#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 -0.02 3.17 2.85 -1.26 -4.96 115.26 115.03 1u8r n ASN 2 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 1u8r n ASN 2 Cb 0.00 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 40.94 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 -0.46 0.00 1.20 4.57 -2.04 -1.74 114.58 116.12 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 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1u8r h GLU 3 CO 0.00 -0.31 0.00 1.28 -1.18 0.00 0.00 179.01 178.80 1u8r n LEU 4 N -5.00 0.10 0.00 1.64 4.77 -1.26 -4.91 117.00 112.35 1u8r n LEU 4 Ca -0.05 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1u8r n LEU 4 Cb 0.32 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1u8r n LEU 4 CO 0.06 -0.17 0.00 0.52 -1.33 0.00 0.00 177.39 176.47 1u8r n VAL 5 N -1.61 0.00 -3.55 4.08 0.31 -0.65 -4.60 118.33 112.31 1u8r n VAL 5 Ca 0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.13 1u8r n VAL 5 Cb 0.26 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.04 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 2.55 0.04 4.52 3.68 -1.26 -4.86 116.67 121.34 1u8r s ASP 6 Ca 0.00 -0.80 -0.19 0.00 2.13 0.00 0.00 52.55 53.69 1u8r s ASP 6 Cb 0.00 -0.11 -0.09 0.00 -1.45 0.00 0.00 42.92 41.26 1u8r s ASP 6 CO 0.00 -0.38 1.29 0.74 0.13 0.00 0.00 175.17 176.95 1u8r h THR 7 N 6.39 0.00 -0.74 1.71 2.02 -2.00 -2.30 112.91 117.99 1u8r h THR 7 Ca -0.17 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.11 1u8r h THR 7 Cb 1.09 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.39 1u8r h THR 7 CO 0.35 0.00 -0.47 0.74 0.37 0.00 0.00 175.52 176.50 1u8r h THR 8 N -0.57 0.04 -0.63 3.16 2.02 -1.97 0.13 112.91 115.09 1u8r h THR 8 Ca -0.04 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.26 1u8r h THR 8 Cb 0.48 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.84 1u8r h THR 8 CO -0.00 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 175.70 1u8r h GLU 9 N -0.15 0.27 -0.11 6.66 5.08 -1.97 0.09 114.58 124.46 1u8r h GLU 9 Ca 0.20 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1u8r h GLU 9 Cb 0.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1u8r h GLU 9 CO -0.79 0.18 -0.13 0.52 -1.00 0.00 0.00 179.01 177.79 1u8r h MET 10 N 0.28 0.17 -0.21 2.33 2.86 -0.22 0.30 114.93 120.45 1u8r h MET 10 Ca 0.33 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.85 1u8r h MET 10 Cb 0.50 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1u8r h MET 10 CO -0.41 0.31 -0.21 1.88 1.06 0.00 0.00 176.91 179.54 1u8r h TYR 11 N 0.17 0.61 0.14 -0.22 -1.99 0.51 -1.01 116.97 115.18 1u8r h TYR 11 Ca 0.03 -0.18 -0.01 0.00 2.00 0.00 0.00 58.73 60.57 1u8r h TYR 11 Cb 0.33 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 38.94 1u8r h TYR 11 CO 0.00 0.86 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.89 1u8r h LEU 12 N 0.18 -0.16 -1.57 3.88 3.38 -0.50 -1.56 115.31 118.97 1u8r h LEU 12 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1u8r h LEU 12 Cb 0.76 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1u8r h LEU 12 CO 0.05 -0.11 0.10 -0.09 0.09 0.00 0.00 178.44 178.48 1u8r h ARG 13 N -0.19 0.38 -0.28 1.13 1.12 -0.97 -1.06 114.38 114.53 1u8r h ARG 13 Ca -0.02 -0.04 -0.12 0.00 -1.11 0.00 0.00 59.98 58.68 1u8r h ARG 13 Cb 0.14 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.02 1u8r h ARG 13 CO 0.03 0.33 -0.35 1.15 -3.11 0.00 0.00 179.97 178.03 1u8r h THR 14 N 0.38 1.29 0.16 0.20 2.02 -0.85 0.31 112.91 116.42 1u8r h THR 14 Ca 0.10 -1.48 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 1u8r h THR 14 Cb 0.10 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1u8r h THR 14 CO -0.01 0.47 -0.08 0.40 0.37 0.00 0.00 175.52 176.67 1u8r h ILE 15 N 0.51 0.83 0.20 3.11 1.08 -0.23 -0.68 117.51 122.32 1u8r h ILE 15 Ca 0.05 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 1u8r h ILE 15 Cb 0.84 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 1u8r h ILE 15 CO 0.07 0.00 -0.26 0.22 -0.69 0.00 0.00 178.15 177.49 1u8r h TYR 16 N -0.22 -0.69 -0.68 1.37 5.03 -1.02 -2.33 116.97 118.43 1u8r h TYR 16 Ca -0.02 0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.45 1u8r h TYR 16 Cb 0.18 0.28 -0.12 0.00 1.55 0.00 0.00 36.73 38.62 1u8r h TYR 16 CO -0.07 -0.37 0.01 -0.44 -1.32 0.00 0.00 178.16 175.96 1u8r h ASP 17 N -0.51 -0.30 -0.66 -2.11 3.32 -0.10 0.82 116.42 116.87 1u8r h ASP 17 Ca 0.01 0.17 0.04 0.00 0.02 0.00 0.00 57.03 57.27 1u8r h ASP 17 Cb 0.50 0.30 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 1u8r h ASP 17 CO -0.10 -0.14 0.40 -0.07 -1.72 0.00 0.00 179.24 177.62 1u8r h LEU 18 N 0.12 0.65 -0.29 1.55 3.38 -0.82 -1.02 115.31 118.88 1u8r h LEU 18 Ca 0.36 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.36 1u8r h LEU 18 Cb 0.61 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1u8r h LEU 18 CO -0.59 0.44 0.15 -0.33 0.09 0.00 0.00 178.44 178.21 1u8r h GLU 19 N 0.78 0.31 -0.60 1.13 5.08 -0.37 -0.27 114.58 120.64 1u8r h GLU 19 Ca 0.27 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 1u8r h GLU 19 Cb 0.06 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1u8r h GLU 19 CO -0.12 0.21 0.41 1.49 -1.00 0.00 0.00 179.01 179.99 1u8r h GLU 20 N 0.32 0.34 -0.00 2.33 4.81 -0.52 0.27 114.58 122.13 1u8r h GLU 20 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1u8r h GLU 20 Cb 0.02 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1u8r h GLU 20 CO -0.07 0.23 -0.22 0.39 -0.73 0.00 0.00 179.01 178.61 1u8r n GLU 21 N -4.46 0.18 -1.74 1.92 1.02 -0.44 -4.93 120.64 112.19 1u8r n GLU 21 Ca 0.10 -0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 57.11 1u8r n GLU 21 Cb 0.42 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 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 1.44 0.43 3.66 0.62 0.00 0.93 -4.75 105.19 107.52 1u8r n GLY 22 Ca 0.08 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.30 3.80 0.05 1.61 -7.23 -0.63 -5.02 120.40 110.68 1u8r s VAL 23 Ca 0.00 -1.20 -0.31 0.00 -1.81 0.00 0.00 61.98 58.66 1u8r s VAL 23 Cb 0.00 -2.85 -0.07 0.00 0.56 0.00 0.00 36.38 34.02 1u8r s VAL 23 CO 0.00 0.03 1.50 -0.89 -0.31 0.00 0.00 175.10 175.43 1u8r s THR 24 N -1.46 3.36 -1.16 5.32 2.01 -1.26 -4.20 115.64 118.25 1u8r s THR 24 Ca 0.26 0.81 -0.23 0.00 0.31 0.00 0.00 61.69 62.84 1u8r s THR 24 Cb -0.11 -3.52 -0.11 0.00 0.01 0.00 0.00 72.50 68.77 1u8r s THR 24 CO 0.18 0.01 1.95 -2.65 -0.69 0.00 0.00 174.62 173.41 1u8r n PRO 25 N 5.25 1.46 -3.86 4.92 -0.02 -1.26 -4.94 135.00 136.54 1u8r n PRO 25 Ca 0.14 -2.38 -0.24 0.00 -2.02 0.00 0.00 63.50 59.00 1u8r n PRO 25 Cb 0.42 -3.73 -0.02 0.00 -0.02 0.00 0.00 33.50 30.15 1u8r n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u8r s LEU 26 N 11.31 4.28 0.29 2.45 1.43 -1.26 0.48 118.68 137.67 1u8r s LEU 26 Ca 0.69 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 1u8r s LEU 26 Cb -0.00 -2.97 0.46 0.00 0.03 0.00 0.00 46.19 43.71 1u8r s LEU 26 CO 0.14 -0.05 1.81 0.03 0.23 0.00 0.00 176.35 178.52 1u8r h ARG 27 N 1.58 0.66 -0.80 1.70 3.08 -1.93 -1.70 114.38 116.98 1u8r h ARG 27 Ca -0.50 -0.16 0.09 0.00 0.07 0.00 0.00 59.98 59.48 1u8r h ARG 27 Cb 1.21 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 1u8r h ARG 27 CO 0.65 0.68 0.52 0.00 -1.07 0.00 0.00 179.97 180.75 1u8r h ALA 28 N 1.37 1.75 0.14 0.04 0.00 -1.97 -1.90 119.26 118.69 1u8r h ALA 28 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1u8r h ALA 28 Cb 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u8r