#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 -0.10 3.17 2.85 -1.26 -4.98 115.26 114.93 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 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 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 -0.38 0.00 1.20 4.57 -2.04 -2.22 114.58 115.71 1u8r h GLU 3 Ca 0.00 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1u8r h GLU 3 Cb 0.00 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1u8r h GLU 3 CO 0.00 -0.26 -0.17 -0.07 -1.18 0.00 0.00 179.01 177.34 1u8r h LEU 4 N -0.40 0.00 0.00 1.64 3.38 -1.98 -3.47 115.31 114.48 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 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1u8r h LEU 4 CO -0.52 0.17 0.00 0.52 0.09 0.00 0.00 178.44 178.70 1u8r n VAL 5 N -3.33 0.00 -3.45 1.22 0.31 -0.84 -4.71 118.33 107.53 1u8r n VAL 5 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.14 1u8r n VAL 5 Cb 0.40 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.21 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 1.94 0.06 4.52 3.68 -1.26 -4.86 116.67 120.74 1u8r s ASP 6 Ca 0.00 -0.69 -0.21 0.00 2.13 0.00 0.00 52.55 53.78 1u8r s ASP 6 Cb 0.00 0.31 -0.09 0.00 -1.45 0.00 0.00 42.92 41.69 1u8r s ASP 6 CO 0.00 -0.38 1.33 0.74 0.13 0.00 0.00 175.17 176.99 1u8r h THR 7 N 6.31 0.00 -0.67 1.71 2.02 -1.99 -2.30 112.91 117.99 1u8r h THR 7 Ca -0.16 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.13 1u8r h THR 7 Cb 1.09 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.38 1u8r h THR 7 CO 0.34 0.00 -0.37 0.74 0.37 0.00 0.00 175.52 176.60 1u8r h THR 8 N -0.45 0.12 -0.18 3.16 2.02 -1.98 -0.54 112.91 115.06 1u8r h THR 8 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1u8r h THR 8 Cb 0.46 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 1u8r h THR 8 CO -0.18 0.00 -0.07 -0.33 0.37 0.00 0.00 175.52 175.31 1u8r h GLU 9 N -0.15 -0.05 -0.23 6.66 5.08 -1.97 -0.20 114.58 123.72 1u8r h GLU 9 Ca 0.24 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1u8r h GLU 9 Cb 0.56 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1u8r h GLU 9 CO -0.74 -0.03 0.16 0.52 -1.00 0.00 0.00 179.01 177.92 1u8r h MET 10 N -0.05 0.20 -0.23 2.33 2.86 -0.65 0.23 114.93 119.63 1u8r h MET 10 Ca 0.10 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1u8r h MET 10 Cb 0.19 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1u8r h MET 10 CO -0.21 0.13 -0.21 1.88 1.06 0.00 0.00 176.91 179.55 1u8r h TYR 11 N 0.20 0.65 0.07 -0.22 -1.99 -0.24 -0.99 116.97 114.46 1u8r h TYR 11 Ca 0.10 -0.19 -0.00 0.00 2.00 0.00 0.00 58.73 60.63 1u8r h TYR 11 Cb 0.14 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 1u8r h TYR 11 CO -0.00 0.88 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.91 1u8r h LEU 12 N 0.24 -0.13 -1.91 3.88 3.38 0.41 -1.47 115.31 119.71 1u8r h LEU 12 Ca 0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1u8r h LEU 12 Cb 0.76 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1u8r h LEU 12 CO 0.05 -0.09 -0.12 -0.09 0.09 0.00 0.00 178.44 178.29 1u8r h ARG 13 N -0.13 0.00 -0.04 1.13 2.43 -0.59 -1.11 114.38 116.07 1u8r h ARG 13 Ca -0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 1u8r h ARG 13 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1u8r h ARG 13 CO -0.00 0.12 -0.88 1.15 -1.51 0.00 0.00 179.97 178.85 1u8r h THR 14 N 0.00 1.37 0.36 0.20 2.02 -0.63 -0.93 112.91 115.29 1u8r h THR 14 Ca -0.00 -2.29 -0.01 0.00 0.77 0.00 0.00 66.41 64.88 1u8r h THR 14 Cb 0.28 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1u8r h THR 14 CO 0.02 0.69 -0.23 0.40 0.37 0.00 0.00 175.52 176.76 1u8r h ILE 15 N 0.29 0.51 -0.33 3.11 1.08 -0.41 -0.98 117.51 120.79 1u8r h ILE 15 Ca -0.07 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.48 1u8r h ILE 15 Cb 1.50 0.51 -0.08 0.00 -3.07 0.00 0.00 36.82 35.68 1u8r h ILE 15 CO 0.16 0.00 -0.19 0.22 -0.69 0.00 0.00 178.15 177.65 1u8r h TYR 16 N -0.57 -0.48 -0.82 1.37 5.03 -1.19 -1.55 116.97 118.76 1u8r h TYR 16 Ca -0.04 0.04 0.11 0.00 2.58 0.00 0.00 58.73 61.42 1u8r h TYR 16 Cb 0.48 0.26 -0.08 0.00 1.55 0.00 0.00 36.73 38.95 1u8r h TYR 16 CO -0.10 -0.27 0.45 -0.44 -1.32 0.00 0.00 178.16 176.48 1u8r h ASP 17 N -0.14 0.62 -0.45 -2.11 3.32 -0.89 -0.03 116.42 116.73 1u8r h ASP 17 Ca 0.17 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1u8r h ASP 17 Cb 0.40 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1u8r h ASP 17 CO -0.42 0.33 0.29 -0.07 -1.72 0.00 0.00 179.24 177.66 1u8r h LEU 18 N 0.73 0.53 0.11 1.55 3.38 -0.22 -0.10 115.31 121.28 1u8r h LEU 18 Ca 0.41 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 1u8r h LEU 18 Cb 0.43 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1u8r h LEU 18 CO -0.28 0.40 -0.06 -0.33 0.09 0.00 0.00 178.44 178.26 1u8r h GLU 19 N 0.61 -0.16 -0.67 1.13 5.08 -0.56 -0.56 114.58 119.45 1u8r h GLU 19 Ca 0.17 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.73 1u8r h GLU 19 Cb -0.05 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1u8r h GLU 19 CO -0.03 -0.11 0.49 1.49 -1.00 0.00 0.00 179.01 179.85 1u8r h GLU 20 N -0.16 0.00 0.00 2.33 4.81 -0.60 0.61 114.58 121.57 1u8r h GLU 20 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1u8r h GLU 20 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1u8r h GLU 20 CO 0.02 0.00 -0.44 0.39 -0.73 0.00 0.00 179.01 178.24 1u8r n GLU 21 N -4.28 0.08 -1.05 1.92 1.02 -0.09 -4.95 120.64 113.29 1u8r n GLU 21 Ca 0.13 0.02 -0.02 0.00 -0.02 0.00 0.00 57.16 57.28 1u8r n GLU 21 Cb 0.75 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.61 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 1.46 0.53 3.80 0.62 0.00 0.21 -4.75 105.19 107.06 1u8r n GLY 22 Ca 0.05 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.05 4.50 -0.04 1.61 -7.23 -0.72 -5.01 120.40 111.45 1u8r s VAL 23 Ca 0.00 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.82 1u8r s VAL 23 Cb 0.00 -3.28 -0.05 0.00 0.56 0.00 0.00 36.38 33.61 1u8r s VAL 23 CO 0.00 -0.09 1.47 -0.89 -0.31 0.00 0.00 175.10 175.28 1u8r s THR 24 N -1.72 3.73 -1.11 5.32 2.01 -1.26 -4.22 115.64 118.40 1u8r s THR 24 Ca 0.31 1.02 -0.25 0.00 0.31 0.00 0.00 61.69 63.08 1u8r s THR 24 Cb -0.10 -3.65 -0.15 0.00 0.01 0.00 0.00 72.50 68.60 1u8r s THR 24 CO 0.23 -0.05 2.04 -2.84 -0.69 0.00 0.00 174.62 173.31 1u8r s PRO 25 N 3.14 1.87 0.23 4.92 0.02 -1.26 -4.93 135.00 138.99 1u8r s PRO 25 Ca 0.66 -0.72 0.05 0.00 0.02 0.00 0.00 61.00 61.01 1u8r s PRO 25 Cb -0.31 -5.10 -0.03 0.00 0.02 0.00 0.00 34.50 29.08 1u8r s PRO 25 CO 0.26 -4.66 0.32 -0.51 -0.33 0.00 0.00 177.00 172.08 1u8r s LEU 26 N 13.83 4.22 0.32 -5.54 1.43 -1.26 0.58 118.68 132.26 1u8r s LEU 26 Ca 0.75 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1u8r s LEU 26 Cb -0.04 -2.76 0.53 0.00 0.03 0.00 0.00 46.19 43.95 1u8r s LEU 26 CO 0.14 -0.05 1.85 0.03 0.23 0.00 0.00 176.35 178.56 1u8r h ARG 27 N 1.33 0.63 -0.99 1.70 3.08 -1.92 -2.15 114.38 116.05 1u8r h ARG 27 Ca -0.51 -0.13 0.15 0.00 0.07 0.00 0.00 59.98 59.55 1u8r h ARG 27 Cb 1.23 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 31.09 1u8r h ARG 27 CO 0.62 0.62 0.61 0.00 -1.07 0.00 0.00 179.97 180.75 1u8r h ALA 28 N 1.44 1.55 0.28 0.04 0.00 -1.97 -1.83 119.26 118.77 1u8r h ALA 28 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1u8r h ALA 28 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u8r h ALA 28 CO 0.01 0.11 -0.21 0.00 0.00 0.00 0.00 179.25 