#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrh s SER 2 N 0.00 1.62 0.40 6.43 0.01 -1.26 -1.27 113.70 119.63 1xrh s SER 2 Ca 0.00 -0.25 0.08 0.00 1.31 0.00 0.00 55.95 57.09 1xrh s SER 2 Cb 0.00 -0.72 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 1xrh s SER 2 CO 0.00 -0.02 0.36 -0.44 0.41 0.00 0.00 173.24 173.55 1xrh s SER 3 N 0.92 5.06 -0.06 2.44 0.01 0.12 -4.89 113.70 117.30 1xrh s SER 3 Ca -0.10 -0.72 0.05 0.00 1.31 0.00 0.00 55.95 56.49 1xrh s SER 3 Cb -0.15 -0.62 -0.00 0.00 0.21 0.00 0.00 66.02 65.45 1xrh s SER 3 CO 0.01 -0.60 -0.22 -0.54 0.41 0.00 0.00 173.24 172.30 1xrh s LYS 4 N -4.10 2.35 0.08 12.44 1.02 -1.26 -0.30 119.74 129.98 1xrh s LYS 4 Ca 0.47 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.73 1xrh s LYS 4 Cb -0.03 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 1xrh s LYS 4 CO 0.27 0.28 -0.14 -1.50 -0.92 0.00 0.00 175.35 173.35 1xrh s ILE 5 N 0.04 1.15 0.48 2.17 2.07 0.72 -4.89 121.20 122.94 1xrh s ILE 5 Ca -0.07 -1.39 -0.19 0.00 -1.41 0.00 0.00 60.65 57.59 1xrh s ILE 5 Cb -0.14 -1.17 -0.09 0.00 0.13 0.00 0.00 42.46 41.20 1xrh s ILE 5 CO 0.04 -0.27 0.99 -0.94 -1.91 0.00 0.00 174.94 172.86 1xrh s SER 6 N -1.89 6.59 0.18 4.50 1.04 -1.26 0.14 113.70 122.99 1xrh s SER 6 Ca 0.00 1.74 -0.22 0.00 0.48 0.00 0.00 55.95 57.95 1xrh s SER 6 Cb -0.09 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.59 1xrh s SER 6 CO 0.02 -0.61 1.59 -0.09 0.98 0.00 0.00 173.24 175.13 1xrh h ARG 7 N 1.43 -0.18 -0.40 4.02 2.43 -1.94 -0.28 114.38 119.46 1xrh h ARG 7 Ca -0.48 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1xrh h ARG 7 Cb 1.20 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1xrh h ARG 7 CO 0.60 -0.12 0.10 0.93 -1.51 0.00 0.00 179.97 179.97 1xrh h GLU 8 N -0.19 0.59 -0.09 0.20 3.07 -2.00 -2.43 114.58 113.73 1xrh h GLU 8 Ca 0.21 -0.10 -0.21 0.00 -0.50 0.00 0.00 59.36 58.76 1xrh h GLU 8 Cb 0.55 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1xrh h GLU 8 CO -0.65 0.54 -0.78 1.15 -1.40 0.00 0.00 179.01 177.87 1xrh h THR 9 N 0.58 1.31 -0.55 1.13 2.02 -1.50 -2.86 112.91 113.04 1xrh h THR 9 Ca 0.14 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.29 1xrh h THR 9 Cb 0.22 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 1xrh h THR 9 CO -0.00 0.63 0.36 0.25 0.37 0.00 0.00 175.52 177.13 1xrh h LEU 10 N 0.37 0.64 -0.50 2.58 6.46 -0.99 -1.95 115.31 121.91 1xrh h LEU 10 Ca -0.07 -0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.73 1xrh h LEU 10 Cb 1.43 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 41.14 1xrh h LEU 10 CO 0.16 0.47 0.17 -0.74 -0.62 0.00 0.00 178.44 177.89 1xrh h HIS 11 N 0.75 0.31 -0.42 1.25 2.76 -1.46 -0.48 115.15 117.86 1xrh h HIS 11 Ca 0.20 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 1xrh h HIS 11 Cb -0.08 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 1xrh h HIS 11 CO -0.03 0.09 -0.26 0.37 -1.30 0.00 0.00 177.93 176.80 1xrh h GLN 12 N 0.35 0.89 -0.57 5.26 5.75 -1.25 -1.41 115.11 124.13 1xrh h GLN 12 Ca 0.24 -0.39 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 1xrh h GLN 12 Cb 0.26 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 1xrh h GLN 12 CO -0.25 1.04 0.33 -0.07 -2.65 0.00 0.00 178.83 177.23 1xrh h LEU 13 N 0.76 0.70 -0.36 -2.39 3.38 -0.72 -0.45 115.31 116.22 1xrh h LEU 13 Ca 0.09 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1xrh h LEU 13 Cb 0.82 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1xrh h LEU 13 CO 0.07 0.57 -0.37 0.40 0.09 0.00 0.00 178.44 179.20 1xrh h ILE 14 N 0.77 1.28 -0.59 1.22 2.04 -1.02 -2.46 117.51 118.74 1xrh h ILE 14 Ca 0.20 -1.55 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 1xrh h ILE 14 Cb 0.02 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1xrh h ILE 14 CO -0.03 0.51 0.37 -0.08 0.00 0.00 0.00 178.15 178.91 1xrh h GLU 15 N 0.69 0.80 -0.44 2.37 4.81 -1.12 -0.98 114.58 120.70 1xrh h GLU 15 Ca 0.06 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1xrh h GLU 15 Cb 0.96 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1xrh h GLU 15 CO 0.09 0.56 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.98 1xrh h ASN 16 N 0.80 0.80 -0.51 1.04 2.35 -1.02 -0.98 115.58 118.06 1xrh h ASN 16 Ca 0.21 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1xrh h ASN 16 Cb -0.04 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1xrh h ASN 16 CO -0.04 0.94 0.22 0.50 -1.65 0.00 0.00 177.43 177.40 1xrh h LYS 17 N 0.64 0.74 0.00 0.81 1.63 -1.11 0.12 116.57 119.40 1xrh h LYS 17 Ca 0.12 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xrh h LYS 17 Cb 0.56 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1xrh h LYS 17 CO 0.03 0.64 0.00 -0.07 -3.45 0.00 0.00 179.45 176.60 1xrh h LEU 18 N 0.67 0.00 -0.06 5.20 4.07 -1.11 -0.87 115.31 123.21 1xrh h LEU 18 Ca 0.17 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.98 1xrh h LEU 18 Cb 0.16 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.90 1xrh h LEU 18 CO -0.02 0.00 -0.56 0.00 -1.08 0.00 0.00 178.44 176.78 1xrh h GLN 20 N 0.04 0.56 0.00 0.00 4.15 -0.39 -1.86 115.11 117.61 1xrh h GLN 20 Ca -0.05 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 1xrh h GLN 20 Cb 1.23 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 1xrh h GLN 20 CO 0.11 0.52 -0.21 0.00 -1.93 0.00 0.00 178.83 177.32 1xrh h ALA 21 N 1.55 1.00 0.00 3.38 0.00 -1.13 -3.47 119.26 120.60 1xrh h ALA 21 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xrh h ALA 21 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xrh h ALA 21 CO -0.00 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1xrh n GLY 22 N 0.23 0.62 3.80 0.00 0.00 -0.70 -3.88 105.19 105.26 1xrh n GLY 22 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1xrh n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xrh s LEU 23 N 0.00 4.03 0.84 0.99 1.43 -0.76 -4.85 118.68 120.36 1xrh s LEU 23 Ca 0.00 1.