#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 -0.07 3.17 2.85 -1.26 -4.98 115.26 114.97 1u8r n ASN 2 Ca 0.00 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.33 1u8r n ASN 2 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 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 -0.48 0.00 1.20 4.57 -2.04 -2.15 114.58 115.68 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 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1u8r h GLU 3 CO 0.00 -0.32 0.00 -0.07 -1.18 0.00 0.00 179.01 177.44 1u8r h LEU 4 N -0.49 0.00 0.00 1.64 3.38 -1.97 -3.47 115.31 114.39 1u8r h LEU 4 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1u8r h LEU 4 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1u8r h LEU 4 CO -0.51 0.00 0.00 0.52 0.09 0.00 0.00 178.44 178.54 1u8r n VAL 5 N -2.62 0.00 -3.42 1.22 0.31 -0.81 -4.68 118.33 108.33 1u8r n VAL 5 Ca 0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.19 1u8r n VAL 5 Cb 0.37 0.00 -0.10 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 1.55 0.10 4.52 3.68 -1.26 -4.87 116.67 120.39 1u8r s ASP 6 Ca 0.00 -0.58 -0.33 0.00 2.13 0.00 0.00 52.55 53.77 1u8r s ASP 6 Cb 0.00 0.51 -0.14 0.00 -1.45 0.00 0.00 42.92 41.84 1u8r s ASP 6 CO 0.00 -0.37 1.53 0.74 0.13 0.00 0.00 175.17 177.20 1u8r h THR 7 N 6.27 0.00 -0.46 1.71 2.02 -2.00 -2.26 112.91 118.19 1u8r h THR 7 Ca -0.15 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.11 1u8r h THR 7 Cb 1.10 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.41 1u8r h THR 7 CO 0.32 0.00 -0.39 0.74 0.37 0.00 0.00 175.52 176.56 1u8r h THR 8 N -0.74 0.14 -0.47 3.16 2.02 -1.98 -0.44 112.91 114.60 1u8r h THR 8 Ca -0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.24 1u8r h THR 8 Cb 0.73 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 1u8r h THR 8 CO -0.26 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 175.44 1u8r h GLU 9 N -0.27 0.30 -0.15 6.66 5.08 -1.96 -0.03 114.58 124.21 1u8r h GLU 9 Ca 0.17 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1u8r h GLU 9 Cb 0.57 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1u8r h GLU 9 CO -0.60 0.20 -0.03 0.52 -1.00 0.00 0.00 179.01 178.09 1u8r h MET 10 N 0.31 0.22 -0.25 2.33 2.86 -0.67 0.48 114.93 120.20 1u8r h MET 10 Ca 0.23 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.73 1u8r h MET 10 Cb 0.25 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1u8r h MET 10 CO -0.25 0.27 -0.25 1.88 1.06 0.00 0.00 176.91 179.62 1u8r h TYR 11 N 0.21 0.73 -0.53 -0.22 -1.99 0.09 -1.25 116.97 114.01 1u8r h TYR 11 Ca 0.05 -0.22 -0.02 0.00 2.00 0.00 0.00 58.73 60.54 1u8r h TYR 11 Cb 0.20 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 1u8r h TYR 11 CO 0.00 0.93 0.25 -0.07 -0.00 0.00 0.00 178.16 179.27 1u8r h LEU 12 N 0.32 0.69 -1.16 3.88 3.38 -0.34 -1.83 115.31 120.25 1u8r h LEU 12 Ca 0.04 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1u8r h LEU 12 Cb 0.81 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1u8r h LEU 12 CO 0.06 0.63 -0.24 -0.09 0.09 0.00 0.00 178.44 178.89 1u8r h ARG 13 N 0.71 0.29 -0.14 1.13 1.12 -0.90 -1.45 114.38 115.13 1u8r h ARG 13 Ca 0.18 -0.09 -0.13 0.00 -1.11 0.00 0.00 59.98 58.83 1u8r h ARG 13 Cb 0.12 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.05 1u8r h ARG 13 CO -0.02 0.52 -0.47 1.15 -3.11 0.00 0.00 179.97 178.04 1u8r h THR 14 N 0.26 1.33 -0.30 0.20 2.02 -0.84 0.33 112.91 115.90 1u8r h THR 14 Ca 0.04 -1.67 -0.04 0.00 0.77 0.00 0.00 66.41 65.52 1u8r h THR 14 Cb 0.57 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1u8r h THR 14 CO 0.04 0.51 0.05 0.40 0.37 0.00 0.00 175.52 176.88 1u8r h ILE 15 N 0.29 1.23 -0.07 3.11 1.08 -0.87 -1.59 117.51 120.69 1u8r h ILE 15 Ca 0.02 -0.81 -0.00 0.00 -0.39 0.00 0.00 64.86 63.68 1u8r h ILE 15 Cb 0.94 1.19 -0.00 0.00 -3.07 0.00 0.00 36.82 35.87 1u8r h ILE 15 CO 0.08 0.27 0.04 0.22 -0.69 0.00 0.00 178.15 178.07 1u8r h TYR 16 N 0.32 0.09 -0.53 1.37 5.03 -0.82 -2.18 116.97 120.25 1u8r h TYR 16 Ca 0.09 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.47 1u8r h TYR 16 Cb 0.35 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.54 1u8r h TYR 16 CO 0.02 0.10 0.20 -0.44 -1.32 0.00 0.00 178.16 176.72 1u8r h ASP 17 N 0.06 0.21 -0.76 -2.11 3.32 -0.28 -0.34 116.42 116.52 1u8r h ASP 17 Ca 0.03 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.19 1u8r h ASP 17 Cb 0.03 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 1u8r h ASP 17 CO -0.00 0.14 0.46 -0.07 -1.72 0.00 0.00 179.24 178.05 1u8r h LEU 18 N 0.38 0.73 -0.53 1.55 3.38 -1.06 -0.03 115.31 119.73 1u8r h LEU 18 Ca 0.26 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1u8r h LEU 18 Cb 0.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1u8r h LEU 18 CO -0.25 0.48 0.09 -0.33 0.09 0.00 0.00 178.44 178.51 1u8r h GLU 19 N 0.86 0.87 -0.21 1.13 5.08 -0.72 -1.03 114.58 120.56 1u8r h GLU 19 Ca 0.33 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1u8r h GLU 19 Cb 0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1u8r h GLU 19 CO -0.16 0.85 0.14 1.49 -1.00 0.00 0.00 179.01 180.33 1u8r h GLU 20 N 0.76 0.24 0.00 2.33 4.81 -0.25 0.12 114.58 122.60 1u8r h GLU 20 Ca 0.16 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1u8r h GLU 20 Cb 0.40 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1u8r h GLU 20 CO 0.01 0.16 -0.25 0.39 -0.73 0.00 0.00 179.01 178.59 1u8r n GLU 21 N -4.51 0.01 -1.55 1.92 1.02 -0.10 -4.94 120.64 112.50 1u8r n GLU 21 Ca 0.00 0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1u8r n GLU 21 Cb 0.10 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 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 0.41 3.68 0.62 0.00 0.03 -4.70 105.19 106.72 1u8r n GLY 22 Ca 0.06 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.09 3.88 0.04 1.61 -7.23 -0.46 -5.02 120.40 111.12 1u8r s VAL 23 Ca 0.00 -1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.65 1u8r s VAL 23 Cb 0.00 -2.91 -0.07 0.00 0.56 0.00 0.00 36.38 33.97 1u8r s VAL 23 CO 0.00 -0.01 1.51 -0.89 -0.31 0.00 0.00 175.10 175.40 1u8r s THR 24 N -1.53 3.39 -1.03 5.32 2.01 -1.26 -4.21 115.64 118.32 1u8r s THR 24 Ca 0.27 0.82 -0.23 0.00 0.31 0.00 0.00 61.69 62.85 1u8r s THR 24 Cb -0.10 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1u8r s THR 24 CO 0.19 0.00 1.90 -2.84 -0.69 0.00 0.00 174.62 173.18 1u8r s PRO 25 N 2.43 2.67 0.21 4.92 0.02 -1.26 -4.95 135.00 139.04 1u8r s PRO 25 Ca 0.68 -0.74 0.05 0.00 0.02 0.00 0.00 61.00 61.02 1u8r s PRO 25 Cb -0.35 -5.17 -0.03 0.00 0.02 0.00 0.00 34.50 28.96 1u8r s PRO 25 CO 0.29 -3.47 0.23 -0.51 -0.33 0.00 0.00 177.00 173.22 1u8r s LEU 26 N 9.81 4.01 0.27 -5.54 1.43 -1.26 0.30 118.68 127.70 1u8r s LEU 26 Ca 0.67 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1u8r s LEU 26 Cb -0.04 -2.57 0.38 0.00 0.03 0.00 0.00 46.19 44.00 1u8r s LEU 26 CO 0.04 -0.01 1.81 0.03 0.23 0.00 0.00 176.35 178.45 1u8r h ARG 27 N 1.72 0.82 -0.94 1.70 3.08 -1.93 -2.04 114.38 116.79 1u8r h ARG 27 Ca -0.49 -0.18 0.14 0.00 0.07 0.00 0.00 59.98 59.51 1u8r h ARG 27 Cb 1.22 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 31.06 1u8r h ARG 27 CO 0.62 0.76 0.56 0.00 -1.07 0.00 0.00 179.97 180.85 1u8r h ALA 28 N 1.32 1.44 0.13 0.04 0.00 -1.97 -0.99 119.26 119.22 1u8r h ALA 28 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1u8r h ALA 28 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1u8r