179.15 1u8r h ARG 29 N 0.89 -0.47 -0.89 0.00 2.47 -1.74 -2.49 114.38 112.14 1u8r h ARG 29 Ca 0.52 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 59.41 1u8r h ARG 29 Cb 0.64 0.11 -0.09 0.00 -1.65 0.00 0.00 29.97 28.98 1u8r h ARG 29 CO -0.31 -0.32 0.51 0.82 0.56 0.00 0.00 179.97 181.23 1u8r h ILE 30 N -0.49 0.82 -0.51 2.04 2.04 -1.34 -0.92 117.51 119.15 1u8r h ILE 30 Ca -0.02 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1u8r h ILE 30 Cb 0.43 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1u8r h ILE 30 CO -0.01 0.14 0.32 0.00 0.00 0.00 0.00 178.15 178.60 1u8r h ALA 31 N 1.54 0.65 0.33 1.87 0.00 -1.11 0.01 119.26 122.53 1u8r h ALA 31 Ca 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1u8r h ALA 31 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1u8r h ALA 31 CO -0.31 0.05 -0.16 0.93 0.00 0.00 0.00 179.25 179.75 1u8r h GLU 32 N 0.64 -0.43 0.00 0.00 5.08 -0.81 -0.47 114.58 118.60 1u8r h GLU 32 Ca 0.19 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1u8r h GLU 32 Cb -0.03 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1u8r h GLU 32 CO -0.07 -0.21 -0.25 0.00 -1.00 0.00 0.00 179.01 177.48 1u8r h ARG 33 N -0.55 0.00 -0.21 2.33 3.08 -1.09 -2.86 114.38 115.08 1u8r h ARG 33 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1u8r h ARG 33 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1u8r h ARG 33 CO 0.07 0.25 0.00 1.28 -1.07 0.00 0.00 179.97 180.50 1u8r n LEU 34 N -3.61 2.65 -3.59 3.04 4.77 -0.02 -5.00 117.00 115.23 1u8r n LEU 34 Ca -0.01 -1.43 -0.26 0.00 -0.03 0.00 0.00 56.01 54.28 1u8r n LEU 34 Cb 0.38 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1u8r n LEU 34 CO 0.34 0.58 -0.03 -0.67 -1.33 0.00 0.00 177.39 176.27 1u8r n ASP 35 N 0.83 -5.67 -4.12 -1.43 -0.08 -0.29 -5.02 116.55 100.77 1u8r n ASP 35 Ca 0.11 -0.88 -0.12 0.00 -1.51 0.00 0.00 54.79 52.39 1u8r n ASP 35 Cb 0.42 -3.52 -0.11 0.00 2.34 0.00 0.00 41.12 40.25 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 -5.41 0.70 0.81 -0.67 -0.21 -0.60 -5.05 119.66 109.23 1u8r s GLN 36 Ca 0.37 -1.07 -0.11 0.00 0.02 0.00 0.00 55.36 54.57 1u8r s GLN 36 Cb -0.12 -0.27 0.08 0.00 1.00 0.00 0.00 33.01 33.69 1u8r s GLN 36 CO 0.85 0.02 1.10 -1.54 -2.12 0.00 0.00 175.29 173.59 1u8r s SER 37 N -2.35 4.14 0.11 5.90 1.04 -1.26 -4.60 113.70 116.68 1u8r s SER 37 Ca 0.02 1.82 -0.23 0.00 0.48 0.00 0.00 55.95 58.03 1u8r s SER 37 Cb -0.02 -2.48 -0.09 0.00 0.10 0.00 0.00 66.02 63.53 1u8r s SER 37 CO -0.02 -2.27 1.70 1.23 0.98 0.00 0.00 173.24 174.86 1u8r h GLY 38 N -1.29 -0.08 0.53 7.32 0.00 -1.97 -2.13 103.07 105.45 1u8r h GLY 38 Ca -0.44 0.10 0.13 0.00 0.00 0.00 0.00 47.33 47.12 1u8r h GLY 38 CO 0.51 -0.09 0.59 -2.55 0.00 0.00 0.00 176.54 174.99 1u8r h PRO 39 N -0.14 0.79 0.41 4.80 0.11 -1.99 -1.46 132.00 134.52 1u8r h PRO 39 Ca 0.04 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1u8r h PRO 39 Cb 0.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1u8r h PRO 39 CO -0.10 0.52 -0.20 1.15 -0.21 0.00 0.00 178.00 179.17 1u8r h THR 40 N 0.82 0.57 -0.71 -1.15 2.02 -1.77 -1.74 112.91 110.95 1u8r h THR 40 Ca 0.46 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 67.34 1u8r h THR 40 Cb 0.60 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1u8r h THR 40 CO -0.22 0.06 0.47 -0.37 0.37 0.00 0.00 175.52 175.83 1u8r h VAL 41 N -0.76 1.05 0.52 3.16 -1.51 -0.89 -0.83 116.25 116.98 1u8r h VAL 41 Ca -0.06 -0.27 -0.03 0.00 -1.23 0.00 0.00 66.70 65.12 1u8r h VAL 41 Cb 0.53 0.21 0.01 0.00 -2.13 0.00 0.00 31.29 29.90 1u8r h VAL 41 CO 0.09 0.14 -0.25 0.28 -1.23 0.00 0.00 177.57 176.60 1u8r h SER 42 N 0.77 -0.59 -0.94 4.19 0.02 -1.15 0.12 113.55 115.97 1u8r h SER 42 Ca 0.30 -0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.29 1u8r h SER 42 Cb 0.19 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.81 1u8r h SER 42 CO -0.09 -0.27 0.58 -0.61 -1.14 0.00 0.00 176.83 175.30 1u8r h GLN 43 N -0.92 0.93 -0.56 3.45 4.15 -1.09 -1.15 115.11 119.92 1u8r h GLN 43 Ca -0.07 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.20 1u8r h GLN 43 Cb 0.61 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1u8r h GLN 43 CO 0.12 0.62 -0.03 1.15 -1.93 0.00 0.00 178.83 178.75 1u8r h THR 44 N 0.96 1.26 -0.70 2.39 2.02 -0.99 -2.28 112.91 115.58 1u8r h THR 44 Ca 0.45 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1u8r h THR 44 Cb 0.39 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1u8r h THR 44 CO -0.24 0.42 0.41 0.58 0.37 0.00 0.00 175.52 177.05 1u8r h VAL 45 N 0.91 1.21 -0.08 3.16 2.07 0.39 -1.96 116.25 121.94 1u8r h VAL 45 Ca 0.16 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1u8r h VAL 45 Cb 0.58 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1u8r h VAL 45 CO 0.03 0.22 -0.22 0.28 0.02 0.00 0.00 177.57 177.91 1u8r h SER 46 N 0.96 -0.66 -0.98 0.57 0.02 -0.87 0.75 113.55 113.34 1u8r h SER 46 Ca 0.25 0.10 0.17 0.00 -0.84 0.00 0.00 61.79 61.47 1u8r h SER 46 Cb -0.00 0.29 -0.10 0.00 0.14 0.00 0.00 62.40 62.72 1u8r h SER 46 CO -0.04 -0.27 0.58 0.03 -1.14 0.00 0.00 176.83 175.99 1u8r h ARG 47 N -0.30 0.76 -0.23 3.45 3.08 -1.14 0.68 114.38 120.67 1u8r h ARG 47 Ca 0.08 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1u8r h ARG 47 Cb 0.42 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1u8r h ARG 47 CO -0.25 0.50 -0.18 0.52 -1.07 0.00 0.00 179.97 179.49 1u8r h MET 48 N 0.78 0.53 -0.51 0.04 2.86 -0.25 -2.48 114.93 115.90 1u8r h MET 48 Ca 0.55 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.91 1u8r h MET 48 Cb 0.79 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1u8r h MET 48 CO -0.36 0.83 0.25 1.49 1.06 0.00 0.00 176.91 180.18 1u8r h GLU 49 N 0.23 0.73 -0.00 1.72 4.81 0.19 -1.38 114.58 120.87 1u8r h GLU 49 Ca 0.04 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1u8r h GLU 49 Cb 0.71 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1u8r h GLU 49 CO 0.05 0.60 0.02 -0.09 -0.73 0.00 0.00 179.01 178.86 1u8r h ARG 50 N 0.67 0.00 -0.31 1.92 2.43 0.37 0.94 114.38 120.41 1u8r h ARG 50 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1u8r h ARG 50 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1u8r h ARG 50 CO -0.02 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.19 1u8r n ASP 51 N -3.08 4.07 -3.78 -3.80 8.00 -0.60 -4.98 116.55 112.37 1u8r n ASP 51 Ca -0.03 -2.95 -0.24 0.00 0.71 0.00 0.00 54.79 52.28 1u8r n ASP 51 Cb 0.09 -0.55 0.01 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 -0.31 -0.37 0.01 0.44 0.00 0.32 -4.89 105.19 100.39 1u8r n GLY 52 Ca 0.22 0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.47 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 -4.28 0.00 -3.80 0.99 4.77 -0.74 -4.29 117.00 109.64 1u8r n LEU 53 Ca -0.27 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.66 1u8r n LEU 53 Cb 0.67 0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.79 1u8r n LEU 53 CO 0.71 0.04 0.63 -1.48 -1.33 0.00 0.00 177.39 175.95 1u8r s LEU 54 N -4.04 -0.19 0.02 2.23 0.05 -1.26 -2.11 118.68 113.39 1u8r s LEU 54 Ca -0.05 -0.53 0.01 0.00 0.05 0.00 0.00 54.13 53.61 1u8r s LEU 54 Cb 0.08 2.39 -0.01 0.00 -2.05 0.00 0.00 46.19 46.59 1u8r s LEU 54 CO 0.54 -1.10 -0.04 -0.13 -0.55 0.00 0.00 176.35 175.06 1u8r s ARG 55 N -3.40 0.34 -0.33 1.48 0.52 0.50 -4.24 118.95 113.82 1u8r s ARG 55 Ca 0.12 -0.43 -0.15 0.00 -0.52 0.00 0.00 55.73 54.75 1u8r s ARG 55 Cb -0.03 -0.16 -0.02 0.00 0.52 0.00 0.00 34.95 35.27 