#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 -0.05 3.17 2.85 -1.26 -4.97 115.26 115.00 1u8r n ASN 2 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1u8r n ASN 2 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 1u8r n ASN 2 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1u8r h GLU 3 N 0.00 -0.44 0.00 1.20 4.57 -2.04 -2.03 114.58 115.84 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 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1u8r h GLU 3 CO 0.00 -0.29 -0.21 -0.07 -1.18 0.00 0.00 179.01 177.26 1u8r h LEU 4 N -0.46 0.00 0.00 1.64 3.38 -1.98 -3.47 115.31 114.43 1u8r h LEU 4 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1u8r h LEU 4 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1u8r h LEU 4 CO -0.48 0.21 0.00 0.52 0.09 0.00 0.00 178.44 178.78 1u8r n VAL 5 N -3.24 0.00 -3.46 1.22 0.31 -0.77 -4.72 118.33 107.67 1u8r n VAL 5 Ca 0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.15 1u8r n VAL 5 Cb 0.51 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.32 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 1.84 0.10 4.52 3.68 -1.26 -4.86 116.67 120.69 1u8r s ASP 6 Ca 0.00 -0.62 -0.33 0.00 2.13 0.00 0.00 52.55 53.73 1u8r s ASP 6 Cb 0.00 0.33 -0.13 0.00 -1.45 0.00 0.00 42.92 41.67 1u8r s ASP 6 CO 0.00 -0.37 1.58 0.74 0.13 0.00 0.00 175.17 177.25 1u8r h THR 7 N 6.31 0.13 -0.32 1.71 2.02 -2.00 -2.35 112.91 118.41 1u8r h THR 7 Ca -0.16 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.09 1u8r h THR 7 Cb 1.10 0.13 -0.08 0.00 -1.74 0.00 0.00 68.15 67.55 1u8r h THR 7 CO 0.33 0.00 -0.37 0.74 0.37 0.00 0.00 175.52 176.59 1u8r h THR 8 N -0.77 0.19 -0.35 3.16 2.02 -1.97 -0.68 112.91 114.49 1u8r h THR 8 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1u8r h THR 8 Cb 0.74 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 1u8r h THR 8 CO -0.16 0.00 0.02 -0.33 0.37 0.00 0.00 175.52 175.42 1u8r h GLU 9 N -0.33 0.12 -0.23 6.66 5.08 -1.97 -0.60 114.58 123.30 1u8r h GLU 9 Ca 0.14 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1u8r h GLU 9 Cb 0.57 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1u8r h GLU 9 CO -0.50 0.08 0.05 0.52 -1.00 0.00 0.00 179.01 178.16 1u8r h MET 10 N 0.12 0.32 -0.29 2.33 2.86 -0.84 0.13 114.93 119.57 1u8r h MET 10 Ca 0.17 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1u8r h MET 10 Cb 0.23 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1u8r h MET 10 CO -0.27 0.31 -0.06 1.88 1.06 0.00 0.00 176.91 179.82 1u8r h TYR 11 N 0.32 0.62 0.14 -0.22 -1.99 -0.38 -1.16 116.97 114.30 1u8r h TYR 11 Ca 0.08 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 1u8r h TYR 11 Cb 0.14 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1u8r h TYR 11 CO 0.00 0.75 -0.11 -0.07 -0.00 0.00 0.00 178.16 178.73 1u8r h LEU 12 N 0.32 -0.28 -1.61 3.88 3.38 -0.16 -1.74 115.31 119.10 1u8r h LEU 12 Ca 0.07 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1u8r h LEU 12 Cb 0.54 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1u8r h LEU 12 CO 0.03 -0.17 -0.03 -0.09 0.09 0.00 0.00 178.44 178.27 1u8r h ARG 13 N -0.26 0.21 -0.52 1.13 2.43 -0.75 -1.00 114.38 115.62 1u8r h ARG 13 Ca -0.00 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1u8r h ARG 13 Cb 0.23 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1u8r h ARG 13 CO -0.01 0.26 -0.01 1.15 -1.51 0.00 0.00 179.97 179.85 1u8r h THR 14 N 0.20 1.26 -0.10 0.20 2.02 -0.81 0.31 112.91 115.99 1u8r h THR 14 Ca 0.05 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 66.13 1u8r h THR 14 Cb 0.19 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1u8r h THR 14 CO 0.01 0.39 0.02 0.40 0.37 0.00 0.00 175.52 176.70 1u8r h ILE 15 N 0.79 0.95 0.10 3.11 1.08 -0.47 -0.10 117.51 122.97 1u8r h ILE 15 Ca 0.15 -0.02 0.01 0.00 -0.39 0.00 0.00 64.86 64.61 1u8r h ILE 15 Cb 0.54 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 1u8r h ILE 15 CO 0.03 0.01 -0.18 0.22 -0.69 0.00 0.00 178.15 177.54 1u8r h TYR 16 N 0.06 -0.46 -0.65 1.37 5.03 -0.88 -2.31 116.97 119.14 1u8r h TYR 16 Ca 0.05 0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.48 1u8r h TYR 16 Cb 0.04 0.19 -0.08 0.00 1.55 0.00 0.00 36.73 38.43 1u8r h TYR 16 CO -0.12 -0.26 0.20 -0.44 -1.32 0.00 0.00 178.16 176.23 1u8r h ASP 17 N -0.34 0.14 -0.79 -2.11 3.32 -0.03 -0.65 116.42 115.96 1u8r h ASP 17 Ca 0.03 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1u8r h ASP 17 Cb 0.36 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1u8r h ASP 17 CO -0.10 0.07 0.49 -0.07 -1.72 0.00 0.00 179.24 177.91 1u8r h LEU 18 N 0.35 0.78 -0.55 1.55 3.38 -0.63 -0.52 115.31 119.67 1u8r h LEU 18 Ca 0.34 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 1u8r h LEU 18 Cb 0.49 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1u8r h LEU 18 CO -0.38 0.51 0.19 -0.33 0.09 0.00 0.00 178.44 178.53 1u8r h GLU 19 N 0.91 0.84 -0.17 1.13 5.08 -0.69 -1.03 114.58 120.66 1u8r h GLU 19 Ca 0.33 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1u8r h GLU 19 Cb 0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1u8r h GLU 19 CO -0.15 0.76 0.11 1.49 -1.00 0.00 0.00 179.01 180.22 1u8r h GLU 20 N 0.76 0.22 0.00 2.33 4.81 -0.39 -0.32 114.58 121.99 1u8r h GLU 20 Ca 0.18 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1u8r h GLU 20 Cb 0.25 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1u8r h GLU 20 CO -0.01 0.14 -0.35 0.39 -0.73 0.00 0.00 179.01 178.45 1u8r n GLU 21 N -4.51 0.06 -1.35 1.92 1.02 -0.28 -4.94 120.64 112.56 1u8r n GLU 21 Ca -0.00 0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.14 1u8r n GLU 21 Cb 0.08 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 29.95 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 0.48 3.70 0.62 0.00 -0.13 -4.68 105.19 106.64 1u8r n GLY 22 Ca 0.06 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 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 4.02 -0.04 1.61 -7.23 -0.61 -5.02 120.40 111.03 1u8r s VAL 23 Ca 0.00 -1.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.73 1u8r s VAL 23 Cb 0.00 -2.97 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 1u8r s VAL 23 CO 0.00 0.01 1.52 -0.89 -0.31 0.00 0.00 175.10 175.43 1u8r s THR 24 N -1.52 3.66 -1.15 5.32 2.01 -1.26 -4.26 115.64 118.44 1u8r s THR 24 Ca 0.27 0.92 -0.24 0.00 0.31 0.00 0.00 61.69 62.95 1u8r s THR 24 Cb -0.11 -3.59 -0.15 0.00 0.01 0.00 0.00 72.50 68.67 1u8r s THR 24 CO 0.19 -0.05 2.01 -2.84 -0.69 0.00 0.00 174.62 173.25 1u8r s PRO 25 N 3.30 1.94 0.25 4.92 0.02 -1.26 -4.94 135.00 139.23 1u8r s PRO 25 Ca 0.68 -0.87 0.04 0.00 0.02 0.00 0.00 61.00 60.87 1u8r s PRO 25 Cb -0.32 -5.14 -0.03 0.00 0.02 0.00 0.00 34.50 29.04 1u8r s PRO 25 CO 0.27 -4.64 0.39 -0.51 -0.33 0.00 0.00 177.00 172.18 1u8r s LEU 26 N 13.58 4.28 0.20 -5.54 1.43 -1.26 0.52 118.68 131.88 1u8r s LEU 26 Ca 0.74 0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.87 1u8r s LEU 26 Cb -0.02 -2.92 0.12 0.00 0.03 0.00 0.00 46.19 43.39 1u8r s LEU 26 CO 0.15 -0.10 1.74 0.03 0.23 0.00 0.00 176.35 178.40 1u8r h ARG 27 N 1.12 1.08 -0.98 1.70 3.08 -1.93 -2.23 114.38 116.23 1u8r h ARG 27 Ca -0.52 -0.22 0.22 0.00 0.07 0.00 0.00 59.98 59.54 1u8r h ARG 27 Cb 1.23 -0.16 -0.09 0.00 0.08 0.00 0.00 29.97 31.03 1u8r h ARG 27 CO 0.61 0.92 0.63 0.00 -1.07 0.00 0.00 179.97 181.06 1u8r h ALA 28 N 1.12 2.08 0.28 0.04 0.00 -1.97 0.30 119.26 121.11 1u8r h ALA 28 Ca 0.23 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1u8r h ALA 28 