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.82 1xrh s LEU 23 Cb 0.00 -4.38 0.08 0.00 0.03 0.00 0.00 46.19 41.92 1xrh s LEU 23 CO 0.00 -0.43 1.04 0.29 0.23 0.00 0.00 176.35 177.47 1xrh n LYS 24 N -0.39 0.00 -0.19 1.70 5.02 -1.26 -4.38 118.16 118.66 1xrh n LYS 24 Ca 0.06 0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.33 1xrh n LYS 24 Cb 0.52 -2.30 0.01 0.00 -0.02 0.00 0.00 35.03 33.24 1xrh n LYS 24 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1xrh h ARG 25 N -1.15 1.04 -0.06 1.97 2.43 -1.95 -1.41 114.38 115.25 1xrh h ARG 25 Ca -0.45 -0.37 -0.04 0.00 -0.81 0.00 0.00 59.98 58.31 1xrh h ARG 25 Cb 1.30 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1xrh h ARG 25 CO 0.43 1.06 -0.14 1.05 -1.51 0.00 0.00 179.97 180.86 1xrh h GLU 26 N 0.92 0.09 0.13 0.20 4.11 -1.99 0.76 114.58 118.80 1xrh h GLU 26 Ca 0.15 -0.02 -0.24 0.00 0.07 0.00 0.00 59.36 59.32 1xrh h GLU 26 Cb 0.64 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.91 1xrh h GLU 26 CO 0.04 0.24 -1.02 0.45 0.07 0.00 0.00 179.01 178.80 1xrh h HIS 27 N 0.09 0.77 -0.52 2.06 3.86 -1.83 -3.11 115.15 116.46 1xrh h HIS 27 Ca 0.02 -0.51 0.06 0.00 -1.16 0.00 0.00 60.37 58.77 1xrh h HIS 27 Cb 0.31 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 1xrh h HIS 27 CO 0.00 1.37 0.35 0.00 0.86 0.00 0.00 177.93 180.51 1xrh h ALA 28 N 0.20 1.87 0.31 2.45 0.00 -0.82 -1.41 119.26 121.86 1xrh h ALA 28 Ca -0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1xrh h ALA 28 Cb 1.75 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1xrh h ALA 28 CO 0.19 0.05 -0.15 0.00 0.00 0.00 0.00 179.25 179.34 1xrh h ALA 29 N 1.71 -0.42 -0.36 0.00 0.00 -0.87 -0.26 119.26 119.06 1xrh h ALA 29 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xrh h ALA 29 Cb 0.27 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xrh h ALA 29 CO -0.06 -0.67 0.22 1.15 0.00 0.00 0.00 179.25 179.89 1xrh h THR 30 N -0.56 1.12 -0.21 0.00 2.02 -1.33 0.61 112.91 114.55 1xrh h THR 30 Ca -0.04 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 66.92 1xrh h THR 30 Cb 0.41 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1xrh h THR 30 CO 0.07 0.12 -0.10 0.58 0.37 0.00 0.00 175.52 176.55 1xrh h VAL 31 N 0.46 0.67 -0.80 3.16 2.07 -1.25 -1.38 116.25 119.17 1xrh h VAL 31 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.71 1xrh h VAL 31 Cb 0.00 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1xrh h VAL 31 CO -0.02 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.09 1xrh h ALA 32 N 1.10 1.62 -0.08 1.67 0.00 -0.22 -0.68 119.26 122.67 1xrh h ALA 32 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xrh h ALA 32 Cb 0.25 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xrh h ALA 32 CO -0.27 0.26 0.03 1.49 0.00 0.00 0.00 179.25 180.76 1xrh h GLU 33 N 0.88 0.13 -0.63 0.00 4.81 0.11 -1.59 114.58 118.28 1xrh h GLU 33 Ca 0.35 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1xrh h GLU 33 Cb 0.23 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1xrh h GLU 33 CO -0.12 0.28 0.25 0.28 -0.73 0.00 0.00 179.01 178.97 1xrh h VAL 34 N -0.05 1.22 -0.25 0.32 2.07 -0.68 -1.01 116.25 117.87 1xrh h VAL 34 Ca 0.03 -0.69 -0.15 0.00 0.82 0.00 0.00 66.70 66.71 1xrh h VAL 34 Cb 0.21 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1xrh h VAL 34 CO -0.00 0.28 -0.46 -0.07 0.02 0.00 0.00 177.57 177.33 1xrh h LEU 35 N 0.90 0.70 -0.90 2.57 3.38 -0.88 -2.84 115.31 118.25 1xrh h LEU 35 Ca 0.21 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1xrh h LEU 35 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1xrh h LEU 35 CO -0.02 1.05 -0.37 0.58 0.09 0.00 0.00 178.44 179.78 1xrh h VAL 36 N 0.52 1.30 0.00 1.22 2.07 -0.98 -2.35 116.25 118.02 1xrh h VAL 36 Ca 0.03 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.12 1xrh h VAL 36 Cb 1.00 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 1xrh h VAL 36 CO 0.09 0.45 -0.29 0.22 0.02 0.00 0.00 177.57 178.06 1xrh h TYR 37 N 0.30 -0.80 0.06 1.57 3.20 -1.06 0.15 116.97 120.40 1xrh h TYR 37 Ca 0.03 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1xrh h TYR 37 Cb 0.79 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 1xrh h TYR 37 CO 0.02 -0.39 -0.12 0.00 -1.64 0.00 0.00 178.16 176.03 1xrh h ALA 38 N 0.33 -0.19 -0.77 1.82 0.00 -1.27 -2.09 119.26 117.08 1xrh h ALA 38 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1xrh h ALA 38 Cb 0.53 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1xrh h ALA 38 CO -0.25 -0.63 0.49 -0.44 0.00 0.00 0.00 179.25 178.42 1xrh h ASP 39 N -0.24 0.80 -0.46 0.00 3.32 -1.22 -0.83 116.42 117.78 1xrh h ASP 39 Ca 0.02 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.11 1xrh h ASP 39 Cb 0.26 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1xrh h ASP 39 CO -0.08 0.54 0.31 0.00 -1.72 0.00 0.00 179.24 178.29 1xrh h ALA 40 N 1.33 1.80 -0.02 3.45 0.00 -0.35 -1.64 119.26 123.84 1xrh h ALA 40 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1xrh h ALA 40 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xrh h ALA 40 CO -0.12 0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.81 1xrh n ARG 41 N -4.48 1.55 -0.15 0.00 1.74 -0.66 -2.70 116.66 111.96 1xrh n ARG 41 Ca 0.05 -0.80 0.00 0.00 -0.77 0.00 0.00 57.85 56.33 1xrh n ARG 41 Cb 0.15 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1xrh n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xrh n GLY 42 N 1.14 0.68 2.43 -0.13 0.00 -0.62 -4.58 105.19 104.11 1xrh n GLY 42 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1xrh n GLY 42 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xrh n ILE 43 N -2.00 4.70 0.15 -0.61 5.41 -0.41 -4.71 119.36 121.89 1xrh n ILE 43 Ca 0.00 -3.45 0.13 0.00 1.00 0.00 0.00 62.75 60.43 1xrh n ILE 43 Cb 0.00 -2.37 0.66 0.00 -0.71 0.00 0.00 39.64 37.22 1xrh n ILE 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 1xrh h HIS 44 N 4.90 0.00 0.00 1.39 3.86 -1.88 -0.02 115.15 123.40 1xrh h HIS 44 Ca 0.77 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.98 1xrh h HIS 44 Cb 0.32 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1xrh h HIS 44 CO 1.72 0.00 0.00 0.66 0.86 0.00 0.00 177.93 181.17 1xrh h SER 45 N 0.00 0.00 -0.18 2.45 4.64 -1.95 -0.93 113.55 117.58 1xrh h SER 45 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1xrh h SER 45 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1xrh h SER 45 CO -0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1xrh n HIS 46 N -3.03 0.62 -0.49 4.77 -0.00 -0.03 -4.81 115.22 112.24 1xrh n HIS 46 Ca -0.02 -0.89 0.00 0.00 -0.00 0.00 0.00 57.72 56.81 1xrh n HIS 46 Cb 0.14 -0.25 0.00 0.00 -0.00 0.00 0.00 29.99 29.89 1xrh n HIS 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xrh n GLY 47 N -0.75 2.13 0.38 -1.41 0.00 -0.36 -4.63 105.19 100.55 1xrh n GLY 47 Ca 0.19 -1.81 0.20 0.00 0.00 0.00 0.00 46.02 44.59 1xrh n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrh h ALA 48 N -0.86 2.47 -0.14 4.61 0.00 -1.80 -1.06 119.26 122.48 1xrh h ALA 48 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1xrh h ALA 48 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xrh h ALA 48 CO 0.00 -0.62 0.43 -0.24 0.00 0.00 0.00 179.25 178.83 1xrh h VAL 49 N 0.03 0.11 0.00 0.00 3.04 -1.93 -0.62 116.25 116.87 1xrh h VAL 49 Ca 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.94 1xrh h VAL 49 Cb 0.97 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 1xrh h VAL 49 CO -0.01 0.00 -0.40 