1u8r s ARG 55 CO 0.05 0.03 0.38 0.08 0.02 0.00 0.00 175.30 175.85 1u8r s VAL 56 N -0.82 5.15 0.20 3.52 1.01 -1.26 -1.23 120.40 126.96 1u8r s VAL 56 Ca -0.07 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1u8r s VAL 56 Cb -0.06 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.56 1u8r s VAL 56 CO -0.00 -0.06 0.16 0.00 0.00 0.00 0.00 175.10 175.20 1u8r n ALA 57 N 5.41 -0.61 -0.07 5.51 0.00 -0.74 -4.86 120.51 125.16 1u8r n ALA 57 Ca -0.09 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 52.95 1u8r n ALA 57 Cb 0.50 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.01 0.86 1.18 0.00 0.00 -1.97 -2.79 103.07 99.35 1u8r h GLY 58 Ca -0.06 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.23 1u8r h GLY 58 CO 0.04 0.93 0.00 2.09 0.00 0.00 0.00 176.54 179.60 1u8r n ASP 59 N -4.08 0.00 0.00 0.19 5.68 -1.26 -4.88 116.55 112.19 1u8r n ASP 59 Ca -0.05 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.53 1u8r n ASP 59 Cb 0.61 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 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 -1.09 0.00 -2.78 0.11 1.74 -1.05 -5.05 116.66 108.54 1u8r n ARG 60 Ca 0.21 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.95 1u8r n ARG 60 Cb 0.15 -2.08 -0.06 0.00 -1.02 0.00 0.00 32.46 29.45 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 -2.60 3.31 -0.05 -1.55 -3.43 -1.26 -4.60 115.29 105.10 1u8r s HIS 61 Ca 0.00 1.62 -0.27 0.00 -0.80 0.00 0.00 55.06 55.62 1u8r s HIS 61 Cb 0.00 -2.89 -0.03 0.00 -1.43 0.00 0.00 32.58 28.23 1u8r s HIS 61 CO 0.00 -0.17 0.84 -0.51 -2.00 0.00 0.00 174.74 172.90 1u8r s LEU 62 N -3.10 4.32 -0.21 5.38 1.43 0.20 -1.79 118.68 124.92 1u8r s LEU 62 Ca 0.61 1.39 -0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1u8r s LEU 62 Cb -0.11 -3.31 0.02 0.00 0.03 0.00 0.00 46.19 42.82 1u8r s LEU 62 CO 0.15 -0.21 -0.14 -0.70 0.23 0.00 0.00 176.35 175.68 1u8r s GLU 63 N 1.05 2.93 0.04 1.70 2.56 -0.37 -4.77 118.70 121.84 1u8r s GLU 63 Ca 0.44 -0.89 -0.30 0.00 0.00 0.00 0.00 54.97 54.21 1u8r s GLU 63 Cb -0.19 -2.76 -0.05 0.00 2.00 0.00 0.00 34.13 33.13 1u8r s GLU 63 CO 0.22 -0.29 1.24 -0.51 -0.56 0.00 0.00 175.26 175.36 1u8r s LEU 64 N 1.30 4.35 1.03 2.70 1.43 -1.26 -0.37 118.68 127.86 1u8r s LEU 64 Ca 0.03 2.02 -0.16 0.00 -1.03 0.00 0.00 54.13 54.99 1u8r s LEU 64 Cb -0.15 -3.57 0.21 0.00 0.03 0.00 0.00 46.19 42.71 1u8r s LEU 64 CO -0.09 -0.54 1.17 0.42 0.23 0.00 0.00 176.35 177.54 1u8r s THR 65 N 1.42 1.86 0.20 5.49 -4.23 -0.90 -4.63 115.64 114.84 1u8r s THR 65 Ca 0.59 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.93 1u8r s THR 65 Cb -0.30 -2.69 0.17 0.00 1.34 0.00 0.00 72.50 71.02 1u8r s THR 65 CO 0.28 0.00 1.61 -0.08 -0.54 0.00 0.00 174.62 175.89 1u8r h GLU 66 N -1.95 -0.09 0.16 3.99 4.57 -1.89 0.10 114.58 119.46 1u8r h GLU 66 Ca -0.47 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 1u8r h GLU 66 Cb 1.30 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1u8r h GLU 66 CO 0.46 -0.06 -0.08 -0.22 -1.18 0.00 0.00 179.01 177.93 1u8r h LYS 67 N -0.10 -0.20 -0.88 1.92 3.64 -1.90 -2.72 116.57 116.33 1u8r h LYS 67 Ca 0.26 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.76 1u8r h LYS 67 Cb 0.50 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 1u8r h LYS 67 CO -0.64 0.07 0.57 0.78 -2.27 0.00 0.00 179.45 177.96 1u8r h GLY 68 N -0.47 1.24 1.22 5.01 0.00 -1.53 -2.01 103.07 106.53 1u8r h GLY 68 Ca -0.02 -0.34 -0.22 0.00 0.00 0.00 0.00 47.33 46.75 1u8r h GLY 68 CO 0.04 0.16 -0.77 -0.09 0.00 0.00 0.00 176.54 175.88 1u8r h ARG 69 N 0.81 0.76 -0.66 4.80 2.43 -0.99 -1.67 114.38 119.85 1u8r h ARG 69 Ca 0.42 -0.62 0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1u8r h ARG 69 Cb 0.51 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 1u8r h ARG 69 CO -0.18 1.23 0.37 0.00 -1.51 0.00 0.00 179.97 179.88 1u8r h ALA 70 N 0.60 0.88 -0.04 2.80 0.00 -1.05 -0.62 119.26 121.83 1u8r h ALA 70 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1u8r h ALA 70 Cb 1.39 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1u8r h ALA 70 CO 0.16 0.06 -0.02 1.25 0.00 0.00 0.00 179.25 180.70 1u8r h LEU 71 N 0.70 0.08 -0.60 0.00 6.46 -1.44 -2.37 115.31 118.14 1u8r h LEU 71 Ca 0.29 -0.41 0.12 0.00 -0.12 0.00 0.00 57.88 57.76 1u8r h LEU 71 Cb 0.15 -0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 39.95 1u8r h LEU 71 CO -0.17 0.47 -0.11 0.00 -0.62 0.00 0.00 178.44 178.01 1u8r h ALA 72 N 0.61 0.45 -0.31 1.25 0.00 -0.85 0.40 119.26 120.81 1u8r h ALA 72 Ca 0.01 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1u8r h ALA 72 Cb 0.44 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1u8r h ALA 72 CO 0.01 -0.42 0.18 0.82 0.00 0.00 0.00 179.25 179.84 1u8r h ILE 73 N 0.02 1.05 -0.97 0.00 2.04 -1.12 -1.44 117.51 117.10 1u8r h ILE 73 Ca 0.30 -0.13 0.16 0.00 1.00 0.00 0.00 64.86 66.19 1u8r h ILE 73 Cb 0.46 0.63 -0.10 0.00 -0.74 0.00 0.00 36.82 37.08 1u8r h ILE 73 CO -0.60 0.07 0.58 0.00 0.00 0.00 0.00 178.15 178.20 1u8r h ALA 74 N 1.13 1.54 -0.05 1.87 0.00 -0.43 0.19 119.26 123.51 1u8r h ALA 74 Ca 0.12 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1u8r h ALA 74 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1u8r h ALA 74 CO -0.05 0.01 -0.10 0.28 0.00 0.00 0.00 179.25 179.39 1u8r h VAL 75 N 0.79 1.43 -0.92 0.00 2.07 -0.57 -2.68 116.25 116.37 1u8r h VAL 75 Ca 0.53 -1.43 0.14 0.00 0.82 0.00 0.00 66.70 66.76 1u8r h VAL 75 Cb 0.73 2.26 -0.07 0.00 -1.52 0.00 0.00 31.29 32.69 1u8r h VAL 75 CO -0.35 0.39 0.59 -0.03 0.02 0.00 0.00 177.57 178.19 1u8r h MET 76 N -0.36 0.76 0.05 1.57 -1.53 -0.30 0.01 114.93 115.13 1u8r h MET 76 Ca 0.00 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1u8r h MET 76 Cb 0.69 -0.17 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 1u8r h MET 76 CO 0.02 0.50 -0.02 -0.09 0.14 0.00 0.00 176.91 177.46 1u8r h ARG 77 N 0.78 -0.07 -0.23 0.39 2.43 -0.58 -1.46 114.38 115.65 1u8r h ARG 77 Ca 0.46 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1u8r h ARG 77 Cb 0.65 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1u8r h ARG 77 CO -0.22 0.06 0.13 0.87 -1.51 0.00 0.00 179.97 179.30 1u8r h LYS 78 N -0.18 0.32 -0.52 0.20 1.57 -1.01 -0.90 116.57 116.04 1u8r h LYS 78 Ca -0.01 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.84 1u8r h LYS 78 Cb 0.15 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.31 1u8r h LYS 78 CO 0.01 0.27 -0.07 1.25 -0.57 0.00 0.00 179.45 180.35 1u8r h HIS 79 N 0.27 -0.16 -0.09 -1.35 2.76 -0.86 0.13 115.15 115.85 1u8r h HIS 79 Ca 0.08 0.04 -0.20 0.00 -2.20 0.00 0.00 60.37 58.10 1u8r h HIS 79 Cb 0.04 0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 1u8r h HIS 79 CO -0.04 -0.18 -0.75 0.00 -1.30 0.00 0.00 177.93 175.66 1u8r h ARG 80 N 0.05 0.51 -0.25 5.26 3.08 -1.00 -1.54 114.38 120.49 1u8r h ARG 80 Ca 0.26 -0.42 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1u8r h ARG 80 Cb 0.40 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1u8r h ARG 80 CO -0.49 1.05 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.24 1u8r h LEU 81 N 0.34 0.40 -0.03 3.04 3.38 -0.76 -1.91 115.31 119.78 1u8r h LEU 81 Ca -0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1u8r h LEU 81 Cb 1.35 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1u8r h LEU 81 CO 0.14 0.58 -0.01 0.00 0.09 0.00 0.00 178.44 179.24 1u8r h ALA 82 N 1.46 0.05 -1.01 1.53 0.00 -0.83 -1.48 119.26 118.98 1u8r h ALA 82 Ca 0.07 