 112.91 113.51 1u8r h THR 182 Ca 0.03 -2.13 0.05 0.00 0.77 0.00 0.00 66.41 65.13 1u8r h THR 182 Cb 0.14 2.89 -0.06 0.00 -1.74 0.00 0.00 68.15 69.38 1u8r h THR 182 CO -0.00 0.59 0.52 0.03 0.37 0.00 0.00 175.52 177.02 1u8r h ARG 183 N -0.46 0.94 -0.64 6.66 3.08 -0.99 -1.25 114.38 121.72 1u8r h ARG 183 Ca -0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1u8r h ARG 183 Cb 1.18 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 1u8r h ARG 183 CO 0.08 0.62 0.40 -0.07 -1.07 0.00 0.00 179.97 179.93 1u8r h LEU 184 N 0.97 0.74 -0.02 3.04 3.38 -1.09 0.49 115.31 122.81 1u8r h LEU 184 Ca 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1u8r h LEU 184 Cb 0.10 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1u8r h LEU 184 CO -0.15 0.56 -0.02 0.50 0.09 0.00 0.00 178.44 179.42 1u8r h LYS 185 N 0.87 0.05 -0.46 1.13 3.64 -1.10 0.11 116.57 120.82 1u8r h LYS 185 Ca 0.23 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1u8r h LYS 185 Cb -0.07 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1u8r h LYS 185 CO -0.05 0.48 0.31 -0.44 -2.27 0.00 0.00 179.45 177.48 1u8r h ASP 186 N -0.38 0.35 -0.45 4.20 3.45 -0.85 0.11 116.42 122.86 1u8r h ASP 186 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1u8r h ASP 186 Cb 0.47 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 1u8r h ASP 186 CO 0.00 0.24 0.00 0.00 -1.57 0.00 0.00 179.24 177.91 1u8r n ALA 187 N -2.51 2.54 -0.38 3.45 0.00 0.13 -4.92 120.51 118.82 1u8r n ALA 187 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1u8r n ALA 187 Cb 0.22 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1u8r n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8r n GLY 188 N 1.13 0.93 3.56 0.00 0.00 0.38 -4.87 105.19 106.32 1u8r n GLY 188 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1u8r n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8r s VAL 189 N -2.19 3.20 0.26 1.61 1.01 0.33 -4.82 120.40 119.80 1u8r s VAL 189 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1u8r s VAL 189 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1u8r s VAL 189 CO 0.00 -0.41 0.31 0.68 0.00 0.00 0.00 175.10 175.68 1u8r s VAL 190 N 13.22 0.00 0.24 2.92 -7.23 -1.26 -4.53 120.40 123.75 1u8r s VAL 190 Ca 0.82 -1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 58.92 1u8r s VAL 190 Cb -0.09 -2.46 -0.15 0.00 0.56 0.00 0.00 36.38 34.24 1u8r s VAL 190 CO 0.07 0.00 0.99 -2.65 -0.31 0.00 0.00 175.10 173.20 1u8r n PRO 191 N -0.41 1.09 -3.24 4.82 -0.02 -1.26 -2.94 135.00 133.04 1u8r n PRO 191 Ca 0.02 0.39 -0.14 0.00 -2.02 0.00 0.00 63.50 61.74 1u8r n PRO 191 Cb 0.63 -1.75 0.06 0.00 -0.02 0.00 0.00 33.50 32.43 1u8r n PRO 191 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1u8r n ASN 192 N 1.58 -6.74 -3.68 2.55 3.02 0.51 -4.98 115.26 107.51 1u8r n ASN 192 Ca 0.13 -0.65 -0.17 0.00 -0.03 0.00 0.00 54.58 53.85 1u8r n ASN 192 Cb 0.28 -5.17 -0.16 0.00 -0.61 0.00 0.00 39.78 34.12 1u8r n ASN 192 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u8r s ALA 193 N -3.35 -0.08 0.12 5.41 0.00 -1.15 -4.97 121.76 117.73 1u8r s ALA 193 Ca 0.41 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1u8r s ALA 193 Cb -0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 23.12 22.27 1u8r s ALA 193 CO 0.74 -0.50 1.09 1.03 0.00 0.00 0.00 175.76 178.12 1u8r s ARG 194 N 2.14 4.57 0.08 0.00 0.52 -1.26 -2.27 118.95 