0.54 -1.01 0.00 0.00 177.57 176.69 1xrh n ARG 50 N -3.10 0.03 -0.09 4.17 5.12 -0.40 -4.46 116.66 117.93 1xrh n ARG 50 Ca 0.01 0.01 -0.06 0.00 -1.93 0.00 0.00 57.85 55.88 1xrh n ARG 50 Cb 0.52 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 1xrh n ARG 50 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1xrh h VAL 51 N 0.00 0.82 -0.98 1.55 2.07 -1.28 -1.20 116.25 117.21 1xrh h VAL 51 Ca 0.00 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1xrh h VAL 51 Cb 0.52 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1xrh h VAL 51 CO 0.00 0.03 0.64 -0.08 0.02 0.00 0.00 177.57 178.18 1xrh h GLU 52 N 0.14 1.18 -0.43 1.57 4.81 -1.80 0.44 114.58 120.49 1xrh h GLU 52 Ca 0.15 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 1xrh h GLU 52 Cb 0.18 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1xrh h GLU 52 CO -0.22 0.78 -0.29 -0.92 -0.73 0.00 0.00 179.01 177.63 1xrh h TYR 53 N 1.21 1.11 -0.53 0.92 3.20 -1.77 -2.40 116.97 118.70 1xrh h TYR 53 Ca 0.40 -0.30 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1xrh h TYR 53 Cb 0.06 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1xrh h TYR 53 CO -0.00 1.12 0.16 1.88 -1.64 0.00 0.00 178.16 179.68 1xrh h TYR 54 N 0.80 0.86 -0.58 -3.82 0.05 0.10 -2.38 116.97 112.01 1xrh h TYR 54 Ca 0.09 -0.09 0.06 0.00 0.05 0.00 0.00 58.73 58.84 1xrh h TYR 54 Cb 0.88 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 38.31 1xrh h TYR 54 CO 0.06 0.74 0.29 0.00 -1.05 0.00 0.00 178.16 178.19 1xrh h ALA 55 N 1.03 0.75 -0.67 3.88 0.00 -0.09 0.58 119.26 124.74 1xrh h ALA 55 Ca 0.17 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xrh h ALA 55 Cb 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1xrh h ALA 55 CO -0.00 -0.06 0.34 1.49 0.00 0.00 0.00 179.25 181.01 1xrh h GLU 56 N 0.54 0.96 -0.30 0.00 4.81 -1.26 -0.43 114.58 118.91 1xrh h GLU 56 Ca 0.26 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1xrh h GLU 56 Cb 0.20 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1xrh h GLU 56 CO -0.19 0.75 -0.22 -0.09 -0.73 0.00 0.00 179.01 178.53 1xrh h ARG 57 N 0.93 0.67 -0.46 1.92 2.43 -0.86 -0.07 114.38 118.95 1xrh h ARG 57 Ca 0.23 -0.33 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1xrh h ARG 57 Cb 0.10 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1xrh h ARG 57 CO -0.03 0.93 0.26 0.82 -1.51 0.00 0.00 179.97 180.44 1xrh h ILE 58 N 0.42 1.02 0.42 1.20 2.04 -0.71 0.43 117.51 122.33 1xrh h ILE 58 Ca 0.06 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1xrh h ILE 58 Cb 0.77 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1xrh h ILE 58 CO 0.06 0.10 -0.47 -1.28 0.00 0.00 0.00 178.15 176.56 1xrh h SER 59 N 0.53 -1.29 0.07 1.72 0.87 -0.94 -2.28 113.55 112.22 1xrh h SER 59 Ca 0.19 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1xrh h SER 59 Cb 0.04 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1xrh h SER 59 CO -0.10 -0.61 0.00 0.29 -0.53 0.00 0.00 176.83 175.88 1xrh n LYS 60 N -5.53 0.54 -0.46 2.24 4.76 -0.05 -4.89 118.16 114.76 1xrh n LYS 60 Ca -0.11 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1xrh n LYS 60 Cb 0.43 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 1xrh n LYS 60 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xrh n GLY 61 N 0.23 0.77 0.17 0.72 0.00 -0.67 -4.40 105.19 102.01 1xrh n GLY 61 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1xrh n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xrh h GLY 62 N 0.00 0.00 -5.88 -0.02 0.00 0.13 -3.40 103.07 93.90 1xrh h GLY 62 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 1xrh h GLY 62 CO 0.00 0.00 -0.85 -1.59 0.00 0.00 0.00 176.54 174.10 1xrh s THR 63 N -3.45 1.84 0.06 4.70 2.01 -1.22 -3.45 115.64 116.13 1xrh s THR 63 Ca 0.02 -0.84 -0.31 0.00 0.31 0.00 0.00 61.69 60.88 1xrh s THR 63 Cb 0.09 -1.65 -0.08 0.00 0.01 0.00 0.00 72.50 70.87 1xrh s THR 63 CO 0.38 0.51 1.53 0.21 -0.69 0.00 0.00 174.62 176.56 1xrh s ASN 64 N 0.97 6.71 0.17 3.53 2.47 -0.82 -4.68 114.94 123.29 1xrh s ASN 64 Ca -0.05 2.37 0.23 0.00 0.42 0.00 0.00 52.86 55.83 1xrh s ASN 64 Cb -0.15 -2.57 0.16 0.00 -1.45 0.00 0.00 41.25 37.24 1xrh s ASN 64 CO -0.04 -0.80 1.18 0.03 -3.72 0.00 0.00 177.10 173.76 1xrh h ARG 65 N 7.81 0.00 -2.10 0.43 3.08 -1.91 -3.39 114.38 118.31 1xrh h ARG 65 Ca -0.41 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.10 1xrh h ARG 65 Cb 1.20 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.83 1xrh h ARG 65 CO 0.91 0.00 -0.88 0.39 -1.07 0.00 0.00 179.97 179.33 1xrh n GLU 66 N -2.43 2.32 -2.00 0.04 1.02 -1.26 -4.53 120.64 113.80 1xrh n GLU 66 Ca 0.02 -4.23 -0.41 0.00 -0.02 0.00 0.00 57.16 52.52 1xrh n GLU 66 Cb 0.50 -2.00 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 1xrh n GLU 66 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1xrh s PRO 67 N -3.07 4.27 -0.96 3.49 0.04 -1.26 -4.98 135.00 132.52 1xrh s PRO 67 Ca 0.45 2.34 -0.11 0.00 0.04 0.00 0.00 61.00 63.72 1xrh s PRO 67 Cb 0.32 -3.05 0.25 0.00 0.04 0.00 0.00 34.50 32.06 1xrh s PRO 67 CO -0.11 -0.33 0.92 -1.21 0.04 0.00 0.00 177.00 176.31 1xrh s GLU 68 N -1.64 3.85 0.40 4.56 2.02 -1.26 -5.05 118.70 121.59 1xrh s GLU 68 Ca 0.52 -2.86 -0.26 0.00 0.02 0.00 0.00 54.97 52.39 1xrh s GLU 68 Cb -0.42 -4.46 -0.09 0.00 0.10 0.00 0.00 34.13 29.27 1xrh s GLU 68 CO 0.54 -1.26 1.27 -0.06 0.02 0.00 0.00 175.26 175.77 1xrh s PHE 69 N -0.58 2.89 -0.26 1.61 2.99 -1.26 -4.60 117.98 118.77 1xrh s PHE 69 Ca 0.24 1.45 -0.01 0.00 0.00 0.00 0.00 56.93 58.61 1xrh s PHE 69 Cb -0.10 -3.60 0.13 0.00 0.00 0.00 0.00 43.02 39.44 1xrh s PHE 69 CO -0.09 -1.89 0.30 0.50 -0.00 0.00 0.00 175.22 174.05 1xrh s ARG 70 N -2.23 0.30 -0.36 0.44 3.52 -1.18 -5.00 118.95 114.44 1xrh s ARG 70 Ca 0.57 0.06 -0.26 0.00 -0.13 0.00 0.00 55.73 55.96 1xrh s ARG 70 Cb -0.36 -0.73 0.02 0.00 -1.56 0.00 0.00 34.95 32.31 1xrh s ARG 70 CO 0.46 -0.88 0.96 -1.17 -0.81 0.00 0.00 175.30 173.86 1xrh s LEU 71 N 2.39 3.97 -0.43 -0.88 2.96 -1.26 -2.42 118.68 123.01 1xrh s LEU 71 Ca 0.09 0.67 -0.09 0.00 -0.22 0.00 0.00 54.13 54.59 1xrh s LEU 71 Cb -0.14 -3.32 0.09 0.00 0.50 0.00 0.00 46.19 43.32 1xrh s LEU 71 CO -0.25 -0.86 0.28 -0.70 -1.32 0.00 0.00 176.35 173.49 1xrh s GLU 72 N 3.52 2.51 -0.17 1.98 2.12 -0.05 -4.97 118.70 123.64 1xrh s GLU 72 Ca 0.40 -1.59 -0.29 0.00 0.36 0.00 0.00 54.97 53.85 1xrh s GLU 72 Cb -0.12 -3.80 -0.00 0.00 0.26 0.00 0.00 34.13 30.47 1xrh s GLU 72 CO 0.18 -1.04 1.01 -1.21 -0.54 0.00 0.00 175.26 173.66 1xrh s GLU 73 N 1.38 4.34 -0.00 4.30 2.02 -1.26 -0.78 118.70 128.69 1xrh s GLU 73 Ca 0.04 1.36 0.19 0.00 0.02 0.00 0.00 54.97 56.58 1xrh s GLU 73 Cb -0.24 -3.59 -0.22 0.00 0.10 0.00 0.00 34.13 30.17 1xrh