h ALA 28 CO 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 179.25 179.29 1u8r h ARG 29 N 0.74 -0.18 -0.70 0.00 2.47 -1.67 -2.47 114.38 112.57 1u8r h ARG 29 Ca 0.37 0.01 0.10 0.00 -1.26 0.00 0.00 59.98 59.20 1u8r h ARG 29 Cb 0.44 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.72 1u8r h ARG 29 CO -0.14 0.00 0.32 0.82 0.56 0.00 0.00 179.97 181.53 1u8r h ILE 30 N -0.33 0.80 -0.51 2.04 2.04 -1.29 -1.22 117.51 119.05 1u8r h ILE 30 Ca -0.02 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1u8r h ILE 30 Cb 0.26 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 1u8r h ILE 30 CO 0.03 0.10 0.21 0.00 0.00 0.00 0.00 178.15 178.49 1u8r h ALA 31 N 1.44 0.64 0.82 1.87 0.00 -1.22 0.19 119.26 123.01 1u8r h ALA 31 Ca 0.35 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 1u8r h ALA 31 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1u8r h ALA 31 CO -0.30 -0.17 -0.42 0.93 0.00 0.00 0.00 179.25 179.30 1u8r h GLU 32 N 0.42 -1.10 -0.33 0.00 5.08 -0.83 0.31 114.58 118.13 1u8r h GLU 32 Ca 0.24 0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1u8r h GLU 32 Cb 0.22 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1u8r h GLU 32 CO -0.21 -0.73 0.04 0.00 -1.00 0.00 0.00 179.01 177.11 1u8r h ARG 33 N -1.14 0.49 -0.34 2.33 3.08 -0.99 -2.52 114.38 115.29 1u8r h ARG 33 Ca -0.11 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1u8r h ARG 33 Cb 0.88 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1u8r h ARG 33 CO 0.16 0.49 0.00 1.28 -1.07 0.00 0.00 179.97 180.83 1u8r n LEU 34 N -4.32 3.24 -3.75 3.04 4.77 0.66 -4.97 117.00 115.66 1u8r n LEU 34 Ca 0.02 -1.36 -0.24 0.00 -0.03 0.00 0.00 56.01 54.39 1u8r n LEU 34 Cb 0.20 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1u8r n LEU 34 CO 0.38 0.68 -0.11 -0.67 -1.33 0.00 0.00 177.39 176.34 1u8r n ASP 35 N 1.36 -2.01 -4.35 -1.43 -0.08 0.04 -5.01 116.55 105.07 1u8r n ASP 35 Ca 0.19 -0.91 -0.20 0.00 -1.51 0.00 0.00 54.79 52.36 1u8r n ASP 35 Cb 0.58 -3.69 -0.10 0.00 2.34 0.00 0.00 41.12 40.24 1u8r n ASP 35 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1u8r s GLN 36 N -6.06 1.34 0.66 -0.67 -0.21 -0.81 -5.05 119.66 108.85 1u8r s GLN 36 Ca 0.12 -1.55 -0.14 0.00 0.02 0.00 0.00 55.36 53.81 1u8r s GLN 36 Cb -0.04 -1.23 -0.00 0.00 1.00 0.00 0.00 33.01 32.74 1u8r s GLN 36 CO 0.84 0.22 1.10 -1.54 -2.12 0.00 0.00 175.29 173.79 1u8r s SER 37 N -3.13 5.18 0.11 5.90 1.04 -1.26 -4.62 113.70 116.92 1u8r s SER 37 Ca 0.21 1.93 -0.32 0.00 0.48 0.00 0.00 55.95 58.25 1u8r s SER 37 Cb -0.03 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.44 1u8r s SER 37 CO 0.07 -1.58 1.58 1.23 0.98 0.00 0.00 173.24 175.52 1u8r h GLY 38 N -0.04 -0.95 -0.26 7.32 0.00 -1.97 -0.85 103.07 106.33 1u8r h GLY 38 Ca -0.46 0.55 0.22 0.00 0.00 0.00 0.00 47.33 47.64 1u8r h GLY 38 CO 0.55 -0.27 0.32 -2.55 0.00 0.00 0.00 176.54 174.58 1u8r h PRO 39 N -0.69 0.31 0.64 4.80 0.11 -1.99 -0.58 132.00 134.60 1u8r h PRO 39 Ca 0.01 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1u8r h PRO 39 Cb 0.71 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 1u8r h PRO 39 CO -0.26 0.21 -0.37 1.15 -0.21 0.00 0.00 178.00 178.51 1u8r h THR 40 N 0.32 0.25 -0.71 -1.15 2.02 -1.55 -1.38 112.91 110.71 1u8r h THR 40 Ca 0.54 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.79 1u8r h THR 40 Cb 1.03 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 1u8r h THR 40 CO -0.56 0.00 0.47 -0.37 0.37 0.00 0.00 175.52 175.42 1u8r h VAL 41 N -0.94 0.98 0.77 3.16 -1.51 -0.37 0.04 116.25 118.37 1u8r h VAL 41 Ca -0.08 -0.23 -0.04 0.00 -1.23 0.00 0.00 66.70 65.12 1u8r h VAL 41 Cb 0.76 0.25 0.01 0.00 -2.13 0.00 0.00 31.29 30.17 1u8r h VAL 41 CO 0.10 0.12 -0.37 0.28 -1.23 0.00 0.00 177.57 176.47 1u8r h SER 42 N 0.67 -0.88 -0.97 4.19 0.02 -0.80 0.67 113.55 116.45 1u8r h SER 42 Ca 0.32 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.38 1u8r h SER 42 Cb 0.36 0.23 -0.07 0.00 0.14 0.00 0.00 62.40 63.06 1u8r h SER 42 CO -0.11 -0.61 0.62 -0.61 -1.14 0.00 0.00 176.83 174.99 1u8r h GLN 43 N -1.07 1.02 -0.47 3.45 4.15 -0.73 -0.65 115.11 120.81 1u8r h GLN 43 Ca -0.11 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.12 1u8r h GLN 43 Cb 0.80 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1u8r h GLN 43 CO 0.17 0.67 -0.23 1.15 -1.93 0.00 0.00 178.83 178.67 1u8r h THR 44 N 1.05 1.27 0.01 2.39 2.02 -0.79 -2.45 112.91 116.41 1u8r h THR 44 Ca 0.44 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1u8r h THR 44 Cb 0.31 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1u8r h THR 44 CO -0.19 0.48 -0.02 0.58 0.37 0.00 0.00 175.52 176.74 1u8r h VAL 45 N 0.83 0.95 -0.29 3.16 2.07 0.06 -1.75 116.25 121.29 1u8r h VAL 45 Ca 0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1u8r h VAL 45 Cb 0.81 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1u8r h VAL 45 CO 0.07 0.00 -0.39 0.28 0.02 0.00 0.00 177.57 177.55 1u8r h SER 46 N -0.04 -1.31 -0.95 0.57 0.02 -1.00 0.81 113.55 111.66 1u8r h SER 46 Ca 0.00 0.17 0.29 0.00 -0.84 0.00 0.00 61.79 61.41 1u8r h SER 46 Cb 0.04 0.54 -0.16 0.00 0.14 0.00 0.00 62.40 62.96 1u8r h SER 46 CO -0.01 -0.28 0.25 0.03 -1.14 0.00 0.00 176.83 175.68 1u8r h ARG 47 N -0.27 0.11 -0.32 3.45 3.08 -1.22 0.51 114.38 119.72 1u8r h ARG 47 Ca 0.05 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1u8r h ARG 47 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1u8r h ARG 47 CO -0.42 0.07 0.11 0.52 -1.07 0.00 0.00 179.97 179.18 1u8r h MET 48 N 0.12 0.49 -0.84 0.04 2.86 0.81 -1.81 114.93 116.60 1u8r h MET 48 Ca 0.64 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 58.16 1u8r h MET 48 Cb 1.40 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.95 1u8r h MET 48 CO -0.76 0.52 0.49 1.49 1.06 0.00 0.00 176.91 179.71 1u8r h GLU 49 N 0.37 1.16 0.00 1.72 4.81 0.48 -0.78 114.58 122.34 1u8r h GLU 49 Ca 0.11 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1u8r h GLU 49 Cb 0.23 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1u8r h GLU 49 CO -0.01 0.83 -0.00 -0.09 -0.73 0.00 0.00 179.01 179.01 1u8r h ARG 50 N 1.16 0.00 -0.36 1.92 2.43 0.06 0.03 114.38 119.63 1u8r h ARG 50 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1u8r h ARG 50 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1u8r h ARG 50 CO -0.05 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.16 1u8r n ASP 51 N -3.10 3.90 -3.65 -3.80 8.00 -0.35 -4.98 116.55 112.57 1u8r n ASP 51 Ca -0.02 -2.68 -0.21 0.00 0.71 0.00 0.00 54.79 52.59 1u8r n ASP 51 Cb 0.12 -0.48 0.05 0.00 -0.02 0.00 0.00 41.12 40.79 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 0.05 -0.33 0.02 0.44 0.00 -0.00 -4.90 105.19 100.47 1u8r n GLY 52 Ca 0.20 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.29 0.00 -3.77 0.99 4.77 -0.91 -4.24 117.00 109.55 1u8r n LEU 53 Ca -0.27 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.65 1u8r n LEU 53 Cb 0.66 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 1u8r n LEU 53 CO 0.67 0.06 0.56 -1.48 -1.33 0.00 0.00 177.39 175.87 1u8r s LEU 54 N -4.19 -0.26 0.03 2.23 0.05 -1.26 -1.95 118.68 113.32 1u8r s LEU 54 Ca -0.06 -0.46 0.02 0.00 0.05 0.00 0.00 54.13 53.69 1u8r s LEU 54 Cb 0.08 2.49 -0.02 0.00 -2.05 0.00 0.00 46.19 46.70 1u8r s LEU 54 CO 0.60 -1.13 -0.07 -0.13 -0.55 0.00 0.00 176.35 175.06 1u8r s ARG 55 N -3.66 0.52 -0.38 1.48 0.52 0.14 -4.22 118.95 113.35 1u8r s ARG 55 Ca 0.10 -0.60 -0.17 0.00 -0.52 0.00 0.00 55.73 54.55 1u8r s ARG 55 Cb -0.04 -0.35 0.01 