122.73 1u8r s ARG 194 Ca 0.02 1.65 -0.26 0.00 -0.52 0.00 0.00 55.73 56.63 1u8r s ARG 194 Cb -0.12 -3.33 0.08 0.00 0.52 0.00 0.00 34.95 32.10 1u8r s ARG 194 CO -0.05 -0.00 0.73 0.54 0.02 0.00 0.00 175.30 176.54 1u8r s VAL 195 N 0.27 0.00 0.06 3.52 0.11 -0.46 -4.78 120.40 119.11 1u8r s VAL 195 Ca 0.52 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.62 1u8r s VAL 195 Cb -0.27 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 1u8r s VAL 195 CO 0.32 0.00 -0.09 0.42 -3.33 0.00 0.00 175.10 172.42 1u8r s THR 196 N -3.46 3.47 0.03 5.04 -4.23 -1.14 -0.79 115.64 114.56 1u8r s THR 196 Ca 0.03 -1.04 0.04 0.00 -1.18 0.00 0.00 61.69 59.54 1u8r s THR 196 Cb -0.01 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 1u8r s THR 196 CO -0.11 0.25 -0.13 0.68 -0.54 0.00 0.00 174.62 174.77 1u8r s VAL 197 N -1.11 0.99 -0.02 2.29 -7.23 -0.27 0.43 120.40 115.48 1u8r s VAL 197 Ca 0.19 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1u8r s VAL 197 Cb -0.11 -0.89 0.02 0.00 0.56 0.00 0.00 36.38 35.96 1u8r s VAL 197 CO 0.11 0.03 0.01 -0.70 -0.31 0.00 0.00 175.10 174.24 1u8r s GLU 198 N -0.94 0.13 0.04 4.82 2.12 -0.33 -1.65 118.70 122.90 1u8r s GLU 198 Ca 0.01 0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.12 1u8r s GLU 198 Cb -0.07 -0.30 -0.08 0.00 0.26 0.00 0.00 34.13 33.94 1u8r s GLU 198 CO 0.01 -0.10 1.76 0.99 -0.54 0.00 0.00 175.26 177.37 1u8r s THR 199 N 0.75 3.07 0.73 -1.70 2.01 -1.26 -0.80 115.64 118.44 1u8r s THR 199 Ca -0.07 0.35 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 1u8r s THR 199 Cb -0.10 -3.23 0.05 0.00 0.01 0.00 0.00 72.50 69.23 1u8r s THR 199 CO -0.02 -0.01 1.09 0.28 -0.69 0.00 0.00 174.62 175.27 1u8r s THR 200 N 3.40 2.61 0.15 -0.82 -1.32 -0.99 -4.74 115.64 113.92 1u8r s THR 200 Ca 0.78 0.05 -0.16 0.00 -1.21 0.00 0.00 61.69 61.15 1u8r s THR 200 Cb -0.40 -3.16 0.01 0.00 -1.51 0.00 0.00 72.50 67.44 1u8r s THR 200 CO 0.35 -0.20 1.77 -0.65 -2.21 0.00 0.00 174.62 173.68 1u8r h PRO 201 N -0.75 0.36 -2.62 7.08 0.11 -1.95 -3.19 132.00 131.04 1u8r h PRO 201 Ca -0.45 -0.02 -0.56 0.00 0.11 0.00 0.00 66.00 65.08 1u8r h PRO 201 Cb 1.30 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1u8r h PRO 201 CO 0.63 0.24 2.34 0.41 -0.21 0.00 0.00 178.00 181.41 1u8r n GLY 202 N -1.21 4.13 2.69 -0.55 0.00 -1.26 -4.71 105.19 104.28 1u8r n GLY 202 Ca 0.01 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1u8r n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8r n GLY 203 N 2.79 0.00 0.00 -0.02 0.00 -1.20 -4.50 105.19 102.26 1u8r n GLY 203 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1u8r n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8r n GLY 204 N 0.03 -0.99 3.40 -0.02 0.00 -1.26 -4.25 105.19 102.11 1u8r n GLY 204 Ca 0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 1u8r n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8r s VAL 205 N -0.15 0.01 -0.15 1.61 1.01 -0.60 -2.35 120.40 119.78 1u8r s VAL 205 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1u8r s VAL 205 Cb 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1u8r s VAL 205 CO 0.00 -0.03 -0.19 -0.89 0.00 0.00 0.00 175.10 173.99 1u8r s THR 206 N -0.07 2.31 -0.22 3.92 2.01 0.02 -0.54 115.64 123.06 1u8r s THR 206 Ca -0.03 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 60.97 1u8r s THR 206 Cb -0.03 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1u8r