s GLU 73 CO 0.01 -0.47 0.75 0.25 0.02 0.00 0.00 175.26 175.82 1xrh n THR 74 N 4.93 0.00 -3.87 3.63 -2.24 -0.07 -4.97 114.28 111.68 1xrh n THR 74 Ca 0.10 -0.11 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1xrh n THR 74 Cb 0.47 0.85 0.02 0.00 -2.10 0.00 0.00 70.33 69.57 1xrh n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xrh n GLY 75 N 1.44 0.60 0.36 3.38 0.00 -0.95 -4.94 105.19 105.07 1xrh n GLY 75 Ca 0.02 -1.10 0.09 0.00 0.00 0.00 0.00 46.02 45.03 1xrh n GLY 75 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xrh h PRO 76 N 0.00 0.87 -0.05 1.61 0.11 -1.99 -2.96 132.00 129.59 1xrh h PRO 76 Ca -0.23 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1xrh h PRO 76 Cb 1.05 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1xrh h PRO 76 CO 0.31 0.58 -0.16 0.00 -0.21 0.00 0.00 178.00 178.52 1xrh s SER 78 N -2.88 -0.24 0.19 0.00 1.04 -1.12 -1.23 113.70 109.46 1xrh s SER 78 Ca 0.36 0.43 -0.20 0.00 0.48 0.00 0.00 55.95 57.02 1xrh s SER 78 Cb 0.32 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.96 1xrh s SER 78 CO 0.00 -0.14 0.57 0.00 0.98 0.00 0.00 173.24 174.65 1xrh s ALA 79 N -0.08 -1.20 -0.09 5.32 0.00 -1.05 -0.90 121.76 123.76 1xrh s ALA 79 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1xrh s ALA 79 Cb -0.02 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1xrh s ALA 79 CO 0.01 -0.81 -0.09 0.42 0.00 0.00 0.00 175.76 175.29 1xrh s ILE 80 N -3.83 1.00 -0.40 0.00 1.01 0.04 -1.61 121.20 117.41 1xrh s ILE 80 Ca 0.06 -0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 1xrh s ILE 80 Cb -0.01 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.48 1xrh s ILE 80 CO -0.06 0.35 0.27 -0.22 0.00 0.00 0.00 174.94 175.28 1xrh s LEU 81 N 1.33 4.97 -0.36 2.97 2.96 -0.19 -0.87 118.68 129.49 1xrh s LEU 81 Ca -0.02 -0.90 -0.29 0.00 -0.22 0.00 0.00 54.13 52.70 1xrh s LEU 81 Cb -0.14 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.45 1xrh s LEU 81 CO -0.04 -0.42 1.18 -1.00 -1.32 0.00 0.00 176.35 174.75 1xrh s HIS 82 N 1.65 2.88 -1.61 5.38 3.76 -1.02 -0.55 115.29 125.79 1xrh s HIS 82 Ca 0.04 0.94 0.28 0.00 -0.15 0.00 0.00 55.06 56.18 1xrh s HIS 82 Cb -0.19 -4.00 1.11 0.00 1.11 0.00 0.00 32.58 30.62 1xrh s HIS 82 CO 0.09 -1.24 1.79 0.00 -0.85 0.00 0.00 174.74 174.54 1xrh n ALA 83 N 7.47 2.83 -2.06 -1.40 0.00 0.20 -3.09 120.51 124.45 1xrh n ALA 83 Ca 0.13 -0.29 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 1xrh n ALA 83 Cb 0.48 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1xrh n ALA 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xrh n ASP 84 N -0.94 -5.12 -1.56 0.00 4.64 -1.13 -0.73 116.55 111.71 1xrh n ASP 84 Ca 0.13 0.21 -0.14 0.00 -1.38 0.00 0.00 54.79 53.62 1xrh n ASP 84 Cb 0.29 -4.40 -0.01 0.00 -1.04 0.00 0.00 41.12 35.97 1xrh n ASP 84 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 1xrh n ASN 85 N -1.61 -4.21 -4.72 1.67 3.02 0.17 -4.61 115.26 104.97 1xrh n ASN 85 Ca -0.20 -0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.03 1xrh n ASN 85 Cb 0.64 -3.38 0.14 0.00 -0.61 0.00 0.00 39.78 36.57 1xrh n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xrh s ALA 86 N -2.68 1.56 0.21 5.41 0.00 0.09 -1.94 121.76 124.40 1xrh s ALA 86 Ca 0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 51.96 51.52 1xrh s ALA 86 Cb -0.00 -3.17 -0.14 0.00 0.00 0.00 0.00 23.12 19.81 1xrh s ALA 86 CO 0.00 -2.34 1.47 0.00 0.00 0.00 0.00 175.76 174.90 1xrh n ALA 87 N -3.87 1.19 -0.34 0.00 0.00 -1.26 -1.74 120.51 114.49 1xrh n ALA 87 Ca 0.07 0.43 0.06 0.00 0.00 0.00 0.00 53.44 53.99 1xrh n ALA 87 Cb 0.56 -2.30 0.24 0.00 0.00 0.00 0.00 19.45 17.94 1xrh n ALA 87 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xrh h GLY 88 N 4.88 1.48 0.82 0.00 0.00 -1.65 -2.44 103.07 106.17 1xrh h GLY 88 Ca -0.45 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 46.50 1xrh h GLY 88 CO 0.81 0.24 0.57 1.46 0.00 0.00 0.00 176.54 179.61 1xrh h GLN 89 N 1.02 1.04 0.34 4.80 7.50 -1.74 -0.41 115.11 127.66 1xrh h GLN 89 Ca 0.45 -0.06 -0.02 0.00 0.50 0.00 0.00 58.65 59.52 1xrh h GLN 89 Cb 0.35 -0.24 0.00 0.00 0.05 0.00 0.00 27.48 27.65 1xrh h GLN 89 CO -0.20 0.69 -0.16 0.28 -1.50 0.00 0.00 178.83 177.94 1xrh h VAL 90 N 1.07 0.60 0.07 -0.54 2.07 -1.79 -1.71 116.25 116.03 1xrh h VAL 90 Ca 0.36 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1xrh h VAL 90 Cb 0.06 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1xrh h VAL 90 CO -0.14 0.11 -0.14 0.00 0.02 0.00 0.00 177.57 177.43 1xrh h ALA 91 N -0.38 -0.22 -0.64 1.67 0.00 -1.39 -2.83 119.26 115.47 1xrh h ALA 91 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xrh h ALA 91 Cb 0.53 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1xrh h ALA 91 CO 0.08 -0.65 0.40 0.00 0.00 0.00 0.00 179.25 179.08 1xrh h ALA 92 N 0.63 0.81 0.00 0.00 0.00 -1.15 -0.56 119.26 118.99 1xrh h ALA 92 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xrh h ALA 92 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xrh h ALA 92 CO -0.08 0.27 0.00 1.17 0.00 0.00 0.00 179.25 180.60 1xrh n LYS 93 N -4.61 0.00 -0.83 0.00 4.81 -0.64 -4.58 118.16 112.31 1xrh n LYS 93 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1xrh n LYS 93 Cb 0.04 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1xrh n LYS 93 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xrh n GLY 95 N 0.56 -0.08 3.45 3.14 0.00 -0.22 -4.71 105.19 107.34 1xrh n GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xrh n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xrh n GLU 97 N -0.41 0.00 0.01 1.61 1.02 -1.26 -0.46 120.64 121.14 1xrh n GLU 97 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1xrh n GLU 97 Cb 0.08 0.00 0.34 0.00 -0.02 0.00 0.00 31.44 31.85 1xrh n GLU 97 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1xrh h HIS 98 N 0.00 0.51 -0.39 -0.32 2.76 -1.96 -0.47 115.15 115.28 1xrh h HIS 98 Ca 0.00 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.09 1xrh h HIS 98 Cb 0.00 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 1xrh h HIS 98 CO 0.00 0.46 0.07 0.00 -1.30 0.00 0.00 177.93 177.16 1xrh h ALA 99 N 1.59 0.52 -0.08 5.26 0.00 -1.16 -0.41 119.26 124.98 1xrh h ALA 99 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xrh h ALA 99 Cb 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xrh h ALA 99 CO -0.00 0.23 0.03 0.82 0.00 0.00 0.00 179.25 180.32 1xrh h ILE 100 N 0.50 1.16 -0.36 0.00 2.04 -1.69 -0.37 117.51 118.80 1xrh h ILE 100 Ca 0.12 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.54 1xrh h ILE 100 Cb 0.36 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1xrh h ILE 100 CO 0.01 0.14 0.08 0.50 0.00 0.00 0.00 178.15 178.88 