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1u8r h ALA 28 CO -0.01 -0.43 -0.13 0.00 0.00 0.00 0.00 179.25 178.67 1u8r h ARG 29 N 0.49 -0.36 -0.67 0.00 2.47 -1.76 -2.41 114.38 112.14 1u8r h ARG 29 Ca 0.54 0.02 0.13 0.00 -1.26 0.00 0.00 59.98 59.42 1u8r h ARG 29 Cb 1.23 0.08 -0.09 0.00 -1.65 0.00 0.00 29.97 29.53 1u8r h ARG 29 CO -0.27 -0.19 0.18 0.82 0.56 0.00 0.00 179.97 181.07 1u8r h ILE 30 N -0.44 0.61 -0.64 2.04 2.04 -0.93 -0.03 117.51 120.17 1u8r h ILE 30 Ca -0.04 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.72 1u8r h ILE 30 Cb 0.33 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1u8r h ILE 30 CO 0.06 0.06 0.42 0.00 0.00 0.00 0.00 178.15 178.69 1u8r h ALA 31 N 1.53 0.81 0.72 1.87 0.00 -1.18 0.11 119.26 123.12 1u8r h ALA 31 Ca 0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1u8r h ALA 31 Cb 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1u8r h ALA 31 CO -0.43 0.24 -0.39 0.93 0.00 0.00 0.00 179.25 179.60 1u8r h GLU 32 N 0.86 -1.00 -0.79 0.00 5.08 -0.57 0.58 114.58 118.75 1u8r h GLU 32 Ca 0.23 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1u8r h GLU 32 Cb -0.09 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1u8r h GLU 32 CO -0.05 -0.66 0.52 0.00 -1.00 0.00 0.00 179.01 177.82 1u8r h ARG 33 N -1.03 1.01 -0.38 2.33 3.08 -0.89 -2.57 114.38 115.93 1u8r h ARG 33 Ca -0.10 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1u8r h ARG 33 Cb 0.81 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1u8r h ARG 33 CO 0.13 0.67 0.00 1.28 -1.07 0.00 0.00 179.97 180.98 1u8r n LEU 34 N -4.42 3.40 -3.70 3.04 4.77 0.37 -4.99 117.00 115.47 1u8r n LEU 34 Ca 0.09 -1.46 -0.31 0.00 -0.03 0.00 0.00 56.01 54.30 1u8r n LEU 34 Cb 0.05 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1u8r n LEU 34 CO 0.36 0.73 -0.07 -0.67 -1.33 0.00 0.00 177.39 176.41 1u8r n ASP 35 N 1.46 -5.32 -4.06 -1.43 -0.08 0.15 -5.01 116.55 102.26 1u8r n ASP 35 Ca 0.19 -1.00 -0.13 0.00 -1.51 0.00 0.00 54.79 52.35 1u8r n ASP 35 Cb 0.60 -3.18 -0.11 0.00 2.34 0.00 0.00 41.12 40.77 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 -5.92 0.53 0.85 -0.67 -0.21 -0.95 -5.06 119.66 108.24 1u8r s GLN 36 Ca 0.43 -0.78 -0.11 0.00 0.02 0.00 0.00 55.36 54.92 1u8r s GLN 36 Cb -0.16 -0.27 0.11 0.00 1.00 0.00 0.00 33.01 33.69 1u8r s GLN 36 CO 0.87 0.04 1.13 -1.54 -2.12 0.00 0.00 175.29 173.67 1u8r s SER 37 N -1.66 3.57 0.13 5.90 1.04 -1.26 -4.57 113.70 116.85 1u8r s SER 37 Ca -0.09 2.07 -0.19 0.00 0.48 0.00 0.00 55.95 58.22 1u8r s SER 37 Cb -0.09 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.45 1u8r s SER 37 CO 0.00 -2.67 1.72 1.23 0.98 0.00 0.00 173.24 174.50 1u8r h GLY 38 N -1.50 0.20 0.62 7.32 0.00 -1.98 -1.85 103.07 105.88 1u8r h GLY 38 Ca -0.44 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.00 1u8r h GLY 38 CO 0.46 -0.04 0.53 -2.55 0.00 0.00 0.00 176.54 174.93 1u8r h PRO 39 N 0.07 0.89 0.97 4.80 0.11 -1.99 -1.64 132.00 135.21 1u8r h PRO 39 Ca 0.10 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 1u8r h PRO 39 Cb 0.12 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.04 1u8r h PRO 39 CO -0.17 0.59 -0.47 1.15 -0.21 0.00 0.00 178.00 178.89 1u8r h THR 40 N 0.91 0.00 -0.73 -1.15 2.02 -1.77 -0.67 112.91 111.53 1u8r h THR 40 Ca 0.40 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 67.67 1u8r h THR 40 Cb 0.28 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.64 1u8r h THR 40 CO -0.21 0.00 0.48 -0.37 0.37 0.00 0.00 175.52 175.79 1u8r h VAL 41 N -1.33 0.91 0.76 3.16 -1.51 -1.19 -0.76 116.25 116.30 1u8r h VAL 41 Ca -0.13 -0.21 -0.04 0.00 -1.23 0.00 0.00 66.70 65.09 1u8r h VAL 41 Cb 1.00 0.26 0.01 0.00 -2.13 0.00 0.00 31.29 30.43 1u8r h VAL 41 CO 0.22 0.11 -0.36 0.28 -1.23 0.00 0.00 177.57 176.59 1u8r h SER 42 N 0.60 -0.86 -0.78 4.19 0.02 -1.09 0.31 113.55 115.95 1u8r h SER 42 Ca 0.34 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.43 1u8r h SER 42 Cb 0.52 0.22 -0.09 0.00 0.14 0.00 0.00 62.40 63.20 1u8r h SER 42 CO -0.12 -0.52 0.36 -0.61 -1.14 0.00 0.00 176.83 174.80 1u8r h GLN 43 N -1.18 0.53 -0.31 3.45 4.15 -0.72 -0.61 115.11 120.41 1u8r h GLN 43 Ca -0.10 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.19 1u8r h GLN 43 Cb 0.80 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 1u8r h GLN 43 CO 0.17 0.35 -0.20 1.15 -1.93 0.00 0.00 178.83 178.37 1u8r h THR 44 N 0.55 1.26 0.09 2.39 2.02 -1.06 -2.21 112.91 115.94 1u8r h THR 44 Ca 0.41 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1u8r h THR 44 Cb 0.57 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1u8r h THR 44 CO -0.35 0.40 -0.06 0.58 0.37 0.00 0.00 175.52 176.45 1u8r h VAL 45 N 0.52 0.87 -0.24 3.16 2.07 0.54 -1.85 116.25 121.33 1u8r h VAL 45 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1u8r h VAL 45 Cb 0.64 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1u8r h VAL 45 CO 0.05 0.00 -0.53 0.28 0.02 0.00 0.00 177.57 177.39 1u8r h SER 46 N -0.15 -1.71 -0.99 0.57 0.02 -0.83 0.68 113.55 111.14 1u8r h SER 46 Ca -0.01 0.21 0.29 0.00 -0.84 0.00 0.00 61.79 61.44 1u8r h SER 46 Cb 0.13 0.68 -0.14 0.00 0.14 0.00 0.00 62.40 63.21 1u8r h SER 46 CO 0.00 -0.43 0.55 0.03 -1.14 0.00 0.00 176.83 175.84 1u8r h ARG 47 N -0.49 0.39 -0.43 3.45 3.08 -1.27 0.65 114.38 119.77 1u8r h ARG 47 Ca 0.05 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1u8r h ARG 47 Cb 0.62 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1u8r h ARG 47 CO -0.48 0.26 -0.04 0.52 -1.07 0.00 0.00 179.97 179.16 1u8r h MET 48 N 0.40 0.79 0.24 0.04 2.86 0.94 -2.14 114.93 118.07 1u8r h MET 48 Ca 0.69 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 58.05 1u8r h MET 48 Cb 1.47 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.07 1u8r h MET 48 CO -0.57 0.87 -0.12 1.49 1.06 0.00 0.00 176.91 179.65 1u8r h GLU 49 N 0.62 -0.32 -0.58 1.72 4.81 0.37 -1.59 114.58 119.62 1u8r h GLU 49 Ca 0.12 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.54 1u8r h GLU 49 Cb 0.54 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1u8r h GLU 49 CO 0.03 -0.06 0.68 -0.09 -0.73 0.00 0.00 179.01 178.84 1u8r h ARG 50 N -0.54 0.00 -0.48 1.92 2.43 0.15 1.04 114.38 118.89 1u8r h ARG 50 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1u8r h ARG 50 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1u8r h ARG 50 CO 0.06 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.27 1u8r n ASP 51 N -3.51 4.56 -3.71 -3.80 8.00 -0.77 -4.97 116.55 112.36 1u8r n ASP 51 Ca 0.12 -2.69 -0.23 0.00 0.71 0.00 0.00 54.79 52.69 1u8r n ASP 51 Cb 0.89 -0.56 0.03 0.00 -0.02 0.00 0.00 41.12 41.46 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 0.45 -0.46 0.01 0.44 0.00 0.36 -4.90 105.19 101.09 1u8r n GLY 52 Ca 0.23 0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.50 1u8r n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u8r n LEU 53 N -4.20 0.00 -3.68 0.99 4.77 -0.67 -4.33 117.00 109.87 1u8r n LEU 53 Ca -0.25 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.65 1u8r n LEU 53 Cb 0.66 0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.78 1u8r n LEU 53 CO 0.69 0.05 0.52 -1.48 -1.33 0.00 0.00 177.39 175.84 1u8r s LEU 54 N -3.93 -0.34 -0.00 2.23 0.05 -1.25 -1.69 118.68 113.74 1u8r s LEU 54 Ca -0.04 -0.34 0.02 0.00 0.05 0.00 0.00 54.13 53.81 1u8r s LEU 54 Cb 0.06 2.51 -0.00 0.00 -2.05 0.00 0.00 46.19 46.71 1u8r s LEU 54 CO 0.42 -1.09 -0.05 -0.13 -0.55 0.00 0.00 176.35 174.95 1u8r s ARG 55 N -3.67 0.43 -0.43 1.48 0.52 0.67 -4.20 118.95 