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.93 1u8r h ALA 82 Cb 0.50 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1u8r h ALA 82 CO 0.03 -0.26 0.63 0.93 0.00 0.00 0.00 179.25 180.58 1u8r h GLU 83 N -0.29 0.90 0.74 0.00 5.08 -1.06 0.16 114.58 120.10 1u8r h GLU 83 Ca 0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1u8r h GLU 83 Cb 0.39 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1u8r h GLU 83 CO 0.00 0.59 -0.48 0.00 -1.00 0.00 0.00 179.01 178.13 1u8r h ARG 84 N 0.92 -1.10 -0.95 2.33 2.47 -1.07 -1.82 114.38 115.17 1u8r h ARG 84 Ca 0.53 0.08 0.17 0.00 -1.26 0.00 0.00 59.98 59.50 1u8r h ARG 84 Cb 0.63 0.25 -0.08 0.00 -1.65 0.00 0.00 29.97 29.12 1u8r h ARG 84 CO -0.31 -0.73 0.60 1.25 0.56 0.00 0.00 179.97 181.34 1u8r h LEU 85 N -1.14 0.65 -0.59 3.04 5.85 -0.19 -0.44 115.31 122.49 1u8r h LEU 85 Ca -0.10 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 1u8r h LEU 85 Cb 0.92 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1u8r h LEU 85 CO 0.08 0.28 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.98 1u8r h LEU 86 N 0.66 0.69 0.03 2.25 3.38 -0.45 -1.14 115.31 120.73 1u8r h LEU 86 Ca 0.50 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1u8r h LEU 86 Cb 0.89 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1u8r h LEU 86 CO -0.26 1.02 -0.57 0.58 0.09 0.00 0.00 178.44 179.30 1u8r h VAL 87 N 0.53 1.46 0.26 1.22 2.07 -0.58 0.30 116.25 121.51 1u8r h VAL 87 Ca 0.04 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 1u8r h VAL 87 Cb 0.94 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1u8r h VAL 87 CO 0.09 0.56 -0.12 0.44 0.02 0.00 0.00 177.57 178.55 1u8r h ASP 88 N -0.84 -0.29 0.00 0.57 3.32 -1.22 -3.30 116.42 114.65 1u8r h ASP 88 Ca -0.14 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1u8r h ASP 88 Cb 1.25 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1u8r h ASP 88 CO -0.02 0.19 -0.46 0.52 -1.72 0.00 0.00 179.24 177.74 1u8r n VAL 89 N -5.03 1.22 -0.23 -1.35 0.31 -0.95 -4.46 118.33 107.84 1u8r n VAL 89 Ca -0.08 0.25 0.07 0.00 -0.01 0.00 0.00 64.34 64.57 1u8r n VAL 89 Cb 0.26 -2.26 0.33 0.00 -0.91 0.00 0.00 33.84 31.25 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 -0.86 1.00 0.00 2.52 1.08 -1.34 -3.46 117.51 116.45 1u8r h ILE 90 Ca 0.00 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1u8r h ILE 90 Cb 0.46 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 1u8r h ILE 90 CO 0.00 0.15 0.00 0.61 -0.69 0.00 0.00 178.15 178.22 1u8r n GLY 91 N -1.43 0.51 3.73 5.37 0.00 -0.39 -5.01 105.19 107.97 1u8r n GLY 91 Ca 0.13 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 4.46 0.42 0.99 2.96 0.93 -4.98 118.68 123.46 1u8r s LEU 92 Ca 0.00 1.72 -0.22 0.00 -0.22 0.00 0.00 54.13 55.41 1u8r s LEU 92 Cb 0.00 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 43.02 1u8r s LEU 92 CO 0.00 -0.10 0.43 -0.81 -1.32 0.00 0.00 176.35 174.56 1u8r n PRO 93 N 3.03 0.42 0.06 0.98 -0.04 -1.26 -4.35 135.00 133.84 1u8r n PRO 93 Ca 0.02 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.49 1u8r n PRO 93 Cb 0.50 -1.38 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.66 -1.37 0.00 0.54 7.01 -1.96 -2.51 115.95 118.33 1u8r h TRP 94 Ca -0.39 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.65 1u8r h TRP 94 Cb 1.41 0.60 0.00 0.00 -2.10 0.00 0.00 29.16 29.07 1u8r h TRP 94 CO 0.34 -0.54 0.00 -0.85 -2.79 0.00 0.00 178.44 174.60 1u8r n GLU 95 N -5.46 0.57 0.00 2.65 0.00 -1.26 -2.78 120.64 114.35 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 0.39 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.58 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 0.47 2.87 -0.19 3.44 1.02 -0.96 -4.84 120.64 122.44 1u8r n GLU 96 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1u8r n GLU 96 Cb 0.21 -0.64 0.19 0.00 -0.02 0.00 0.00 31.44 31.18 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 1.22 -0.10 2.62 -1.51 -1.35 -2.96 116.25 114.17 1u8r h VAL 97 Ca 0.00 -0.63 0.03 0.00 -1.23 0.00 0.00 66.70 64.87 1u8r h VAL 97 Cb 0.13 0.37 -0.03 0.00 -2.13 0.00 0.00 31.29 29.64 1u8r h VAL 97 CO 0.00 0.26 -0.06 -0.74 -1.23 0.00 0.00 177.57 175.81 1u8r h HIS 98 N 0.95 -0.13 -0.70 5.19 -0.00 -1.89 0.26 115.15 118.83 1u8r h HIS 98 Ca 0.23 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.64 1u8r h HIS 98 Cb 0.11 0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.56 1u8r h HIS 98 CO 0.01 -0.09 0.46 0.00 -0.00 0.00 0.00 177.93 178.31 1u8r h ALA 99 N 1.04 1.56 -0.07 5.26 0.00 -1.87 -0.74 119.26 124.45 1u8r h ALA 99 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1u8r h ALA 99 Cb 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1u8r h ALA 99 CO -0.14 0.38 -0.08 1.49 0.00 0.00 0.00 179.25 180.91 1u8r h GLU 100 N 0.88 0.17 0.00 0.00 4.57 -1.29 -3.11 114.58 115.80 1u8r h GLU 100 Ca 0.27 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1u8r h GLU 100 Cb -0.00 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1u8r h GLU 100 CO -0.07 0.62 -0.14 0.00 -1.18 0.00 0.00 179.01 178.24 1u8r h ALA 101 N 0.54 1.23 0.00 2.92 0.00 -0.65 -1.25 119.26 122.05 1u8r h ALA 101 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u8r h ALA 101 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1u8r h ALA 101 CO 0.02 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1u8r n ARG 103 N -2.49 0.58 0.04 0.00 1.74 -0.54 -4.48 116.66 111.52 1u8r n ARG 103 Ca -0.01 0.17 0.02 0.00 -0.77 0.00 0.00 57.85 57.26 1u8r n ARG 103 Cb 0.12 -1.46 0.38 0.00 -1.02 0.00 0.00 32.46 30.48 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 -0.28 0.43 0.00 -1.55 4.06 -0.92 -2.63 115.95 115.07 1u8r h TRP 104 Ca -0.57 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.36 1u8r h TRP 104 Cb 1.75 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 29.77 1u8r h TRP 104 CO -0.01 0.40 0.22 1.05 -3.56 0.00 0.00 178.44 176.54 1u8r h GLU 105 N 0.43 0.00 -0.37 0.49 4.11 -1.06 -0.59 114.58 117.58 1u8r h GLU 105 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1u8r h GLU 105 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1u8r h GLU 105 CO -0.00 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.80 1u8r n HIS 106 N -2.50 0.48 0.00 2.06 8.25 -0.99 -4.48 115.22 118.04 1u8r n HIS 106 Ca -0.02 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1u8r n HIS 106 Cb 0.26 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 1.43 0.00 -2.02 1.59 0.24 -0.27 -5.01 118.33 114.29 1u8r n VAL 107 Ca 0.19 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.94 1u8r n VAL 107 Cb 0.59 0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 33.67 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 -0.46 4.19 0.80 7.34 -1.94 -0.93 -4.99 119.30 123.30 1u8r s MET 108 Ca 0.00 2.18 -0.11 0.00 -1.71 0.00 0.00 55.69 56.05 1u8r s MET 108 Cb 0.00 -3.93 0.07 0.00 2.01 0.00 0.00 34.83 32.98 1u8r s MET 108 CO 0.00 -0.82 1.09 -1.54 -0.01 0.00 0.00 175.02 173.74 1u8r s SER 109 N 3.16 4.30 0.43 3.03 1.04 -1.26 -4.91 113.70 119.49 1u8r s SER 109 Ca 0.73 1.79 0.20 0.00 0.48 0.00 0.00 55.95 59.14 1u8r s SER 109 Cb -0.33 -2.47 0.96 0.00 0.10 0.00 0.00 66.02 64.27 1u8r s SER 109 CO 0.29 -2.16 1.88 -0.08 0.98 0.00 0.00 173.24 174.16 1u8r h GLU 110 N -1.21 0.00 0.27 4.02 4.81 -2.00 -2.70 114.58 117.76 1u8r h GLU 110 Ca -0.44 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1u8r h GLU 110 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1u8r