1xrh h LYS 101 N -0.06 0.20 -0.24 2.37 3.64 -1.01 -0.78 116.57 120.70 1xrh h LYS 101 Ca 0.03 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1xrh h LYS 101 Cb 0.20 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1xrh h LYS 101 CO -0.00 0.13 -0.12 1.15 -2.27 0.00 0.00 179.45 178.34 1xrh h THR 102 N 0.21 1.21 0.00 1.00 2.02 -0.89 -2.64 112.91 113.82 1xrh h THR 102 Ca 0.17 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1xrh h THR 102 Cb 0.19 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1xrh h THR 102 CO -0.22 0.29 -0.31 0.00 0.37 0.00 0.00 175.52 175.65 1xrh h ALA 103 N 1.52 0.85 -0.13 6.16 0.00 -0.68 0.93 119.26 127.90 1xrh h ALA 103 Ca 0.07 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1xrh h ALA 103 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xrh h ALA 103 CO 0.02 0.07 -0.44 0.37 0.00 0.00 0.00 179.25 179.28 1xrh h GLN 104 N 0.00 0.30 0.08 0.00 5.75 -0.79 -1.02 115.11 119.43 1xrh h GLN 104 Ca -0.00 -0.15 -0.36 0.00 -0.15 0.00 0.00 58.65 57.98 1xrh h GLN 104 Cb 1.05 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 1xrh h GLN 104 CO 0.01 0.69 -2.07 0.94 -2.65 0.00 0.00 178.83 175.74 1xrh n GLN 105 N -4.01 0.71 -0.09 1.69 -0.06 -1.10 -4.65 117.38 109.88 1xrh n GLN 105 Ca -0.02 0.26 0.07 0.00 -2.00 0.00 0.00 57.00 55.32 1xrh n GLN 105 Cb 0.50 -1.66 0.11 0.00 -4.06 0.00 0.00 30.24 25.14 1xrh n GLN 105 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1xrh n ASN 106 N -3.56 2.43 0.00 1.69 3.02 0.32 -5.00 115.26 114.15 1xrh n ASN 106 Ca -0.37 -2.74 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 1xrh n ASN 106 Cb 0.99 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 1xrh n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xrh n GLY 107 N -1.01 2.57 3.36 7.41 0.00 -0.39 -4.92 105.19 112.22 1xrh n GLY 107 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1xrh n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xrh s VAL 108 N -0.75 0.03 -0.19 1.61 1.01 -1.26 -1.56 120.40 119.31 1xrh s VAL 108 Ca 0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 1xrh s VAL 108 Cb 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.66 1xrh s VAL 108 CO 0.00 -0.14 0.49 0.00 0.00 0.00 0.00 175.10 175.44 1xrh s ALA 109 N -1.17 -1.21 -0.20 5.51 0.00 -0.01 -4.25 121.76 120.43 1xrh s ALA 109 Ca -0.12 1.43 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 1xrh s ALA 109 Cb -0.03 -0.84 0.06 0.00 0.00 0.00 0.00 23.12 22.31 1xrh s ALA 109 CO 0.06 -0.24 0.02 0.08 0.00 0.00 0.00 175.76 175.68 1xrh s VAL 110 N 0.44 0.73 -0.14 0.00 1.01 -0.37 -0.50 120.40 121.57 1xrh s VAL 110 Ca -0.01 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1xrh s VAL 110 Cb -0.04 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1xrh s VAL 110 CO -0.02 -0.19 -0.18 -0.69 0.00 0.00 0.00 175.10 174.02 1xrh s VAL 111 N 1.76 1.79 0.28 2.92 1.01 -0.12 -2.51 120.40 125.54 1xrh s VAL 111 Ca -0.02 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 1xrh s VAL 111 Cb -0.17 -1.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1xrh s VAL 111 CO -0.08 0.50 0.60 -0.83 0.00 0.00 0.00 175.10 175.29 1xrh s GLY 112 N 1.04 2.10 -0.28 4.51 0.00 -0.64 -0.49 107.32 113.56 1xrh s GLY 112 Ca -0.04 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.37 1xrh s GLY 112 CO -0.05 -0.18 -0.06 -0.42 0.00 0.00 0.00 173.10 172.39 1xrh s ILE 113 N -2.00 2.55 -0.22 0.90 -1.09 0.60 -1.02 121.20 120.91 1xrh s ILE 113 Ca 0.47 -1.53 -0.08 0.00 -2.23 0.00 0.00 60.65 57.28 1xrh s ILE 113 Cb -0.11 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 1xrh s ILE 113 CO 0.25 -0.08 0.09 -0.55 -1.23 0.00 0.00 174.94 173.42 1xrh s SER 114 N 1.17 5.53 0.02 3.58 0.15 0.29 -2.07 113.70 122.37 1xrh s SER 114 Ca -0.07 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1xrh s SER 114 Cb -0.20 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1xrh s SER 114 CO -0.03 0.06 0.00 0.54 1.20 0.00 0.00 173.24 175.01 1xrh n ARG 115 N 4.28 -4.55 -1.17 5.44 1.74 -1.08 0.59 116.66 121.91 1xrh n ARG 115 Ca -0.16 3.36 0.00 0.00 -0.77 0.00 0.00 57.85 60.29 1xrh n ARG 115 Cb 0.52 -4.19 0.00 0.00 -1.02 0.00 0.00 32.46 27.77 1xrh n ARG 115 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xrh n GLY 117 N 1.60 5.20 3.75 -0.13 0.00 -0.71 0.44 105.19 115.34 1xrh n GLY 117 Ca 0.00 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1xrh n GLY 117 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xrh s HIS 118 N -0.06 2.80 -2.09 1.61 2.46 -1.26 -3.92 115.29 114.83 1xrh s HIS 118 Ca 0.00 0.91 0.20 0.00 0.47 0.00 0.00 55.06 56.63 1xrh s HIS 118 Cb 0.00 -4.00 0.36 0.00 -0.13 0.00 0.00 32.58 28.81 1xrh s HIS 118 CO 0.00 -3.26 1.30 -1.13 -2.47 0.00 0.00 174.74 169.19 1xrh n SER 119 N 1.93 3.18 0.00 9.88 3.41 -1.26 -2.95 113.62 127.82 1xrh n SER 119 Ca 0.07 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1xrh n SER 119 Cb 0.38 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1xrh n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xrh n GLY 120 N 1.24 -1.36 3.59 5.00 0.00 -1.26 -4.24 105.19 108.15 1xrh n GLY 120 Ca 0.16 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1xrh n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrh s ALA 121 N -1.25 2.89 -0.83 4.61 0.00 -1.26 -4.83 121.76 121.09 1xrh s ALA 121 Ca 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.61 1xrh s ALA 121 Cb 0.00 -4.04 0.38 0.00 0.00 0.00 0.00 23.12 19.46 1xrh s ALA 121 CO 0.00 -2.73 1.24 0.44 0.00 0.00 0.00 175.76 174.72 1xrh n ILE 122 N 6.98 1.58 0.31 0.00 -5.35 -1.26 -1.43 119.36 120.19 1xrh n ILE 122 Ca 0.15 0.48 0.14 0.00 -0.27 0.00 0.00 62.75 63.24 1xrh n ILE 122 Cb 0.49 -1.43 0.62 0.00 -1.74 0.00 0.00 39.64 37.58 1xrh n ILE 122 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1xrh h SER 123 N 0.00 0.00 -0.46 7.28 4.64 -1.92 -2.61 113.55 120.47 1xrh h SER 123 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1xrh h SER 123 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1xrh h SER 123 CO 0.00 0.00 0.26 0.22 -0.87 0.00 0.00 176.83 176.44 1xrh h TYR 124 N 0.00 0.63 -0.27 4.77 3.20 -1.64 -1.39 116.97 122.28 1xrh h TYR 124 Ca 0.00 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 1xrh h TYR 124 Cb 0.25 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1xrh h TYR 124 CO 0.00 0.46 -0.34 0.74 -1.64 0.00 0.00 178.16 177.38 1xrh h PHE 125 N 0.61 0.67 -0.15 -3.82 -1.00 -1.69 -2.83 116.94 108.73 1xrh h PHE 125 Ca 0.16 -0.18 -0.15 0.00 2.81 0.00 0.00 57.97 60.62 1xrh h PHE 125 Cb 0.03 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 1xrh h PHE 125 CO -0.02 0.85 -0.53 -0.39 -1.61 0.00 0.00 178.31 176.61 1xrh h VAL 126 N 