h ALA 28 CO 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 179.25 179.21 1u8r h ARG 29 N 0.83 -0.26 -0.88 0.00 2.47 -1.74 -2.17 114.38 112.65 1u8r h ARG 29 Ca 0.49 0.02 0.13 0.00 -1.26 0.00 0.00 59.98 59.36 1u8r h ARG 29 Cb 0.59 0.06 -0.09 0.00 -1.65 0.00 0.00 29.97 28.88 1u8r h ARG 29 CO -0.31 -0.17 0.49 0.82 0.56 0.00 0.00 179.97 181.35 1u8r h ILE 30 N -0.27 0.80 -0.36 2.04 2.04 -1.12 -0.81 117.51 119.82 1u8r h ILE 30 Ca 0.00 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1u8r h ILE 30 Cb 0.26 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1u8r h ILE 30 CO -0.03 0.13 0.23 0.00 0.00 0.00 0.00 178.15 178.48 1u8r h ALA 31 N 1.54 0.45 0.56 1.87 0.00 -0.91 0.02 119.26 122.79 1u8r h ALA 31 Ca 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1u8r h ALA 31 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1u8r h ALA 31 CO -0.32 -0.10 -0.36 0.93 0.00 0.00 0.00 179.25 179.40 1u8r h GLU 32 N 0.47 -0.85 -0.38 0.00 5.08 -0.57 -0.31 114.58 118.03 1u8r h GLU 32 Ca 0.13 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1u8r h GLU 32 Cb -0.04 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1u8r h GLU 32 CO -0.04 -0.57 0.11 0.00 -1.00 0.00 0.00 179.01 177.52 1u8r h ARG 33 N -0.88 0.56 -0.37 2.33 3.08 -1.08 -2.81 114.38 115.20 1u8r h ARG 33 Ca -0.07 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1u8r h ARG 33 Cb 0.72 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1u8r h ARG 33 CO 0.06 0.50 0.00 1.28 -1.07 0.00 0.00 179.97 180.74 1u8r n LEU 34 N -4.35 3.35 -3.66 3.04 4.77 -0.02 -4.99 117.00 115.14 1u8r n LEU 34 Ca 0.02 -1.51 -0.28 0.00 -0.03 0.00 0.00 56.01 54.21 1u8r n LEU 34 Cb 0.17 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1u8r n LEU 34 CO 0.38 0.73 -0.07 -0.67 -1.33 0.00 0.00 177.39 176.42 1u8r n ASP 35 N 1.38 -4.66 -4.22 -1.43 -0.08 -0.16 -5.02 116.55 102.36 1u8r n ASP 35 Ca 0.18 -0.97 -0.18 0.00 -1.51 0.00 0.00 54.79 52.32 1u8r n ASP 35 Cb 0.58 -3.61 -0.11 0.00 2.34 0.00 0.00 41.12 40.31 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 -5.86 0.95 0.92 -0.67 -0.21 -0.96 -5.06 119.66 108.77 1u8r s GLN 36 Ca 0.39 -1.16 -0.11 0.00 0.02 0.00 0.00 55.36 54.50 1u8r s GLN 36 Cb -0.13 -0.84 0.15 0.00 1.00 0.00 0.00 33.01 33.18 1u8r s GLN 36 CO 0.85 0.17 1.10 -1.54 -2.12 0.00 0.00 175.29 173.74 1u8r s SER 37 N -2.27 3.09 0.09 5.90 1.04 -1.26 -4.63 113.70 115.66 1u8r s SER 37 Ca 0.06 1.79 -0.30 0.00 0.48 0.00 0.00 55.95 57.98 1u8r s SER 37 Cb -0.06 -2.39 -0.14 0.00 0.10 0.00 0.00 66.02 63.53 1u8r s SER 37 CO 0.02 -2.93 1.63 1.23 0.98 0.00 0.00 173.24 174.18 1u8r h GLY 38 N -1.75 -0.71 0.26 7.32 0.00 -1.98 -2.23 103.07 103.99 1u8r h GLY 38 Ca -0.48 0.34 0.18 0.00 0.00 0.00 0.00 47.33 47.37 1u8r h GLY 38 CO 0.49 -0.27 0.61 -2.55 0.00 0.00 0.00 176.54 174.82 1u8r h PRO 39 N -0.66 0.62 0.53 4.80 0.11 -1.99 -1.69 132.00 133.72 1u8r h PRO 39 Ca -0.03 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 1u8r h PRO 39 Cb 0.58 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.55 1u8r h PRO 39 CO -0.02 0.41 -0.26 1.15 -0.21 0.00 0.00 178.00 179.07 1u8r h THR 40 N 0.64 0.45 -0.66 -1.15 2.02 -1.78 -1.46 112.91 110.97 1u8r h THR 40 Ca 0.52 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.55 1u8r h THR 40 Cb 0.95 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1u8r h THR 40 CO -0.27 0.03 0.44 -0.37 0.37 0.00 0.00 175.52 175.71 1u8r h VAL 41 N -0.82 1.15 0.49 3.16 -1.51 -0.84 -0.78 116.25 117.10 1u8r h VAL 41 Ca -0.07 -0.30 -0.02 0.00 -1.23 0.00 0.00 66.70 65.07 1u8r h VAL 41 Cb 0.59 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 1u8r h VAL 41 CO 0.12 0.16 -0.24 0.28 -1.23 0.00 0.00 177.57 176.66 1u8r h SER 42 N 0.87 -0.56 -0.82 4.19 0.02 -1.23 0.15 113.55 116.17 1u8r h SER 42 Ca 0.25 0.02 0.19 0.00 -0.84 0.00 0.00 61.79 61.41 1u8r h SER 42 Cb -0.06 0.15 -0.15 0.00 0.14 0.00 0.00 62.40 62.47 1u8r h SER 42 CO -0.06 -0.37 -0.01 -0.61 -1.14 0.00 0.00 176.83 174.65 1u8r h GLN 43 N -0.73 0.08 -0.41 3.45 4.15 -1.08 0.24 115.11 120.81 1u8r h GLN 43 Ca -0.07 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1u8r h GLN 43 Cb 0.51 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 1u8r h GLN 43 CO 0.11 0.05 0.20 1.15 -1.93 0.00 0.00 178.83 178.41 1u8r h THR 44 N 0.08 1.18 -0.69 2.39 2.02 -1.00 -2.25 112.91 114.64 1u8r h THR 44 Ca 0.46 -0.51 0.12 0.00 0.77 0.00 0.00 66.41 67.25 1u8r h THR 44 Cb 0.83 0.75 -0.09 0.00 -1.74 0.00 0.00 68.15 67.90 1u8r h THR 44 CO -0.75 0.19 0.25 0.58 0.37 0.00 0.00 175.52 176.16 1u8r h VAL 45 N 0.53 0.68 0.43 3.16 2.07 0.24 -1.33 116.25 122.03 1u8r h VAL 45 Ca 0.14 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1u8r h VAL 45 Cb 0.12 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1u8r h VAL 45 CO -0.02 0.07 -0.47 0.28 0.02 0.00 0.00 177.57 177.45 1u8r h SER 46 N 0.40 -1.30 -0.96 0.57 0.02 -0.71 0.48 113.55 112.05 1u8r h SER 46 Ca 0.37 0.11 0.30 0.00 -0.84 0.00 0.00 61.79 61.73 1u8r h SER 46 Cb 0.53 0.44 -0.16 0.00 0.14 0.00 0.00 62.40 63.35 1u8r h SER 46 CO -0.38 -0.62 0.37 0.03 -1.14 0.00 0.00 176.83 175.09 1u8r h ARG 47 N -0.92 0.17 -0.38 3.45 3.08 -0.73 0.71 114.38 119.75 1u8r h ARG 47 Ca -0.05 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1u8r h ARG 47 Cb 0.82 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1u8r h ARG 47 CO -0.09 0.11 -0.11 0.52 -1.07 0.00 0.00 179.97 179.33 1u8r h MET 48 N 0.17 0.75 -0.07 0.04 2.86 0.05 -1.87 114.93 116.85 1u8r h MET 48 Ca 0.68 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1u8r h MET 48 Cb 1.53 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.15 1u8r h MET 48 CO -0.71 0.90 0.04 1.49 1.06 0.00 0.00 176.91 179.69 1u8r h GLU 49 N 0.55 0.11 -0.30 1.72 4.81 0.46 -1.15 114.58 120.78 1u8r h GLU 49 Ca 0.09 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1u8r h GLU 49 Cb 0.63 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1u8r h GLU 49 CO 0.04 0.19 0.39 -0.09 -0.73 0.00 0.00 179.01 178.82 1u8r h ARG 50 N -0.00 0.00 -0.49 1.92 2.43 0.28 0.53 114.38 119.05 1u8r h ARG 50 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1u8r h ARG 50 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1u8r h ARG 50 CO -0.00 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 1u8r n ASP 51 N -3.55 4.26 -3.66 -3.80 8.00 -0.53 -4.98 116.55 112.29 1u8r n ASP 51 Ca 0.05 -2.53 -0.23 0.00 0.71 0.00 0.00 54.79 52.79 1u8r n ASP 51 Cb 0.54 -0.51 0.06 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.58 -0.42 0.05 0.44 0.00 0.19 -4.91 105.19 101.12 1u8r n GLY 52 Ca 0.22 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.53 0.00 -3.83 0.99 4.77 -0.67 -4.30 117.00 109.43 1u8r n LEU 53 Ca -0.14 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.76 1u8r n LEU 53 Cb 0.61 0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.94 1u8r n LEU 53 CO 0.68 0.23 0.50 -1.48 -1.33 0.00 0.00 177.39 175.99 1u8r s LEU 54 N -4.93 -0.08 -0.02 2.23 0.05 -1.26 -1.43 118.68 113.24 1u8r s LEU 54 Ca -0.09 -0.94 -0.03 0.00 0.05 0.00 0.00 54.13 53.12 1u8r s LEU 54 Cb 0.10 2.78 0.00 0.00 -2.05 0.00 0.00 46.19 47.02 1u8r s LEU 54 CO 0.83 -1.55 0.09 -0.13 -0.55 0.00 0.00 176.35 175.04 1u8r s ARG 55 N -2.96 0.19 -0.41 1.48 0.52 0.65 -4.27 118.95 114.15 1u8r s ARG 55 Ca 0.14 -0.05 -0.19 0.00 -0.52 0.00 0.00 55.73 55.12 1u8r s ARG 55 Cb -0.05 