h GLU 110 CO 0.51 0.28 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.50 1u8r h ASP 111 N 0.00 -0.31 -0.49 1.04 3.45 -2.01 -2.48 116.42 115.63 1u8r h ASP 111 Ca -0.00 -0.20 0.14 0.00 0.43 0.00 0.00 57.03 57.39 1u8r h ASP 111 Cb 0.62 0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.45 1u8r h ASP 111 CO 0.04 0.07 0.37 0.58 -1.57 0.00 0.00 179.24 178.73 1u8r h VAL 112 N -0.74 0.67 0.83 -1.35 2.07 -1.91 -1.60 116.25 114.22 1u8r h VAL 112 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1u8r h VAL 112 Cb 0.49 0.73 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1u8r h VAL 112 CO 0.06 0.00 -0.40 -0.33 0.02 0.00 0.00 177.57 176.92 1u8r h GLU 113 N 0.00 -1.07 -0.70 1.57 5.08 -1.15 -1.08 114.58 117.23 1u8r h GLU 113 Ca 0.23 0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.82 1u8r h GLU 113 Cb 0.98 0.24 -0.12 0.00 0.50 0.00 0.00 28.75 30.35 1u8r h GLU 113 CO -0.00 -0.72 0.01 0.00 -1.00 0.00 0.00 179.01 177.30 1u8r h ARG 114 N -1.20 0.11 0.00 2.33 3.08 -0.88 0.12 114.38 117.94 1u8r h ARG 114 Ca -0.11 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1u8r h ARG 114 Cb 0.85 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1u8r h ARG 114 CO 0.19 0.07 -0.31 0.00 -1.07 0.00 0.00 179.97 178.85 1u8r h ARG 115 N 0.11 0.00 -0.02 0.04 3.08 -1.37 -1.77 114.38 114.46 1u8r h ARG 115 Ca 0.37 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.31 1u8r h ARG 115 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1u8r h ARG 115 CO -0.61 0.31 -0.51 -0.07 -1.07 0.00 0.00 179.97 178.02 1u8r h LEU 116 N 0.00 0.06 -0.22 3.04 3.38 0.54 -1.78 115.31 120.32 1u8r h LEU 116 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1u8r h LEU 116 Cb 0.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1u8r h LEU 116 CO 0.04 0.56 0.14 0.58 0.09 0.00 0.00 178.44 179.85 1u8r h VAL 117 N 0.04 1.09 -0.15 1.22 2.07 -0.31 -1.81 116.25 118.40 1u8r h VAL 117 Ca -0.00 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 1u8r h VAL 117 Cb 0.92 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1u8r h VAL 117 CO 0.07 0.08 -0.41 0.11 0.02 0.00 0.00 177.57 177.44 1u8r h LYS 118 N 0.28 0.34 0.00 1.57 1.79 -1.32 0.20 116.57 119.43 1u8r h LYS 118 Ca 0.08 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1u8r h LYS 118 Cb 0.02 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1u8r h LYS 118 CO -0.02 0.70 -0.10 0.28 -1.08 0.00 0.00 179.45 179.23 1u8r h VAL 119 N 0.28 0.21 -0.31 0.50 2.07 -1.07 -3.09 116.25 114.85 1u8r h VAL 119 Ca 0.03 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1u8r h VAL 119 Cb 0.84 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1u8r h VAL 119 CO 0.07 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.93 1u8r n LEU 120 N -3.18 2.87 -2.66 2.57 4.77 -0.70 -5.00 117.00 115.67 1u8r n LEU 120 Ca 0.02 -1.67 -0.10 0.00 -0.03 0.00 0.00 56.01 54.23 1u8r n LEU 120 Cb 0.43 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1u8r n LEU 120 CO 0.32 0.67 0.02 0.59 -1.33 0.00 0.00 177.39 177.66 1u8r n ASN 121 N 0.82 -4.89 -4.02 -1.43 5.03 -0.98 -3.96 115.26 105.82 1u8r n ASN 121 Ca 0.13 -0.47 -0.29 0.00 0.87 0.00 0.00 54.58 54.82 1u8r n ASN 121 Cb 0.44 -3.63 -0.03 0.00 -1.02 0.00 0.00 39.78 35.55 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 -2.63 -0.91 -4.44 6.41 3.02 0.68 -4.90 115.26 112.49 1u8r n ASN 122 Ca -0.06 -1.10 -0.31 0.00 -0.03 0.00 0.00 54.58 53.08 1u8r n ASN 122 Cb 0.58 -2.60 0.20 0.00 -0.61 0.00 0.00 39.78 37.35 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 -4.48 -1.57 0.00 3.52 -0.04 -1.25 -4.96 135.00 126.21 1u8r n PRO 123 Ca -0.27 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1u8r n PRO 123 Cb 0.67 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 -4.50 0.00 -4.10 0.52 -2.24 -1.26 -4.96 114.28 97.75 1u8r n THR 124 Ca 0.04 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1u8r n THR 124 Cb 0.56 1.89 -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 -1.66 115.64 113.24 1u8r s THR 125 Ca 0.00 -1.64 0.08 0.00 -1.18 0.00 0.00 61.69 58.95 1u8r s THR 125 Cb 0.00 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.37 1u8r s THR 125 CO 0.00 0.00 0.54 -0.94 -0.54 0.00 0.00 174.62 173.68 1u8r s SER 126 N -3.17 5.24 0.00 3.99 1.04 -0.10 -4.79 113.70 115.90 1u8r s SER 126 Ca 0.30 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 56.08 1u8r s SER 126 Cb 0.01 -0.30 0.32 0.00 0.10 0.00 0.00 66.02 66.15 1u8r s SER 126 CO 0.16 -0.90 0.74 -2.65 0.98 0.00 0.00 173.24 171.57 1u8r n PRO 127 N -1.84 0.20 -0.00 4.02 -0.02 -1.26 -0.79 135.00 135.31 1u8r n PRO 127 Ca 0.07 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.57 1u8r n PRO 127 Cb 0.61 -1.42 0.02 0.00 -0.02 0.00 0.00 33.50 32.69 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 -0.92 0.01 -0.10 6.00 3.01 -1.26 -4.87 117.46 119.33 1u8r n PHE 128 Ca 0.04 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1u8r n PHE 128 Cb 0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 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 0.89 3.74 1.37 0.00 0.03 -1.58 105.19 109.79 1u8r n GLY 129 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.76 7.49 0.35 1.61 -0.87 -1.26 -4.67 114.94 114.82 1u8r s ASN 130 Ca 0.00 1.93 -0.28 0.00 -1.57 0.00 0.00 52.86 52.94 1u8r s ASN 130 Cb 0.00 -2.60 -0.10 0.00 -0.02 0.00 0.00 41.25 38.53 1u8r s ASN 130 CO 0.00 -0.03 1.28 -2.16 -2.57 0.00 0.00 177.10 173.63 1u8r s PRO 131 N -0.55 4.29 -0.40 -0.60 0.04 -1.26 -0.92 135.00 135.60 1u8r s PRO 131 Ca 0.45 2.15 -0.28 0.00 0.04 0.00 0.00 61.00 63.37 1u8r s PRO 131 Cb -0.26 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.30 1u8r s PRO 131 CO 0.32 -0.22 1.05 0.42 0.04 0.00 0.00 177.00 178.61 1u8r s ILE 132 N -1.18 4.41 0.90 0.56 1.01 -0.66 -4.90 121.20 121.35 1u8r s ILE 132 Ca 0.50 1.35 -0.13 0.00 0.00 0.00 0.00 60.65 62.38 1u8r s ILE 132 Cb -0.38 -4.47 0.14 0.00 0.01 0.00 0.00 42.46 37.76 1u8r s ILE 132 CO 0.51 -0.71 1.17 -2.16 0.00 0.00 0.00 174.94 173.74 1u8r s PRO 133 N 3.91 1.18 -1.11 2.79 0.04 -1.26 -4.28 135.00 136.27 1u8r s PRO 133 Ca 0.44 0.14 -0.10 0.00 0.04 0.00 0.00 61.00 61.52 1u8r s PRO 133 Cb -0.10 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.67 1u8r s PRO 133 CO 0.23 -2.14 0.38 0.41 0.04 0.00 0.00 177.00 175.91 1u8r n GLY 134 N -2.63 -0.47 0.20 0.56 0.00 -1.26 -4.61 105.19 96.99 1u8r n GLY 134 Ca 0.08 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.67 0.00 0.18 0.99 3.38 -1.96 -3.13 115.31 114.11 1u8r h LEU 135 Ca -0.36 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.26 1u8r h LEU 135 Cb 1.