0.49 1.33 -0.32 -0.55 -1.51 -1.54 -2.41 116.25 111.74 1xrh h VAL 126 Ca 0.05 -1.78 0.02 0.00 -1.23 0.00 0.00 66.70 63.76 1xrh h VAL 126 Cb 0.83 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 31.76 1xrh h VAL 126 CO 0.07 0.55 0.21 1.56 -1.23 0.00 0.00 177.57 178.73 1xrh h GLN 127 N 0.34 0.34 -0.42 5.19 4.20 -1.02 -2.08 115.11 121.67 1xrh h GLN 127 Ca 0.01 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.75 1xrh h GLN 127 Cb 1.04 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.70 1xrh h GLN 127 CO 0.09 0.22 0.14 1.96 -0.67 0.00 0.00 178.83 180.57 1xrh h GLN 128 N 0.35 0.29 -0.85 1.46 4.20 -1.22 0.58 115.11 119.91 1xrh h GLN 128 Ca 0.13 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.84 1xrh h GLN 128 Cb 0.08 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1xrh h GLN 128 CO -0.03 0.19 0.56 0.00 -0.67 0.00 0.00 178.83 178.88 1xrh h ALA 129 N 1.28 1.10 -0.27 3.87 0.00 -1.37 -2.27 119.26 121.59 1xrh h ALA 129 Ca 0.20 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1xrh h ALA 129 Cb 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xrh h ALA 129 CO -0.21 0.46 -0.51 0.00 0.00 0.00 0.00 179.25 178.99 1xrh h ALA 130 N 1.33 0.43 -0.22 0.00 0.00 -0.90 0.14 119.26 120.04 1xrh h ALA 130 Ca 0.32 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1xrh h ALA 130 Cb -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xrh h ALA 130 CO -0.08 0.62 0.20 0.00 0.00 0.00 0.00 179.25 179.99 1xrh h ARG 131 N 0.60 0.00 -0.25 0.00 3.08 -0.66 0.59 114.38 117.74 1xrh h ARG 131 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1xrh h ARG 131 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1xrh h ARG 131 CO 0.12 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 1xrh n ALA 132 N -2.43 2.48 -0.76 0.04 0.00 -0.71 -4.88 120.51 114.24 1xrh n ALA 132 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1xrh n ALA 132 Cb 0.34 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1xrh n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xrh n GLY 133 N 1.05 0.60 3.75 0.00 0.00 0.21 -5.05 105.19 105.75 1xrh n GLY 133 Ca 0.13 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1xrh n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xrh s PHE 134 N -2.00 2.64 -0.15 1.61 2.99 0.42 -4.57 117.98 118.92 1xrh s PHE 134 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 56.93 56.24 1xrh s PHE 134 Cb 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 43.02 41.08 1xrh s PHE 134 CO 0.00 0.19 0.43 0.42 -0.00 0.00 0.00 175.22 176.26 1xrh s ILE 135 N -2.54 5.20 -0.05 0.64 1.01 0.03 -3.06 121.20 122.43 1xrh s ILE 135 Ca 0.41 0.83 0.06 0.00 0.00 0.00 0.00 60.65 61.95 1xrh s ILE 135 Cb 0.01 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 1xrh s ILE 135 CO 0.23 0.30 -0.22 -0.83 0.00 0.00 0.00 174.94 174.42 1xrh s GLY 136 N 0.75 1.35 -0.03 6.18 0.00 -0.01 -1.58 107.32 113.97 1xrh s GLY 136 Ca 0.23 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.93 1xrh s GLY 136 CO 0.09 -0.73 -0.10 -0.42 0.00 0.00 0.00 173.10 171.93 1xrh s ILE 137 N -0.38 0.87 0.30 0.90 1.01 -0.17 -1.19 121.20 122.54 1xrh s ILE 137 Ca 0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 1xrh s ILE 137 Cb -0.12 -0.78 -0.00 0.00 0.01 0.00 0.00 42.46 41.57 1xrh s ILE 137 CO 0.02 0.27 0.44 -0.55 0.00 0.00 0.00 174.94 175.11 1xrh s SER 138 N 0.23 0.56 -0.18 3.58 0.15 -0.18 -1.38 113.70 116.49 1xrh s SER 138 Ca -0.04 -1.33 -0.35 0.00 0.70 0.00 0.00 55.95 54.93 1xrh s SER 138 Cb -0.10 0.61 0.15 0.00 -1.71 0.00 0.00 66.02 64.97 1xrh s SER 138 CO 0.01 -1.20 1.37 0.00 1.20 0.00 0.00 173.24 174.62 1xrh s GLN 141 N -2.12 3.56 0.08 0.00 -0.21 -1.07 -3.55 119.66 116.34 1xrh s GLN 141 Ca 0.13 1.05 -0.05 0.00 0.02 0.00 0.00 55.36 56.52 1xrh s GLN 141 Cb 0.03 -2.07 -0.02 0.00 1.00 0.00 0.00 33.01 31.94 1xrh s GLN 141 CO -0.04 -0.60 0.08 0.45 -2.12 0.00 0.00 175.29 173.06 1xrh s SER 142 N -3.07 0.30 0.02 5.90 0.15 -1.26 -4.83 113.70 110.91 1xrh s SER 142 Ca 0.61 -0.86 -0.38 0.00 0.70 0.00 0.00 55.95 56.01 1xrh s SER 142 Cb -0.13 0.28 -0.18 0.00 -1.71 0.00 0.00 66.02 64.28 1xrh s SER 142 CO 0.37 -0.68 1.29 0.47 1.20 0.00 0.00 173.24 175.90 1xrh n ASP 143 N 0.01 1.19 -4.69 5.45 10.43 -1.26 -3.71 116.55 123.97 1xrh n ASP 143 Ca -0.13 1.13 -0.44 0.00 2.57 0.00 0.00 54.79 57.92 1xrh n ASP 143 Cb 0.62 -1.10 -0.02 0.00 1.84 0.00 0.00 41.12 42.46 1xrh n ASP 143 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 1xrh n PRO 144 N 2.43 2.11 -1.54 -0.24 -0.02 -1.26 -4.08 135.00 132.40 1xrh n PRO 144 Ca 0.20 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1xrh n PRO 144 Cb 0.15 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1xrh n PRO 144 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xrh n VAL 146 N 1.32 -3.91 -3.32 -1.45 0.31 -0.62 -4.89 118.33 105.77 1xrh n VAL 146 Ca 0.09 1.81 -0.37 0.00 -0.01 0.00 0.00 64.34 65.86 1xrh n VAL 146 Cb 0.34 -2.55 -0.06 0.00 -0.91 0.00 0.00 33.84 30.66 1xrh n VAL 146 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1xrh s VAL 147 N -3.72 4.80 0.93 2.52 -7.23 -0.99 -0.13 120.40 116.58 1xrh s VAL 147 Ca 0.00 0.99 -0.11 0.00 -1.81 0.00 0.00 61.98 61.05 1xrh s VAL 147 Cb 0.00 -3.80 0.15 0.00 0.56 0.00 0.00 36.38 33.29 1xrh s VAL 147 CO 0.00 0.36 1.09 -2.16 -0.31 0.00 0.00 175.10 174.08 1xrh s PRO 148 N -1.63 0.97 0.27 4.82 0.04 -1.26 -4.49 135.00 133.73 1xrh s PRO 148 Ca 0.34 1.00 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 1xrh s PRO 148 Cb -0.17 -1.76 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 1xrh s PRO 148 CO 0.19 -2.49 1.59 0.34 0.04 0.00 0.00 177.00 176.67 1xrh n PHE 149 N -4.08 2.75 -0.31 0.56 7.35 -1.26 -1.10 117.46 121.38 1xrh n PHE 149 Ca 0.07 0.24 0.00 0.00 -0.76 0.00 0.00 57.45 57.01 1xrh n PHE 149 Cb 0.54 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.78 1xrh n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xrh n GLY 150 N 2.45 1.94 4.00 7.13 0.00 -1.26 -5.00 105.19 114.44 1xrh n GLY 150 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1xrh n GLY 150 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xrh s GLY 151 N -2.00 1.81 -0.02 -0.02 0.00 -0.26 -5.06 107.32 101.78 1xrh s GLY 151 Ca 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 44.72 43.10 1xrh s GLY 151 CO 0.00 -1.26 0.89 0.00 0.00 0.00 0.00 173.10 172.73 1xrh n ALA 152 N -2.38 1.77 -2.57 3.20 0.00 -1.26 -4.58 120.51 114.69 1xrh n ALA 152 Ca 0.11 -1.07 -0.23 0.00 0.00 0.00 0.00 53.44 52.26 1xrh n ALA 152 Cb 0.60 -0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 1xrh n ALA 152 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1xrh s GLU 153 N -0.91 1.13 0.46 