0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.52 1u8r s ARG 55 CO 0.10 -0.03 0.52 0.08 0.02 0.00 0.00 175.30 175.98 1u8r s VAL 56 N -0.37 4.99 0.51 3.52 1.01 -1.26 -1.13 120.40 127.67 1u8r s VAL 56 Ca -0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 1u8r s VAL 56 Cb -0.03 -4.07 0.13 0.00 0.00 0.00 0.00 36.38 32.41 1u8r s VAL 56 CO 0.00 -0.42 0.38 0.00 0.00 0.00 0.00 175.10 175.06 1u8r n ALA 57 N 5.85 -1.63 -0.10 5.51 0.00 -0.62 -4.84 120.51 124.68 1u8r n ALA 57 Ca -0.05 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 1u8r n ALA 57 Cb 0.48 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.65 0.81 1.20 0.00 0.00 -1.97 -2.51 103.07 98.94 1u8r h GLY 58 Ca -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.34 1u8r h GLY 58 CO 0.10 0.75 0.00 2.09 0.00 0.00 0.00 176.54 179.48 1u8r n ASP 59 N -4.23 0.00 0.00 0.19 5.68 -1.26 -4.87 116.55 112.06 1u8r n ASP 59 Ca -0.04 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 1u8r n ASP 59 Cb 0.49 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 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 -1.10 0.00 -1.99 0.11 1.74 -0.95 -5.05 116.66 109.43 1u8r n ARG 60 Ca 0.19 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.96 1u8r n ARG 60 Cb 0.14 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 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 -2.38 3.48 -0.11 -1.55 -3.43 -1.26 -4.64 115.29 105.41 1u8r s HIS 61 Ca 0.00 1.37 -0.19 0.00 -0.80 0.00 0.00 55.06 55.44 1u8r s HIS 61 Cb 0.00 -2.78 -0.04 0.00 -1.43 0.00 0.00 32.58 28.33 1u8r s HIS 61 CO 0.00 -0.69 0.50 -0.51 -2.00 0.00 0.00 174.74 172.04 1u8r s LEU 62 N -4.88 4.29 -0.18 5.38 1.43 0.15 -1.58 118.68 123.28 1u8r s LEU 62 Ca 0.57 0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 54.53 1u8r s LEU 62 Cb -0.11 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.37 1u8r s LEU 62 CO 0.47 -0.01 -0.14 -0.70 0.23 0.00 0.00 176.35 176.20 1u8r s GLU 63 N 0.60 3.17 0.19 1.70 2.56 -0.28 -4.76 118.70 121.89 1u8r s GLU 63 Ca 0.27 -0.74 -0.30 0.00 0.00 0.00 0.00 54.97 54.20 1u8r s GLU 63 Cb -0.15 -2.72 -0.08 0.00 2.00 0.00 0.00 34.13 33.18 1u8r s GLU 63 CO 0.11 -0.14 1.08 -0.51 -0.56 0.00 0.00 175.26 175.24 1u8r s LEU 64 N 1.21 4.51 0.80 2.70 1.43 -1.26 -0.26 118.68 127.81 1u8r s LEU 64 Ca 0.02 2.08 -0.10 0.00 -1.03 0.00 0.00 54.13 55.10 1u8r s LEU 64 Cb -0.14 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.57 1u8r s LEU 64 CO -0.06 -0.17 1.14 0.42 0.23 0.00 0.00 176.35 177.91 1u8r s THR 65 N -0.42 2.10 0.17 5.49 -4.23 -0.51 -4.72 115.64 113.52 1u8r s THR 65 Ca 0.48 -0.13 -0.25 0.00 -1.18 0.00 0.00 61.69 60.61 1u8r s THR 65 Cb -0.29 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.62 1u8r s THR 65 CO 0.35 0.00 1.57 -0.08 -0.54 0.00 0.00 174.62 175.92 1u8r h GLU 66 N -0.99 -0.21 0.60 3.99 4.57 -1.88 0.24 114.58 120.89 1u8r h GLU 66 Ca -0.45 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.72 1u8r h GLU 66 Cb 1.30 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.95 1u8r h GLU 66 CO 0.57 -0.14 -0.29 -0.22 -1.18 0.00 0.00 179.01 177.75 1u8r h LYS 67 N -0.22 -0.77 -0.82 1.92 3.64 -1.89 -2.49 116.57 115.94 1u8r h LYS 67 Ca 0.18 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.81 1u8r h LYS 67 Cb 0.56 0.18 -0.12 0.00 -0.41 0.00 0.00 32.23 32.43 1u8r h LYS 67 CO -0.70 -0.51 0.24 0.78 -2.27 0.00 0.00 179.45 176.99 1u8r h GLY 68 N -0.81 1.23 1.29 5.01 0.00 -1.41 -0.88 103.07 107.50 1u8r h GLY 68 Ca -0.08 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 1u8r h GLY 68 CO 0.13 -0.26 -0.39 -0.09 0.00 0.00 0.00 176.54 175.93 1u8r h ARG 69 N 0.28 0.78 -0.65 4.80 2.43 -0.89 -1.12 114.38 120.01 1u8r h ARG 69 Ca 0.49 -0.40 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1u8r h ARG 69 Cb 0.90 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.41 1u8r h ARG 69 CO -0.56 1.03 0.37 0.00 -1.51 0.00 0.00 179.97 179.30 1u8r h ALA 70 N 0.92 0.86 -0.06 2.80 0.00 -0.71 -0.23 119.26 122.84 1u8r h ALA 70 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1u8r h ALA 70 Cb 0.94 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1u8r h ALA 70 CO 0.09 0.06 -0.05 1.25 0.00 0.00 0.00 179.25 180.60 1u8r h LEU 71 N 0.70 0.15 -0.48 0.00 6.46 -1.34 -2.19 115.31 118.60 1u8r h LEU 71 Ca 0.28 -0.46 0.10 0.00 -0.12 0.00 0.00 57.88 57.69 1u8r h LEU 71 Cb 0.14 -0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 39.93 1u8r h LEU 71 CO -0.16 0.58 -0.22 0.00 -0.62 0.00 0.00 178.44 178.01 1u8r h ALA 72 N 0.58 0.12 -0.28 1.25 0.00 -0.75 0.63 119.26 120.82 1u8r h ALA 72 Ca 0.01 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1u8r h ALA 72 Cb 0.53 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1u8r h ALA 72 CO 0.01 -0.56 0.02 0.82 0.00 0.00 0.00 179.25 179.53 1u8r h ILE 73 N -0.12 0.82 -0.54 0.00 2.04 -1.05 -1.09 117.51 117.58 1u8r h ILE 73 Ca 0.23 -0.04 0.11 0.00 1.00 0.00 0.00 64.86 66.16 1u8r h ILE 73 Cb 0.47 0.71 -0.10 0.00 -0.74 0.00 0.00 36.82 37.16 1u8r h ILE 73 CO -0.56 0.02 -0.07 0.00 0.00 0.00 0.00 178.15 177.54 1u8r h ALA 74 N 1.23 0.43 -0.07 1.87 0.00 -0.30 0.14 119.26 122.55 1u8r h ALA 74 Ca 0.13 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1u8r h ALA 74 Cb 0.16 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u8r h ALA 74 CO -0.21 -0.42 0.03 0.28 0.00 0.00 0.00 179.25 178.94 1u8r h VAL 75 N 0.05 1.12 -0.88 0.00 2.07 -0.22 -2.40 116.25 116.00 1u8r h VAL 75 Ca 0.27 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 67.55 1u8r h VAL 75 Cb 0.41 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1u8r h VAL 75 CO -0.51 0.10 0.57 -0.03 0.02 0.00 0.00 177.57 177.72 1u8r h MET 76 N -0.03 0.77 -0.26 1.57 -1.53 -0.40 0.32 114.93 115.37 1u8r h MET 76 Ca 0.02 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 1u8r h MET 76 Cb 0.14 -0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 31.00 1u8r h MET 76 CO -0.00 0.51 0.13 -0.09 0.14 0.00 0.00 176.91 177.60 1u8r h ARG 77 N 0.79 0.37 -0.27 0.39 2.43 -0.32 -1.77 114.38 116.00 1u8r h ARG 77 Ca 0.42 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1u8r h ARG 77 Cb 0.53 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1u8r h ARG 77 CO -0.19 0.35 0.01 0.87 -1.51 0.00 0.00 179.97 179.51 1u8r h LYS 78 N 0.30 0.47 -0.32 0.20 1.57 -0.86 -1.74 116.57 116.20 1u8r h LYS 78 Ca 0.09 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1u8r h LYS 78 Cb 0.09 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.28 1u8r h LYS 78 CO -0.01 0.62 -0.43 1.25 -0.57 0.00 0.00 179.45 180.30 1u8r h HIS 79 N 0.27 -1.26 -0.44 -1.35 2.76 -0.78 -0.18 115.15 114.16 1u8r h HIS 79 Ca 0.08 0.06 -0.11 0.00 -2.20 0.00 0.00 60.37 58.20 1u8r h HIS 79 Cb 0.40 0.60 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 1u8r h HIS 79 CO 0.03 -0.46 -0.18 0.00 -1.30 0.00 0.00 177.93 176.03 1u8r h ARG 80 N -0.39 0.86 -0.54 5.26 3.08 -1.25 -1.13 114.38 120.27 1u8r h ARG 80 Ca 0.11 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 1u8r h ARG 80 Cb 0.60 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1u8r h ARG 80 CO -0.52 0.97 0.23 -0.07 -1.07 0.00 0.00 179.97 179.51 1u8r h LEU 81 N 0.76 0.71 0.02 3.04 3.38 -1.02 -0.94 115.31 121.25 1u8r h LEU 81 Ca 0.11 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1u8r h LEU 81 Cb 0.70 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1u8r h LEU 81 CO 0.05 0.63 -0.01 0.00 