0.00 0.52 0.00 0.00 34.95 35.09 1u8r s ARG 55 CO 0.03 0.08 0.43 0.08 0.02 0.00 0.00 175.30 175.93 1u8r s VAL 56 N -1.00 5.10 0.28 3.52 1.01 -1.26 -0.83 120.40 127.21 1u8r s VAL 56 Ca -0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 1u8r s VAL 56 Cb -0.08 -3.96 0.07 0.00 0.00 0.00 0.00 36.38 32.41 1u8r s VAL 56 CO 0.00 -0.29 0.20 0.00 0.00 0.00 0.00 175.10 175.02 1u8r n ALA 57 N 5.56 -0.90 -0.08 5.51 0.00 -0.15 -4.83 120.51 125.62 1u8r n ALA 57 Ca -0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 52.92 1u8r n ALA 57 Cb 0.48 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.26 0.52 0.82 0.00 0.00 -1.97 -2.56 103.07 98.63 1u8r h GLY 58 Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1u8r h GLY 58 CO 0.05 0.43 0.00 2.09 0.00 0.00 0.00 176.54 179.11 1u8r n ASP 59 N -4.51 0.00 0.00 0.19 5.68 -1.26 -4.86 116.55 111.80 1u8r n ASP 59 Ca -0.04 -0.96 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1u8r n ASP 59 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 -0.91 0.00 -2.96 0.11 1.74 -0.96 -5.04 116.66 108.63 1u8r n ARG 60 Ca 0.16 0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.95 1u8r n ARG 60 Cb 0.07 -2.87 -0.06 0.00 -1.02 0.00 0.00 32.46 28.58 1u8r n ARG 60 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1u8r s HIS 61 N -2.00 3.38 -0.10 -1.55 -3.43 -1.26 -4.62 115.29 105.71 1u8r s HIS 61 Ca 0.00 1.31 -0.25 0.00 -0.80 0.00 0.00 55.06 55.32 1u8r s HIS 61 Cb 0.00 -2.62 -0.03 0.00 -1.43 0.00 0.00 32.58 28.51 1u8r s HIS 61 CO 0.00 -0.02 0.78 -0.51 -2.00 0.00 0.00 174.74 172.99 1u8r s LEU 62 N -3.25 4.26 -0.17 5.38 1.43 0.18 -0.98 118.68 125.53 1u8r s LEU 62 Ca 0.56 1.23 -0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1u8r s LEU 62 Cb -0.10 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1u8r s LEU 62 CO 0.19 -0.25 -0.14 -0.70 0.23 0.00 0.00 176.35 175.69 1u8r s GLU 63 N 1.38 3.20 0.03 1.70 2.56 -0.01 -4.76 118.70 122.80 1u8r s GLU 63 Ca 0.39 -0.74 -0.30 0.00 0.00 0.00 0.00 54.97 54.32 1u8r s GLU 63 Cb -0.18 -2.70 -0.04 0.00 2.00 0.00 0.00 34.13 33.22 1u8r s GLU 63 CO 0.17 -0.08 1.03 -0.51 -0.56 0.00 0.00 175.26 175.31 1u8r s LEU 64 N 1.06 4.38 1.11 2.70 1.43 -1.26 0.25 118.68 128.35 1u8r s LEU 64 Ca -0.01 1.77 -0.18 0.00 -1.03 0.00 0.00 54.13 54.68 1u8r s LEU 64 Cb -0.15 -3.57 0.26 0.00 0.03 0.00 0.00 46.19 42.76 1u8r s LEU 64 CO -0.04 -0.29 1.21 0.42 0.23 0.00 0.00 176.35 177.89 1u8r s THR 65 N 0.90 1.76 0.15 5.49 -4.23 -0.82 -4.64 115.64 114.25 1u8r s THR 65 Ca 0.53 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.81 1u8r s THR 65 Cb -0.23 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 70.90 1u8r s THR 65 CO 0.29 0.00 1.63 -0.08 -0.54 0.00 0.00 174.62 175.91 1u8r h GLU 66 N -2.20 -0.26 0.60 3.99 4.57 -1.89 -0.95 114.58 118.44 1u8r h GLU 66 Ca -0.44 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.73 1u8r h GLU 66 Cb 1.26 0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.92 1u8r h GLU 66 CO 0.34 -0.17 -0.29 -0.22 -1.18 0.00 0.00 179.01 177.48 1u8r h LYS 67 N -0.27 -0.78 -0.62 1.92 3.64 -1.90 -2.79 116.57 115.77 1u8r h LYS 67 Ca 0.13 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.69 1u8r h LYS 67 Cb 0.47 0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 32.36 1u8r h LYS 67 CO -0.37 -0.50 -0.00 0.78 -2.27 0.00 0.00 179.45 177.08 1u8r h GLY 68 N -0.85 0.66 0.97 5.01 0.00 -1.56 -1.79 103.07 105.51 1u8r h GLY 68 Ca -0.08 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1u8r h GLY 68 CO 0.14 -0.20 0.22 -0.09 0.00 0.00 0.00 176.54 176.60 1u8r h ARG 69 N 0.11 0.53 -0.99 4.80 2.43 -1.15 -0.33 114.38 119.79 1u8r h ARG 69 Ca 0.33 -0.06 0.18 0.00 -0.81 0.00 0.00 59.98 59.61 1u8r h ARG 69 Cb 0.53 -0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 29.87 1u8r h ARG 69 CO -0.54 0.43 0.62 0.00 -1.51 0.00 0.00 179.97 178.96 1u8r h ALA 70 N 1.08 1.70 -0.01 2.80 0.00 -1.05 0.05 119.26 123.82 1u8r h ALA 70 Ca 0.14 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 1u8r h ALA 70 Cb 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1u8r h ALA 70 CO -0.02 -0.03 -0.68 1.25 0.00 0.00 0.00 179.25 179.77 1u8r h LEU 71 N 0.78 0.62 -0.50 0.00 6.46 -1.14 -2.39 115.31 119.13 1u8r h LEU 71 Ca 0.55 -0.74 0.09 0.00 -0.12 0.00 0.00 57.88 57.66 1u8r h LEU 71 Cb 0.84 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.51 1u8r h LEU 71 CO -0.33 1.28 0.08 0.00 -0.62 0.00 0.00 178.44 178.85 1u8r h ALA 72 N 0.35 0.55 -0.26 1.25 0.00 0.14 -0.32 119.26 120.97 1u8r h ALA 72 Ca -0.08 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1u8r h ALA 72 Cb 1.37 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1u8r h ALA 72 CO 0.13 -0.33 0.13 0.82 0.00 0.00 0.00 179.25 180.01 1u8r h ILE 73 N 0.21 1.14 -0.83 0.00 2.04 -1.06 -1.32 117.51 117.70 1u8r h ILE 73 Ca 0.25 -0.39 0.13 0.00 1.00 0.00 0.00 64.86 65.86 1u8r h ILE 73 Cb 0.35 0.93 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 1u8r h ILE 73 CO -0.35 0.14 0.43 0.00 0.00 0.00 0.00 178.15 178.37 1u8r h ALA 74 N 0.99 1.23 0.45 1.87 0.00 -0.73 0.57 119.26 123.64 1u8r h ALA 74 Ca 0.09 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1u8r h ALA 74 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1u8r h ALA 74 CO -0.01 -0.06 -0.22 0.28 0.00 0.00 0.00 179.25 179.24 1u8r h VAL 75 N 0.64 0.47 -1.06 0.00 2.07 -0.66 -2.54 116.25 115.17 1u8r h VAL 75 Ca 0.44 -0.42 0.28 0.00 0.82 0.00 0.00 66.70 67.82 1u8r h VAL 75 Cb 0.58 0.64 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 1u8r h VAL 75 CO -0.34 0.07 0.66 -0.03 0.02 0.00 0.00 177.57 177.95 1u8r h MET 76 N -0.89 0.39 0.29 1.57 -1.53 -0.56 -0.04 114.93 114.16 1u8r h MET 76 Ca -0.06 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.16 1u8r h MET 76 Cb 0.57 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.54 1u8r h MET 76 CO 0.10 0.26 -0.14 -0.09 0.14 0.00 0.00 176.91 177.18 1u8r h ARG 77 N 0.40 -0.37 -0.80 0.39 2.43 -0.77 -1.61 114.38 114.05 1u8r h ARG 77 Ca 0.65 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.86 1u8r h ARG 77 Cb 1.56 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 31.16 1u8r h ARG 77 CO -0.39 -0.13 0.52 0.87 -1.51 0.00 0.00 179.97 179.33 1u8r h LYS 78 N -0.58 1.00 0.15 0.20 1.57 -0.80 -0.44 116.57 117.68 1u8r h LYS 78 Ca -0.04 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1u8r h LYS 78 Cb 0.42 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 1u8r h LYS 78 CO 0.07 0.66 -0.51 1.25 -0.57 0.00 0.00 179.45 180.35 1u8r h HIS 79 N 1.03 -1.47 -0.46 -1.35 2.76 -0.86 -0.85 115.15 113.95 1u8r h HIS 79 Ca 0.31 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.43 1u8r h HIS 79 Cb -0.05 0.62 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 1u8r h HIS 79 CO -0.02 -0.60 -0.04 0.00 -1.30 0.00 0.00 177.93 175.97 1u8r h ARG 80 N -0.76 0.78 -0.49 5.26 3.08 -0.97 -1.78 114.38 119.50 1u8r h ARG 80 Ca -0.01 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 1u8r h ARG 80 Cb 0.76 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1u8r h ARG 80 CO -0.26 0.81 0.22 -0.07 -1.07 0.00 0.00 179.97 179.60 1u8r h LEU 81 N 0.72 0.61 -0.26 3.04 3.38 -0.84 -1.64 115.31 120.32 1u8r h LEU 81 Ca 0.13 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1u8r h LEU 81 Cb 0.50 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1u8r h LEU 81 CO 0.03 0.54 -0.12 0.00 0.09 0.00 0.00 178.44 178.98 1u8r h ALA 82 N 1.56 0.36 -0.72 1.53 0.00 -0.64 -0.84 119.26 120.51 1u8r h ALA 82 Ca 0.17 