113.75 1u8r s ARG 55 Ca 0.08 -0.19 -0.20 0.00 -0.52 0.00 0.00 55.73 54.91 1u8r s ARG 55 Cb -0.03 -0.41 0.02 0.00 0.52 0.00 0.00 34.95 35.05 1u8r s ARG 55 CO -0.01 0.11 0.58 0.08 0.02 0.00 0.00 175.30 176.08 1u8r s VAL 56 N -0.12 4.91 0.47 3.52 1.01 -1.26 -0.92 120.40 128.01 1u8r s VAL 56 Ca 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 1u8r s VAL 56 Cb -0.02 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.34 1u8r s VAL 56 CO -0.00 -0.52 0.38 0.00 0.00 0.00 0.00 175.10 174.96 1u8r n ALA 57 N 6.05 -1.44 -0.11 5.51 0.00 -0.75 -4.84 120.51 124.93 1u8r n ALA 57 Ca -0.03 -0.59 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 1u8r n ALA 57 Cb 0.48 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 1u8r n ALA 57 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1u8r h GLY 58 N -1.49 0.54 1.27 0.00 0.00 -1.96 -2.20 103.07 99.23 1u8r h GLY 58 Ca -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1u8r h GLY 58 CO 0.10 0.31 0.00 2.09 0.00 0.00 0.00 176.54 179.03 1u8r n ASP 59 N -4.66 0.00 0.00 0.19 5.68 -1.26 -4.87 116.55 111.62 1u8r n ASP 59 Ca -0.02 -0.47 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 1u8r n ASP 59 Cb 0.18 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.14 0.00 -2.30 0.11 1.74 -0.83 -5.06 116.66 109.19 1u8r n ARG 60 Ca 0.16 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.92 1u8r n ARG 60 Cb 0.14 -2.10 -0.02 0.00 -1.02 0.00 0.00 32.46 29.46 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 -2.22 3.42 -0.10 -1.55 -3.43 -1.26 -4.58 115.29 105.56 1u8r s HIS 61 Ca 0.00 1.45 -0.20 0.00 -0.80 0.00 0.00 55.06 55.52 1u8r s HIS 61 Cb 0.00 -2.81 -0.04 0.00 -1.43 0.00 0.00 32.58 28.30 1u8r s HIS 61 CO 0.00 -0.49 0.54 -0.51 -2.00 0.00 0.00 174.74 172.28 1u8r s LEU 62 N -4.24 4.29 -0.18 5.38 1.43 0.19 -1.80 118.68 123.74 1u8r s LEU 62 Ca 0.59 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1u8r s LEU 62 Cb -0.11 -2.81 0.01 0.00 0.03 0.00 0.00 46.19 43.31 1u8r s LEU 62 CO 0.34 -0.03 -0.16 -0.70 0.23 0.00 0.00 176.35 176.03 1u8r s GLU 63 N 0.66 3.13 0.10 1.70 2.56 -0.10 -4.77 118.70 121.97 1u8r s GLU 63 Ca 0.29 -0.77 -0.30 0.00 0.00 0.00 0.00 54.97 54.19 1u8r s GLU 63 Cb -0.16 -2.65 -0.06 0.00 2.00 0.00 0.00 34.13 33.26 1u8r s GLU 63 CO 0.13 -0.12 1.12 -0.51 -0.56 0.00 0.00 175.26 175.32 1u8r s LEU 64 N 1.14 4.42 0.99 2.70 1.43 -1.26 -0.24 118.68 127.86 1u8r s LEU 64 Ca 0.01 1.99 -0.16 0.00 -1.03 0.00 0.00 54.13 54.94 1u8r s LEU 64 Cb -0.14 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.68 1u8r s LEU 64 CO -0.06 -0.33 1.23 0.42 0.23 0.00 0.00 176.35 177.83 1u8r s THR 65 N 0.52 1.91 0.19 5.49 -4.23 -0.68 -4.66 115.64 114.18 1u8r s THR 65 Ca 0.54 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.89 1u8r s THR 65 Cb -0.28 -2.84 0.18 0.00 1.34 0.00 0.00 72.50 70.89 1u8r s THR 65 CO 0.31 0.00 1.63 -0.08 -0.54 0.00 0.00 174.62 175.95 1u8r h GLU 66 N -1.75 -0.03 0.33 3.99 4.57 -1.89 -0.58 114.58 119.22 1u8r h GLU 66 Ca -0.46 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.71 1u8r h GLU 66 Cb 1.28 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1u8r h GLU 66 CO 0.45 -0.02 -0.16 -0.22 -1.18 0.00 0.00 179.01 177.88 1u8r h LYS 67 N -0.03 -0.43 -0.66 1.92 3.64 -1.90 -2.84 116.57 116.27 1u8r h LYS 67 Ca 0.26 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.80 1u8r h LYS 67 Cb 0.42 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.24 1u8r h LYS 67 CO -0.57 -0.13 0.14 0.78 -2.27 0.00 0.00 179.45 177.40 1u8r h GLY 68 N -0.72 0.87 1.43 5.01 0.00 -1.53 -1.23 103.07 106.89 1u8r h GLY 68 Ca -0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1u8r h GLY 68 CO 0.07 -0.15 -0.07 -0.09 0.00 0.00 0.00 176.54 176.30 1u8r h ARG 69 N 0.26 0.69 -0.54 4.80 2.43 -1.15 -0.67 114.38 120.20 1u8r h ARG 69 Ca 0.36 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1u8r h ARG 69 Cb 0.57 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1u8r h ARG 69 CO -0.45 0.76 0.35 0.00 -1.51 0.00 0.00 179.97 179.12 1u8r h ALA 70 N 1.28 0.68 0.19 2.80 0.00 -0.99 -1.54 119.26 121.69 1u8r h ALA 70 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1u8r h ALA 70 Cb 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1u8r h ALA 70 CO 0.03 0.11 -0.09 1.25 0.00 0.00 0.00 179.25 180.55 1u8r h LEU 71 N 0.72 -0.22 -0.86 0.00 6.46 -1.21 -2.18 115.31 118.01 1u8r h LEU 71 Ca 0.20 -0.27 0.23 0.00 -0.12 0.00 0.00 57.88 57.92 1u8r h LEU 71 Cb -0.07 0.06 -0.14 0.00 -0.73 0.00 0.00 40.66 39.77 1u8r h LEU 71 CO -0.05 0.18 0.22 0.00 -0.62 0.00 0.00 178.44 178.17 1u8r h ALA 72 N 0.02 1.23 -0.27 1.25 0.00 -1.01 0.43 119.26 120.90 1u8r h ALA 72 Ca -0.03 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1u8r h ALA 72 Cb 0.47 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1u8r h ALA 72 CO 0.04 -0.45 0.09 0.82 0.00 0.00 0.00 179.25 179.75 1u8r h ILE 73 N 0.21 1.19 -0.66 0.00 2.04 -1.21 -1.71 117.51 117.37 1u8r h ILE 73 Ca 0.54 -0.59 0.13 0.00 1.00 0.00 0.00 64.86 65.94 1u8r h ILE 73 Cb 1.06 1.08 -0.10 0.00 -0.74 0.00 0.00 36.82 38.12 1u8r h ILE 73 CO -0.65 0.20 0.14 0.00 0.00 0.00 0.00 178.15 177.83 1u8r h ALA 74 N 0.93 0.79 0.10 1.87 0.00 0.45 0.13 119.26 123.53 1u8r h ALA 74 Ca 0.09 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1u8r h ALA 74 Cb 0.22 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1u8r h ALA 74 CO -0.00 -0.32 -0.05 0.28 0.00 0.00 0.00 179.25 179.16 1u8r h VAL 75 N 0.26 1.03 -0.82 0.00 2.07 -0.87 -2.38 116.25 115.54 1u8r h VAL 75 Ca 0.35 -0.52 0.11 0.00 0.82 0.00 0.00 66.70 67.46 1u8r h VAL 75 Cb 0.56 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1u8r h VAL 75 CO -0.45 0.13 0.53 -0.03 0.02 0.00 0.00 177.57 177.77 1u8r h MET 76 N -0.38 0.69 -0.05 1.57 -1.53 -0.56 0.12 114.93 114.79 1u8r h MET 76 Ca -0.01 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.20 1u8r h MET 76 Cb 0.31 -0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 31.21 1u8r h MET 76 CO 0.02 0.45 0.02 -0.09 0.14 0.00 0.00 176.91 177.46 1u8r h ARG 77 N 0.71 0.07 -0.43 0.39 2.43 -0.56 -1.47 114.38 115.51 1u8r h ARG 77 Ca 0.39 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.53 1u8r h ARG 77 Cb 0.54 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1u8r h ARG 77 CO -0.16 0.17 0.20 0.87 -1.51 0.00 0.00 179.97 179.54 1u8r h LYS 78 N -0.04 0.63 0.04 0.20 1.57 -0.84 -0.80 116.57 117.33 1u8r h LYS 78 Ca 0.02 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1u8r h LYS 78 Cb 0.12 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1u8r h LYS 78 CO -0.00 0.55 -0.46 1.25 -0.57 0.00 0.00 179.45 180.22 1u8r h HIS 79 N 0.55 -1.32 -0.37 -1.35 2.76 -0.59 -0.73 115.15 114.11 1u8r h HIS 79 Ca 0.15 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1u8r h HIS 79 Cb 0.14 0.57 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 1u8r h HIS 79 CO -0.01 -0.53 -0.15 0.00 -1.30 0.00 0.00 177.93 175.94 1u8r h ARG 80 N -0.64 0.67 -0.19 5.26 3.08 -1.15 -1.14 114.38 120.27 1u8r h ARG 80 Ca 0.03 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 1u8r h ARG 80 Cb 0.69 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1u8r h ARG 80 CO -0.31 0.79 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.21 1u8r h LEU 81 N 0.61 0.28 0.21 3.04 3.38 -0.96 -2.05 115.31 119.82 1u8r h LEU 81 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1u8r h LEU 81 Cb 0.60 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1u8r h LEU 81 CO 0.04 0.43 -0.10 0.00 0.09 0.00 0.00 178.44 178.90 1u8r h ALA 82 N 1.61 -0.29 -0.96 1.53 0.00 -0.45 -1.32 119.26 119.39 1u8r h ALA 82 Ca 0.06 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.97 1u8r h ALA 82 Cb 0.38 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 1u8r h ALA 82 CO 0.02 -0.48 0.61 0.93 0.00 0.00 0.00 179.25 180.33 1u8r h GLU 83 N -0.65 0.63 0.08 0.00 5.08 -1.06 0.21 114.58 118.86 1u8r h GLU 83 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1u8r h GLU 83 Cb 0.47 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1u8r h GLU 83 CO 0.05 0.42 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.35 1u8r h ARG 84 N 0.65 -0.10 -0.68 2.33 9.65 -1.14 -1.80 114.38 123.30 1u8r h ARG 84 Ca 0.52 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.37 1u8r h ARG 84 Cb 0.95 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.52 1u8r h ARG 84 CO -0.28 0.03 0.27 1.25 2.80 0.00 0.00 179.97 184.04 1u8r h LEU 85 N -0.21 0.91 -0.29 3.80 5.85 0.12 -1.14 115.31 124.35 1u8r h LEU 85 Ca -0.01 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1u8r h LEU 85 Cb 0.