0.09 0.00 0.00 178.44 179.20 1u8r h ALA 82 N 1.48 -0.03 -0.95 1.53 0.00 -0.69 -0.90 119.26 119.71 1u8r h ALA 82 Ca 0.19 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1u8r h ALA 82 Cb 0.14 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 1u8r h ALA 82 CO -0.02 -0.40 0.56 0.93 0.00 0.00 0.00 179.25 180.32 1u8r h GLU 83 N -0.26 0.80 0.47 0.00 5.08 -0.73 0.11 114.58 120.05 1u8r h GLU 83 Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1u8r h GLU 83 Cb 0.25 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1u8r h GLU 83 CO 0.00 0.53 -0.38 0.00 -1.00 0.00 0.00 179.01 178.17 1u8r h ARG 84 N 0.83 -0.79 -0.96 2.33 2.47 -0.74 -1.87 114.38 115.64 1u8r h ARG 84 Ca 0.50 0.05 0.21 0.00 -1.26 0.00 0.00 59.98 59.48 1u8r h ARG 84 Cb 0.61 0.18 -0.08 0.00 -1.65 0.00 0.00 29.97 29.03 1u8r h ARG 84 CO -0.31 -0.53 0.62 1.25 0.56 0.00 0.00 179.97 181.56 1u8r h LEU 85 N -0.82 0.53 -0.27 3.04 5.85 -0.08 -0.68 115.31 122.89 1u8r h LEU 85 Ca -0.06 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1u8r h LEU 85 Cb 0.68 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1u8r h LEU 85 CO 0.01 0.19 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.14 1u8r h LEU 86 N 0.52 0.53 0.18 2.25 3.38 -0.55 -1.29 115.31 120.32 1u8r h LEU 86 Ca 0.53 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1u8r h LEU 86 Cb 1.15 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1u8r h LEU 86 CO -0.26 0.79 -0.08 0.58 0.09 0.00 0.00 178.44 179.55 1u8r h VAL 87 N 0.27 0.66 0.61 1.22 2.07 -0.50 0.21 116.25 120.78 1u8r h VAL 87 Ca 0.07 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1u8r h VAL 87 Cb 0.56 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1u8r h VAL 87 CO 0.03 0.18 -0.29 0.44 0.02 0.00 0.00 177.57 177.95 1u8r h ASP 88 N -0.94 -0.70 0.00 0.57 3.32 -1.30 -3.24 116.42 114.13 1u8r h ASP 88 Ca -0.02 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1u8r h ASP 88 Cb 0.48 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1u8r h ASP 88 CO 0.04 -0.32 -0.16 0.58 -1.72 0.00 0.00 179.24 177.66 1u8r h VAL 89 N -1.14 0.00 -0.43 -1.35 2.07 -1.68 -3.39 116.25 110.33 1u8r h VAL 89 Ca -0.08 -0.57 0.10 0.00 0.82 0.00 0.00 66.70 66.97 1u8r h VAL 89 Cb 0.67 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1u8r h VAL 89 CO 0.14 0.00 0.30 0.40 0.02 0.00 0.00 177.57 178.43 1u8r h ILE 90 N -0.57 0.84 -1.38 4.57 1.08 -1.30 -3.46 117.51 117.28 1u8r h ILE 90 Ca 0.00 -0.04 -0.10 0.00 -0.39 0.00 0.00 64.86 64.34 1u8r h ILE 90 Cb 0.16 0.72 0.01 0.00 -3.07 0.00 0.00 36.82 34.64 1u8r h ILE 90 CO 0.00 0.02 -0.14 0.61 -0.69 0.00 0.00 178.15 177.95 1u8r n GLY 91 N -1.59 0.37 3.77 5.37 0.00 -0.07 -5.00 105.19 108.04 1u8r n GLY 91 Ca 0.07 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.93 4.54 0.31 0.99 2.96 0.53 -4.99 118.68 121.09 1u8r s LEU 92 Ca 0.06 1.50 -0.28 0.00 -0.22 0.00 0.00 54.13 55.20 1u8r s LEU 92 Cb -0.03 -3.19 -0.13 0.00 0.50 0.00 0.00 46.19 43.34 1u8r s LEU 92 CO 0.08 0.16 1.09 -0.81 -1.32 0.00 0.00 176.35 175.55 1u8r n PRO 93 N 2.01 1.57 -0.18 0.98 -0.04 -1.26 -4.34 135.00 133.74 1u8r n PRO 93 Ca -0.06 0.55 -0.11 0.00 -0.04 0.00 0.00 63.50 63.85 1u8r n PRO 93 Cb 0.50 -2.00 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 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 2.11 -1.50 0.00 0.54 7.01 -1.97 -1.30 115.95 120.85 1u8r h TRP 94 Ca -0.42 0.08 0.00 0.00 2.11 0.00 0.00 58.89 60.67 1u8r h TRP 94 Cb 1.32 0.72 0.00 0.00 -2.10 0.00 0.00 29.16 29.11 1u8r h TRP 94 CO 0.48 -0.45 0.00 -0.85 -2.79 0.00 0.00 178.44 174.83 1u8r n GLU 95 N -5.39 0.59 0.00 2.65 0.00 -1.26 -2.81 120.64 114.43 1u8r n GLU 95 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1u8r n GLU 95 Cb 0.34 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.51 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 3.39 -0.25 3.44 1.02 -0.51 -4.85 120.64 123.21 1u8r n GLU 96 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1u8r n GLU 96 Cb 0.18 -0.70 0.04 0.00 -0.02 0.00 0.00 31.44 30.95 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 1.26 -0.33 2.62 -1.51 -1.35 -3.03 116.25 113.91 1u8r h VAL 97 Ca 0.00 -1.00 0.06 0.00 -1.23 0.00 0.00 66.70 64.53 1u8r h VAL 97 Cb 0.04 0.56 -0.06 0.00 -2.13 0.00 0.00 31.29 29.71 1u8r h VAL 97 CO 0.00 0.38 -0.03 -0.74 -1.23 0.00 0.00 177.57 175.95 1u8r h HIS 98 N 1.06 -0.08 0.00 5.19 -0.00 -1.89 0.16 115.15 119.60 1u8r h HIS 98 Ca 0.22 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.57 1u8r h HIS 98 Cb 0.40 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 1u8r h HIS 98 CO 0.03 -0.09 -0.22 0.00 -0.00 0.00 0.00 177.93 177.65 1u8r h ALA 99 N 1.30 1.61 -0.02 5.26 0.00 -1.88 0.58 119.26 126.12 1u8r h ALA 99 Ca 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1u8r h ALA 99 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1u8r h ALA 99 CO -0.30 0.28 -0.12 1.49 0.00 0.00 0.00 179.25 180.60 1u8r h GLU 100 N 0.00 0.11 0.00 0.00 4.57 -1.20 -3.19 114.58 114.87 1u8r h GLU 100 Ca -0.00 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 1u8r h GLU 100 Cb 0.40 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1u8r h GLU 100 CO 0.03 0.79 -0.12 0.00 -1.18 0.00 0.00 179.01 178.52 1u8r h ALA 101 N 0.32 1.15 0.00 2.92 0.00 -0.45 -1.62 119.26 121.59 1u8r h ALA 101 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u8r h ALA 101 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1u8r h ALA 101 CO 0.02 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1u8r n ARG 103 N -1.37 0.37 0.23 0.00 1.74 -0.65 -4.57 116.66 112.40 1u8r n ARG 103 Ca 0.04 0.11 0.05 0.00 -0.77 0.00 0.00 57.85 57.28 1u8r n ARG 103 Cb 0.09 -1.23 0.51 0.00 -1.02 0.00 0.00 32.46 30.81 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 -0.20 0.00 0.00 -1.55 4.06 -1.07 -2.11 115.95 115.08 1u8r h TRP 104 Ca -0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.58 1u8r h TRP 104 Cb 1.47 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.63 1u8r h TRP 104 CO -0.01 0.17 0.08 1.05 -3.56 0.00 0.00 178.44 176.18 1u8r h GLU 105 N 0.00 0.00 -0.53 0.49 4.11 -1.27 -0.81 114.58 116.57 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 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1u8r h GLU 105 CO 0.02 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.82 1u8r n HIS 106 N -2.98 0.70 0.00 2.06 8.25 -0.79 -4.47 115.22 117.99 1u8r n HIS 106 Ca -0.03 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 1u8r n HIS 106 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 1.48 0.00 -2.01 1.59 0.24 -0.37 -5.01 118.33 114.25 1u8r n VAL 107 Ca 0.21 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 1u8r n VAL 107 Cb 0.59 0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.23 4.24 0.67 7.34 -1.94 -0.85 -4.99 119.30 123.54 1u8r s MET 108 Ca 0.00 2.27 -0.11 0.00 -1.71 0.00 0.00 55.69 56.13 1u8r s MET 108 Cb 0.00 -3.24 -0.01 0.00 2.01 0.00 0.00 34.83 33.59 1u8r s MET 108 CO 0.00 -0.57 1.06 -1.54 -0.01 0.00 0.00 175.02 173.96 1u8r s SER 109 N 1.28 5.76 0.49 3.03 1.04 -1.26 -4.94 113.70 119.10 1u8r s SER 109 Ca 0.69 1.33 0.27 0.00 0.48 0.00 0.00 55.95 58.72 1u8r s SER 109 Cb -0.41 -2.25 1.26 0.00 0.10 0.00 0.00 66.02 64.72 1u8r s SER 109 CO 0.31 -1.16 1.98 -0.08 0.98 0.00 0.00 173.24 175.26 1u8r h GLU 110 N -0.53 0.00 0.43 4.02 4.81 -2.00 -2.80 114.58 118.51 1u8r h GLU 110 Ca -0.44 