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.00 1u8r h LEU 135 CO 0.48 0.30 -1.74 -2.24 0.09 0.00 0.00 178.44 175.33 1u8r h ASP 136 N 0.00 0.60 0.24 -0.43 2.03 -1.89 -2.91 116.42 114.07 1u8r h ASP 136 Ca -0.00 -0.94 0.00 0.00 -0.73 0.00 0.00 57.03 55.36 1u8r h ASP 136 Cb 0.83 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 1u8r h ASP 136 CO 0.04 1.79 0.00 -1.84 -1.03 0.00 0.00 179.24 178.20 1u8r n GLU 137 N -3.61 0.14 -0.01 4.15 0.00 -1.23 -0.75 120.64 119.33 1u8r n GLU 137 Ca -0.25 0.19 -0.21 0.00 0.00 0.00 0.00 57.16 56.89 1u8r n GLU 137 Cb 1.06 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.87 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 0.31 0.00 -1.84 6.46 -1.58 -3.49 115.31 115.17 1u8r h LEU 138 Ca 0.00 -0.82 0.00 0.00 -0.12 0.00 0.00 57.88 56.94 1u8r h LEU 138 Cb 0.12 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1u8r h LEU 138 CO 0.00 1.57 0.00 0.61 -0.62 0.00 0.00 178.44 180.00 1u8r n GLY 139 N 1.70 0.36 0.00 3.75 0.00 0.07 -5.02 105.19 106.06 1u8r n GLY 139 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.24 1.61 0.24 -1.11 -5.02 118.33 112.81 1u8r n VAL 140 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.46 1u8r n VAL 140 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 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 -2.29 0.00 7.63 0.00 -1.26 -4.31 105.19 104.96 1u8r n GLY 141 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1u8r n GLY 141 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1u8r n LEU 151 N -3.97 0.00 -4.47 0.99 7.94 -1.26 -4.94 117.00 111.29 1u8r n LEU 151 Ca -0.02 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.65 1u8r n LEU 151 Cb 0.58 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.43 1u8r n LEU 151 CO 0.02 0.00 -0.24 0.68 -1.11 0.00 0.00 177.39 176.74 1u8r s VAL 152 N 0.00 0.92 -0.14 1.96 -7.23 0.43 -4.97 120.40 111.38 1u8r s VAL 152 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 1u8r s VAL 152 Cb 0.00 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1u8r s VAL 152 CO 0.00 0.00 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.15 1u8r s ARG 153 N -3.84 3.57 0.60 4.82 3.52 -1.26 -0.25 118.95 126.11 1u8r s ARG 153 Ca 0.31 -0.52 0.32 0.00 -0.13 0.00 0.00 55.73 55.71 1u8r s ARG 153 Cb 0.06 -2.88 1.11 0.00 -1.56 0.00 0.00 34.95 31.68 1u8r s ARG 153 CO 0.15 0.30 1.37 -0.07 -0.81 0.00 0.00 175.30 176.23 1u8r h LEU 154 N 6.52 0.00 -0.25 -0.88 3.38 -1.49 1.43 115.31 124.02 1u8r h LEU 154 Ca -0.33 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.45 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 0.62 0.00 -0.89 0.71 0.09 0.00 0.00 178.44 178.97 1u8r h THR 155 N 0.00 1.57 -0.10 0.22 1.35 -1.86 -3.14 112.91 110.95 1u8r h THR 155 Ca 0.58 -2.84 -0.03 0.00 -0.55 0.00 0.00 66.41 63.58 1u8r h THR 155 Cb 3.08 2.57 -0.02 0.00 -1.73 0.00 0.00 68.15 72.06 1u8r h THR 155 CO -0.01 0.82 0.04 -0.62 -0.25 0.00 0.00 175.52 175.50 1u8r n GLU 156 N -3.57 1.35 -4.03 4.72 1.02 0.49 -4.81 120.64 115.82 1u8r n GLU 156 Ca -0.02 -0.39 -0.35 0.00 -0.02 0.00 0.00 57.16 56.38 1u8r n GLU 156 Cb 0.83 -1.41 -0.12 0.00 -0.02 0.00 0.00 31.44 30.72 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 -0.38 3.35 0.54 -4.62 2.96 -1.19 -4.84 118.68 114.50 1u8r s LEU 157 Ca 0.07 -0.16 -0.21 0.00 -0.22 0.00 0.00 54.13 53.60 1u8r s LEU 157 Cb 0.06 -1.86 -0.06 0.00 0.50 0.00 0.00 46.19 44.83 1u8r s LEU 157 CO 0.02 0.07 1.18 -0.81 -1.32 0.00 0.00 176.35 175.48 1u8r n PRO 158 N 4.24 1.41 -2.33 0.98 -0.04 -1.26 -4.88 135.00 133.11 1u8r n PRO 158 Ca -0.17 0.52 -0.26 0.00 -0.04 0.00 0.00 63.50 63.55 1u8r n PRO 158 Cb 0.52 -2.36 0.14 0.00 -0.04 0.00 0.00 33.50 31.76 1u8r n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u8r s ALA 159 N -1.35 3.13 0.00 0.55 0.00 -1.26 -4.67 121.76 118.16 1u8r s ALA 159 Ca 0.71 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1u8r s ALA 159 Cb -0.44 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1u8r s ALA 159 CO 0.50 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.82 1u8r n GLY 160 N -3.20 1.28 3.83 0.00 0.00 -1.26 -5.00 105.19 100.83 1u8r n GLY 160 Ca 0.15 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 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 6.73 1.03 1.61 0.15 -1.26 -4.85 113.70 113.11 1u8r s SER 161 Ca 0.00 0.87 -0.22 0.00 0.70 0.00 0.00 55.95 57.30 1u8r s SER 161 Cb 0.00 -2.22 -0.08 0.00 -1.71 0.00 0.00 66.02 62.01 1u8r s SER 161 CO 0.00 0.32 -0.83 -2.65 1.20 0.00 0.00 173.24 171.28 1u8r n PRO 162 N 1.98 -0.51 -3.77 5.44 -0.02 -1.26 -4.94 135.00 131.92 1u8r n PRO 162 Ca -0.15 -0.14 -0.13 0.00 -2.02 0.00 0.00 63.50 61.07 1u8r n PRO 162 Cb 0.53 -1.28 -0.12 0.00 -0.02 0.00 0.00 33.50 32.60 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 -2.10 -0.02 -0.03 -1.45 1.01 -0.65 -4.95 120.40 112.21 1u8r s VAL 163 Ca 0.44 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.23 1u8r s VAL 163 Cb -0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1u8r s VAL 163 CO 0.69 0.02 0.76 0.00 0.00 0.00 0.00 175.10 176.57 1u8r s ALA 164 N 0.54 3.31 0.22 5.51 0.00 -1.26 -1.10 121.76 128.98 1u8r s ALA 164 Ca -0.03 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.07 1u8r s ALA 164 Cb -0.05 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 1u8r s ALA 164 CO -0.03 -0.09 0.36 0.14 0.00 0.00 0.00 175.76 176.14 1u8r s VAL 165 N 0.65 0.01 -0.19 0.00 -7.23 -0.16 -2.84 120.40 110.64 1u8r s VAL 165 Ca 0.40 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1u8r s VAL 165 Cb -0.19 -2.18 0.04 0.00 0.56 0.00 0.00 36.38 34.61 1u8r s VAL 165 CO 0.21 -0.07 -0.13 0.54 -0.31 0.00 0.00 175.10 175.34 1u8r s VAL 166 N -4.04 1.75 -0.09 1.32 0.11 -0.53 -1.37 120.40 117.55 1u8r s VAL 166 Ca 0.25 -0.98 -0.37 0.00 -2.93 0.00 0.00 61.98 57.95 1u8r s VAL 166 Cb 0.02 -1.75 -0.15 0.00 -1.53 0.00 0.00 36.38 32.98 1u8r s VAL 166 CO 0.07 0.27 1.68 0.52 -3.33 0.00 0.00 175.10 174.31 1u8r n VAL 167 N 4.67 0.28 -0.04 2.04 0.31 -0.89 -2.45 118.33 122.24 1u8r n VAL 167 Ca -0.16 -0.05 -0.06 0.00 -0.01 0.00 0.00 64.34 64.06 1u8r n VAL 167 Cb 0.47 -1.36 -0.05 0.00 -0.91 0.00 0.00 33.84 32.00 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 4.86 1.14 -3.89 5.55 5.12 -0.40 -0.59 116.66 128.45 1u8r n ARG 168 Ca 0.22 0.03 -0.11 0.00 -1.93 0.00 0.00 57.85 56.07 1u8r n ARG 168 Cb 0.21 -1.19 -0.10 0.00 -1.16 0.00 0.00 32.46 30.21 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 -2.19 0.40 -0.41 5.56 -0.21 -0.72 -4.36 119.66 117.74 1u8r s GLN 169 Ca -0.10 -0.39 0.01 0.00 0.02 0.00 0.00 55.36 54.90 1u8r s GLN 169 Cb 0.03 0.16 0.13 0.00 1.00 0.00 0.00 33.01 34.34 1u8r s GLN 169 CO 0.26 -0.09 0.22 -0.51 -2.12 0.00 0.00 175.29 173.04 1u8r s LEU 170 N -1.25 2.25 0.81 2.90 1.43 -0.62 -1.99 118.68 122.22 1u8r s LEU 170 Ca -0.13 -2.42 -0.13 0.00 -1.03 0.00 0.00 54.13 50.42 1u8r s LEU 170 Cb -0.07 -0.87 0.09 0.00 0.03 0.00 0.00 46.19 45.36 1u8r s LEU 170 CO 0.01 -0.29 1.20 0.42 0.23 0.00 0.00 176.35 177.92 1u8r s THR 171 N 0.66 2.06 0.27 5.49 -4.23 -0.71 -4.68 115.64 114.49 1u8r s THR 171 Ca 0.17 0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.68 1u8r s THR 171 Cb -0.23 -2.41 0.40 0.00 1.34 0.00 0.00 72.50 71.59 1u8r s THR 171 CO -0.02 -0.02 1.42 -0.62 -0.54 0.00 0.00 174.62 174.84 1u8r n GLU 172 N -3.35 -0.08 -0.30 3.99 -0.58 -1.26 -0.56 120.64 118.51 1u8r n GLU 172 Ca 0.13 1.39 0.13 0.00 -0.42 0.00 0.00 57.16 58.39 1u8r n GLU 172 Cb 0.51 -2.15 0.30 0.00 -0.57 0.00 0.00 31.44 29.53 1u8r n GLU 172 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1u8r h HIS 173 N 0.00 0.55 -0.06 -0.32 2.76 -1.92 0.67 115.15 116.83 1u8r h HIS 173 Ca 0.50 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 58.55 1u8r h HIS 173 Cb 0.94 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 1u8r h HIS 173 CO -0.57 -0.11 -0.68 -0.24 -1.30 0.00 0.00 177.93 175.04 1u8r h VAL 174 N 0.33 1.40 -0.02 5.26 3.04 -1.12 -2.43 116.25 122.71 1u8r h VAL 174 Ca 0.56 -2.