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1u8r h LEU 85 CO 0.02 0.82 0.10 -0.07 -0.34 0.00 0.00 178.44 178.97 1u8r h LEU 86 N 0.98 0.41 0.08 2.25 3.38 -0.49 -1.43 115.31 120.49 1u8r h LEU 86 Ca 0.23 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1u8r h LEU 86 Cb 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1u8r h LEU 86 CO -0.02 0.49 -0.04 0.58 0.09 0.00 0.00 178.44 179.54 1u8r h VAL 87 N 0.32 1.11 0.61 1.22 2.07 -1.24 0.23 116.25 120.58 1u8r h VAL 87 Ca 0.10 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1u8r h VAL 87 Cb 0.21 1.95 0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1u8r h VAL 87 CO -0.01 0.32 -0.29 0.44 0.02 0.00 0.00 177.57 178.05 1u8r h ASP 88 N -0.86 -0.70 0.00 0.57 3.32 -1.31 -3.24 116.42 114.21 1u8r h ASP 88 Ca -0.01 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1u8r h ASP 88 Cb 0.60 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1u8r h ASP 88 CO 0.02 -0.31 -0.55 0.58 -1.72 0.00 0.00 179.24 177.25 1u8r h VAL 89 N -1.16 0.19 -0.98 -1.35 2.07 -1.56 -3.39 116.25 110.08 1u8r h VAL 89 Ca -0.08 -1.23 0.06 0.00 0.82 0.00 0.00 66.70 66.27 1u8r h VAL 89 Cb 0.66 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1u8r h VAL 89 CO 0.14 0.07 0.63 0.40 0.02 0.00 0.00 177.57 178.83 1u8r h ILE 90 N -1.00 1.10 0.00 4.57 1.08 -1.34 -3.47 117.51 118.45 1u8r h ILE 90 Ca -0.06 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1u8r h ILE 90 Cb 0.58 -0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1u8r h ILE 90 CO -0.03 0.21 0.00 0.61 -0.69 0.00 0.00 178.15 178.25 1u8r n GLY 91 N -1.37 0.68 3.74 5.37 0.00 0.30 -5.01 105.19 108.90 1u8r n GLY 91 Ca 0.15 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 4.52 0.37 0.99 2.96 0.55 -4.97 118.68 123.10 1u8r s LEU 92 Ca 0.00 1.77 -0.24 0.00 -0.22 0.00 0.00 54.13 55.43 1u8r s LEU 92 Cb 0.00 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 43.03 1u8r s LEU 92 CO 0.00 -0.01 0.72 -0.81 -1.32 0.00 0.00 176.35 174.92 1u8r n PRO 93 N 2.56 0.80 -0.02 0.98 -0.04 -1.26 -4.30 135.00 133.71 1u8r n PRO 93 Ca 0.01 0.29 -0.14 0.00 -0.04 0.00 0.00 63.50 63.62 1u8r n PRO 93 Cb 0.49 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 1u8r n PRO 93 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1u8r h TRP 94 N 1.18 -1.45 0.00 0.54 7.01 -1.97 -1.81 115.95 119.45 1u8r h TRP 94 Ca -0.40 0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.66 1u8r h TRP 94 Cb 1.38 0.66 0.00 0.00 -2.10 0.00 0.00 29.16 29.10 1u8r h TRP 94 CO 0.40 -0.52 0.00 -0.85 -2.79 0.00 0.00 178.44 174.69 1u8r n GLU 95 N -5.43 0.55 0.00 2.65 0.00 -1.26 -2.78 120.64 114.37 1u8r n GLU 95 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 1u8r n GLU 95 Cb 0.37 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.54 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 0.24 2.57 -0.09 3.44 1.02 -0.70 -4.82 120.64 122.31 1u8r n GLU 96 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1u8r n GLU 96 Cb 0.14 -0.78 0.18 0.00 -0.02 0.00 0.00 31.44 30.96 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 1.24 -0.19 2.62 -1.51 -1.33 -3.10 116.25 113.98 1u8r h VAL 97 Ca 0.00 -1.00 0.03 0.00 -1.23 0.00 0.00 66.70 64.50 1u8r h VAL 97 Cb 0.09 0.92 -0.03 0.00 -2.13 0.00 0.00 31.29 30.14 1u8r h VAL 97 CO 0.00 0.35 0.01 -0.74 -1.23 0.00 0.00 177.57 175.96 1u8r h HIS 98 N 0.69 0.02 -0.49 5.19 -0.00 -1.88 0.02 115.15 118.69 1u8r h HIS 98 Ca 0.13 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.49 1u8r h HIS 98 Cb 0.45 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 1u8r h HIS 98 CO 0.02 -0.01 0.20 0.00 -0.00 0.00 0.00 177.93 178.14 1u8r h ALA 99 N 1.15 1.42 -0.23 5.26 0.00 -1.89 -1.12 119.26 123.85 1u8r h ALA 99 Ca 0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1u8r h ALA 99 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1u8r h ALA 99 CO -0.14 0.44 -0.41 1.49 0.00 0.00 0.00 179.25 180.64 1u8r h GLU 100 N 0.70 0.69 0.00 0.00 4.57 -1.41 -3.14 114.58 116.00 1u8r h GLU 100 Ca 0.17 -0.43 -0.06 0.00 -1.18 0.00 0.00 59.36 57.86 1u8r h GLU 100 Cb 0.14 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1u8r h GLU 100 CO -0.02 1.05 -0.27 0.00 -1.18 0.00 0.00 179.01 178.60 1u8r h ALA 101 N 0.63 1.08 0.00 2.92 0.00 -0.66 -2.18 119.26 121.05 1u8r h ALA 101 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1u8r h ALA 101 Cb 1.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1u8r h ALA 101 CO 0.09 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1u8r n ARG 103 N -1.71 0.47 0.06 0.00 1.74 -0.92 -4.53 116.66 111.78 1u8r n ARG 103 Ca 0.02 0.14 0.02 0.00 -0.77 0.00 0.00 57.85 57.26 1u8r n ARG 103 Cb 0.15 -1.35 0.39 0.00 -1.02 0.00 0.00 32.46 30.63 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 -0.22 0.39 0.00 -1.55 4.06 -1.12 -2.71 115.95 114.80 1u8r h TRP 104 Ca -0.46 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.46 1u8r h TRP 104 Cb 1.61 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 29.66 1u8r h TRP 104 CO -0.00 0.38 0.22 1.05 -3.56 0.00 0.00 178.44 176.53 1u8r h GLU 105 N 0.38 0.00 -0.61 0.49 4.11 -1.25 0.11 114.58 117.82 1u8r h GLU 105 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1u8r h GLU 105 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 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 -2.57 0.81 0.00 2.06 8.25 -1.02 -4.54 115.22 118.21 1u8r n HIS 106 Ca -0.02 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 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 1.45 0.00 -1.97 1.59 0.24 -0.03 -5.01 118.33 114.61 1u8r n VAL 107 Ca 0.22 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.34 62.06 1u8r n VAL 107 Cb 0.59 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.15 4.18 0.78 7.34 -1.94 -0.86 -4.99 119.30 123.67 1u8r s MET 108 Ca 0.00 2.24 -0.11 0.00 -1.71 0.00 0.00 55.69 56.12 1u8r s MET 108 Cb 0.00 -3.97 0.06 0.00 2.01 0.00 0.00 34.83 32.94 1u8r s MET 108 CO 0.00 -0.84 1.09 -1.54 -0.01 0.00 0.00 175.02 173.71 1u8r s SER 109 N 3.36 4.47 0.51 3.03 1.04 -1.26 -4.91 113.70 119.94 1u8r s SER 109 Ca 0.75 1.69 0.29 0.00 0.48 0.00 0.00 55.95 59.16 1u8r s SER 109 Cb -0.35 -2.42 1.30 0.00 0.10 0.00 0.00 66.02 64.65 1u8r s SER 109 CO 0.31 -2.04 1.98 -0.08 0.98 0.00 0.00 173.24 174.39 1u8r h GLU 110 N -1.13 0.00 -0.00 4.02 4.81 -2.00 -2.60 114.58 117.67 1u8r h GLU 110 Ca -0.45 