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1u8r h ALA 82 Cb 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1u8r h ALA 82 CO -0.02 0.22 0.47 0.93 0.00 0.00 0.00 179.25 180.86 1u8r h GLU 83 N 0.27 0.79 0.86 0.00 5.08 -1.03 0.51 114.58 121.05 1u8r h GLU 83 Ca 0.06 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1u8r h GLU 83 Cb 0.62 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1u8r h GLU 83 CO 0.04 0.52 -0.41 0.00 -1.00 0.00 0.00 179.01 178.15 1u8r h ARG 84 N 0.81 -1.11 -0.97 2.33 2.47 -0.84 -1.84 114.38 115.23 1u8r h ARG 84 Ca 0.30 0.08 0.17 0.00 -1.26 0.00 0.00 59.98 59.26 1u8r h ARG 84 Cb 0.16 0.25 -0.10 0.00 -1.65 0.00 0.00 29.97 28.64 1u8r h ARG 84 CO -0.09 -0.74 0.58 1.25 0.56 0.00 0.00 179.97 181.52 1u8r h LEU 85 N -1.19 0.76 -0.71 3.04 5.85 -0.26 -0.95 115.31 121.85 1u8r h LEU 85 Ca -0.12 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1u8r h LEU 85 Cb 0.88 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1u8r h LEU 85 CO 0.19 0.30 0.18 -0.07 -0.34 0.00 0.00 178.44 178.71 1u8r h LEU 86 N 0.77 1.08 0.00 2.25 3.38 0.16 -1.83 115.31 121.12 1u8r h LEU 86 Ca 0.54 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1u8r h LEU 86 Cb 0.78 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1u8r h LEU 86 CO -0.36 1.02 -0.00 0.58 0.09 0.00 0.00 178.44 179.77 1u8r h VAL 87 N 1.07 1.44 0.50 1.22 2.07 -0.63 0.15 116.25 122.07 1u8r h VAL 87 Ca 0.22 -2.07 -0.02 0.00 0.82 0.00 0.00 66.70 65.65 1u8r h VAL 87 Cb 0.36 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1u8r h VAL 87 CO 0.00 0.49 -0.24 0.44 0.02 0.00 0.00 177.57 178.28 1u8r h ASP 88 N -1.00 -0.57 0.00 0.57 3.32 -1.31 -3.27 116.42 114.16 1u8r h ASP 88 Ca -0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1u8r h ASP 88 Cb 0.80 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1u8r h ASP 88 CO 0.00 -0.17 -0.09 0.58 -1.72 0.00 0.00 179.24 177.85 1u8r h VAL 89 N -1.10 0.00 -1.00 -1.35 2.07 -1.65 -3.39 116.25 109.84 1u8r h VAL 89 Ca -0.07 -0.28 0.21 0.00 0.82 0.00 0.00 66.70 67.38 1u8r h VAL 89 Cb 0.58 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 1u8r h VAL 89 CO 0.11 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.72 1u8r h ILE 90 N -0.28 0.66 0.00 4.57 1.08 -1.47 -3.46 117.51 118.61 1u8r h ILE 90 Ca 0.00 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1u8r h ILE 90 Cb 0.09 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.80 1u8r h ILE 90 CO 0.00 0.12 0.00 0.61 -0.69 0.00 0.00 178.15 178.19 1u8r n GLY 91 N -1.37 0.55 3.76 5.37 0.00 -0.55 -5.01 105.19 107.93 1u8r n GLY 91 Ca 0.24 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 0.33 0.99 2.96 0.43 -4.98 118.68 122.93 1u8r s LEU 92 Ca 0.00 2.10 -0.28 0.00 -0.22 0.00 0.00 54.13 55.73 1u8r s LEU 92 Cb 0.00 -3.72 -0.13 0.00 0.50 0.00 0.00 46.19 42.85 1u8r s LEU 92 CO 0.00 -0.07 1.21 -0.81 -1.32 0.00 0.00 176.35 175.36 1u8r n PRO 93 N 1.10 1.91 -0.25 0.98 -0.04 -1.26 -4.37 135.00 133.06 1u8r n PRO 93 Ca -0.00 0.67 -0.11 0.00 -0.04 0.00 0.00 63.50 64.01 1u8r n PRO 93 Cb 0.47 -2.20 -0.09 0.00 -0.04 0.00 0.00 33.50 31.64 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 2.38 -1.61 0.00 0.54 7.01 -1.96 -1.12 115.95 121.18 1u8r h TRP 94 Ca -0.44 0.10 0.00 0.00 2.11 0.00 0.00 58.89 60.65 1u8r h TRP 94 Cb 1.30 0.79 0.00 0.00 -2.10 0.00 0.00 29.16 29.14 1u8r h TRP 94 CO 0.50 -0.38 0.00 -0.85 -2.79 0.00 0.00 178.44 174.91 1u8r n GLU 95 N -5.04 0.45 0.00 2.65 0.00 -1.26 -2.52 120.64 114.92 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 0.27 -1.18 0.00 0.00 0.00 0.00 0.00 31.44 30.53 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 0.10 2.50 -0.10 3.44 1.02 -0.44 -4.82 120.64 122.34 1u8r n GLU 96 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1u8r n GLU 96 Cb 0.09 -0.79 0.13 0.00 -0.02 0.00 0.00 31.44 30.84 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 0.32 2.62 -1.51 -1.28 -3.09 116.25 114.57 1u8r h VAL 97 Ca 0.00 -1.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 1u8r h VAL 97 Cb 0.01 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 30.18 1u8r h VAL 97 CO 0.00 0.40 -0.35 -0.74 -1.23 0.00 0.00 177.57 175.65 1u8r h HIS 98 N 0.71 -0.94 -0.49 5.19 -0.00 -1.88 0.16 115.15 117.91 1u8r h HIS 98 Ca 0.12 0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.61 1u8r h HIS 98 Cb 0.59 0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 28.34 1u8r h HIS 98 CO 0.03 -0.48 0.34 0.00 -0.00 0.00 0.00 177.93 177.81 1u8r h ALA 99 N -0.21 2.21 -0.07 5.26 0.00 -1.88 0.28 119.26 124.85 1u8r h ALA 99 Ca -0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1u8r h ALA 99 Cb 0.65 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1u8r h ALA 99 CO -0.08 -0.34 -0.39 1.49 0.00 0.00 0.00 179.25 179.93 1u8r h GLU 100 N 0.18 0.39 -0.06 0.00 4.57 -1.34 -3.21 114.58 115.12 1u8r h GLU 100 Ca 0.23 -0.33 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 1u8r h GLU 100 Cb 0.66 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1u8r h GLU 100 CO -0.04 0.97 -0.25 0.00 -1.18 0.00 0.00 179.01 178.52 1u8r h ALA 101 N 0.43 1.48 0.00 2.92 0.00 0.33 -2.16 119.26 122.26 1u8r h ALA 101 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u8r h ALA 101 Cb 1.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1u8r h ALA 101 CO 0.08 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1u8r n ARG 103 N -2.83 0.57 0.20 0.00 1.74 -0.87 -4.47 116.66 111.00 1u8r n ARG 103 Ca -0.02 0.15 0.05 0.00 -0.77 0.00 0.00 57.85 57.26 1u8r n ARG 103 Cb 0.06 -1.45 0.50 0.00 -1.02 0.00 0.00 32.46 30.56 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 -0.18 0.06 -0.01 -1.55 4.06 -0.94 -2.68 115.95 114.71 1u8r h TRP 104 Ca -0.54 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.41 1u8r h TRP 104 Cb 1.75 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 29.89 1u8r h TRP 104 CO 0.00 0.19 0.13 1.05 -3.56 0.00 0.00 178.44 176.26 1u8r h GLU 105 N 0.06 0.00 -0.45 0.49 4.11 -1.13 -0.49 114.58 117.17 1u8r h GLU 105 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1u8r h GLU 105 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 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 -3.07 0.58 0.00 2.06 8.25 -1.01 -4.47 115.22 117.55 1u8r n HIS 106 Ca -0.02 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 1u8r n HIS 106 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1u8r n HIS 106 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1u8r n VAL 107 N 1.40 0.00 -2.04 1.59 0.24 -0.24 -5.00 118.33 114.27 1u8r n VAL 107 Ca 0.20 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.34 61.98 1u8r n VAL 107 Cb 0.58 0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 33.62 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 -0.40 4.25 0.82 7.34 -1.94 -0.91 -4.99 119.30 123.46 1u8r s MET 108 Ca 0.00 2.21 -0.12 0.00 -1.71 0.00 0.00 55.69 56.07 1u8r s MET 108 Cb 0.00 -3.42 0.08 0.00 2.01 0.00 0.00 34.83 33.50 1u8r s MET 108 CO 0.00 -0.61 1.11 -1.54 -0.01 0.00 0.00 175.02 173.97 1u8r s SER 109 N 1.75 4.34 0.28 3.03 1.04 -1.26 -4.94 113.70 117.93 1u8r s SER 109 Ca 0.69 1.19 0.06 0.00 0.48 0.00 0.00 55.95 58.37 1u8r s SER 109 Cb -0.38 -1.89 0.39 0.00 0.10 0.00 0.00 66.02 64.24 1u8r s SER 109 CO 0.30 -2.05 1.66 -0.08 0.98 0.00 0.00 173.24 174.05 1u8r h GLU 110 N -1.15 0.25 0.35 4.02 4.81 -2.00 -2.69 114.58 118.17 1u8r h GLU 110 Ca -0.48 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.60 1u8r h GLU 110 