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.13 1u8r h VAL 174 Cb 1.09 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 32.46 1u8r h VAL 174 CO -0.57 0.63 0.02 1.56 -1.01 0.00 0.00 177.57 178.20 1u8r h GLN 175 N 0.20 0.00 0.93 4.17 4.20 0.41 -2.90 115.11 122.12 1u8r h GLN 175 Ca -0.02 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1u8r h GLN 175 Cb 1.22 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.01 1u8r h GLN 175 CO 0.11 0.00 -0.45 0.78 -0.67 0.00 0.00 178.83 178.60 1u8r h GLY 176 N 0.00 -1.31 -7.43 3.46 0.00 -0.42 -3.37 103.07 94.00 1u8r h GLY 176 Ca 0.01 0.49 -0.37 0.00 0.00 0.00 0.00 47.33 47.46 1u8r h GLY 176 CO -0.00 -0.48 1.06 -0.35 0.00 0.00 0.00 176.54 176.77 1u8r s ASP 177 N -3.83 4.85 0.27 0.19 3.68 -1.10 -4.81 116.67 115.93 1u8r s ASP 177 Ca -0.18 0.20 -0.03 0.00 2.13 0.00 0.00 52.55 54.66 1u8r s ASP 177 Cb 0.02 -2.53 0.36 0.00 -1.45 0.00 0.00 42.92 39.31 1u8r s ASP 177 CO 0.55 -2.81 1.89 -0.29 0.13 0.00 0.00 175.17 174.64 1u8r h ILE 178 N 7.28 1.23 -0.97 4.11 2.10 -1.82 -0.88 117.51 128.55 1u8r h ILE 178 Ca -0.13 -0.60 0.05 0.00 1.08 0.00 0.00 64.86 65.27 1u8r h ILE 178 Cb 1.12 0.22 -0.06 0.00 -1.09 0.00 0.00 36.82 37.01 1u8r h ILE 178 CO 1.17 0.26 0.63 0.44 -1.08 0.00 0.00 178.15 179.57 1u8r h ASP 179 N 1.07 1.03 0.01 2.19 3.32 -1.95 -1.56 116.42 120.53 1u8r h ASP 179 Ca 0.27 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 1u8r h ASP 179 Cb 0.05 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.39 1u8r h ASP 179 CO -0.04 0.68 -0.44 0.25 -1.72 0.00 0.00 179.24 177.97 1u8r h LEU 180 N 1.18 0.37 -2.69 1.55 5.85 -1.81 -2.70 115.31 117.05 1u8r h LEU 180 Ca 0.40 -0.80 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1u8r h LEU 180 Cb 0.08 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1u8r h LEU 180 CO -0.15 1.12 -0.01 -0.29 -0.34 0.00 0.00 178.44 178.78 1u8r h ILE 181 N -0.34 0.26 0.00 4.05 6.09 -1.04 0.17 117.51 126.69 1u8r h ILE 181 Ca -0.06 -0.03 -0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1u8r h ILE 181 Cb 1.20 1.03 0.00 0.00 0.47 0.00 0.00 36.82 39.51 1u8r h ILE 181 CO 0.09 0.01 -0.00 0.74 -3.07 0.00 0.00 178.15 175.91 1u8r h THR 182 N 0.00 1.73 -0.89 2.19 2.02 -1.27 -2.94 112.91 113.75 1u8r h THR 182 Ca -0.00 -2.14 0.08 0.00 0.77 0.00 0.00 66.41 65.12 1u8r h THR 182 Cb 0.02 3.18 -0.07 0.00 -1.74 0.00 0.00 68.15 69.55 1u8r h THR 182 CO 0.00 0.55 0.55 0.03 0.37 0.00 0.00 175.52 177.03 1u8r h ARG 183 N -0.91 0.94 -0.79 6.66 3.08 -0.98 -0.63 114.38 121.74 1u8r h ARG 183 Ca -0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1u8r h ARG 183 Cb 0.91 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 1u8r h ARG 183 CO 0.00 0.62 0.48 -0.07 -1.07 0.00 0.00 179.97 179.93 1u8r h LEU 184 N 0.97 0.94 0.09 3.04 3.38 -1.08 0.17 115.31 122.82 1u8r h LEU 184 Ca 0.41 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 1u8r h LEU 184 Cb 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1u8r h LEU 184 CO -0.20 0.72 -0.05 0.50 0.09 0.00 0.00 178.44 179.50 1u8r h LYS 185 N 1.09 -0.12 -0.96 1.13 3.64 -0.98 0.40 116.57 120.77 1u8r h LYS 185 Ca 0.28 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.80 1u8r h LYS 185 Cb -0.05 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.72 1u8r h LYS 185 CO -0.05 0.17 0.61 -0.44 -2.27 0.00 0.00 179.45 177.46 1u8r h ASP 186 N -0.42 0.83 -0.15 4.20 3.45 -0.67 0.30 116.42 123.97 1u8r h ASP 186 Ca -0.01 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1u8r h ASP 186 Cb 0.35 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1u8r h ASP 186 CO 0.02 0.44 0.00 0.00 -1.57 0.00 0.00 179.24 178.13 1u8r n ALA 187 N -2.38 2.52 -0.52 3.45 0.00 0.56 -4.90 120.51 119.24 1u8r n ALA 187 Ca 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1u8r n ALA 187 Cb 0.39 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.94 1.05 3.57 0.00 0.00 0.10 -4.82 105.19 106.04 1u8r n GLY 188 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.62 3.20 0.31 1.61 1.01 0.03 -4.83 120.40 119.11 1u8r s VAL 189 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1u8r s VAL 189 Cb 0.00 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1u8r s VAL 189 CO 0.00 -0.38 0.25 0.68 0.00 0.00 0.00 175.10 175.66 1u8r s VAL 190 N 14.15 0.02 0.28 2.92 -7.23 -1.26 -4.60 120.40 124.68 1u8r s VAL 190 Ca 0.80 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.68 1u8r s VAL 190 Cb -0.07 -2.50 -0.14 0.00 0.56 0.00 0.00 36.38 34.24 1u8r s VAL 190 CO 0.11 0.00 1.10 -2.65 -0.31 0.00 0.00 175.10 173.36 1u8r n PRO 191 N -0.58 1.50 -3.30 4.82 -0.02 -1.26 -2.95 135.00 133.22 1u8r n PRO 191 Ca 0.06 0.53 -0.16 0.00 -2.02 0.00 0.00 63.50 61.91 1u8r n PRO 191 Cb 0.63 -1.97 0.06 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.33 -6.56 -3.67 2.55 3.02 0.24 -4.98 115.26 107.20 1u8r n ASN 192 Ca 0.10 -0.71 -0.18 0.00 -0.03 0.00 0.00 54.58 53.75 1u8r n ASN 192 Cb 0.32 -4.98 -0.17 0.00 -0.61 0.00 0.00 39.78 34.34 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 -3.37 0.04 0.10 5.41 0.00 -1.15 -4.97 121.76 117.82 1u8r s ALA 193 Ca 0.43 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 1u8r s ALA 193 Cb -0.07 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.27 1u8r s ALA 193 CO 0.76 -0.53 1.09 1.03 0.00 0.00 0.00 175.76 178.11 1u8r s ARG 194 N 2.23 4.55 0.14 0.00 0.52 -1.26 -2.10 118.95 123.03 1u8r s ARG 194 Ca 0.04 1.65 -0.24 0.00 -0.52 0.00 0.00 55.73 56.66 1u8r s ARG 194 Cb -0.12 -3.34 0.07 0.00 0.52 0.00 0.00 34.95 32.08 1u8r s ARG 194 CO -0.04 -0.03 0.67 0.54 0.02 0.00 0.00 175.30 176.45 1u8r s VAL 195 N 0.42 0.00 0.06 3.52 0.11 -0.47 -4.78 120.40 119.26 1u8r s VAL 195 Ca 0.52 -0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.55 1u8r s VAL 195 Cb -0.27 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1u8r s VAL 195 CO 0.31 0.00 -0.09 0.42 -3.33 0.00 0.00 175.10 172.41 1u8r s THR 196 N -3.64 3.44 0.00 5.04 -4.23 -1.08 -0.99 115.64 114.19 1u8r s THR 196 Ca 0.03 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.52 1u8r s THR 196 Cb -0.01 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1u8r s THR 196 CO -0.11 0.25 -0.11 0.68 -0.54 0.00 0.00 174.62 174.79 1u8r s VAL 197 N -1.10 0.86 -0.02 2.29 -7.23 -0.26 0.46 120.40 115.40 1u8r s VAL 197 Ca 0.19 -0.60 0.02 0.00 -1.81 0.00 0.00 61.98 59.78 1u8r s VAL 197 Cb -0.11 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.09 1u8r s VAL 197 CO 0.11 0.15 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.29 1u8r s GLU 198 N -0.51 0.60 0.04 4.82 2.12 -0.37 -1.64 118.70 123.76 1u8r s GLU 198 Ca 0.03 -0.18 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 1u8r s GLU 198 Cb -0.05 -0.60 -0.07 0.00 0.26 0.00 0.00 34.13 33.66 1u8r s GLU 198 CO -0.00 0.06 1.54 0.99 -0.54 0.00 0.00 175.26 177.31 1u8r s THR 199 N 0.21 3.32 0.72 -1.70 2.01 -1.26 -0.83 115.64 118.11 1u8r s THR 199 Ca -0.02 0.75 -0.08 0.00 0.31 0.00 0.00 61.69 62.64 1u8r s THR 199 Cb -0.07 -3.48 0.06 0.00 0.01 0.00 0.00 72.50 69.02 1u8r s THR 199 CO -0.00 -0.00 1.05 0.28 -0.69 0.00 0.00 174.62 175.26 1u8r s THR 200 N 2.49 2.48 0.14 -0.82 -1.32 -0.92 -4.73 115.64 112.96 1u8r s THR 200 Ca 0.69 -0.10 -0.18 0.00 -1.21 0.00 0.00 61.69 60.89 1u8r s THR 200 Cb -0.36 -3.10 -0.02 0.00 -1.51 0.00 0.00 72.50 67.52 1u8r s THR 200 CO 0.30 -0.11 1.75 -0.65 -2.21 0.00 0.00 174.62 173.69 1u8r h PRO 201 N -0.67 0.20 -2.63 7.08 0.11 -1.95 -3.20 132.00 130.94 1u8r h PRO 201 Ca -0.45 -0.01 -0.55 0.00 0.11 0.00 0.00 66.00 65.10 1u8r h PRO 201 Cb 1.31 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1u8r h PRO 201 CO 0.62 0.13 2.35 0.41 -0.21 0.00 0.00 178.00 181.31 1u8r n GLY 202 N -1.19 4.07 2.71 -0.55 0.00 -1.26 -4.70 105.19 104.27 1u8r n GLY 202 Ca -0.01 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 2.88 0.00 0.00 -0.02 0.00 -1.21 -4.50 105.19 102.34 1u8r n GLY 203 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 0.01 -0.96 3.38 -0.02 0.00 -1.26 -4.22 105.19 102.12 1u8r n GLY 204 Ca 0.00 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.37 -0.00 -0.18 1.61 1.01 -0.71 -2.16 120.40 119.60 1u8r s VAL 205 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1u8r s VAL 205 Cb 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1u8r s VAL 205 CO 0.00 0.01 -0.10 -0.89 0.00 0.00 0.00 175.10 174.11 1u8r s THR 206 N 0.48 3.04 -0.23 3.92 2.01 -0.01 -0.40 115.64 124.46 1u8r s THR 206 Ca -0.02 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 1u8r s THR 206 Cb -0.04 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1u8r s THR 206 CO -0.02 0.48 0.19 -0.63 -0.69 0.00 0.00 174.62 173.95 1u8r s ILE 207 N 1.00 5.35 -0.43 1.82 1.01 0.62 -1.24 121.20 129.34 1u8r s ILE 207 Ca -0.01 0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.80 1u8r s ILE 207 Cb -0.15 -3.53 0.07 0.00 0.01 0.00 0.00 42.46 38.87 1u8r s ILE 207 CO -0.01 0.35 0.28 -0.69 0.00 0.00 0.00 174.94 174.87 1u8r s VAL 208 N 0.95 4.44 -0.31 2.92 1.01 0.17 -1.94 120.40 127.64 1u8r s VAL 208 Ca 0.09 -1.31 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 1u8r s VAL 208 Cb -0.13 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1u8r s VAL 208 CO 0.04 -0.51 0.31 -0.63 0.00 0.00 0.00 175.10 174.32 1u8r s ILE 209 N 1.47 5.21 -0.35 2.22 1.09 -1.26 -2.65 121.20 126.93 1u8r s ILE 209 Ca 0.03 0.20 -0.27 0.00 -1.10 0.00 0.00 60.65 59.51 1u8r s ILE 209 Cb -0.23 -3.71 -0.06 0.00 -1.06 0.00 0.00 42.46 37.40 1u8r s ILE 209 CO 0.03 0.07 2.30 -2.16 -0.10 0.00 0.00 174.94 175.07 1u8r s PRO 210 N 1.95 2.64 0.00 2.79 0.04 -1.26 -1.89 135.00 139.26 1u8r s PRO 210 Ca 0.11 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1u8r s PRO 210 Cb -0.16 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.91 1u8r s PRO 210 CO 0.11 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 174.89 1u8r n GLY 211 N 5.87 3.15 3.56 0.56 0.00 -1.26 -5.10 105.19 111.97 1u8r n GLY 211 Ca 0.33 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.07 2.50 0.91 1.61 3.76 -0.79 -5.11 115.29 118.10 1u8r s HIS 212 Ca 0.00 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.48 1u8r s HIS 212 Cb 0.00 -1.11 -0.09 0.00 1.11 0.00 0.00 32.58 32.49 1u8r s HIS 212 CO 0.00 0.65 -0.30 0.39 -0.85 0.00 0.00 174.74 174.64 1u8r n GLU 213 N -0.68 -0.04 -1.69 1.40 -0.58 -1.26 -4.31 120.64 113.48 1u8r n GLU 213 Ca -0.06 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.37 1u8r n GLU 213 Cb 0.59 -1.30 0.04 0.00 -0.57 0.00 0.00 31.44 30.20 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 -1.30 5.62 -0.04 1.62 0.01 -1.26 -4.56 114.94 115.03 1u8r s ASN 214 Ca 0.49 1.51 -0.01 0.00 -0.71 0.00 0.00 52.86 54.13 1u8r s ASN 214 Cb -0.24 -2.43 0.03 0.00 0.41 0.00 0.00 41.25 39.02 1u8r s ASN 214 CO 0.75 -1.27 0.03 0.54 -1.51 0.00 0.00 177.10 175.63 1u8r s VAL 215 N -3.11 0.09 -0.13 1.60 0.11 -0.82 -5.01 120.40 113.13 1u8r s VAL 215 Ca 0.57 0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 59.83 1u8r s VAL 215 Cb -0.13 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1u8r s VAL 215 CO 0.54 0.18 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.58 1u8r s THR 216 N 1.70 4.02 -0.10 5.04 2.01 -1.26 -0.27 115.64 126.78 1u8r s THR 216 Ca -0.00 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1u8r s THR 216 Cb -0.13 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 1u8r s THR 216 CO -0.03 0.53 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.57 1u8r s LEU 217 N -0.08 2.96 0.88 4.42 1.43 0.47 -4.99 118.68 123.77 1u8r s LEU 217 Ca 0.02 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 1u8r s LEU 217 Cb -0.13 -1.65 0.12 0.00 0.03 0.00 0.00 46.19 44.56 1u8r s LEU 217 CO 0.02 0.27 1.10 -2.84 0.23 0.00 0.00 176.35 175.14 1u8r s PRO 218 N -0.28 1.35 0.29 1.29 0.02 -1.26 -1.74 135.00 134.68 1u8r s PRO 218 Ca 0.03 1.17 0.04 0.00 0.02 0.00 0.00 61.00 62.26 1u8r s PRO 218 Cb -0.13 -1.79 0.74 0.00 0.02 0.00 0.00 34.50 33.34 1u8r s PRO 218 CO 0.03 -2.28 1.70 1.25 -0.33 0.00 0.00 177.00 177.37 1u8r h HIS 219 N -1.59 0.70 0.53 6.54 -0.00 -1.79 -1.31 115.15 118.23 1u8r h HIS 219 Ca -0.46 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 59.92 1u8r h HIS 219 Cb 1.26 -0.17 0.01 0.00 -0.00 0.00 0.00 27.41 28.51 1u8r h HIS 219 CO 0.49 -0.02 -0.26 1.05 -0.00 0.00 0.00 177.93 179.19 1u8r h GLU 220 N 0.43 -0.69 -0.88 5.26 4.11 -1.91 -2.45 114.58 118.45 1u8r h GLU 220 Ca 0.56 0.05 0.11 0.00 0.07 0.00 0.00 59.36 60.15 1u8r h GLU 220 Cb 1.06 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 1u8r h GLU 220 CO -0.51 -0.42 0.57 0.52 0.07 0.00 0.00 179.01 179.23 1u8r h MET 221 N -0.80 0.81 -0.62 1.06 2.86 -1.75 -1.16 114.93 115.32 1u8r h MET 221 Ca -0.07 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1u8r h MET 221 Cb 0.59 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1u8r h MET 221 CO 0.12 0.53 0.41 0.00 1.06 0.00 0.00 176.91 179.04 1u8r h ALA 222 N 1.57 1.60 0.00 6.32 0.00 -0.99 0.14 119.26 127.89 1u8r h ALA 222 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1u8r h ALA 222 Cb 0.47 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1u8r h ALA 222 CO -0.18 0.36 0.00 0.45 0.00 0.00 0.00 179.25 179.88 1u8r h HIS 223 N 0.80 0.00 -0.50 0.00 -0.00 -0.74 -2.42 115.15 112.31 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 -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 1u8r h HIS 223 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.93 1u8r n ALA 224 N -1.83 3.39 -3.83 2.45 0.00 0.49 -4.65 120.51 116.54 1u8r n ALA 224 Ca -0.02 -1.93 -0.27 0.00 0.00 0.00 0.00 53.44 51.23 1u8r n ALA 224 Cb 0.05 -0.95 -0.17 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.50 1.15 -0.11 0.00 1.01 -0.91 -1.74 120.40 117.30 1u8r s VAL 225 Ca 0.49 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1u8r s VAL 225 Cb 0.36 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1u8r s VAL 225 CO 0.16 0.38 0.04 -0.54 0.00 0.00 0.00 175.10 175.14 1u8r s LYS 226 N 1.45 3.25 0.29 2.72 1.02 -0.84 -1.82 119.74 125.81 1u8r s LYS 226 Ca 0.01 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.69 1u8r s LYS 226 Cb -0.13 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1u8r s LYS 226 CO -0.06 0.65 0.15 0.14 -0.92 0.00 0.00 175.35 175.31 1u8r s VAL 227 N -0.70 0.31 -0.12 3.17 -7.23 0.66 -1.28 120.40 115.20 1u8r s VAL 227 Ca 0.12 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.31 1u8r s VAL 227 Cb -0.12 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1u8r s VAL 227 CO 0.02 0.00 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.92 1u8r s GLU 228 N -3.86 2.73 -0.47 4.82 2.12 -1.02 -0.42 118.70 122.59 1u8r s GLU 228 Ca 0.36 -0.75 -0.27 0.00 0.36 0.00 0.00 54.97 54.67 1u8r s GLU 228 Cb 0.05 -2.21 -0.03 0.00 0.26 0.00 0.00 34.13 32.20 1u8r s GLU 228 CO 0.17 -0.00 1.92 0.15 -0.54 0.00 0.00 175.26 176.96 1u8r s LYS 229 N 0.80 2.86 0.00 4.30 1.02 -1.26 -1.45 119.74 126.00 1u8r s LYS 229 Ca -0.09 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.00 1u8r s LYS 229 Cb -0.16 -4.34 0.00 0.00 -0.52 0.00 0.00 37.83 32.82 1u8r s LYS 229 CO -0.00 -2.43 0.00 0.28 -0.92 0.00 0.00 175.35 172.27