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1u8r h GLU 110 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1u8r h GLU 110 CO 0.62 0.15 -0.20 -0.44 -0.73 0.00 0.00 179.01 178.41 1u8r h ASP 111 N 0.00 -0.48 -1.04 1.04 3.45 -2.00 -2.82 116.42 114.56 1u8r h ASP 111 Ca -0.00 -0.09 0.28 0.00 0.43 0.00 0.00 57.03 57.64 1u8r h ASP 111 Cb 0.50 0.13 -0.07 0.00 -0.56 0.00 0.00 39.33 39.33 1u8r h ASP 111 CO 0.02 -0.07 0.70 0.58 -1.57 0.00 0.00 179.24 178.90 1u8r h VAL 112 N -1.02 0.51 0.88 -1.35 2.07 -1.92 -0.51 116.25 114.91 1u8r h VAL 112 Ca -0.06 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1u8r h VAL 112 Cb 0.55 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1u8r h VAL 112 CO 0.10 0.05 -0.50 -0.33 0.02 0.00 0.00 177.57 176.91 1u8r h GLU 113 N 0.26 -1.23 -0.42 1.57 5.08 -1.39 0.89 114.58 119.34 1u8r h GLU 113 Ca 0.56 0.08 0.08 0.00 -1.00 0.00 0.00 59.36 59.08 1u8r h GLU 113 Cb 1.67 0.28 -0.09 0.00 0.50 0.00 0.00 28.75 31.11 1u8r h GLU 113 CO -0.18 -0.82 -0.32 0.00 -1.00 0.00 0.00 179.01 176.69 1u8r h ARG 114 N -1.27 -0.23 -0.52 2.33 3.08 -0.87 0.59 114.38 117.48 1u8r h ARG 114 Ca -0.12 0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1u8r h ARG 114 Cb 1.00 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 1u8r h ARG 114 CO 0.15 -0.15 0.35 0.00 -1.07 0.00 0.00 179.97 179.24 1u8r h ARG 115 N -0.24 0.60 -0.16 0.04 3.08 -1.24 0.22 114.38 116.68 1u8r h ARG 115 Ca 0.18 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1u8r h ARG 115 Cb 0.54 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1u8r h ARG 115 CO -0.55 0.40 -0.19 -0.07 -1.07 0.00 0.00 179.97 178.49 1u8r h LEU 116 N 0.62 0.25 -0.64 3.04 3.38 0.13 -1.46 115.31 120.64 1u8r h LEU 116 Ca 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1u8r h LEU 116 Cb 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1u8r h LEU 116 CO -0.05 0.46 0.35 0.58 0.09 0.00 0.00 178.44 179.87 1u8r h VAL 117 N 0.25 1.20 -0.08 1.22 2.07 0.62 -1.76 116.25 119.77 1u8r h VAL 117 Ca 0.04 -0.51 -0.16 0.00 0.82 0.00 0.00 66.70 66.89 1u8r h VAL 117 Cb 0.48 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1u8r h VAL 117 CO 0.03 0.22 -0.66 0.11 0.02 0.00 0.00 177.57 177.29 1u8r h LYS 118 N 0.87 0.32 0.00 1.57 1.79 -1.14 0.17 116.57 120.15 1u8r h LYS 118 Ca 0.22 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1u8r h LYS 118 Cb 0.05 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1u8r h LYS 118 CO -0.04 0.87 -0.04 0.28 -1.08 0.00 0.00 179.45 179.44 1u8r h VAL 119 N 0.23 0.09 -0.16 0.50 2.07 -1.01 -3.15 116.25 114.83 1u8r h VAL 119 Ca -0.02 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1u8r h VAL 119 Cb 1.20 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1u8r h VAL 119 CO 0.11 0.04 0.00 0.18 0.02 0.00 0.00 177.57 177.92 1u8r n LEU 120 N -3.13 2.56 -2.31 2.57 4.77 -0.68 -5.00 117.00 115.78 1u8r n LEU 120 Ca 0.02 -1.30 -0.07 0.00 -0.03 0.00 0.00 56.01 54.62 1u8r n LEU 120 Cb 0.42 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1u8r n LEU 120 CO 0.31 0.53 0.02 0.59 -1.33 0.00 0.00 177.39 177.51 1u8r n ASN 121 N 0.86 -3.78 -4.01 -1.43 5.03 -1.05 -4.05 115.26 106.83 1u8r n ASN 121 Ca 0.11 -0.33 -0.28 0.00 0.87 0.00 0.00 54.58 54.95 1u8r n ASN 121 Cb 0.41 -2.76 -0.03 0.00 -1.02 0.00 0.00 39.78 36.38 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 -2.27 -0.70 -4.45 6.41 3.02 0.57 -4.90 115.26 112.93 1u8r n ASN 122 Ca -0.06 -1.08 -0.31 0.00 -0.03 0.00 0.00 54.58 53.11 1u8r n ASN 122 Cb 0.56 -2.72 0.18 0.00 -0.61 0.00 0.00 39.78 37.19 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 -4.45 -1.24 0.00 3.52 -0.04 -1.26 -4.96 135.00 126.57 1u8r n PRO 123 Ca -0.29 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1u8r n PRO 123 Cb 0.67 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 -4.33 0.00 -4.10 0.52 -2.24 -1.26 -4.94 114.28 97.93 1u8r n THR 124 Ca 0.05 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 1u8r n THR 124 Cb 0.55 1.54 -0.06 0.00 -2.10 0.00 0.00 70.33 70.27 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 -0.07 0.00 0.48 4.28 -4.23 -1.26 -1.36 115.64 113.48 1u8r s THR 125 Ca 0.00 -1.66 0.08 0.00 -1.18 0.00 0.00 61.69 58.94 1u8r s THR 125 Cb 0.00 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.41 1u8r s THR 125 CO 0.00 0.00 0.65 -0.94 -0.54 0.00 0.00 174.62 173.79 1u8r s SER 126 N -3.16 5.45 0.00 3.99 1.04 0.14 -4.81 113.70 116.35 1u8r s SER 126 Ca 0.31 -0.55 0.06 0.00 0.48 0.00 0.00 55.95 56.25 1u8r s SER 126 Cb 0.01 -0.35 0.33 0.00 0.10 0.00 0.00 66.02 66.12 1u8r s SER 126 CO 0.15 -0.97 0.84 -2.65 0.98 0.00 0.00 173.24 171.59 1u8r n PRO 127 N -2.00 0.17 0.00 4.02 -0.02 -1.26 -0.58 135.00 135.33 1u8r n PRO 127 Ca 0.11 0.03 0.02 0.00 -2.02 0.00 0.00 63.50 61.64 1u8r n PRO 127 Cb 0.60 -1.50 0.02 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 -1.04 0.00 -0.09 6.00 3.01 -1.26 -4.87 117.46 119.22 1u8r n PHE 128 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1u8r n PHE 128 Cb 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 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 0.28 0.56 3.76 1.37 0.00 0.26 -2.33 105.19 109.09 1u8r n GLY 129 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.66 7.52 0.36 1.61 -0.87 -1.26 -4.68 114.94 114.95 1u8r s ASN 130 Ca 0.00 1.80 -0.27 0.00 -1.57 0.00 0.00 52.86 52.82 1u8r s ASN 130 Cb 0.00 -2.56 -0.09 0.00 -0.02 0.00 0.00 41.25 38.58 1u8r s ASN 130 CO 0.00 0.18 1.25 -2.16 -2.57 0.00 0.00 177.10 173.80 1u8r s PRO 131 N -1.15 4.24 -0.40 -0.60 0.04 -1.26 -0.68 135.00 135.18 1u8r s PRO 131 Ca 0.38 2.07 -0.28 0.00 0.04 0.00 0.00 61.00 63.22 1u8r s PRO 131 Cb -0.25 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.38 1u8r s PRO 131 CO 0.29 -0.24 1.04 0.42 0.04 0.00 0.00 177.00 178.56 1u8r s ILE 132 N -1.23 4.42 1.12 0.56 1.01 -0.46 -4.89 121.20 121.73 1u8r s ILE 132 Ca 0.52 1.32 -0.19 0.00 0.00 0.00 0.00 60.65 62.31 1u8r s ILE 132 Cb -0.37 -4.46 0.26 0.00 0.01 0.00 0.00 42.46 37.91 1u8r s ILE 132 CO 0.48 -0.71 1.22 -2.16 0.00 0.00 0.00 174.94 173.77 1u8r s PRO 133 N 3.89 -0.58 -1.05 2.79 0.04 -1.26 -4.30 135.00 134.53 1u8r s PRO 133 Ca 0.43 -0.32 -0.13 0.00 0.04 0.00 0.00 61.00 61.02 1u8r s PRO 133 Cb -0.10 -1.70 0.13 0.00 0.04 0.00 0.00 34.50 32.88 1u8r s PRO 133 CO 0.23 -3.24 0.33 0.41 0.04 0.00 0.00 177.00 174.77 1u8r n GLY 134 N -2.31 -0.36 0.13 0.56 0.00 -1.26 -4.67 105.19 97.27 1u8r n GLY 134 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.48 0.00 0.19 0.99 3.38 -1.95 -3.06 115.31 114.38 1u8r h LEU 135 Ca -0.33 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.33 1u8r h LEU 135 Cb 1.06 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.84 1u8r h LEU 135 CO 0.50 0.66 -1.32 -2.24 0.09 0.00 0.00 178.44 176.13 1u8r h ASP 136 N 0.00 0.83 -0.11 -0.43 2.03 -1.87 -2.78 116.42 114.08 1u8r h ASP 136 Ca -0.01 -0.88 0.03 0.00 -0.73 0.00 0.00 57.03 55.44 1u8r h ASP 136 Cb 1.19 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 39.42 1u8r h ASP 136 CO 0.09 1.64 0.15 -0.33 -1.03 0.00 0.00 179.24 179.76 1u8r h GLU 137 N 0.14 0.00 -0.01 4.15 3.07 -1.89 0.58 114.58 120.61 1u8r h GLU 137 Ca -0.22 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.57 1u8r h GLU 137 Cb 2.