s THR 206 CO 0.02 0.53 0.21 -0.63 -0.69 0.00 0.00 174.62 174.06 1u8r s ILE 207 N 0.88 5.33 -0.46 1.82 1.01 0.69 -1.19 121.20 129.27 1u8r s ILE 207 Ca -0.05 0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.79 1u8r s ILE 207 Cb -0.15 -3.55 0.09 0.00 0.01 0.00 0.00 42.46 38.86 1u8r s ILE 207 CO -0.02 0.34 0.34 -0.69 0.00 0.00 0.00 174.94 174.90 1u8r s VAL 208 N 1.01 4.58 -0.29 2.92 1.01 0.17 -1.96 120.40 127.84 1u8r s VAL 208 Ca 0.10 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 1u8r s VAL 208 Cb -0.13 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1u8r s VAL 208 CO 0.04 -0.62 0.43 -0.63 0.00 0.00 0.00 175.10 174.32 1u8r s ILE 209 N 1.48 5.12 -0.37 2.22 1.09 -1.26 -2.88 121.20 126.60 1u8r s ILE 209 Ca 0.04 0.52 -0.27 0.00 -1.10 0.00 0.00 60.65 59.84 1u8r s ILE 209 Cb -0.25 -3.79 -0.06 0.00 -1.06 0.00 0.00 42.46 37.30 1u8r s ILE 209 CO 0.03 0.04 2.33 -0.81 -0.10 0.00 0.00 174.94 176.43 1u8r n PRO 210 N 5.46 1.44 0.00 2.79 -0.04 -1.26 -1.93 135.00 141.46 1u8r n PRO 210 Ca -0.07 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1u8r n PRO 210 Cb 0.50 -3.33 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 1u8r n PRO 210 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u8r n GLY 211 N 5.92 0.63 3.50 0.55 0.00 -1.26 -5.09 105.19 109.44 1u8r n GLY 211 Ca 0.34 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1u8r n GLY 211 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u8r s HIS 212 N -0.98 2.34 0.85 1.61 3.76 -0.81 -5.11 115.29 116.94 1u8r s HIS 212 Ca 0.00 -0.38 -0.15 0.00 -0.15 0.00 0.00 55.06 54.38 1u8r s HIS 212 Cb 0.00 -1.12 -0.05 0.00 1.11 0.00 0.00 32.58 32.51 1u8r s HIS 212 CO 0.00 0.67 0.07 0.39 -0.85 0.00 0.00 174.74 175.02 1u8r n GLU 213 N -0.69 -0.00 -1.57 1.40 -0.58 -1.26 -4.36 120.64 113.58 1u8r n GLU 213 Ca -0.05 0.03 -0.30 0.00 -0.42 0.00 0.00 57.16 56.42 1u8r n GLU 213 Cb 0.61 -1.54 0.09 0.00 -0.57 0.00 0.00 31.44 30.03 1u8r n GLU 213 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1u8r s ASN 214 N -1.48 4.49 -0.05 1.62 0.01 -1.26 -4.54 114.94 113.73 1u8r s ASN 214 Ca 0.55 1.28 -0.02 0.00 -0.71 0.00 0.00 52.86 53.96 1u8r s ASN 214 Cb -0.27 -2.01 0.04 0.00 0.41 0.00 0.00 41.25 39.42 1u8r s ASN 214 CO 0.69 -1.97 0.09 0.54 -1.51 0.00 0.00 177.10 174.93 1u8r s VAL 215 N -3.17 -0.11 -0.11 1.60 0.11 -0.83 -5.01 120.40 112.87 1u8r s VAL 215 Ca 0.61 0.30 -0.02 0.00 -2.93 0.00 0.00 61.98 59.94 1u8r s VAL 215 Cb -0.14 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1u8r s VAL 215 CO 0.54 0.12 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.50 1u8r s THR 216 N 1.65 3.85 -0.07 5.04 2.01 -1.26 -0.23 115.64 126.64 1u8r s THR 216 Ca -0.03 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1u8r s THR 216 Cb -0.12 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1u8r s THR 216 CO -0.04 0.55 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.59 1u8r s LEU 217 N -0.21 3.04 0.86 4.42 1.43 0.30 -4.99 118.68 123.54 1u8r s LEU 217 Ca 0.03 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 1u8r s LEU 217 Cb -0.13 -1.65 0.11 0.00 0.03 0.00 0.00 46.19 44.55 1u8r s LEU 217 CO 0.02 0.35 1.10 -2.84 0.23 0.00 0.00 176.35 175.21 1u8r s PRO 218 N -0.74 1.53 0.21 1.29 0.02 -1.26 -1.56 135.00 134.49 1u8r s PRO 218 Ca 0.11 0.68 -0.13 0.00 0.02 0.00 0.00 61.00 61.68 1u8r s PRO 