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1u8r h GLU 110 CO 0.60 0.66 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.94 1u8r h ASP 111 N 0.21 -0.39 -0.40 1.04 3.45 -2.01 -1.78 116.42 116.54 1u8r h ASP 111 Ca 0.01 -0.04 0.12 0.00 0.43 0.00 0.00 57.03 57.54 1u8r h ASP 111 Cb 0.89 0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.75 1u8r h ASP 111 CO 0.07 -0.21 0.30 0.58 -1.57 0.00 0.00 179.24 178.41 1u8r h VAL 112 N -0.56 0.75 0.55 -1.35 2.07 -1.93 -2.21 116.25 113.57 1u8r h VAL 112 Ca -0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1u8r h VAL 112 Cb 0.41 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1u8r h VAL 112 CO 0.08 0.00 -0.26 -0.33 0.02 0.00 0.00 177.57 177.08 1u8r h GLU 113 N 0.00 -0.71 -0.76 1.57 5.08 -1.00 -1.45 114.58 117.32 1u8r h GLU 113 Ca 0.19 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.72 1u8r h GLU 113 Cb 0.78 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 30.06 1u8r h GLU 113 CO -0.00 -0.47 -0.38 0.00 -1.00 0.00 0.00 179.01 177.15 1u8r h ARG 114 N -0.77 -0.10 -0.23 2.33 3.08 -0.81 0.25 114.38 118.13 1u8r h ARG 114 Ca -0.07 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1u8r h ARG 114 Cb 0.56 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1u8r h ARG 114 CO 0.12 -0.07 0.16 0.00 -1.07 0.00 0.00 179.97 179.11 1u8r h ARG 115 N -0.11 0.23 -0.00 0.04 3.08 -1.45 0.12 114.38 116.29 1u8r h ARG 115 Ca 0.26 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 1u8r h ARG 115 Cb 0.56 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1u8r h ARG 115 CO -0.81 0.15 -0.43 -0.07 -1.07 0.00 0.00 179.97 177.74 1u8r h LEU 116 N 0.24 0.00 -0.30 3.04 3.38 0.59 -1.24 115.31 121.01 1u8r h LEU 116 Ca 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1u8r h LEU 116 Cb 0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1u8r h LEU 116 CO -0.02 0.44 0.17 0.58 0.09 0.00 0.00 178.44 179.70 1u8r h VAL 117 N 0.00 1.13 -0.24 1.22 2.07 0.40 -1.47 116.25 119.36 1u8r h VAL 117 Ca -0.00 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.04 1u8r h VAL 117 Cb 0.77 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1u8r h VAL 117 CO 0.06 0.13 -0.44 0.11 0.02 0.00 0.00 177.57 177.44 1u8r h LYS 118 N 0.37 0.62 0.00 1.57 1.79 -1.20 0.18 116.57 119.90 1u8r h LYS 118 Ca 0.11 -0.33 -0.05 0.00 -2.18 0.00 0.00 60.65 58.19 1u8r h LYS 118 Cb 0.06 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1u8r h LYS 118 CO -0.02 0.94 -0.25 0.28 -1.08 0.00 0.00 179.45 179.32 1u8r h VAL 119 N 0.50 0.65 -0.40 0.50 2.07 -1.02 -3.05 116.25 115.49 1u8r h VAL 119 Ca 0.03 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1u8r h VAL 119 Cb 0.97 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1u8r h VAL 119 CO 0.09 0.24 0.00 0.18 0.02 0.00 0.00 177.57 178.10 1u8r n LEU 120 N -3.48 3.18 -2.72 2.57 4.77 -0.57 -5.00 117.00 115.75 1u8r n LEU 120 Ca -0.00 -1.71 -0.11 0.00 -0.03 0.00 0.00 56.01 54.16 1u8r n LEU 120 Cb 0.42 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1u8r n LEU 120 CO 0.34 0.74 0.04 0.59 -1.33 0.00 0.00 177.39 177.77 1u8r n ASN 121 N 1.08 -3.94 -3.94 -1.43 5.03 -1.01 -3.88 115.26 107.17 1u8r n ASN 121 Ca 0.16 -0.47 -0.28 0.00 0.87 0.00 0.00 54.58 54.86 1u8r n ASN 121 Cb 0.50 -3.79 -0.01 0.00 -1.02 0.00 0.00 39.78 35.46 1u8r n ASN 121 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1u8r n ASN 122 N -2.63 -1.29 -4.54 6.41 3.02 0.61 -4.91 115.26 111.94 1u8r n ASN 122 Ca -0.11 -1.04 -0.31 0.00 -0.03 0.00 0.00 54.58 53.08 1u8r n ASN 122 Cb 0.60 -2.94 0.18 0.00 -0.61 0.00 0.00 39.78 37.01 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 -4.41 -0.96 0.00 3.52 -0.04 -1.25 -4.95 135.00 126.91 1u8r n PRO 123 Ca -0.26 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1u8r n PRO 123 Cb 0.66 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -4.29 0.00 -4.15 0.52 -2.24 -1.26 -4.95 114.28 97.92 1u8r n THR 124 Ca 0.08 -0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 1u8r n THR 124 Cb 0.54 1.55 -0.06 0.00 -2.10 0.00 0.00 70.33 70.26 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 -0.04 0.00 0.39 4.28 -4.23 -1.26 -1.46 115.64 113.32 1u8r s THR 125 Ca 0.00 -1.75 0.08 0.00 -1.18 0.00 0.00 61.69 58.84 1u8r s THR 125 Cb 0.00 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 1u8r s THR 125 CO 0.00 0.00 0.40 -0.94 -0.54 0.00 0.00 174.62 173.54 1u8r s SER 126 N -3.24 5.28 0.00 3.99 1.04 -0.02 -4.80 113.70 115.96 1u8r s SER 126 Ca 0.34 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1u8r s SER 126 Cb 0.01 -0.73 0.02 0.00 0.10 0.00 0.00 66.02 65.42 1u8r s SER 126 CO 0.20 -0.58 0.35 -2.65 0.98 0.00 0.00 173.24 171.53 1u8r n PRO 127 N -1.57 0.02 0.00 4.02 -0.02 -1.26 0.13 135.00 136.32 1u8r n PRO 127 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1u8r n PRO 127 Cb 0.60 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 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 -0.83 0.00 -0.05 6.00 3.01 -1.26 -4.88 117.46 119.45 1u8r n PHE 128 Ca 0.00 -0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.28 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 -0.18 1.06 3.75 1.37 0.00 0.12 -2.20 105.19 109.10 1u8r n GLY 129 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.78 7.39 0.55 1.61 -0.87 -1.26 -4.63 114.94 114.95 1u8r s ASN 130 Ca 0.00 2.07 -0.20 0.00 -1.57 0.00 0.00 52.86 53.16 1u8r s ASN 130 Cb 0.00 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.25 38.57 1u8r s ASN 130 CO 0.00 -0.09 1.23 -2.16 -2.57 0.00 0.00 177.10 173.52 1u8r s PRO 131 N -0.84 3.21 -0.46 -0.60 0.04 -1.26 -0.84 135.00 134.25 1u8r s PRO 131 Ca 0.46 1.91 -0.22 0.00 0.04 0.00 0.00 61.00 63.18 1u8r s PRO 131 Cb -0.29 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.16 1u8r s PRO 131 CO 0.35 -1.04 0.75 0.42 0.04 0.00 0.00 177.00 177.53 1u8r s ILE 132 N -1.51 4.68 1.03 0.56 1.01 -0.54 -4.86 121.20 121.57 1u8r s ILE 132 Ca 0.73 0.26 -0.13 0.00 0.00 0.00 0.00 60.65 61.51 1u8r s ILE 132 Cb -0.32 -4.31 0.20 0.00 0.01 0.00 0.00 42.46 38.04 1u8r s ILE 132 CO 0.37 -0.74 1.09 -2.16 0.00 0.00 0.00 174.94 173.50 1u8r s PRO 133 N 3.19 0.21 -1.11 2.79 0.04 -1.26 -4.19 135.00 134.67 1u8r s PRO 133 Ca 0.27 0.45 -0.13 0.00 0.04 0.00 0.00 61.00 61.63 1u8r s PRO 133 Cb -0.13 -1.72 0.13 0.00 0.04 0.00 0.00 34.50 32.82 1u8r s PRO 133 CO 0.21 -2.87 0.36 0.41 0.04 0.00 0.00 177.00 175.15 1u8r n GLY 134 N -1.04 -0.45 0.22 0.56 0.00 -1.26 -4.67 105.19 98.55 1u8r n GLY 134 Ca 0.05 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.57 0.00 0.14 0.99 3.38 -1.95 -3.04 115.31 114.26 1u8r h LEU 135 Ca -0.35 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.26 1u8r h LEU 135 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1u8r h LEU 135 CO 0.52 0.19 -1.85 -2.24 0.09 0.00 0.00 178.44 175.14 1u8r h ASP 136 N 0.00 0.47 0.32 -0.43 2.03 -1.88 -2.87 116.42 114.06 1u8r h ASP 136 Ca -0.00 -0.86 0.00 0.00 -0.73 0.00 0.00 57.03 55.44 1u8r h ASP 136 Cb 0.80 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1u8r h ASP 136 CO 0.02 1.75 0.00 -1.84 -1.03 0.00 0.00 179.24 178.15 1u8r n GLU 137 N -3.50 0.01 0.00 4.15 0.00 -1.23 -1.08 120.64 118.99 1u8r n GLU 137 Ca -0.27 0.33 -0.19 0.00 0.00 0.00 0.00 57.16 57.03 1u8r n GLU 137 Cb 1.06 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.86 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 0.29 0.00 -1.84 6.46 -1.55 -3.48 115.31 115.19 1u8r h LEU 138 Ca 0.00 