0.00 2.02 -1.26 -4.66 118.70 115.49 1xrh s GLU 153 Ca 0.04 -0.93 -0.22 0.00 0.02 0.00 0.00 54.97 53.88 1xrh s GLU 153 Cb 0.03 -1.23 -0.08 0.00 0.10 0.00 0.00 34.13 32.95 1xrh s GLU 153 CO 0.00 0.30 1.07 0.96 0.02 0.00 0.00 175.26 177.61 1xrh s ILE 154 N -0.94 3.63 0.03 -1.63 -4.36 -1.26 -4.06 121.20 112.59 1xrh s ILE 154 Ca 0.04 1.10 0.00 0.00 -0.26 0.00 0.00 60.65 61.54 1xrh s ILE 154 Cb -0.09 -3.50 0.00 0.00 1.25 0.00 0.00 42.46 40.12 1xrh s ILE 154 CO 0.02 -0.13 0.00 0.00 0.24 0.00 0.00 174.94 175.07 1xrh n TYR 155 N -0.68 -0.23 -2.34 1.37 9.36 0.81 -4.87 117.16 120.59 1xrh n TYR 155 Ca 0.08 0.04 -0.25 0.00 3.32 0.00 0.00 57.90 61.09 1xrh n TYR 155 Cb 0.51 0.44 0.11 0.00 -0.63 0.00 0.00 39.34 39.77 1xrh n TYR 155 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1xrh s TYR 156 N -1.10 2.09 0.00 2.98 1.51 -1.22 -2.43 117.35 119.18 1xrh s TYR 156 Ca 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 1xrh s TYR 156 Cb 0.00 -3.27 0.00 0.00 -0.11 0.00 0.00 41.96 38.58 1xrh s TYR 156 CO 0.00 -1.74 0.00 0.41 -1.11 0.00 0.00 175.55 173.11 1xrh n GLY 157 N -3.01 2.47 0.00 0.71 0.00 -1.24 -1.58 105.19 102.53 1xrh n GLY 157 Ca 0.12 -2.13 0.10 0.00 0.00 0.00 0.00 46.02 44.12 1xrh n GLY 157 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xrh n THR 158 N -0.68 0.31 -0.39 2.61 -2.24 -1.26 -4.76 114.28 107.86 1xrh n THR 158 Ca 0.00 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1xrh n THR 158 Cb 0.00 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 1xrh n THR 158 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xrh n ASN 159 N -1.25 0.00 -4.86 3.42 4.13 -1.26 -1.25 115.26 114.20 1xrh n ASN 159 Ca 0.11 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.06 1xrh n ASN 159 Cb 0.15 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.42 1xrh n ASN 159 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1xrh s PRO 160 N 0.00 3.33 -0.02 3.52 0.05 -1.23 -3.56 135.00 137.09 1xrh s PRO 160 Ca 0.00 0.79 -0.01 0.00 0.05 0.00 0.00 61.00 61.83 1xrh s PRO 160 Cb 0.00 -2.05 0.01 0.00 0.05 0.00 0.00 34.50 32.51 1xrh s PRO 160 CO 0.00 -0.77 0.04 -1.17 0.05 0.00 0.00 177.00 175.14 1xrh s LEU 161 N -5.31 1.71 0.02 -3.56 2.96 -1.26 -3.05 118.68 110.19 1xrh s LEU 161 Ca 0.56 0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 54.52 1xrh s LEU 161 Cb -0.12 0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.65 1xrh s LEU 161 CO 0.54 -0.03 0.01 0.00 -1.32 0.00 0.00 176.35 175.55 1xrh s ALA 162 N 0.22 0.06 0.01 5.97 0.00 -0.09 -4.50 121.76 123.44 1xrh s ALA 162 Ca -0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1xrh s ALA 162 Cb -0.03 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1xrh s ALA 162 CO -0.01 -0.20 0.00 0.12 0.00 0.00 0.00 175.76 175.67 1xrh s PHE 163 N -1.79 0.18 -0.01 0.00 5.36 0.97 -1.01 117.98 121.69 1xrh s PHE 163 Ca -0.13 -0.37 -0.24 0.00 -0.96 0.00 0.00 56.93 55.23 1xrh s PHE 163 Cb -0.07 -0.14 0.05 0.00 -0.34 0.00 0.00 43.02 42.52 1xrh s PHE 163 CO -0.02 -0.18 0.53 0.00 -1.46 0.00 0.00 175.22 174.10 1xrh s ALA 164 N -1.22 -1.36 -0.04 11.12 0.00 -0.34 -0.47 121.76 129.46 1xrh s ALA 164 Ca -0.13 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.46 1xrh s ALA 164 Cb -0.08 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.23 1xrh s ALA 164 CO -0.00 -0.39 0.40 0.00 0.00 0.00 0.00 175.76 175.77 1xrh s ALA 165 N -1.67 -1.03 0.11 0.00 0.00 -0.98 -0.83 121.76 117.36 1xrh s ALA 165 Ca -0.10 0.63 -0.24 0.00 0.00 0.00 0.00 51.96 52.26 1xrh s ALA 165 Cb -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 23.12 23.02 1xrh s ALA 165 CO 0.04 -0.28 0.72 -1.25 0.00 0.00 0.00 175.76 175.00 1xrh s PRO 166 N -1.14 4.47 0.00 0.00 0.04 -1.26 -1.12 135.00 135.99 1xrh s PRO 166 Ca -0.12 1.03 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1xrh s PRO 166 Cb -0.04 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1xrh s PRO 166 CO 0.05 0.50 0.00 0.41 0.04 0.00 0.00 177.00 178.00 1xrh n GLY 167 N 1.87 1.83 3.81 0.56 0.00 -0.34 -4.41 105.19 108.51 1xrh n GLY 167 Ca -0.06 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 1xrh n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xrh s GLU 168 N 3.22 4.35 7.74 1.61 2.02 -1.16 -4.66 118.70 131.81 1xrh s GLU 168 Ca 0.00 1.01 0.00 0.00 0.02 0.00 0.00 54.97 56.00 1xrh s GLU 168 Cb 0.00 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1xrh s GLU 168 CO 0.00 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.04 1xrh n GLY 169 N 0.63 3.31 0.94 -1.39 0.00 -1.26 -2.39 105.19 105.03 1xrh n GLY 169 Ca -0.01 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1xrh n GLY 169 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xrh n ASP 170 N 6.81 2.85 -4.76 1.61 8.00 -1.26 -4.97 116.55 124.82 1xrh n ASP 170 Ca 0.00 -1.90 -0.39 0.00 0.71 0.00 0.00 54.79 53.21 1xrh n ASP 170 Cb 0.00 -0.16 0.02 0.00 -0.02 0.00 0.00 41.12 40.96 1xrh n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xrh s GLU 171 N -1.68 3.55 -0.20 -1.24 2.02 -1.01 -4.95 118.70 115.21 1xrh s GLU 171 Ca 0.35 2.23 -0.10 0.00 0.02 0.00 0.00 54.97 57.48 1xrh s GLU 171 Cb 0.21 -2.51 0.07 0.00 0.10 0.00 0.00 34.13 32.00 1xrh s GLU 171 CO 0.30 -0.86 0.47 0.42 0.02 0.00 0.00 175.26 175.61 1xrh s ILE 172 N -1.29 -0.14 -0.37 -1.63 1.01 -1.26 -1.19 121.20 116.32 1xrh s ILE 172 Ca 0.64 0.09 -0.18 0.00 0.00 0.00 0.00 60.65 61.20 1xrh s ILE 172 Cb -0.40 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.38 1xrh s ILE 172 CO 0.50 0.04 0.50 -0.22 0.00 0.00 0.00 174.94 175.75 1xrh s LEU 173 N 1.67 4.46 -0.16 2.97 2.96 -0.27 -4.93 118.68 125.37 1xrh s LEU 173 Ca -0.08 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1xrh s LEU 173 Cb -0.08 -2.55 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 1xrh s LEU 173 CO -0.14 -0.52 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.34 1xrh s THR 174 N 2.37 2.78 -0.06 3.68 2.01 -1.26 -2.31 115.64 122.85 1xrh s THR 174 Ca 0.17 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.50 1xrh s THR 174 Cb -0.16 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 1xrh s THR 174 CO 0.14 0.50 -0.24 0.12 -0.69 0.00 0.00 174.62 174.45 1xrh s PHE 175 N 0.89 2.36 0.20 4.92 5.36 0.38 -3.34 117.98 128.76 1xrh s PHE 175 Ca -0.04 -0.73 -0.01 0.00 -0.96 0.00 0.00 56.93 55.20 1xrh s PHE 175 Cb -0.15 -1.56 -0.04 0.00 -0.34 0.00 0.00 43.02 40.93 1xrh s PHE 175 CO -0.01 -0.23 0.13 0.34 -1.46 0.00 0.00 175.22 173.99 1xrh s ASP 176 N -0.09 0.19 0.26 6.13 3.68 -1.26 -0.02 116.67 125.55 1xrh s ASP 176 Ca -0.05 -1.39 0.11 0.00 2.13 0.00 0.00 52.55 53.35 1xrh s ASP 176 Cb -0.14 0.38 -0.05 0.00 -1.45 0.00 0.00 42.92 41.66 1xrh s ASP 176 CO 