218 Cb -0.11 -1.85 0.24 0.00 0.02 0.00 0.00 34.50 32.80 1u8r s PRO 218 CO 0.01 -2.02 1.63 1.25 -0.33 0.00 0.00 177.00 177.55 1u8r h HIS 219 N -1.38 -0.29 0.18 6.54 -0.00 -1.79 -1.00 115.15 117.42 1u8r h HIS 219 Ca -0.49 0.05 0.01 0.00 -0.00 0.00 0.00 60.37 59.95 1u8r h HIS 219 Cb 1.28 0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 28.89 1u8r h HIS 219 CO 0.42 -0.25 -0.29 1.05 -0.00 0.00 0.00 177.93 178.86 1u8r h GLU 220 N 0.01 -0.52 -0.52 5.26 4.11 -1.91 -1.72 114.58 119.29 1u8r h GLU 220 Ca 0.30 0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.83 1u8r h GLU 220 Cb 0.47 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1u8r h GLU 220 CO -0.62 -0.35 0.35 0.52 0.07 0.00 0.00 179.01 178.98 1u8r h MET 221 N -0.54 0.43 -0.63 1.06 2.86 -1.80 -1.55 114.93 114.76 1u8r h MET 221 Ca 0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1u8r h MET 221 Cb 0.54 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1u8r h MET 221 CO -0.12 0.29 0.38 0.00 1.06 0.00 0.00 176.91 178.52 1u8r h ALA 222 N 1.72 0.80 -0.07 6.32 0.00 -0.34 -1.22 119.26 126.48 1u8r h ALA 222 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1u8r h ALA 222 Cb 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1u8r h ALA 222 CO -0.06 0.27 0.35 0.45 0.00 0.00 0.00 179.25 180.25 1u8r h HIS 223 N 0.85 0.00 -0.61 0.00 -0.00 -0.56 -1.44 115.15 113.39 1u8r h HIS 223 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1u8r h HIS 223 Cb -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1u8r h HIS 223 CO -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.91 1u8r n ALA 224 N -1.97 3.23 -3.92 2.45 0.00 -0.46 -4.62 120.51 115.22 1u8r n ALA 224 Ca -0.01 -1.57 -0.29 0.00 0.00 0.00 0.00 53.44 51.58 1u8r n ALA 224 Cb 0.41 -1.05 -0.17 0.00 0.00 0.00 0.00 19.45 18.65 1u8r n ALA 224 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u8r s VAL 225 N -2.00 1.41 -0.14 0.00 1.01 -0.54 -1.69 120.40 118.44 1u8r s VAL 225 Ca 0.50 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1u8r s VAL 225 Cb 0.33 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1u8r s VAL 225 CO 0.22 0.43 0.01 -0.54 0.00 0.00 0.00 175.10 175.22 1u8r s LYS 226 N 1.44 3.56 0.31 2.72 1.02 -1.01 -1.41 119.74 126.38 1u8r s LYS 226 Ca 0.03 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.63 1u8r s LYS 226 Cb -0.13 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 34.15 1u8r s LYS 226 CO -0.08 0.41 0.10 0.14 -0.92 0.00 0.00 175.35 174.99 1u8r s VAL 227 N -0.05 0.73 -0.17 3.17 -7.23 0.41 -1.41 120.40 115.86 1u8r s VAL 227 Ca 0.04 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1u8r s VAL 227 Cb -0.13 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.21 1u8r s VAL 227 CO 0.02 0.00 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.91 1u8r s GLU 228 N -3.90 2.96 -0.36 4.82 2.12 -0.97 -0.68 118.70 122.70 1u8r s GLU 228 Ca 0.35 -0.82 -0.27 0.00 0.36 0.00 0.00 54.97 54.58 1u8r s GLU 228 Cb 0.07 -2.51 -0.05 0.00 0.26 0.00 0.00 34.13 31.90 1u8r s GLU 228 CO 0.15 -0.16 2.20 0.15 -0.54 0.00 0.00 175.26 177.07 1u8r s LYS 229 N 1.17 2.74 0.00 4.30 1.02 -1.26 -1.92 119.74 125.79 1u8r s LYS 229 Ca 0.02 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.62 1u8r s LYS 229 Cb -0.14 -4.43 0.00 0.00 -0.52 0.00 0.00 37.83 32.74 1u8r s LYS 229 CO -0.10 -2.55 0.00 0.28 -0.92 0.00 0.00 175.35 172.06