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.83 1u8r h LEU 138 Cb 0.16 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1u8r h LEU 138 CO 0.00 1.32 0.00 0.61 -0.62 0.00 0.00 178.44 179.75 1u8r n GLY 139 N 1.65 0.23 0.00 3.75 0.00 -0.24 -5.01 105.19 105.57 1u8r n GLY 139 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1u8r n GLY 139 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u8r n VAL 140 N 0.00 0.00 -1.25 1.61 0.24 -1.09 -5.02 118.33 112.82 1u8r n VAL 140 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.46 1u8r n VAL 140 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 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 -2.55 0.00 7.63 0.00 -1.25 -4.29 105.19 104.73 1u8r n GLY 141 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.06 0.00 -4.73 0.99 7.94 -1.26 -4.93 117.00 110.94 1u8r n LEU 151 Ca -0.03 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.55 1u8r n LEU 151 Cb 0.58 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.45 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 1.19 -0.12 1.96 -7.23 0.25 -4.95 120.40 111.50 1u8r s VAL 152 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1u8r s VAL 152 Cb 0.00 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 1u8r s VAL 152 CO 0.00 0.00 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.07 1u8r s ARG 153 N -3.85 3.28 0.60 4.82 3.52 -1.26 -0.57 118.95 125.48 1u8r s ARG 153 Ca 0.09 -0.67 0.31 0.00 -0.13 0.00 0.00 55.73 55.33 1u8r s ARG 153 Cb 0.02 -2.62 1.11 0.00 -1.56 0.00 0.00 34.95 31.90 1u8r s ARG 153 CO 0.05 0.28 1.39 -0.07 -0.81 0.00 0.00 175.30 176.15 1u8r h LEU 154 N 6.48 0.00 -0.39 -0.88 3.38 -1.44 1.41 115.31 123.86 1u8r h LEU 154 Ca -0.29 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.50 1u8r h LEU 154 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1u8r h LEU 154 CO 0.55 0.00 -0.81 0.71 0.09 0.00 0.00 178.44 178.99 1u8r h THR 155 N 0.00 1.56 -0.30 0.22 1.35 -1.86 -3.14 112.91 110.75 1u8r h THR 155 Ca 0.55 -2.71 -0.16 0.00 -0.55 0.00 0.00 66.41 63.54 1u8r h THR 155 Cb 2.96 2.47 -0.09 0.00 -1.73 0.00 0.00 68.15 71.76 1u8r h THR 155 CO -0.01 0.78 0.20 -0.62 -0.25 0.00 0.00 175.52 175.63 1u8r n GLU 156 N -3.60 1.39 -4.14 4.72 1.02 0.48 -4.82 120.64 115.68 1u8r n GLU 156 Ca -0.01 -0.90 -0.34 0.00 -0.02 0.00 0.00 57.16 55.89 1u8r n GLU 156 Cb 0.77 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.70 1u8r n GLU 156 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1u8r s LEU 157 N -1.00 2.77 0.45 -4.62 2.96 -1.19 -4.78 118.68 113.27 1u8r s LEU 157 Ca 0.17 -0.40 -0.25 0.00 -0.22 0.00 0.00 54.13 53.43 1u8r s LEU 157 Cb 0.14 -1.68 -0.09 0.00 0.50 0.00 0.00 46.19 45.07 1u8r s LEU 157 CO 0.03 0.03 1.31 -0.81 -1.32 0.00 0.00 176.35 175.59 1u8r n PRO 158 N 4.45 1.95 -2.06 0.98 -0.04 -1.26 -4.88 135.00 134.15 1u8r n PRO 158 Ca -0.18 0.70 -0.29 0.00 -0.04 0.00 0.00 63.50 63.69 1u8r n PRO 158 Cb 0.51 -2.46 0.18 0.00 -0.04 0.00 0.00 33.50 31.69 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 -1.22 2.50 0.00 0.55 0.00 -1.26 -4.73 121.76 117.60 1u8r s ALA 159 Ca 0.63 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1u8r s ALA 159 Cb -0.48 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1u8r s ALA 159 CO 0.57 -2.29 0.00 0.41 0.00 0.00 0.00 175.76 174.45 1u8r n GLY 160 N -3.61 1.25 3.85 0.00 0.00 -1.26 -5.01 105.19 100.41 1u8r n GLY 160 Ca 0.15 -0.96 -0.37 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 6.68 1.05 1.61 0.15 -1.26 -4.87 113.70 113.06 1u8r s SER 161 Ca 0.00 0.82 -0.21 0.00 0.70 0.00 0.00 55.95 57.25 1u8r s SER 161 Cb 0.00 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 62.09 1u8r s SER 161 CO 0.00 0.31 -0.57 -2.65 1.20 0.00 0.00 173.24 171.53 1u8r n PRO 162 N 1.66 -0.78 -3.76 5.44 -0.02 -1.26 -4.95 135.00 131.33 1u8r n PRO 162 Ca -0.14 -0.21 -0.13 0.00 -2.02 0.00 0.00 63.50 61.00 1u8r n PRO 162 Cb 0.53 -1.41 -0.12 0.00 -0.02 0.00 0.00 33.50 32.47 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 -2.15 -0.02 -0.01 -1.45 1.01 -0.70 -4.95 120.40 112.13 1u8r s VAL 163 Ca 0.48 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 1u8r s VAL 163 Cb -0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1u8r s VAL 163 CO 0.68 0.03 0.84 0.00 0.00 0.00 0.00 175.10 176.65 1u8r s ALA 164 N 0.67 3.26 0.25 5.51 0.00 -1.26 -1.34 121.76 128.85 1u8r s ALA 164 Ca -0.05 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 1u8r s ALA 164 Cb -0.06 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 1u8r s ALA 164 CO -0.04 -0.12 0.36 0.14 0.00 0.00 0.00 175.76 176.10 1u8r s VAL 165 N 0.70 0.00 -0.15 0.00 -7.23 0.22 -2.92 120.40 111.02 1u8r s VAL 165 Ca 0.44 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1u8r s VAL 165 Cb -0.20 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.40 1u8r s VAL 165 CO 0.24 0.00 -0.11 0.54 -0.31 0.00 0.00 175.10 175.46 1u8r s VAL 166 N -3.92 1.43 -0.08 1.32 0.11 -0.84 -1.29 120.40 117.12 1u8r s VAL 166 Ca 0.29 -0.64 -0.35 0.00 -2.93 0.00 0.00 61.98 58.35 1u8r s VAL 166 Cb 0.02 -1.42 -0.13 0.00 -1.53 0.00 0.00 36.38 33.32 1u8r s VAL 166 CO 0.12 0.35 1.80 0.52 -3.33 0.00 0.00 175.10 174.55 1u8r n VAL 167 N 4.80 0.44 -0.08 2.04 0.31 -0.99 -2.37 118.33 122.48 1u8r n VAL 167 Ca -0.15 -0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 63.99 1u8r n VAL 167 Cb 0.49 -1.68 -0.07 0.00 -0.91 0.00 0.00 33.84 31.67 1u8r n VAL 167 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1u8r n ARG 168 N 5.84 0.39 -3.95 5.55 5.12 -0.62 -0.44 116.66 128.54 1u8r n ARG 168 Ca 0.22 0.09 -0.10 0.00 -1.93 0.00 0.00 57.85 56.14 1u8r n ARG 168 Cb 0.26 -1.30 -0.11 0.00 -1.16 0.00 0.00 32.46 30.15 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 0.30 -0.40 5.56 -0.21 -0.76 -4.40 119.66 117.44 1u8r s GLN 169 Ca -0.21 -0.50 0.01 0.00 0.02 0.00 0.00 55.36 54.68 1u8r s GLN 169 Cb 0.06 0.11 0.14 0.00 1.00 0.00 0.00 33.01 34.31 1u8r s GLN 169 CO 0.36 -0.05 0.22 -0.51 -2.12 0.00 0.00 175.29 173.18 1u8r s LEU 170 N -1.27 2.02 0.85 2.90 1.43 -0.94 -1.89 118.68 121.78 1u8r s LEU 170 Ca -0.14 -2.42 -0.12 0.00 -1.03 0.00 0.00 54.13 50.42 1u8r s LEU 170 Cb -0.08 -0.78 0.11 0.00 0.03 0.00 0.00 46.19 45.46 1u8r s LEU 170 CO -0.00 -0.29 1.19 0.42 0.23 0.00 0.00 176.35 177.89 1u8r s THR 171 N 0.67 2.03 0.47 5.49 -4.23 -0.76 -4.65 115.64 114.67 1u8r s THR 171 Ca 0.17 0.01 0.35 0.00 -1.18 0.00 0.00 61.69 61.04 1u8r s THR 171 Cb -0.24 -2.27 0.54 0.00 1.34 0.00 0.00 72.50 71.87 1u8r s THR 171 CO -0.00 -0.01 1.62 -0.33 -0.54 0.00 0.00 174.62 175.36 1u8r h GLU 172 N -1.27 0.06 -0.24 3.99 4.39 -1.95 -0.39 114.58 119.16 1u8r h GLU 172 Ca -0.45 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.28 1u8r h GLU 172 Cb 1.29 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 1u8r h GLU 172 CO 0.44 0.04 0.02 1.25 -1.16 0.00 0.00 179.01 179.60 1u8r h HIS 173 N 0.06 0.03 -0.63 4.33 2.76 -1.91 -1.20 115.15 118.59 1u8r h HIS 173 Ca 0.83 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.93 1u8r h HIS 173 Cb 2.81 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 31.77 1u8r h HIS 173 CO -0.00 -0.01 0.03 -0.24 -1.30 0.00 0.00 177.93 176.41 1u8r h VAL 174 N 0.10 1.26 -0.28 5.26 3.04 -1.36 -1.04 116.25 123.23 1u8r h VAL 174 Ca 0.11 -1.12 0.08 0.00 -1.01 0.00 0.00 66.70 64.77 1u8r h VAL 174 Cb 0.13 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 1u8r h VAL 174 CO -0.17 0.41 0.30 1.56 -1.01 0.00 0.00 177.57 178.66 1u8r h GLN 175 N 0.99 0.00 