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.93 1u8r h GLU 137 CO 0.25 0.00 -0.27 1.25 -1.40 0.00 0.00 179.01 178.84 1u8r h LEU 138 N 0.00 0.26 0.00 1.33 6.46 -1.43 -3.48 115.31 118.45 1u8r h LEU 138 Ca 0.05 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 57.07 1u8r h LEU 138 Cb 0.35 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1u8r h LEU 138 CO -0.00 0.96 0.00 0.61 -0.62 0.00 0.00 178.44 179.39 1u8r n GLY 139 N 0.95 0.29 0.00 3.75 0.00 0.19 -5.02 105.19 105.35 1u8r n GLY 139 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.96 1.61 0.24 -1.11 -5.02 118.33 113.09 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 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 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 -2.31 0.00 7.63 0.00 -1.26 -4.17 105.19 105.09 1u8r n GLY 141 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.62 0.00 -4.75 0.99 7.94 -1.26 -4.94 117.00 111.36 1u8r n LEU 151 Ca -0.02 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.55 1u8r n LEU 151 Cb 0.45 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.32 1u8r n LEU 151 CO 0.02 0.00 -0.25 0.68 -1.11 0.00 0.00 177.39 176.73 1u8r s VAL 152 N 0.00 1.08 -0.10 1.96 -7.23 -0.16 -4.95 120.40 111.01 1u8r s VAL 152 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1u8r s VAL 152 Cb 0.00 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1u8r s VAL 152 CO 0.00 0.00 -0.15 -0.60 -0.31 0.00 0.00 175.10 174.04 1u8r s ARG 153 N -3.87 3.02 0.60 4.82 3.52 -1.26 -0.59 118.95 125.19 1u8r s ARG 153 Ca 0.06 -0.72 0.31 0.00 -0.13 0.00 0.00 55.73 55.25 1u8r s ARG 153 Cb 0.01 -2.49 1.07 0.00 -1.56 0.00 0.00 34.95 31.98 1u8r s ARG 153 CO 0.03 0.35 1.35 -0.07 -0.81 0.00 0.00 175.30 176.16 1u8r h LEU 154 N 6.23 0.00 -0.03 -0.88 3.38 -1.50 1.29 115.31 123.80 1u8r h LEU 154 Ca -0.32 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.41 1u8r h LEU 154 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1u8r h LEU 154 CO 0.53 0.00 -1.07 0.71 0.09 0.00 0.00 178.44 178.69 1u8r h THR 155 N 0.00 1.54 -0.03 0.22 1.35 -1.86 -3.18 112.91 110.94 1u8r h THR 155 Ca 0.58 -2.98 -0.01 0.00 -0.55 0.00 0.00 66.41 63.45 1u8r h THR 155 Cb 3.09 2.76 -0.00 0.00 -1.73 0.00 0.00 68.15 72.27 1u8r h THR 155 CO -0.01 0.87 0.01 -0.62 -0.25 0.00 0.00 175.52 175.52 1u8r n GLU 156 N -3.54 1.14 -4.03 4.72 1.02 0.44 -4.81 120.64 115.58 1u8r n GLU 156 Ca -0.05 -0.14 -0.35 0.00 -0.02 0.00 0.00 57.16 56.60 1u8r n GLU 156 Cb 0.94 -1.38 -0.11 0.00 -0.02 0.00 0.00 31.44 30.87 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 -0.13 3.55 0.50 -4.62 2.96 -1.20 -4.84 118.68 114.89 1u8r s LEU 157 Ca 0.02 -0.06 -0.24 0.00 -0.22 0.00 0.00 54.13 53.64 1u8r s LEU 157 Cb 0.02 -1.91 -0.07 0.00 0.50 0.00 0.00 46.19 44.74 1u8r s LEU 157 CO 0.01 0.11 1.40 -0.81 -1.32 0.00 0.00 176.35 175.73 1u8r n PRO 158 N 3.98 1.98 -2.06 0.98 -0.04 -1.26 -4.89 135.00 133.69 1u8r n PRO 158 Ca -0.17 0.71 -0.29 0.00 -0.04 0.00 0.00 63.50 63.72 1u8r n PRO 158 Cb 0.52 -2.60 0.17 0.00 -0.04 0.00 0.00 33.50 31.55 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 -1.24 2.53 0.00 0.55 0.00 -1.26 -4.69 121.76 117.66 1u8r s ALA 159 Ca 0.66 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1u8r s ALA 159 Cb -0.43 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1u8r s ALA 159 CO 0.53 -2.22 0.00 0.41 0.00 0.00 0.00 175.76 174.49 1u8r n GLY 160 N -3.57 1.25 3.87 0.00 0.00 -1.26 -5.00 105.19 100.48 1u8r n GLY 160 Ca 0.15 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 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 6.60 1.01 1.61 0.15 -1.26 -4.85 113.70 112.96 1u8r s SER 161 Ca 0.00 0.72 -0.19 0.00 0.70 0.00 0.00 55.95 57.18 1u8r s SER 161 Cb 0.00 -2.15 -0.05 0.00 -1.71 0.00 0.00 66.02 62.10 1u8r s SER 161 CO 0.00 0.28 -0.47 -2.65 1.20 0.00 0.00 173.24 171.60 1u8r n PRO 162 N 1.43 -0.44 -3.78 5.44 -0.02 -1.26 -4.93 135.00 131.44 1u8r n PRO 162 Ca -0.13 -0.11 -0.13 0.00 -2.02 0.00 0.00 63.50 61.11 1u8r n PRO 162 Cb 0.53 -1.38 -0.13 0.00 -0.02 0.00 0.00 33.50 32.49 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 -2.16 -0.02 -0.03 -1.45 1.01 -0.93 -4.96 120.40 111.86 1u8r s VAL 163 Ca 0.47 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 1u8r s VAL 163 Cb -0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1u8r s VAL 163 CO 0.71 0.03 0.76 0.00 0.00 0.00 0.00 175.10 176.61 1u8r s ALA 164 N 0.58 3.31 0.21 5.51 0.00 -1.26 -1.55 121.76 128.57 1u8r s ALA 164 Ca -0.04 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.06 1u8r s ALA 164 Cb -0.06 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1u8r s ALA 164 CO -0.03 -0.09 0.35 0.14 0.00 0.00 0.00 175.76 176.14 1u8r s VAL 165 N 0.65 0.02 -0.19 0.00 -7.23 0.34 -2.84 120.40 111.15 1u8r s VAL 165 Ca 0.40 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1u8r s VAL 165 Cb -0.19 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 34.63 1u8r s VAL 165 CO 0.21 -0.08 -0.14 0.54 -0.31 0.00 0.00 175.10 175.32 1u8r s VAL 166 N -4.03 1.84 -0.14 1.32 0.11 -0.85 -0.96 120.40 117.68 1u8r s VAL 166 Ca 0.24 -1.01 -0.36 0.00 -2.93 0.00 0.00 61.98 57.92 1u8r s VAL 166 Cb 0.02 -1.80 -0.13 0.00 -1.53 0.00 0.00 36.38 32.94 1u8r s VAL 166 CO 0.07 0.31 1.82 0.52 -3.33 0.00 0.00 175.10 174.49 1u8r n VAL 167 N 4.64 0.46 -0.08 2.04 0.31 -0.88 -2.34 118.33 122.49 1u8r n VAL 167 Ca -0.17 -0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 63.97 1u8r n VAL 167 Cb 0.48 -1.63 -0.07 0.00 -0.91 0.00 0.00 33.84 31.70 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 6.07 0.39 -4.00 5.55 5.12 -0.53 -0.28 116.66 128.97 1u8r n ARG 168 Ca 0.24 0.09 -0.10 0.00 -1.93 0.00 0.00 57.85 56.15 1u8r n ARG 168 Cb 0.24 -1.31 -0.11 0.00 -1.16 0.00 0.00 32.46 30.12 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 -2.31 0.36 -0.42 5.56 -0.21 -0.50 -4.42 119.66 117.72 1u8r s GLN 169 Ca -0.21 -0.67 0.02 0.00 0.02 0.00 0.00 55.36 54.52 1u8r s GLN 169 Cb 0.05 0.05 0.15 0.00 1.00 0.00 0.00 33.01 34.26 1u8r s GLN 169 CO 0.36 -0.04 0.27 -0.51 -2.12 0.00 0.00 175.29 173.25 1u8r s LEU 170 N -1.56 1.92 0.68 2.90 1.43 -0.99 -2.27 118.68 120.79 1u8r s LEU 170 Ca -0.14 -2.67 -0.17 0.00 -1.03 0.00 0.00 54.13 50.12 1u8r s LEU 170 Cb -0.09 -0.70 0.01 0.00 0.03 0.00 0.00 46.19 45.43 1u8r s LEU 170 CO -0.01 -0.24 1.28 0.35 0.23 0.00 0.00 176.35 177.96 1u8r n THR 171 N 3.43 4.50 -0.24 5.49 -2.24 -0.83 -4.67 114.28 119.74 1u8r n THR 171 Ca 0.16 -0.45 0.18 0.00 -2.27 0.00 0.00 64.05 61.67 1u8r n THR 171 Cb 0.39 -1.45 0.34 0.00 -2.10 0.00 0.00 70.33 67.50 1u8r n THR 171 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u8r n GLU 172 N -2.15 -0.05 -0.27 -0.78 -0.58 -1.26 -0.55 120.64 115.00 1u8r n GLU 172 Ca 0.16 1.03 0.07 0.00 -0.42 0.00 0.00 57.16 57.99 1u8r n GLU 172 Cb 0.48 -1.75 0.21 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.53 -0.26 -0.32 2.76 -1.91 -0.02 115.15 115.93 1u8r h HIS 173 Ca 0.54 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.58 1u8r h HIS 173 Cb 1.32 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 30.16 1u8r h HIS 173 CO -0.15 0.04 -0.51 -0.24 -1.30 0.00 0.00 177.93 175.77 1u8r h VAL 174 N 0.43 1.29 -0.12 5.26 3.04 -1.12 -2.45 116.25 122.59 1u8r h VAL 174 Ca 0.45 -1.71 0.03 0.00 -1.01 0.00 0.00 66.70 64.46 1u8r h VAL 174 Cb 0.72 1.63 -0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1u8r h VAL 174 CO -0.44 0.55 0.16 1.56 -1.01 0.00 0.00 177.57 178.39 1u8r h GLN 175 N 0.57 0.00 0.37 4.17 4.20 -1.03 -2.53 