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 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 0.53 0.12 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.49 1u8r h ASP 111 N 0.00 0.01 -0.56 1.04 3.45 -2.00 -2.77 116.42 115.59 1u8r h ASP 111 Ca -0.00 -0.62 0.10 0.00 0.43 0.00 0.00 57.03 56.94 1u8r h ASP 111 Cb 0.51 -0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.24 1u8r h ASP 111 CO 0.02 0.63 0.38 0.58 -1.57 0.00 0.00 179.24 179.27 1u8r h VAL 112 N -0.60 0.89 0.52 -1.35 2.07 -1.88 -1.71 116.25 114.18 1u8r h VAL 112 Ca -0.00 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1u8r h VAL 112 Cb 0.62 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1u8r h VAL 112 CO 0.00 0.06 -0.28 -0.33 0.02 0.00 0.00 177.57 177.05 1u8r h GLU 113 N 0.35 -0.71 -0.74 1.57 5.08 -1.39 -0.36 114.58 118.38 1u8r h GLU 113 Ca 0.26 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.79 1u8r h GLU 113 Cb 0.55 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.83 1u8r h GLU 113 CO -0.06 -0.47 -0.32 0.00 -1.00 0.00 0.00 179.01 177.15 1u8r h ARG 114 N -0.74 -0.08 0.00 2.33 3.08 -1.12 0.40 114.38 118.25 1u8r h ARG 114 Ca -0.07 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1u8r h ARG 114 Cb 0.57 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1u8r h ARG 114 CO 0.10 -0.06 -0.09 0.00 -1.07 0.00 0.00 179.97 178.85 1u8r h ARG 115 N -0.09 0.00 -0.11 0.04 3.08 -1.24 -1.09 114.38 114.98 1u8r h ARG 115 Ca 0.29 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.21 1u8r h ARG 115 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1u8r h ARG 115 CO -0.79 0.09 -0.52 -0.07 -1.07 0.00 0.00 179.97 177.61 1u8r h LEU 116 N 0.00 0.33 -0.41 3.04 3.38 0.16 -1.84 115.31 119.96 1u8r h LEU 116 Ca -0.00 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1u8r h LEU 116 Cb 0.19 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1u8r h LEU 116 CO 0.01 0.79 0.20 0.58 0.09 0.00 0.00 178.44 180.11 1u8r h VAL 117 N 0.23 0.96 -0.24 1.22 2.07 -0.04 -0.61 116.25 119.85 1u8r h VAL 117 Ca 0.01 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 1u8r h VAL 117 Cb 1.00 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1u8r h VAL 117 CO 0.08 0.07 -0.44 0.11 0.02 0.00 0.00 177.57 177.42 1u8r h LYS 118 N 0.40 0.59 0.00 1.57 1.79 -1.35 0.40 116.57 119.97 1u8r h LYS 118 Ca 0.18 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1u8r h LYS 118 Cb 0.09 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1u8r h LYS 118 CO -0.13 0.91 -0.07 0.28 -1.08 0.00 0.00 179.45 179.36 1u8r h VAL 119 N 0.48 0.15 -0.38 0.50 2.07 -0.83 -2.97 116.25 115.26 1u8r h VAL 119 Ca 0.03 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1u8r h VAL 119 Cb 0.96 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1u8r h VAL 119 CO 0.09 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.92 1u8r n LEU 120 N -3.16 3.05 -2.74 2.57 4.77 -0.28 -4.99 117.00 116.22 1u8r n LEU 120 Ca 0.01 -1.80 -0.11 0.00 -0.03 0.00 0.00 56.01 54.09 1u8r n LEU 120 Cb 0.41 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1u8r n LEU 120 CO 0.31 0.73 0.03 0.59 -1.33 0.00 0.00 177.39 177.72 1u8r n ASN 121 N 0.87 -4.78 -4.04 -1.43 5.03 -0.93 -3.88 115.26 106.10 1u8r n ASN 121 Ca 0.14 -0.49 -0.27 0.00 0.87 0.00 0.00 54.58 54.83 1u8r n ASN 121 Cb 0.47 -3.84 -0.04 0.00 -1.02 0.00 0.00 39.78 35.35 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 -2.69 -0.09 -4.46 6.41 3.02 0.14 -4.91 115.26 112.68 1u8r n ASN 122 Ca -0.07 -1.07 -0.32 0.00 -0.03 0.00 0.00 54.58 53.09 1u8r n ASN 122 Cb 0.59 -2.72 0.15 0.00 -0.61 0.00 0.00 39.78 37.20 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 -4.44 -0.76 0.00 3.52 -0.04 -1.25 -4.95 135.00 127.08 1u8r n PRO 123 Ca -0.31 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 1u8r n PRO 123 Cb 0.68 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 -4.02 0.00 -4.15 0.52 -2.24 -1.26 -4.94 114.28 98.19 1u8r n THR 124 Ca 0.07 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1u8r n THR 124 Cb 0.55 1.38 -0.07 0.00 -2.10 0.00 0.00 70.33 70.09 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 -0.14 0.00 0.35 4.28 -4.23 -1.26 -1.06 115.64 113.57 1u8r s THR 125 Ca 0.00 -1.79 0.07 0.00 -1.18 0.00 0.00 61.69 58.79 1u8r s THR 125 Cb 0.00 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 1u8r s THR 125 CO 0.00 0.00 0.44 -0.94 -0.54 0.00 0.00 174.62 173.58 1u8r s SER 126 N -3.18 5.75 0.00 3.99 1.04 0.00 -4.83 113.70 116.48 1u8r s SER 126 Ca 0.34 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1u8r s SER 126 Cb 0.03 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 65.08 1u8r s SER 126 CO 0.16 -0.47 0.41 -2.65 0.98 0.00 0.00 173.24 171.66 1u8r n PRO 127 N -1.61 0.00 -0.03 4.02 -0.02 -1.26 0.27 135.00 136.37 1u8r n PRO 127 Ca 0.01 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.51 1u8r n PRO 127 Cb 0.59 -1.42 0.03 0.00 -0.02 0.00 0.00 33.50 32.68 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 -0.90 0.08 -0.28 6.00 3.01 -1.26 -4.89 117.46 119.22 1u8r n PHE 128 Ca 0.00 -0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1u8r n PHE 128 Cb 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 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 0.05 1.12 3.73 1.37 0.00 0.14 -1.36 105.19 110.25 1u8r n GLY 129 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1u8r n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u8r s ASN 130 N -3.01 7.50 0.46 1.61 -0.87 -1.26 -4.60 114.94 114.76 1u8r s ASN 130 Ca 0.00 1.79 -0.24 0.00 -1.57 0.00 0.00 52.86 52.84 1u8r s ASN 130 Cb 0.00 -2.59 -0.07 0.00 -0.02 0.00 0.00 41.25 38.57 1u8r s ASN 130 CO 0.00 -0.05 1.28 -2.16 -2.57 0.00 0.00 177.10 173.60 1u8r s PRO 131 N -0.06 3.70 -0.62 -0.60 0.04 -1.26 -0.82 135.00 135.39 1u8r s PRO 131 Ca 0.46 2.08 -0.25 0.00 0.04 0.00 0.00 61.00 63.34 1u8r s PRO 131 Cb -0.23 -2.54 0.05 0.00 0.04 0.00 0.00 34.50 31.81 1u8r s PRO 131 CO 0.30 -0.69 1.04 0.42 0.04 0.00 0.00 177.00 178.11 1u8r s ILE 132 N -1.35 4.21 1.25 0.56 1.01 -0.23 -4.88 121.20 121.78 1u8r s ILE 132 Ca 0.62 0.21 -0.19 0.00 0.00 0.00 0.00 60.65 61.30 1u8r s ILE 132 Cb -0.36 -4.67 0.30 0.00 0.01 0.00 0.00 42.46 37.74 1u8r s ILE 132 CO 0.45 -1.36 1.04 -2.16 0.00 0.00 0.00 174.94 172.91 1u8r s PRO 133 N 4.41 -1.61 -0.56 2.79 0.04 -1.26 -4.03 135.00 134.78 1u8r s PRO 133 Ca 0.31 0.14 -0.07 0.00 0.04 0.00 0.00 61.00 61.41 1u8r s PRO 133 Cb -0.12 -1.53 0.07 0.00 0.04 0.00 0.00 34.50 32.96 1u8r s PRO 133 CO 0.17 -4.01 0.18 0.41 0.04 0.00 0.00 177.00 173.79 1u8r n GLY 134 N -0.05 -0.43 0.20 0.56 0.00 -1.26 -4.66 105.19 99.54 1u8r n GLY 134 Ca 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.26 0.29 0.06 0.99 3.38 -1.95 -3.10 115.31 114.72 1u8r h LEU 135 Ca -0.18 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.47 1u8r h LEU 135 Cb 1.05 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.73 1u8r h LEU 135 CO 0.27 0.67 -0.83 -2.24 0.09 0.00 0.00 178.44 176.40 1u8r h ASP 136 N 0.23 0.62 0.16 -0.43 2.03 -1.88 -2.80 116.42 114.35 1u8r h ASP 136 Ca 0.02 -0.82 0.00 0.00 -0.73 0.00 0.00 57.03 55.50 1u8r h ASP 136 Cb 0.83 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 1u8r h ASP 136 CO 0.07 1.37 0.00 -1.84 -1.03 0.00 0.00 179.24 177.81 1u8r n GLU 137 N -4.08 0.15 -0.01 4.15 0.00 -1.23 -0.45 120.64 119.17 1u8r n GLU 137 Ca -0.12 0.18 -0.21 0.00 0.00 0.00 0.00 57.16 57.00 1u8r n GLU 137 Cb 0.80 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.60 