0.67 4.17 4.20 -1.23 -2.61 115.11 121.30 1u8r h GLN 175 Ca 0.18 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1u8r h GLN 175 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1u8r h GLN 175 CO 0.02 0.00 -0.35 0.78 -0.67 0.00 0.00 178.83 178.61 1u8r h GLY 176 N 0.00 -1.03 -7.39 3.46 0.00 0.02 -3.36 103.07 94.76 1u8r h GLY 176 Ca 0.13 0.40 -0.26 0.00 0.00 0.00 0.00 47.33 47.60 1u8r h GLY 176 CO -0.00 -0.37 0.77 -0.35 0.00 0.00 0.00 176.54 176.59 1u8r s ASP 177 N -3.47 4.56 0.34 0.19 3.68 -0.98 -4.78 116.67 116.21 1u8r s ASP 177 Ca -0.14 0.11 0.02 0.00 2.13 0.00 0.00 52.55 54.67 1u8r s ASP 177 Cb 0.02 -2.54 0.61 0.00 -1.45 0.00 0.00 42.92 39.56 1u8r s ASP 177 CO 0.43 -3.12 2.00 -0.29 0.13 0.00 0.00 175.17 174.31 1u8r h ILE 178 N 7.44 1.16 -0.80 4.11 2.10 -1.82 -0.36 117.51 129.35 1u8r h ILE 178 Ca -0.07 -0.31 -0.00 0.00 1.08 0.00 0.00 64.86 65.57 1u8r h ILE 178 Cb 1.08 0.18 -0.04 0.00 -1.09 0.00 0.00 36.82 36.96 1u8r h ILE 178 CO 1.13 0.16 0.50 0.44 -1.08 0.00 0.00 178.15 179.30 1u8r h ASP 179 N 0.90 0.94 0.06 2.19 3.32 -1.94 -2.01 116.42 119.88 1u8r h ASP 179 Ca 0.25 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 1u8r h ASP 179 Cb -0.07 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.25 1u8r h ASP 179 CO -0.06 0.71 -0.61 0.25 -1.72 0.00 0.00 179.24 177.81 1u8r h LEU 180 N 1.10 0.43 -2.54 1.55 5.85 -1.70 -2.79 115.31 117.20 1u8r h LEU 180 Ca 0.29 -0.86 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 1u8r h LEU 180 Cb -0.07 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1u8r h LEU 180 CO -0.06 1.25 -0.00 -0.29 -0.34 0.00 0.00 178.44 179.00 1u8r h ILE 181 N -0.33 0.45 0.07 4.05 6.09 -0.97 0.16 117.51 127.04 1u8r h ILE 181 Ca -0.09 -0.01 -0.00 0.00 -1.37 0.00 0.00 64.86 63.39 1u8r h ILE 181 Cb 1.40 1.00 0.00 0.00 0.47 0.00 0.00 36.82 39.69 1u8r h ILE 181 CO 0.12 0.00 -0.03 0.74 -3.07 0.00 0.00 178.15 175.91 1u8r h THR 182 N 0.00 1.05 -0.78 2.19 2.02 -1.39 -2.78 112.91 113.22 1u8r h THR 182 Ca -0.00 -1.52 0.15 0.00 0.77 0.00 0.00 66.41 65.81 1u8r h THR 182 Cb 0.00 1.89 -0.10 0.00 -1.74 0.00 0.00 68.15 68.21 1u8r h THR 182 CO 0.00 0.32 0.34 0.03 0.37 0.00 0.00 175.52 176.58 1u8r h ARG 183 N -0.91 0.47 -0.58 6.66 3.08 -1.07 0.14 114.38 122.18 1u8r h ARG 183 Ca -0.01 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1u8r h ARG 183 Cb 0.59 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1u8r h ARG 183 CO 0.02 0.31 0.38 -0.07 -1.07 0.00 0.00 179.97 179.54 1u8r h LEU 184 N 0.48 0.66 -0.05 3.04 3.38 -1.06 0.37 115.31 122.13 1u8r h LEU 184 Ca 0.43 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 1u8r h LEU 184 Cb 0.65 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1u8r h LEU 184 CO -0.40 0.48 -0.04 0.50 0.09 0.00 0.00 178.44 179.07 1u8r h LYS 185 N 0.78 0.12 -0.88 1.13 3.64 -0.48 0.29 116.57 121.17 1u8r h LYS 185 Ca 0.21 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.61 1u8r h LYS 185 Cb -0.09 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.66 1u8r h LYS 185 CO -0.05 0.54 0.54 -0.44 -2.27 0.00 0.00 179.45 177.78 1u8r h ASP 186 N -0.30 0.82 -0.14 4.20 3.45 -0.68 0.63 116.42 124.39 1u8r h ASP 186 Ca 0.01 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1u8r h ASP 186 Cb 0.52 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1u8r h ASP 186 CO 0.01 0.50 0.00 0.00 -1.57 0.00 0.00 179.24 178.18 1u8r n ALA 187 N -2.36 2.51 -0.44 3.45 0.00 0.07 -4.90 120.51 118.84 1u8r n ALA 187 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1u8r n ALA 187 Cb 0.23 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.66 0.67 3.57 0.00 0.00 0.21 -4.85 105.19 105.45 1u8r n GLY 188 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.03 3.27 0.30 1.61 1.01 0.05 -4.83 120.40 119.79 1u8r s VAL 189 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1u8r s VAL 189 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1u8r s VAL 189 CO 0.00 -0.54 0.31 0.68 0.00 0.00 0.00 175.10 175.55 1u8r s VAL 190 N 12.88 0.00 0.19 2.92 -7.23 -1.26 -4.58 120.40 123.32 1u8r s VAL 190 Ca 0.78 -1.87 -0.32 0.00 -1.81 0.00 0.00 61.98 58.76 1u8r s VAL 190 Cb -0.07 -2.52 -0.15 0.00 0.56 0.00 0.00 36.38 34.19 1u8r s VAL 190 CO 0.08 0.00 1.16 -2.65 -0.31 0.00 0.00 175.10 173.38 1u8r n PRO 191 N -0.53 1.24 -3.09 4.82 -0.02 -1.26 -3.13 135.00 133.04 1u8r n PRO 191 Ca 0.04 0.44 -0.05 0.00 -2.02 0.00 0.00 63.50 61.91 1u8r n PRO 191 Cb 0.63 -1.93 0.02 0.00 -0.02 0.00 0.00 33.50 32.20 1u8r n PRO 191 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1u8r n ASN 192 N 1.94 -7.28 -3.55 2.55 3.02 0.41 -4.99 115.26 107.36 1u8r n ASN 192 Ca 0.14 -0.29 -0.14 0.00 -0.03 0.00 0.00 54.58 54.26 1u8r n ASN 192 Cb 0.26 -5.18 -0.12 0.00 -0.61 0.00 0.00 39.78 34.13 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 -3.13 -0.55 0.06 5.41 0.00 -1.18 -4.96 121.76 117.40 1u8r s ALA 193 Ca 0.16 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 1u8r s ALA 193 Cb -0.02 -1.24 -0.06 0.00 0.00 0.00 0.00 23.12 21.80 1u8r s ALA 193 CO 0.73 -0.95 1.20 0.50 0.00 0.00 0.00 175.76 177.24 1u8r s ARG 194 N 2.41 4.43 0.23 0.00 3.52 -1.26 -2.35 118.95 125.93 1u8r s ARG 194 Ca 0.05 1.77 -0.21 0.00 -0.13 0.00 0.00 55.73 57.21 1u8r s ARG 194 Cb -0.14 -3.35 0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1u8r s ARG 194 CO -0.11 -0.26 0.65 0.54 -0.81 0.00 0.00 175.30 175.31 1u8r s VAL 195 N 1.10 0.00 0.12 7.11 0.11 -0.41 -4.79 120.40 123.65 1u8r s VAL 195 Ca 0.59 -0.71 0.09 0.00 -2.93 0.00 0.00 61.98 59.02 1u8r s VAL 195 Cb -0.29 -1.67 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 1u8r s VAL 195 CO 0.29 -0.01 -0.20 0.42 -3.33 0.00 0.00 175.10 172.27 1u8r s THR 196 N -3.87 2.74 0.01 5.04 -4.23 -1.13 -0.61 115.64 113.59 1u8r s THR 196 Ca 0.08 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 1u8r s THR 196 Cb -0.04 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 1u8r s THR 196 CO 0.00 0.09 -0.09 0.68 -0.54 0.00 0.00 174.62 174.76 1u8r s VAL 197 N -1.15 0.67 -0.02 2.29 -7.23 -0.45 -0.28 120.40 114.22 1u8r s VAL 197 Ca 0.17 -0.55 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 1u8r s VAL 197 Cb -0.10 -0.60 0.02 0.00 0.56 0.00 0.00 36.38 36.25 1u8r s VAL 197 CO 0.10 0.05 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.22 1u8r s GLU 198 N -0.56 0.36 0.03 4.82 2.12 -0.37 -1.72 118.70 123.39 1u8r s GLU 198 Ca 0.01 0.00 -0.30 0.00 0.36 0.00 0.00 54.97 55.03 1u8r s GLU 198 Cb -0.05 -0.47 -0.08 0.00 0.26 0.00 0.00 34.13 33.79 1u8r s GLU 198 CO 0.00 -0.07 1.71 0.99 -0.54 0.00 0.00 175.26 177.35 1u8r s THR 199 N 0.72 3.16 0.74 -1.70 2.01 -1.26 -0.60 115.64 118.71 1u8r s THR 199 Ca -0.08 0.45 -0.10 0.00 0.31 0.00 0.00 61.69 62.27 1u8r s THR 199 Cb -0.11 -3.29 0.05 0.00 0.01 0.00 0.00 72.50 69.16 1u8r s THR 199 CO -0.01 -0.02 1.10 0.28 -0.69 0.00 0.00 174.62 175.28 1u8r s THR 200 N 3.33 2.64 0.13 -0.82 -1.32 -1.03 -4.73 115.64 113.84 1u8r s THR 200 Ca 0.76 0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 61.15 1u8r s THR 200 Cb -0.39 -3.18 -0.03 0.00 -1.51 0.00 0.00 72.50 67.39 1u8r s THR 200 CO 0.33 -0.23 1.76 -0.65 -2.21 0.00 0.00 174.62 173.62 1u8r h PRO 201 N -0.77 0.22 -2.06 7.08 0.11 -1.95 -3.11 132.00 131.52 1u8r h PRO 201 Ca -0.45 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1u8r h PRO 201 Cb 1.30 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 1u8r h PRO 201 CO 0.64 0.14 -0.33 0.41 -0.21 0.00 0.00 178.00 178.65 1u8r n GLY 202 N -1.18 2.87 