115.11 120.85 1u8r h GLN 175 Ca 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1u8r h GLN 175 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1u8r h GLN 175 CO 0.11 0.00 -0.18 0.78 -0.67 0.00 0.00 178.83 178.87 1u8r h GLY 176 N 0.00 -0.52 -7.24 3.46 0.00 -0.74 -3.36 103.07 94.66 1u8r h GLY 176 Ca 0.06 0.19 -0.38 0.00 0.00 0.00 0.00 47.33 47.21 1u8r h GLY 176 CO -0.00 -0.19 0.94 -0.35 0.00 0.00 0.00 176.54 176.94 1u8r s ASP 177 N -4.91 5.41 0.26 0.19 3.68 -0.95 -4.81 116.67 115.55 1u8r s ASP 177 Ca -0.15 -0.68 -0.02 0.00 2.13 0.00 0.00 52.55 53.83 1u8r s ASP 177 Cb 0.03 -2.56 0.44 0.00 -1.45 0.00 0.00 42.92 39.38 1u8r s ASP 177 CO 0.57 -2.47 1.86 -0.29 0.13 0.00 0.00 175.17 174.97 1u8r h ILE 178 N 7.10 1.01 -0.90 4.11 2.10 -1.81 -0.75 117.51 128.38 1u8r h ILE 178 Ca 0.06 -0.36 0.07 0.00 1.08 0.00 0.00 64.86 65.71 1u8r h ILE 178 Cb 1.03 -0.13 -0.07 0.00 -1.09 0.00 0.00 36.82 36.56 1u8r h ILE 178 CO 1.25 0.19 0.56 0.44 -1.08 0.00 0.00 178.15 179.52 1u8r h ASP 179 N 1.06 0.88 0.01 2.19 3.32 -1.95 -1.21 116.42 120.72 1u8r h ASP 179 Ca 0.44 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 57.29 1u8r h ASP 179 Cb 0.28 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 39.68 1u8r h ASP 179 CO -0.21 0.55 -0.85 0.25 -1.72 0.00 0.00 179.24 177.27 1u8r h LEU 180 N 1.01 0.73 -2.16 1.55 5.85 -1.70 -2.61 115.31 117.99 1u8r h LEU 180 Ca 0.40 -0.76 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1u8r h LEU 180 Cb 0.20 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1u8r h LEU 180 CO -0.18 1.39 -0.06 -0.29 -0.34 0.00 0.00 178.44 178.95 1u8r h ILE 181 N 0.14 0.40 0.04 4.05 6.09 -0.91 0.33 117.51 127.65 1u8r h ILE 181 Ca -0.11 -0.34 -0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1u8r h ILE 181 Cb 1.53 1.24 0.00 0.00 0.47 0.00 0.00 36.82 40.06 1u8r h ILE 181 CO 0.17 0.06 -0.02 0.74 -3.07 0.00 0.00 178.15 176.03 1u8r h THR 182 N 0.00 1.30 -0.75 2.19 2.02 -1.19 -2.91 112.91 113.57 1u8r h THR 182 Ca -0.00 -1.72 0.10 0.00 0.77 0.00 0.00 66.41 65.56 1u8r h THR 182 Cb 0.23 2.34 -0.07 0.00 -1.74 0.00 0.00 68.15 68.91 1u8r h THR 182 CO 0.01 0.40 0.38 0.03 0.37 0.00 0.00 175.52 176.71 1u8r h ARG 183 N -0.89 0.62 -0.54 6.66 3.08 -1.03 -0.07 114.38 122.21 1u8r h ARG 183 Ca -0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1u8r h ARG 183 Cb 0.69 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1u8r h ARG 183 CO 0.01 0.41 0.36 -0.07 -1.07 0.00 0.00 179.97 179.61 1u8r h LEU 184 N 0.64 0.57 -0.13 3.04 3.38 -1.02 0.12 115.31 121.91 1u8r h LEU 184 Ca 0.37 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 1u8r h LEU 184 Cb 0.41 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1u8r h LEU 184 CO -0.28 0.40 -0.17 0.50 0.09 0.00 0.00 178.44 178.98 1u8r h LYS 185 N 0.66 0.34 -0.79 1.13 3.64 -0.85 0.52 116.57 121.22 1u8r h LYS 185 Ca 0.21 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1u8r h LYS 185 Cb 0.03 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1u8r h LYS 185 CO -0.05 0.77 0.52 -0.44 -2.27 0.00 0.00 179.45 177.98 1u8r h ASP 186 N -0.06 0.84 -0.27 4.20 3.45 -0.51 -0.01 116.42 124.05 1u8r h ASP 186 Ca 0.01 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1u8r h ASP 186 Cb 0.73 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1u8r h ASP 186 CO 0.04 0.57 0.00 0.00 -1.57 0.00 0.00 179.24 178.29 1u8r n ALA 187 N -2.42 2.52 -0.39 3.45 0.00 -0.04 -4.91 120.51 118.73 1u8r n ALA 187 Ca 0.10 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1u8r n ALA 187 Cb 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.86 0.83 3.56 0.00 0.00 -0.02 -4.86 105.19 105.57 1u8r n GLY 188 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.11 3.18 0.27 1.61 1.01 0.13 -4.83 120.40 119.66 1u8r s VAL 189 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1u8r s VAL 189 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1u8r s VAL 189 CO 0.00 -0.37 0.35 0.68 0.00 0.00 0.00 175.10 175.76 1u8r s VAL 190 N 13.40 0.00 0.23 2.92 -7.23 -1.26 -4.54 120.40 123.92 1u8r s VAL 190 Ca 0.83 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 59.00 1u8r s VAL 190 Cb -0.09 -2.45 -0.16 0.00 0.56 0.00 0.00 36.38 34.24 1u8r s VAL 190 CO 0.07 0.00 0.88 -2.65 -0.31 0.00 0.00 175.10 173.08 1u8r n PRO 191 N -0.42 0.82 -3.26 4.82 -0.02 -1.26 -2.95 135.00 132.73 1u8r n PRO 191 Ca 0.01 0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.65 1u8r n PRO 191 Cb 0.63 -1.57 0.05 0.00 -0.02 0.00 0.00 33.50 32.59 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 1.62 -6.77 -3.64 2.55 3.02 0.62 -4.98 115.26 107.68 1u8r n ASN 192 Ca 0.14 -0.58 -0.18 0.00 -0.03 0.00 0.00 54.58 53.93 1u8r n ASN 192 Cb 0.27 -4.95 -0.15 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 -3.28 -0.12 0.01 5.41 0.00 -1.15 -4.96 121.76 117.66 1u8r s ALA 193 Ca 0.33 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1u8r s ALA 193 Cb -0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1u8r s ALA 193 CO 0.76 -0.68 1.17 1.03 0.00 0.00 0.00 175.76 178.04 1u8r s ARG 194 N 2.28 4.42 0.20 0.00 0.52 -1.26 -2.07 118.95 123.05 1u8r s ARG 194 Ca 0.04 1.69 -0.20 0.00 -0.52 0.00 0.00 55.73 56.73 1u8r s ARG 194 Cb -0.13 -3.43 0.04 0.00 0.52 0.00 0.00 34.95 31.95 1u8r s ARG 194 CO -0.07 -0.29 0.60 0.54 0.02 0.00 0.00 175.30 176.10 1u8r s VAL 195 N 1.43 0.01 0.04 3.52 0.11 -0.13 -4.80 120.40 120.58 1u8r s VAL 195 Ca 0.57 -0.55 0.07 0.00 -2.93 0.00 0.00 61.98 59.14 1u8r s VAL 195 Cb -0.27 -1.46 -0.03 0.00 -1.53 0.00 0.00 36.38 33.09 1u8r s VAL 195 CO 0.27 -0.05 -0.17 0.42 -3.33 0.00 0.00 175.10 172.24 1u8r s THR 196 N -3.84 2.90 -0.01 5.04 -4.23 -1.12 -0.50 115.64 113.88 1u8r s THR 196 Ca 0.07 -1.16 0.04 0.00 -1.18 0.00 0.00 61.69 59.46 1u8r s THR 196 Cb -0.02 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 1u8r s THR 196 CO -0.04 0.33 -0.12 0.68 -0.54 0.00 0.00 174.62 174.92 1u8r s VAL 197 N -0.95 0.96 -0.03 2.29 -7.23 -0.60 0.60 120.40 115.44 1u8r s VAL 197 Ca 0.15 -0.53 0.02 0.00 -1.81 0.00 0.00 61.98 59.81 1u8r s VAL 197 Cb -0.11 -0.80 0.01 0.00 0.56 0.00 0.00 36.38 36.04 1u8r s VAL 197 CO 0.06 0.27 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.35 1u8r s GLU 198 N -0.30 0.83 -0.01 4.82 2.12 -0.35 -2.20 118.70 123.61 1u8r s GLU 198 Ca 0.05 -0.21 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 1u8r s GLU 198 Cb -0.05 -0.80 -0.07 0.00 0.26 0.00 0.00 34.13 33.48 1u8r s GLU 198 CO -0.00 0.04 1.72 0.99 -0.54 0.00 0.00 175.26 177.46 1u8r s THR 199 N 0.42 3.38 0.79 -1.70 2.01 -1.26 -1.09 115.64 118.19 1u8r s THR 199 Ca -0.06 0.53 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 1u8r s THR 199 Cb -0.10 -3.34 0.07 0.00 0.01 0.00 0.00 72.50 69.14 1u8r s THR 199 CO 0.00 -0.04 1.14 0.28 -0.69 0.00 0.00 174.62 175.32 1u8r s THR 200 N 3.90 2.56 0.11 -0.82 -1.32 -0.93 -4.71 115.64 114.43 1u8r s THR 200 Ca 0.77 0.18 -0.22 0.00 -1.21 0.00 0.00 61.69 61.21 1u8r s THR 200 Cb -0.36 -3.12 -0.09 0.00 -1.51 0.00 0.00 72.50 67.42 1u8r s THR 200 CO 0.33 -0.24 1.72 -0.65 -2.21 0.00 0.00 174.62 173.56 1u8r h PRO 201 N -1.00 -0.05 -2.63 7.08 0.11 -1.95 -3.18 132.00 130.38 1u8r h PRO 201 Ca -0.46 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.22 1u8r h PRO 201 Cb 1.30 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1u8r h PRO 201 CO 0.64 -0.03 1.93 0.41 -0.21 0.00 0.00 178.00 180.74 1u8r n GLY 202 N -1.16 