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 0.34 0.00 -1.84 6.46 -1.44 -3.49 115.31 115.33 1u8r h LEU 138 Ca 0.00 -0.83 0.00 0.00 -0.12 0.00 0.00 57.88 56.93 1u8r h LEU 138 Cb 0.08 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1u8r h LEU 138 CO 0.00 1.65 0.00 0.61 -0.62 0.00 0.00 178.44 180.08 1u8r n GLY 139 N 1.75 0.38 0.00 3.75 0.00 0.40 -5.01 105.19 106.46 1u8r n GLY 139 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.87 1.61 0.24 -1.15 -5.02 118.33 113.14 1u8r n VAL 140 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 1u8r n VAL 140 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1u8r n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u8r n GLY 141 N 0.00 -1.92 2.41 7.63 0.00 -1.26 -4.20 105.19 107.85 1u8r n GLY 141 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1u8r n GLY 141 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u8r n ASN 150 N -3.20 0.00 -3.69 1.61 6.94 -1.26 -4.94 115.26 110.71 1u8r n ASN 150 Ca -0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.45 1u8r n ASN 150 Cb 0.40 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.71 1u8r n ASN 150 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1u8r s LEU 151 N 0.00 -0.10 0.36 -4.53 2.96 -1.26 -4.59 118.68 111.51 1u8r s LEU 151 Ca 0.00 0.89 0.04 0.00 -0.22 0.00 0.00 54.13 54.83 1u8r s LEU 151 Cb 0.00 1.34 -0.05 0.00 0.50 0.00 0.00 46.19 47.97 1u8r s LEU 151 CO 0.00 -0.19 0.07 0.68 -1.32 0.00 0.00 176.35 175.59 1u8r s VAL 152 N 1.44 1.04 -0.14 1.68 -7.23 -0.04 -4.97 120.40 112.18 1u8r s VAL 152 Ca -0.09 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.05 1u8r s VAL 152 Cb -0.09 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1u8r s VAL 152 CO -0.13 0.00 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.02 1u8r s ARG 153 N -3.85 3.50 0.60 4.82 3.52 -1.26 -0.16 118.95 126.13 1u8r s ARG 153 Ca 0.32 -0.51 0.29 0.00 -0.13 0.00 0.00 55.73 55.70 1u8r s ARG 153 Cb 0.07 -2.86 1.00 0.00 -1.56 0.00 0.00 34.95 31.60 1u8r s ARG 153 CO 0.15 0.34 1.32 1.28 -0.81 0.00 0.00 175.30 177.57 1u8r n LEU 154 N 3.25 0.00 0.08 -0.88 4.77 -0.61 0.20 117.00 123.81 1u8r n LEU 154 Ca -0.18 0.78 -0.07 0.00 -0.03 0.00 0.00 56.01 56.51 1u8r n LEU 154 Cb 0.53 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1u8r n LEU 154 CO 0.32 -0.78 0.20 0.71 -1.33 0.00 0.00 177.39 176.50 1u8r h THR 155 N 0.00 1.61 -0.20 -5.08 1.35 -1.86 -3.18 112.91 105.55 1u8r h THR 155 Ca 0.54 -3.02 -0.09 0.00 -0.55 0.00 0.00 66.41 63.29 1u8r h THR 155 Cb 3.03 2.67 -0.05 0.00 -1.73 0.00 0.00 68.15 72.07 1u8r h THR 155 CO -0.01 0.87 0.11 -0.62 -0.25 0.00 0.00 175.52 175.63 1u8r n GLU 156 N -3.50 1.38 -4.26 4.72 1.02 0.55 -4.82 120.64 115.72 1u8r n GLU 156 Ca -0.02 -0.65 -0.34 0.00 -0.02 0.00 0.00 57.16 56.13 1u8r n GLU 156 Cb 0.87 -1.33 -0.13 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.69 3.10 0.48 -4.62 2.96 -1.20 -4.81 118.68 113.90 1u8r s LEU 157 Ca 0.12 -0.23 -0.24 0.00 -0.22 0.00 0.00 54.13 53.56 1u8r s LEU 157 Cb 0.10 -1.76 -0.07 0.00 0.50 0.00 0.00 46.19 44.96 1u8r s LEU 157 CO 0.03 0.10 1.39 -0.81 -1.32 0.00 0.00 176.35 175.74 1u8r n PRO 158 N 4.00 2.03 -1.83 0.98 -0.04 -1.26 -4.89 135.00 133.98 1u8r n PRO 158 Ca -0.18 0.73 -0.26 0.00 -0.04 0.00 0.00 63.50 63.75 1u8r n PRO 158 Cb 0.52 -2.59 0.18 0.00 -0.04 0.00 0.00 33.50 31.56 1u8r n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u8r n ALA 159 N -0.51 -1.18 0.00 0.55 0.00 -1.26 -4.69 120.51 113.42 1u8r n ALA 159 Ca 0.07 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1u8r n ALA 159 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1u8r n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8r n GLY 160 N -2.80 1.15 3.86 0.00 0.00 -1.26 -4.99 105.19 101.15 1u8r n GLY 160 Ca 0.15 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 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 6.69 1.06 1.61 0.15 -1.26 -4.84 113.70 113.10 1u8r s SER 161 Ca 0.00 0.83 -0.23 0.00 0.70 0.00 0.00 55.95 57.26 1u8r s SER 161 Cb 0.00 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 1u8r s SER 161 CO 0.00 0.26 -0.71 -2.65 1.20 0.00 0.00 173.24 171.33 1u8r n PRO 162 N 1.38 -0.78 -3.77 5.44 -0.02 -1.26 -4.93 135.00 131.06 1u8r n PRO 162 Ca -0.12 -0.22 -0.13 0.00 -2.02 0.00 0.00 63.50 61.02 1u8r n PRO 162 Cb 0.53 -1.36 -0.11 0.00 -0.02 0.00 0.00 33.50 32.53 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 -2.13 -0.00 -0.07 -1.45 1.01 -0.66 -4.95 120.40 112.16 1u8r s VAL 163 Ca 0.46 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.25 1u8r s VAL 163 Cb -0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1u8r s VAL 163 CO 0.67 0.01 0.59 0.00 0.00 0.00 0.00 175.10 176.37 1u8r s ALA 164 N 0.27 3.43 0.29 5.51 0.00 -1.26 -1.01 121.76 128.99 1u8r s ALA 164 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 1u8r s ALA 164 Cb -0.03 -2.78 -0.00 0.00 0.00 0.00 0.00 23.12 20.30 1u8r s ALA 164 CO -0.01 0.02 0.44 0.14 0.00 0.00 0.00 175.76 176.35 1u8r s VAL 165 N 0.44 0.00 -0.13 0.00 -7.23 0.00 -2.89 120.40 110.59 1u8r s VAL 165 Ca 0.32 -1.56 -0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1u8r s VAL 165 Cb -0.17 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.33 1u8r s VAL 165 CO 0.15 0.00 -0.09 0.54 -0.31 0.00 0.00 175.10 175.39 1u8r s VAL 166 N -3.52 1.20 -0.12 1.32 0.11 -0.79 -1.03 120.40 117.57 1u8r s VAL 166 Ca 0.28 -0.46 -0.35 0.00 -2.93 0.00 0.00 61.98 58.52 1u8r s VAL 166 Cb 0.00 -1.22 -0.12 0.00 -1.53 0.00 0.00 36.38 33.51 1u8r s VAL 166 CO 0.15 0.34 1.86 0.52 -3.33 0.00 0.00 175.10 174.64 1u8r n VAL 167 N 4.88 0.54 -0.08 2.04 0.31 -0.86 -2.25 118.33 122.91 1u8r n VAL 167 Ca -0.13 -0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 63.98 1u8r n VAL 167 Cb 0.49 -1.77 -0.07 0.00 -0.91 0.00 0.00 33.84 31.59 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 6.45 0.37 -4.06 5.55 5.12 -0.54 -0.60 116.66 128.94 1u8r n ARG 168 Ca 0.23 0.10 -0.13 0.00 -1.93 0.00 0.00 57.85 56.13 1u8r n ARG 168 Cb 0.27 -1.24 -0.12 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 -2.30 0.50 -0.42 5.56 -0.21 -0.47 -4.36 119.66 117.97 1u8r s GLN 169 Ca -0.21 -0.71 0.02 0.00 0.02 0.00 0.00 55.36 54.48 1u8r s GLN 169 Cb 0.06 -0.27 0.14 0.00 1.00 0.00 0.00 33.01 33.94 1u8r s GLN 169 CO 0.33 0.05 0.24 -0.51 -2.12 0.00 0.00 175.29 173.28 1u8r s LEU 170 N -1.47 2.09 0.71 2.90 1.43 -0.46 -2.01 118.68 121.88 1u8r s LEU 170 Ca -0.10 -2.54 -0.16 0.00 -1.03 0.00 0.00 54.13 50.30 1u8r s LEU 170 Cb -0.09 -0.80 0.03 0.00 0.03 0.00 0.00 46.19 45.35 1u8r s LEU 170 CO 0.00 -0.27 1.24 0.35 0.23 0.00 0.00 176.35 177.90 1u8r n THR 171 N 3.62 3.73 -0.26 5.49 -2.24 -0.89 -4.69 114.28 119.05 1u8r n THR 171 Ca 0.11 -0.38 0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1u8r n THR 171 Cb 0.36 -1.36 0.20 0.00 -2.10 0.00 0.00 70.33 67.43 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 -2.43 -0.06 -0.28 -0.78 -0.58 -1.26 -0.68 120.64 114.57 1u8r n GLU 172 Ca 0.15 1.11 0.10 0.00 -0.42 0.00 0.00 57.16 58.09 1u8r n GLU 172 Cb 0.49 -1.74 0.25 0.00 -0.57 0.00 0.00 31.44 29.86 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 0.46 -0.28 -0.32 2.76 -1.92 0.39 115.15 116.24 1u8r h HIS 173 Ca 0.43 0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.50 1u8r h HIS 173 Cb 0.86 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 1u8r h HIS 173 CO -0.40 -0.07 -0.41 -0.24 -1.30 0.00 0.00 177.93 175.50 1u8r h VAL 174 N 0.33 1.29 -0.10 5.26 3.04 -1.20 -1.85 116.25 123.03 1u8r h VAL 174 Ca 0.49 -1.59 0.03 0.00 -1.01 0.00 0.00 66.70 64.63 1u8r h VAL 174 Cb 0.90 1.51 -0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1u8r h VAL 174 CO -0.53 0.51 0.17 1.56 -1.01 0.00 0.00 177.57 178.26 1u8r h GLN 175 N 0.56 0.00 0.55 4.17 4.20 -0.22 -2.65 115.11 121.72 1u8r h GLN 175 Ca 0.04 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1u8r h GLN 175 Cb 0.94 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.73 1u8r h GLN 175 CO 0.09 0.00 -0.27 0.78 -0.67 0.00 0.00 178.83 178.76 1u8r h GLY 176 N 0.00 -0.77 -7.43 3.46 0.00 -0.19 -3.38 103.07 94.76 1u8r h GLY 176 Ca 0.05 0.29 -0.32 0.00 0.00 0.00 0.00 47.33 47.35 1u8r h GLY 176 CO -0.00 -0.28 0.96 -0.35 0.00 0.00 0.00 176.54 176.86 1u8r s ASP 177 N -3.64 4.64 0.29 0.19 3.68 -1.00 -4.78 116.67 116.06 1u8r s ASP 177 Ca -0.11 0.26 -0.02 0.00 2.13 0.00 0.00 52.55 54.81 1u8r s ASP 177 Cb 0.01 -2.53 0.42 0.00 -1.45 0.00 0.00 42.92 39.36 1u8r s ASP 177 CO 0.33 -3.00 1.91 -0.29 0.13 0.00 0.00 175.17 174.25 1u8r h ILE 178 N 7.41 1.22 -0.72 4.11 2.10 -1.81 -0.80 117.51 129.01 1u8r h ILE 178 Ca -0.11 -0.54 0.05 0.00 1.08 0.00 0.00 64.86 65.34 1u8r h ILE 178 Cb 1.12 0.23 -0.05 0.00 -1.09 0.00 0.00 36.82 37.02 1u8r h ILE 178 CO 1.14 0.24 0.42 0.44 -1.08 0.00 0.00 178.15 179.32 1u8r h ASP 179 N 1.02 0.65 -0.12 2.19 3.32 -1.95 -1.64 116.42 119.89 1u8r h ASP 179 Ca 0.26 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.23 1u8r h ASP 179 Cb 0.02 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1u8r h ASP 179 CO -0.04 0.43 -0.30 0.25 -1.72 0.00 0.00 179.24 177.86 1u8r h LEU 180 N 0.79 0.47 -2.29 1.55 5.85 -1.78 -2.52 115.31 117.38 1u8r h LEU 180 Ca 0.32 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1u8r h LEU 180 Cb 0.15 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1u8r h LEU 180 CO -0.17 0.96 -0.04 -0.29 -0.34 0.00 0.00 178.44 178.56 1u8r h ILE 181 N -0.00 0.30 0.05 4.05 6.09 -1.01 -0.63 117.51 126.36 1u8r h ILE 181 Ca -0.00 -0.27 -0.08 0.00 -1.37 0.00 0.00 64.86 63.14 1u8r h ILE 181 Cb 0.90 1.20 0.01 0.00 0.47 0.00 0.00 36.82 39.40 1u8r h ILE 181 CO 0.06 0.04 -0.35 0.74 -3.07 0.00 0.00 178.15 175.58 1u8r h THR 182 N 0.00 1.65 -0.57 2.19 2.02 -1.21 -2.99 112.91 113.99 1u8r h THR 182 Ca -0.00 -2.34 0.07 0.00 0.77 0.00 0.00 66.41 64.91 1u8r h THR 182 Cb 0.20 3.20 -0.06 0.00 -1.74 0.00 0.00 68.15 69.75 1u8r h THR 182 CO 0.01 0.63 0.26 0.03 0.37 0.00 0.00 175.52 176.82 1u8r h ARG 183 N -0.67 0.47 -0.79 6.66 3.08 -0.96 -0.91 114.38 121.27 1u8r h ARG 183 Ca -0.06 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.04 1u8r h ARG 183 Cb 1.24 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.13 1u8r h ARG 183 CO 0.07 0.31 0.51 -0.07 -1.07 0.00 0.00 179.97 179.72 1u8r h LEU 184 N 0.49 0.71 0.08 3.04 3.38 -1.22 0.77 115.31 122.56 1u8r h LEU 184 Ca 0.27 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1u8r h LEU 184 Cb 0.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1u8r h LEU 184 CO -0.22 0.45 -0.04 0.50 0.09 0.00 0.00 178.44 179.22 1u8r h LYS 185 N 0.80 -0.11 -0.93 1.13 3.64 -1.06 0.75 116.57 120.79 1u8r h LYS 185 Ca 0.35 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.85 1u8r h LYS 185 Cb 0.31 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 1u8r h LYS 185 CO -0.13 0.20 0.60 -0.44 -2.27 0.00 0.00 179.45 177.41 1u8r h ASP 186 N -0.42 0.82 -0.34 4.20 3.45 -0.28 0.14 116.42 124.00 1u8r h ASP 186 Ca -0.01 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.48 1u8r h ASP 186 Cb 0.36 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1u8r h ASP 186 CO 0.02 0.45 0.00 0.00 -1.57 0.00 0.00 179.24 178.14 1u8r n ALA 187 N -2.39 2.82 -0.38 3.45 0.00 0.17 -4.91 120.51 119.27 1u8r n ALA 187 Ca 0.17 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1u8r n ALA 187 Cb 0.35 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.72 0.62 3.56 0.00 0.00 0.49 -4.86 105.19 105.72 1u8r n GLY 188 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.86 3.12 0.31 1.61 1.01 0.19 -4.81 120.40 119.98 1u8r s VAL 189 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1u8r s VAL 189 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1u8r s VAL 189 CO 0.00 -0.26 0.37 0.68 0.00 0.00 0.00 175.10 175.89 1u8r s VAL 190 N 13.76 0.00 0.34 2.92 -7.23 -1.26 -4.51 120.40 124.43 1u8r s VAL 190 Ca 0.86 -1.76 -0.26 0.00 -1.81 0.00 0.00 61.98 59.01 1u8r s VAL 190 Cb -0.11 -2.54 -0.13 0.00 0.56 0.00 0.00 36.38 34.16 1u8r s VAL 190 CO 0.06 0.00 1.01 -2.65 -0.31 0.00 0.00 175.10 173.21 1u8r n PRO 191 N -0.52 1.37 -3.34 4.82 -0.02 -1.26 -3.04 135.00 133.01 1u8r n PRO 191 Ca 0.03 0.49 -0.15 0.00 -2.02 0.00 0.00 63.50 61.85 1u8r n PRO 191 Cb 0.62 -1.93 0.03 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.96 -6.57 -3.68 2.55 3.02 0.23 -4.98 115.26 106.78 1u8r n ASN 192 Ca 0.09 -0.59 -0.15 0.00 -0.03 0.00 0.00 54.58 53.91 1u8r n ASN 192 Cb 0.35 -4.46 -0.14 0.00 -0.61 0.00 0.00 39.78 34.92 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 -3.23 -0.36 0.06 5.41 0.00 -1.17 -4.97 121.76 117.50 1u8r s ALA 193 Ca 0.26 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.68 1u8r s ALA 193 Cb -0.06 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 1u8r s ALA 193 CO 0.79 -0.50 1.06 1.03 0.00 0.00 0.00 175.76 178.13 1u8r s ARG 194 N 2.10 4.55 0.12 0.00 0.52 -1.26 -2.02 118.95 122.95 1u8r s ARG 194 Ca -0.00 1.57 -0.24 0.00 -0.52 0.00 0.00 55.73 56.54 1u8r s ARG 194 Cb -0.12 -3.39 0.07 0.00 0.52 0.00 0.00 34.95 32.03 1u8r s ARG 194 CO -0.07 -0.06 0.60 0.54 0.02 0.00 0.00 175.30 176.33 1u8r s VAL 195 N 0.70 0.00 -0.00 3.52 0.11 -0.20 -4.78 120.40 119.75 1u8r s VAL 195 Ca 0.53 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.58 1u8r s VAL 195 Cb -0.25 -1.01 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 1u8r s VAL 195 CO 0.30 -0.02 -0.06 0.42 -3.33 0.00 0.00 175.10 172.41 1u8r s THR 196 N -3.27 3.70 0.01 5.04 -4.23 -1.08 -0.82 115.64 114.98 1u8r s THR 196 Ca -0.01 -0.73 0.04 0.00 -1.18 0.00 0.00 61.69 59.81 1u8r s THR 196 Cb -0.01 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 1u8r s THR 196 CO -0.09 0.41 -0.13 0.68 -0.54 0.00 0.00 174.62 174.95 1u8r s VAL 197 N -0.99 1.05 -0.01 2.29 -7.23 -0.18 0.86 120.40 116.18 1u8r s VAL 197 Ca 0.17 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 1u8r s VAL 197 Cb -0.11 -0.91 0.01 0.00 0.56 0.00 0.00 36.38 35.93 1u8r s VAL 197 CO 0.07 0.17 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.30 1u8r s GLU 198 N -0.63 0.36 -0.02 4.82 2.12 -0.49 -1.65 118.70 123.21 1u8r s GLU 198 Ca 0.04 -0.09 -0.30 0.00 0.36 0.00 0.00 54.97 54.97 1u8r s GLU 198 Cb -0.06 -0.39 -0.06 0.00 0.26 0.00 0.00 34.13 33.88 1u8r s GLU 198 CO 0.00 0.02 1.54 0.99 -0.54 0.00 0.00 175.26 177.27 1u8r s THR 199 N 0.23 3.56 0.74 -1.70 2.01 -1.26 -1.03 115.64 118.19 1u8r s THR 199 Ca -0.02 0.85 -0.12 0.00 0.31 0.00 0.00 61.69 62.72 1u8r s THR 199 Cb -0.05 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.94 1u8r s THR 199 CO -0.00 -0.03 1.12 0.28 -0.69 0.00 0.00 174.62 175.29 1u8r s THR 200 N 3.14 3.11 0.18 -0.82 -1.32 -0.98 -4.73 115.64 114.22 1u8r s THR 200 Ca 0.69 0.36 -0.13 0.00 -1.21 0.00 0.00 61.69 61.40 1u8r s THR 200 Cb -0.33 -3.34 0.08 0.00 -1.51 0.00 0.00 72.50 67.39 1u8r s THR 200 CO 0.28 -0.47 1.80 -0.65 -2.21 0.00 0.00 174.62 173.37 1u8r h PRO 201 N -0.78 0.54 -2.27 7.08 0.11 -1.95 -3.13 132.00 131.61 1u8r h PRO 201 