3.05 -0.55 0.00 -1.26 -4.70 105.19 103.42 1u8r n GLY 202 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 2.51 0.00 0.00 -0.02 0.00 -1.18 -4.54 105.19 101.97 1u8r n GLY 203 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.29 -1.20 3.48 -0.02 0.00 -1.26 -4.21 105.19 101.69 1u8r n GLY 204 Ca 0.00 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.13 -0.00 -0.17 1.61 1.01 -0.63 -2.45 120.40 119.64 1u8r s VAL 205 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1u8r s VAL 205 Cb 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1u8r s VAL 205 CO 0.00 0.00 -0.10 -0.89 0.00 0.00 0.00 175.10 174.11 1u8r s THR 206 N 0.60 3.09 -0.23 3.92 2.01 0.23 -0.36 115.64 124.90 1u8r s THR 206 Ca -0.02 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 1u8r s THR 206 Cb -0.05 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 1u8r s THR 206 CO -0.03 0.48 0.19 -0.63 -0.69 0.00 0.00 174.62 173.94 1u8r s ILE 207 N 0.93 5.34 -0.44 1.82 1.01 0.50 -1.23 121.20 129.13 1u8r s ILE 207 Ca -0.02 0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.78 1u8r s ILE 207 Cb -0.15 -3.53 0.09 0.00 0.01 0.00 0.00 42.46 38.88 1u8r s ILE 207 CO -0.00 0.33 0.31 -0.69 0.00 0.00 0.00 174.94 174.89 1u8r s VAL 208 N 1.07 4.40 -0.26 2.92 1.01 0.61 -2.04 120.40 128.12 1u8r s VAL 208 Ca 0.09 -1.44 -0.15 0.00 0.00 0.00 0.00 61.98 60.48 1u8r s VAL 208 Cb -0.14 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1u8r s VAL 208 CO 0.05 -0.59 0.37 -0.63 0.00 0.00 0.00 175.10 174.29 1u8r s ILE 209 N 1.45 5.18 -0.39 2.22 1.09 -1.26 -2.86 121.20 126.64 1u8r s ILE 209 Ca 0.04 0.56 -0.27 0.00 -1.10 0.00 0.00 60.65 59.88 1u8r s ILE 209 Cb -0.24 -3.69 -0.06 0.00 -1.06 0.00 0.00 42.46 37.41 1u8r s ILE 209 CO 0.02 0.17 2.28 -2.16 -0.10 0.00 0.00 174.94 175.15 1u8r s PRO 210 N 1.96 2.57 0.00 2.79 0.04 -1.26 -2.06 135.00 139.04 1u8r s PRO 210 Ca 0.15 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1u8r s PRO 210 Cb -0.16 -4.48 0.00 0.00 0.04 0.00 0.00 34.50 29.91 1u8r s PRO 210 CO 0.10 -2.74 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1u8r n GLY 211 N 5.87 2.79 3.70 0.56 0.00 -1.26 -5.10 105.19 111.75 1u8r n GLY 211 Ca 0.33 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 1u8r n GLY 211 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u8r s HIS 212 N -0.12 2.71 0.83 1.61 3.76 -0.87 -5.10 115.29 118.11 1u8r s HIS 212 Ca 0.00 -0.31 -0.15 0.00 -0.15 0.00 0.00 55.06 54.45 1u8r s HIS 212 Cb 0.00 -1.44 -0.05 0.00 1.11 0.00 0.00 32.58 32.20 1u8r s HIS 212 CO 0.00 0.47 0.15 0.39 -0.85 0.00 0.00 174.74 174.90 1u8r n GLU 213 N -1.04 0.03 -1.55 1.40 -0.58 -1.26 -4.35 120.64 113.29 1u8r n GLU 213 Ca -0.05 0.04 -0.30 0.00 -0.42 0.00 0.00 57.16 56.43 1u8r n GLU 213 Cb 0.60 -1.59 0.08 0.00 -0.57 0.00 0.00 31.44 29.97 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 -1.50 4.69 -0.07 1.62 0.01 -1.26 -4.58 114.94 113.84 1u8r s ASN 214 Ca 0.57 1.39 -0.03 0.00 -0.71 0.00 0.00 52.86 54.07 1u8r s ASN 214 Cb -0.29 -2.15 0.04 0.00 0.41 0.00 0.00 41.25 39.26 1u8r s ASN 214 CO 0.67 -1.86 0.14 0.54 -1.51 0.00 0.00 177.10 175.08 1u8r s VAL 215 N -3.12 -0.18 -0.13 1.60 0.11 -0.87 -5.02 120.40 112.80 1u8r s VAL 215 Ca 0.60 0.31 -0.02 0.00 -2.93 0.00 0.00 61.98 59.94 1u8r s VAL 215 Cb -0.14 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1u8r s VAL 215 CO 0.54 0.13 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.50 1u8r s THR 216 N 1.91 3.75 -0.10 5.04 2.01 -1.26 -0.37 115.64 126.62 1u8r s THR 216 Ca -0.01 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 1u8r s THR 216 Cb -0.12 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1u8r s THR 216 CO -0.05 0.52 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.60 1u8r s LEU 217 N 0.09 3.33 0.77 4.42 1.43 0.51 -4.97 118.68 124.25 1u8r s LEU 217 Ca -0.01 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 1u8r s LEU 217 Cb -0.14 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.38 1u8r s LEU 217 CO 0.03 0.31 1.10 -2.84 0.23 0.00 0.00 176.35 175.18 1u8r s PRO 218 N -0.50 2.25 0.28 1.29 0.02 -1.26 -1.60 135.00 135.48 1u8r s PRO 218 Ca 0.08 1.21 0.01 0.00 0.02 0.00 0.00 61.00 62.32 1u8r s PRO 218 Cb -0.12 -1.89 0.69 0.00 0.02 0.00 0.00 34.50 33.19 1u8r s PRO 218 CO 0.02 -1.65 1.65 1.25 -0.33 0.00 0.00 177.00 177.94 1u8r h HIS 219 N -1.04 0.33 0.32 6.54 -0.00 -1.80 -0.45 115.15 119.05 1u8r h HIS 219 Ca -0.44 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 59.97 1u8r h HIS 219 Cb 1.23 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.63 1u8r h HIS 219 CO 0.57 -0.20 -0.18 1.05 -0.00 0.00 0.00 177.93 179.16 1u8r h GLU 220 N 0.21 -0.46 -0.49 5.26 4.11 -1.91 -1.95 114.58 119.35 1u8r h GLU 220 Ca 0.54 0.03 0.01 0.00 0.07 0.00 0.00 59.36 60.01 1u8r h GLU 220 Cb 1.08 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1u8r h GLU 220 CO -0.65 -0.31 0.33 0.52 0.07 0.00 0.00 179.01 178.97 1u8r h MET 221 N -0.48 0.62 -0.68 1.06 2.86 -1.68 -1.37 114.93 115.26 1u8r h MET 221 Ca -0.04 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1u8r h MET 221 Cb 0.39 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1u8r h MET 221 CO 0.04 0.41 0.36 0.00 1.06 0.00 0.00 176.91 178.78 1u8r h ALA 222 N 1.70 1.36 -0.01 6.32 0.00 -0.63 -0.66 119.26 127.33 1u8r h ALA 222 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1u8r h ALA 222 Cb -0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1u8r h ALA 222 CO -0.04 0.52 0.13 0.45 0.00 0.00 0.00 179.25 180.31 1u8r h HIS 223 N 0.95 0.00 -0.63 0.00 -0.00 -0.49 -2.04 115.15 112.93 1u8r h HIS 223 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1u8r h HIS 223 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1u8r h HIS 223 CO 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.94 1u8r n ALA 224 N -2.03 3.41 -3.92 2.45 0.00 -0.26 -4.69 120.51 115.47 1u8r n ALA 224 Ca -0.02 -1.72 -0.29 0.00 0.00 0.00 0.00 53.44 51.41 1u8r n ALA 224 Cb 0.20 -1.07 -0.17 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.20 1.37 -0.08 0.00 1.01 -0.77 -1.82 120.40 117.90 1u8r s VAL 225 Ca 0.53 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 1u8r s VAL 225 Cb 0.37 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1u8r s VAL 225 CO 0.22 0.42 0.03 -0.54 0.00 0.00 0.00 175.10 175.23 1u8r s LYS 226 N 1.48 3.07 0.31 2.72 1.02 -0.79 -1.62 119.74 125.93 1u8r s LYS 226 Ca 0.03 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.70 1u8r s LYS 226 Cb -0.13 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1u8r s LYS 226 CO -0.08 0.71 0.19 0.14 -0.92 0.00 0.00 175.35 175.38 1u8r s VAL 227 N -0.94 0.22 -0.14 3.17 -7.23 0.27 -1.60 120.40 114.16 1u8r s VAL 227 Ca 0.14 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 1u8r s VAL 227 Cb -0.11 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.35 1u8r s VAL 227 CO 0.04 0.00 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.98 1u8r s GLU 228 N -3.75 2.29 -0.43 4.82 2.12 -1.00 -0.58 118.70 122.17 1u8r s GLU 228 Ca 0.36 -0.56 -0.27 0.00 0.36 0.00 0.00 54.97 54.86 1u8r s GLU 228 Cb 0.04 -2.06 -0.06 0.00 0.26 0.00 0.00 34.13 32.32 1u8r s GLU 228 CO 0.19 -0.19 2.26 0.15 -0.54 0.00 0.00 175.26 177.13 1u8r s LYS 229 N 1.35 2.47 0.00 4.30 1.02 -1.26 -2.00 119.74 125.62 1u8r s LYS 229 Ca 0.02 1.45 0.00 0.00 0.02 0.00 0.00 55.97 57.46 1u8r s LYS 229 Cb -0.13 -4.49 0.00 0.00 -0.52 0.00 0.00 37.83 32.69 1u8r s LYS 229 CO -0.08 -2.86 0.00 0.28 -0.92 0.00 0.00 175.35 171.77