3.54 2.58 -0.55 0.00 -1.26 -4.67 105.19 103.66 1u8r n GLY 202 Ca -0.05 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 3.14 0.00 0.00 -0.02 0.00 -1.20 -4.52 105.19 102.59 1u8r n GLY 203 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.21 -0.75 3.37 -0.02 0.00 -1.26 -4.20 105.19 102.54 1u8r n GLY 204 Ca 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.24 -0.00 -0.18 1.61 1.01 -0.57 -2.19 120.40 119.85 1u8r s VAL 205 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1u8r s VAL 205 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1u8r s VAL 205 CO 0.00 0.00 -0.13 -0.89 0.00 0.00 0.00 175.10 174.08 1u8r s THR 206 N 0.28 2.79 -0.21 3.92 2.01 -0.25 -0.30 115.64 123.88 1u8r s THR 206 Ca -0.00 -0.71 -0.13 0.00 0.31 0.00 0.00 61.69 61.16 1u8r s THR 206 Cb -0.03 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1u8r s THR 206 CO 0.00 0.49 0.27 -0.63 -0.69 0.00 0.00 174.62 174.07 1u8r s ILE 207 N 1.10 5.29 -0.42 1.82 1.01 0.96 -1.21 121.20 129.74 1u8r s ILE 207 Ca 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 60.65 61.02 1u8r s ILE 207 Cb -0.14 -3.61 0.09 0.00 0.01 0.00 0.00 42.46 38.80 1u8r s ILE 207 CO -0.04 0.32 0.26 -0.69 0.00 0.00 0.00 174.94 174.79 1u8r s VAL 208 N 1.05 4.08 -0.31 2.92 1.01 0.20 -1.94 120.40 127.41 1u8r s VAL 208 Ca 0.14 -1.55 -0.16 0.00 0.00 0.00 0.00 61.98 60.41 1u8r s VAL 208 Cb -0.14 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1u8r s VAL 208 CO 0.05 -0.57 0.40 -0.63 0.00 0.00 0.00 175.10 174.35 1u8r s ILE 209 N 1.38 5.14 -0.43 2.22 1.09 -1.26 -2.77 121.20 126.56 1u8r s ILE 209 Ca 0.04 0.37 -0.27 0.00 -1.10 0.00 0.00 60.65 59.69 1u8r s ILE 209 Cb -0.24 -3.79 -0.07 0.00 -1.06 0.00 0.00 42.46 37.31 1u8r s ILE 209 CO 0.01 0.01 2.37 -0.81 -0.10 0.00 0.00 174.94 176.42 1u8r n PRO 210 N 5.43 1.26 0.00 2.79 -0.04 -1.26 -1.95 135.00 141.22 1u8r n PRO 210 Ca -0.08 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1u8r n PRO 210 Cb 0.50 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 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 5.97 3.22 3.73 0.55 0.00 -1.26 -5.10 105.19 112.29 1u8r n GLY 211 Ca 0.36 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 2.80 0.91 1.61 3.76 -0.82 -5.10 115.29 118.45 1u8r s HIS 212 Ca 0.00 -0.26 -0.15 0.00 -0.15 0.00 0.00 55.06 54.50 1u8r s HIS 212 Cb 0.00 -1.43 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 1u8r s HIS 212 CO 0.00 0.47 -0.03 0.39 -0.85 0.00 0.00 174.74 174.72 1u8r n GLU 213 N -1.07 -0.09 -1.72 1.40 -0.58 -1.26 -4.37 120.64 112.95 1u8r n GLU 213 Ca -0.05 -0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.38 1u8r n GLU 213 Cb 0.60 -1.51 0.05 0.00 -0.57 0.00 0.00 31.44 30.01 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 -1.53 5.39 -0.03 1.62 0.01 -1.26 -4.55 114.94 114.59 1u8r s ASN 214 Ca 0.52 1.37 -0.01 0.00 -0.71 0.00 0.00 52.86 54.04 1u8r s ASN 214 Cb -0.23 -2.24 0.03 0.00 0.41 0.00 0.00 41.25 39.22 1u8r s ASN 214 CO 0.72 -1.40 0.04 0.54 -1.51 0.00 0.00 177.10 175.48 1u8r s VAL 215 N -3.18 -0.07 -0.11 1.60 0.11 -0.82 -5.01 120.40 112.91 1u8r s VAL 215 Ca 0.58 0.29 -0.00 0.00 -2.93 0.00 0.00 61.98 59.92 1u8r s VAL 215 Cb -0.13 -0.12 -0.02 0.00 -1.53 0.00 0.00 36.38 34.59 1u8r s VAL 215 CO 0.54 0.13 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.44 1u8r s THR 216 N 1.50 3.32 -0.10 5.04 2.01 -1.26 -0.03 115.64 126.11 1u8r s THR 216 Ca -0.04 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.37 1u8r s THR 216 Cb -0.13 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1u8r s THR 216 CO -0.03 0.54 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.62 1u8r s LEU 217 N -0.00 3.21 0.90 4.42 1.43 0.59 -4.98 118.68 124.25 1u8r s LEU 217 Ca -0.02 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 1u8r s LEU 217 Cb -0.14 -1.73 0.13 0.00 0.03 0.00 0.00 46.19 44.49 1u8r s LEU 217 CO 0.04 0.29 1.09 -2.84 0.23 0.00 0.00 176.35 175.16 1u8r s PRO 218 N -0.39 1.17 0.28 1.29 0.02 -1.26 -1.51 135.00 134.61 1u8r s PRO 218 Ca 0.06 1.02 0.02 0.00 0.02 0.00 0.00 61.00 62.12 1u8r s PRO 218 Cb -0.12 -1.78 0.64 0.00 0.02 0.00 0.00 34.50 33.25 1u8r s PRO 218 CO 0.02 -2.36 1.74 1.25 -0.33 0.00 0.00 177.00 177.33 1u8r h HIS 219 N -1.64 0.78 0.31 6.54 -0.00 -1.80 -1.44 115.15 117.90 1u8r h HIS 219 Ca -0.48 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 59.91 1u8r h HIS 219 Cb 1.28 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 1u8r h HIS 219 CO 0.45 0.11 -0.15 1.05 -0.00 0.00 0.00 177.93 179.39 1u8r h GLU 220 N 0.56 -0.41 -0.95 5.26 4.11 -1.91 -2.40 114.58 118.86 1u8r h GLU 220 Ca 0.52 0.03 0.04 0.00 0.07 0.00 0.00 59.36 60.02 1u8r h GLU 220 Cb 0.85 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.13 1u8r h GLU 220 CO -0.42 -0.23 0.62 0.52 0.07 0.00 0.00 179.01 179.56 1u8r h MET 221 N -0.48 1.14 -0.64 1.06 2.86 -1.82 -1.77 114.93 115.28 1u8r h MET 221 Ca -0.04 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1u8r h MET 221 Cb 0.36 -0.26 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1u8r h MET 221 CO 0.07 0.76 0.36 0.00 1.06 0.00 0.00 176.91 179.16 1u8r h ALA 222 N 1.45 0.85 -0.37 6.32 0.00 -1.10 0.19 119.26 126.60 1u8r h ALA 222 Ca 0.38 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.41 1u8r h ALA 222 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1u8r h ALA 222 CO -0.12 0.06 0.56 0.45 0.00 0.00 0.00 179.25 180.19 1u8r h HIS 223 N 0.69 0.00 -0.52 0.00 -0.00 -0.80 0.13 115.15 114.64 1u8r h HIS 223 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 1u8r h HIS 223 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 1u8r h HIS 223 CO -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.86 1u8r n ALA 224 N -2.16 2.97 -3.79 2.45 0.00 0.66 -4.69 120.51 115.94 1u8r n ALA 224 Ca 0.07 -1.24 -0.28 0.00 0.00 0.00 0.00 53.44 51.99 1u8r n ALA 224 Cb 0.71 -1.02 -0.17 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.77 1.33 -0.10 0.00 1.01 0.03 -1.96 120.40 118.95 1u8r s VAL 225 Ca 0.40 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1u8r s VAL 225 Cb 0.26 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1u8r s VAL 225 CO 0.20 0.41 0.00 -0.54 0.00 0.00 0.00 175.10 175.17 1u8r s LYS 226 N 1.27 3.09 0.31 2.72 1.02 -0.96 -1.75 119.74 125.43 1u8r s LYS 226 Ca -0.02 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 55.59 1u8r s LYS 226 Cb -0.14 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1u8r s LYS 226 CO -0.05 0.65 0.15 0.14 -0.92 0.00 0.00 175.35 175.32 1u8r s VAL 227 N -0.72 0.37 -0.16 3.17 -7.23 0.24 -1.40 120.40 114.67 1u8r s VAL 227 Ca 0.11 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.29 1u8r s VAL 227 Cb -0.12 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1u8r s VAL 227 CO 0.02 0.00 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.94 1u8r s GLU 228 N -3.82 2.61 -0.45 4.82 2.12 -0.99 -0.98 118.70 122.00 1u8r s GLU 228 Ca 0.35 -0.68 -0.27 0.00 0.36 0.00 0.00 54.97 54.74 1u8r s GLU 228 Cb 0.05 -2.31 -0.06 0.00 0.26 0.00 0.00 34.13 32.07 1u8r s GLU 228 CO 0.17 -0.22 2.29 0.15 -0.54 0.00 0.00 175.26 177.11 1u8r s LYS 229 N 1.38 2.39 0.00 4.30 1.02 -1.26 -2.01 119.74 125.56 1u8r s LYS 229 Ca 0.05 1.43 0.00 0.00 0.02 0.00 0.00 55.97 57.47 1u8r s LYS 229 Cb -0.13 -4.51 0.00 0.00 -0.52 0.00 0.00 37.83 32.67 1u8r s LYS 229 CO -0.11 -2.95 0.00 0.28 -0.92 0.00 0.00 175.35 171.64