Ca -0.45 -0.03 -0.43 0.00 0.11 0.00 0.00 66.00 65.20 1u8r h PRO 201 Cb 1.27 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 1u8r h PRO 201 CO 0.64 0.36 0.97 0.41 -0.21 0.00 0.00 178.00 180.17 1u8r n GLY 202 N -1.25 3.84 3.07 -0.55 0.00 -1.26 -4.72 105.19 104.32 1u8r n GLY 202 Ca 0.04 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 2.22 0.00 0.00 -0.02 0.00 -1.18 -4.55 105.19 101.66 1u8r n GLY 203 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.33 -1.20 3.33 -0.02 0.00 -1.25 -4.26 105.19 101.45 1u8r n GLY 204 Ca 0.00 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.40 -0.01 -0.19 1.61 1.01 -0.58 -2.32 120.40 119.52 1u8r s VAL 205 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1u8r s VAL 205 Cb 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1u8r s VAL 205 CO 0.00 0.02 -0.06 -0.89 0.00 0.00 0.00 175.10 174.16 1u8r s THR 206 N 0.76 3.38 -0.21 3.92 2.01 -0.19 -0.16 115.64 125.15 1u8r s THR 206 Ca -0.04 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1u8r s THR 206 Cb -0.05 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1u8r s THR 206 CO -0.06 0.46 0.19 -0.63 -0.69 0.00 0.00 174.62 173.89 1u8r s ILE 207 N 0.99 5.36 -0.39 1.82 1.01 0.16 -1.40 121.20 128.76 1u8r s ILE 207 Ca -0.00 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 1u8r s ILE 207 Cb -0.15 -3.53 0.06 0.00 0.01 0.00 0.00 42.46 38.86 1u8r s ILE 207 CO 0.00 0.38 0.20 -0.69 0.00 0.00 0.00 174.94 174.83 1u8r s VAL 208 N 0.72 4.12 -0.32 2.92 1.01 0.25 -2.21 120.40 126.89 1u8r s VAL 208 Ca 0.10 -1.25 -0.14 0.00 0.00 0.00 0.00 61.98 60.69 1u8r s VAL 208 Cb -0.13 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1u8r s VAL 208 CO 0.02 -0.37 0.33 -0.63 0.00 0.00 0.00 175.10 174.46 1u8r s ILE 209 N 1.43 5.20 -0.34 2.22 1.09 -1.26 -2.64 121.20 126.90 1u8r s ILE 209 Ca 0.02 0.14 -0.27 0.00 -1.10 0.00 0.00 60.65 59.44 1u8r s ILE 209 Cb -0.21 -3.75 -0.05 0.00 -1.06 0.00 0.00 42.46 37.38 1u8r s ILE 209 CO 0.03 0.01 2.25 -2.16 -0.10 0.00 0.00 174.94 174.96 1u8r s PRO 210 N 1.97 2.76 0.00 2.79 0.04 -1.26 -1.99 135.00 139.31 1u8r s PRO 210 Ca 0.11 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1u8r s PRO 210 Cb -0.16 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1u8r s PRO 210 CO 0.11 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 175.03 1u8r n GLY 211 N 5.83 2.11 3.55 0.56 0.00 -1.26 -5.09 105.19 110.88 1u8r n GLY 211 Ca 0.31 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.36 2.49 0.91 1.61 3.76 -0.84 -5.11 115.29 117.74 1u8r s HIS 212 Ca 0.00 -0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 54.48 1u8r s HIS 212 Cb 0.00 -1.11 -0.07 0.00 1.11 0.00 0.00 32.58 32.51 1u8r s HIS 212 CO 0.00 0.65 -0.17 0.39 -0.85 0.00 0.00 174.74 174.76 1u8r n GLU 213 N -0.64 -0.06 -1.67 1.40 -0.58 -1.26 -4.33 120.64 113.49 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 -1.40 0.05 0.00 -0.57 0.00 0.00 31.44 30.11 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 -1.41 5.44 -0.05 1.62 0.01 -1.26 -4.53 114.94 114.76 1u8r s ASN 214 Ca 0.50 1.46 -0.02 0.00 -0.71 0.00 0.00 52.86 54.09 1u8r s ASN 214 Cb -0.24 -2.35 0.04 0.00 0.41 0.00 0.00 41.25 39.11 1u8r s ASN 214 CO 0.73 -1.38 0.09 0.54 -1.51 0.00 0.00 177.10 175.57 1u8r s VAL 215 N -3.13 -0.14 -0.13 1.60 0.11 -0.94 -5.01 120.40 112.76 1u8r s VAL 215 Ca 0.58 0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 59.97 1u8r s VAL 215 Cb -0.13 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 1u8r s VAL 215 CO 0.54 0.15 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.54 1u8r s THR 216 N 2.00 3.90 -0.07 5.04 2.01 -1.26 -0.67 115.64 126.59 1u8r s THR 216 Ca 0.02 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 1u8r s THR 216 Cb -0.12 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1u8r s THR 216 CO -0.04 0.53 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.63 1u8r s LEU 217 N -0.07 3.35 0.83 4.42 1.43 0.78 -4.98 118.68 124.45 1u8r s LEU 217 Ca 0.02 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1u8r s LEU 217 Cb -0.13 -1.76 0.09 0.00 0.03 0.00 0.00 46.19 44.42 1u8r s LEU 217 CO 0.03 0.36 1.09 -2.84 0.23 0.00 0.00 176.35 175.22 1u8r s PRO 218 N -0.88 1.76 0.22 1.29 0.02 -1.26 -1.53 135.00 134.62 1u8r s PRO 218 Ca 0.13 0.92 -0.11 0.00 0.02 0.00 0.00 61.00 61.97 1u8r s PRO 218 Cb -0.11 -1.86 0.32 0.00 0.02 0.00 0.00 34.50 32.87 1u8r s PRO 218 CO 0.02 -1.92 1.63 1.25 -0.33 0.00 0.00 177.00 177.66 1u8r h HIS 219 N -1.32 -0.18 -0.11 6.54 -0.00 -1.80 -0.63 115.15 117.64 1u8r h HIS 219 Ca -0.47 0.05 0.02 0.00 -0.00 0.00 0.00 60.37 59.98 1u8r h HIS 219 Cb 1.26 0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 28.83 1u8r h HIS 219 CO 0.49 -0.24 -0.04 1.05 -0.00 0.00 0.00 177.93 179.18 1u8r h GLU 220 N 0.06 -0.03 -0.48 5.26 4.11 -1.91 -2.02 114.58 119.56 1u8r h GLU 220 Ca 0.35 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.76 1u8r h GLU 220 Cb 0.57 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1u8r h GLU 220 CO -0.64 -0.02 0.23 0.52 0.07 0.00 0.00 179.01 179.17 1u8r h MET 221 N -0.03 0.68 -0.61 1.06 2.86 -1.72 -2.36 114.93 114.81 1u8r h MET 221 Ca 0.06 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1u8r h MET 221 Cb 0.12 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1u8r h MET 221 CO -0.13 0.53 0.39 0.00 1.06 0.00 0.00 176.91 178.76 1u8r h ALA 222 N 1.58 0.78 0.00 6.32 0.00 -0.45 0.21 119.26 127.69 1u8r h ALA 222 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1u8r h ALA 222 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1u8r h ALA 222 CO -0.02 0.17 0.32 0.45 0.00 0.00 0.00 179.25 180.17 1u8r h HIS 223 N 0.79 0.00 -0.58 0.00 -0.00 -0.85 0.25 115.15 114.76 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 -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1u8r h HIS 223 CO -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.89 1u8r n ALA 224 N -1.73 3.17 -3.95 2.45 0.00 0.06 -4.55 120.51 115.95 1u8r n ALA 224 Ca -0.01 -1.71 -0.29 0.00 0.00 0.00 0.00 53.44 51.43 1u8r n ALA 224 Cb 0.36 -0.96 -0.17 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.07 1.32 -0.13 0.00 1.01 0.08 -2.10 120.40 118.50 1u8r s VAL 225 Ca 0.49 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1u8r s VAL 225 Cb 0.33 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1u8r s VAL 225 CO 0.21 0.32 0.09 -0.54 0.00 0.00 0.00 175.10 175.18 1u8r s LYS 226 N 1.57 3.54 0.33 2.72 1.02 -0.85 -1.57 119.74 126.50 1u8r s LYS 226 Ca 0.03 -0.25 0.04 0.00 0.02 0.00 0.00 55.97 55.81 1u8r s LYS 226 Cb -0.14 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1u8r s LYS 226 CO -0.09 0.60 0.16 0.14 -0.92 0.00 0.00 175.35 175.24 1u8r s VAL 227 N -0.54 0.38 -0.14 3.17 -7.23 0.78 -1.37 120.40 115.45 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 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.36 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 -3.75 2.52 -0.54 4.82 2.12 -0.95 -0.86 118.70 122.06 1u8r s GLU 228 Ca 0.33 -0.66 -0.26 0.00 0.36 0.00 0.00 54.97 54.75 1u8r s GLU 228 Cb 0.04 -2.18 -0.06 0.00 0.26 0.00 0.00 34.13 32.19 1u8r s GLU 228 CO 0.18 -0.14 2.27 0.15 -0.54 0.00 0.00 175.26 177.17 1u8r s LYS 229 N 1.19 2.21 0.00 4.30 1.02 -1.26 -1.88 119.74 125.32 1u8r s LYS 229 Ca -0.01 1.15 0.00 0.00 0.02 0.00 0.00 55.97 57.14 1u8r s LYS 229 Cb -0.14 -4.55 0.00 0.00 -0.52 0.00 0.00 37.83 32.62 1u8r s LYS 229 CO -0.07 -3.19 0.00 0.28 -0.92 0.00 0.00 175.35 171.45