0.04 -0.84 -0.18 0.00 0.13 0.00 0.00 175.17 174.32 1xrh s ALA 178 N -4.14 2.76 -2.39 3.66 0.00 -1.26 -5.01 121.76 115.37 1xrh s ALA 178 Ca 0.39 -1.79 0.22 0.00 0.00 0.00 0.00 51.96 50.78 1xrh s ALA 178 Cb 0.07 -0.35 0.56 0.00 0.00 0.00 0.00 23.12 23.40 1xrh s ALA 178 CO 0.12 0.32 1.46 0.25 0.00 0.00 0.00 175.76 177.91 1xrh n THR 179 N -0.43 0.35 -4.27 0.00 -2.24 -0.38 -4.86 114.28 102.46 1xrh n THR 179 Ca -0.07 -0.55 -0.27 0.00 -2.27 0.00 0.00 64.05 60.89 1xrh n THR 179 Cb 0.59 0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 69.42 1xrh n THR 179 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xrh s THR 180 N -1.65 3.31 0.50 4.28 -4.23 -1.26 -0.69 115.64 115.91 1xrh s THR 180 Ca 0.35 -1.57 0.24 0.00 -1.18 0.00 0.00 61.69 59.53 1xrh s THR 180 Cb 0.20 -2.64 0.41 0.00 1.34 0.00 0.00 72.50 71.81 1xrh s THR 180 CO 0.29 -0.09 1.93 0.58 -0.54 0.00 0.00 174.62 176.79 1xrh h VAL 181 N 2.75 0.68 -2.80 2.29 2.07 -1.78 -3.42 116.25 116.04 1xrh h VAL 181 Ca -0.47 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.07 1xrh h VAL 181 Cb 1.20 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.42 1xrh h VAL 181 CO 0.55 0.02 0.30 -1.58 0.02 0.00 0.00 177.57 176.88 1xrh s GLN 182 N -5.14 1.41 0.38 1.57 2.00 -1.26 -5.02 119.66 113.60 1xrh s GLN 182 Ca -0.06 -0.68 -0.06 0.00 -2.00 0.00 0.00 55.36 52.56 1xrh s GLN 182 Cb 0.21 0.54 -0.05 0.00 0.80 0.00 0.00 33.01 34.51 1xrh s GLN 182 CO 0.76 -0.64 0.67 0.00 -0.50 0.00 0.00 175.29 175.58 1xrh s ALA 183 N -3.66 3.51 0.46 1.58 0.00 -1.26 -4.93 121.76 117.45 1xrh s ALA 183 Ca 0.07 -0.50 0.12 0.00 0.00 0.00 0.00 51.96 51.65 1xrh s ALA 183 Cb -0.03 -2.45 1.05 0.00 0.00 0.00 0.00 23.12 21.68 1xrh s ALA 183 CO -0.02 -0.02 2.08 2.35 0.00 0.00 0.00 175.76 180.15 1xrh h TRP 184 N 1.06 0.22 -0.63 0.00 2.91 -2.01 -2.41 115.95 115.09 1xrh h TRP 184 Ca -0.48 0.00 0.08 0.00 1.13 0.00 0.00 58.89 59.62 1xrh h TRP 184 Cb 1.20 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 29.71 1xrh h TRP 184 CO 0.58 0.17 0.30 0.78 -1.03 0.00 0.00 178.44 179.24 1xrh h GLY 185 N 0.32 0.91 1.25 2.65 0.00 -1.99 -0.95 103.07 105.26 1xrh h GLY 185 Ca 0.06 -0.19 0.10 0.00 0.00 0.00 0.00 47.33 47.30 1xrh h GLY 185 CO -0.01 0.07 0.27 0.50 0.00 0.00 0.00 176.54 177.37 1xrh h LYS 186 N 0.54 0.00 -0.04 4.80 1.79 -1.83 0.28 116.57 122.11 1xrh h LYS 186 Ca 0.30 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.53 1xrh h LYS 186 Cb 0.29 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1xrh h LYS 186 CO -0.24 0.00 -0.95 0.28 -1.08 0.00 0.00 179.45 177.46 1xrh h VAL 187 N 0.00 1.31 -0.47 0.50 2.07 -1.28 -1.96 116.25 116.41 1xrh h VAL 187 Ca 0.17 -2.22 -0.08 0.00 0.82 0.00 0.00 66.70 65.40 1xrh h VAL 187 Cb 0.72 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1xrh h VAL 187 CO -0.00 0.68 -0.01 -0.07 0.02 0.00 0.00 177.57 178.19 1xrh h LEU 188 N 0.39 0.76 -0.40 2.57 3.38 0.11 -0.99 115.31 121.13 1xrh h LEU 188 Ca -0.10 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 1xrh h LEU 188 Cb 1.59 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1xrh h LEU 188 CO 0.18 0.84 -0.19 -0.78 0.09 0.00 0.00 178.44 178.58 1xrh h ASP 189 N 0.73 0.86 -0.36 -0.43 -0.00 -0.96 -1.05 116.42 115.21 1xrh h ASP 189 Ca 0.14 -0.40 -0.03 0.00 -0.00 0.00 0.00 57.03 56.74 1xrh h ASP 189 Cb 0.47 -0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 39.54 1xrh h ASP 189 CO 0.02 1.08 0.14 0.00 -0.00 0.00 0.00 179.24 180.48 1xrh h ALA 190 N 0.82 1.45 0.16 -0.78 0.00 -0.87 -0.95 119.26 119.09 1xrh h ALA 190 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xrh h ALA 190 Cb 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xrh h ALA 190 CO 0.06 0.41 -0.08 0.00 0.00 0.00 0.00 179.25 179.64 1xrh h ARG 191 N 0.61 -0.21 -0.23 0.00 3.08 -0.87 0.20 114.38 116.96 1xrh h ARG 191 Ca 0.15 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.26 1xrh h ARG 191 Cb 0.17 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1xrh h ARG 191 CO -0.01 0.16 0.16 1.03 -1.07 0.00 0.00 179.97 180.24 1xrh h SER 192 N -0.62 0.09 -0.02 7.04 0.87 -1.01 -1.26 113.55 118.65 1xrh h SER 192 Ca -0.02 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1xrh h SER 192 Cb 0.46 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1xrh h SER 192 CO 0.04 0.06 -0.18 0.54 -0.53 0.00 0.00 176.83 176.76 1xrh n ARG 193 N -4.49 1.76 -2.80 2.24 1.74 -0.38 -5.09 116.66 109.64 1xrh n ARG 193 Ca 0.02 -1.45 -0.02 0.00 -0.77 0.00 0.00 57.85 55.63 1xrh n ARG 193 Cb 0.24 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1xrh n ARG 193 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xrh n ASN 194 N 0.71 -7.84 -4.68 0.55 5.15 0.06 -5.05 115.26 104.15 1xrh n ASN 194 Ca 0.11 1.19 -0.25 0.00 -0.60 0.00 0.00 54.58 55.03 1xrh n ASN 194 Cb 0.50 -4.89 -0.08 0.00 -0.53 0.00 0.00 39.78 34.78 1xrh n ASN 194 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1xrh s SER 196 N -1.68 4.24 0.21 1.20 1.04 -1.26 -5.04 113.70 112.40 1xrh s SER 196 Ca 0.04 -1.10 0.05 0.00 0.48 0.00 0.00 55.95 55.41 1xrh s SER 196 Cb -0.01 -0.49 -0.05 0.00 0.10 0.00 0.00 66.02 65.58 1xrh s SER 196 CO 0.70 -0.42 -0.06 0.27 0.98 0.00 0.00 173.24 174.71 1xrh s ILE 197 N -2.59 1.27 0.70 -1.02 -4.36 -0.67 -5.00 121.20 109.52 1xrh s ILE 197 Ca 0.38 -2.08 -0.13 0.00 -0.26 0.00 0.00 60.65 58.56 1xrh s ILE 197 Cb 0.04 -2.18 0.02 0.00 1.25 0.00 0.00 42.46 41.59 1xrh s ILE 197 CO 0.21 -0.48 1.10 -2.84 0.24 0.00 0.00 174.94 173.16 1xrh s PRO 198 N -3.78 2.63 -0.01 0.37 0.02 -1.26 -4.47 135.00 128.50 1xrh s PRO 198 Ca 0.24 1.27 0.02 0.00 0.02 0.00 0.00 61.00 62.56 1xrh s PRO 198 Cb 0.04 -1.94 0.10 0.00 0.02 0.00 0.00 34.50 32.72 1xrh s PRO 198 CO 0.07 -1.37 0.88 -0.40 -0.33 0.00 0.00 177.00 175.85 1xrh n ASP 199 N -2.86 1.05 -0.83 2.53 5.75 -1.26 -3.57 116.55 117.36 1xrh n ASP 199 Ca 0.10 -2.06 0.09 0.00 -0.01 0.00 0.00 54.79 52.91 1xrh n ASP 199 Cb 0.52 -0.28 0.12 0.00 -1.03 0.00 0.00 41.12 40.45 1xrh n ASP 199 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1xrh n THR 200 N -0.07 0.23 -0.12 2.12 -2.24 -1.26 -4.44 114.28 108.50 1xrh n THR 200 Ca 0.03 -0.62 -0.26 0.00 -2.27 0.00 0.00 64.05 60.94 1xrh n THR 200 Cb 0.22 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.53 1xrh n THR 200 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1xrh n TRP 201 N 1.10 0.49 -4.16 4.78 7.02 -1.23 -4.79 117.44 120.64 1xrh n TRP 201 Ca 0.13 0.21 -0.14 0.00 -1.02 0.00 0.00 57.50 56.68 1xrh n TRP 201 Cb 0.49 -1.05 -0.08 0.00 -2.42 0.00 0.00 31.31 28.25 1xrh n TRP 201 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xrh s ALA 202 N -2.45 1.01 0.15 6.99 0.00 -1.26 -0.70 121.76 125.51 1xrh s ALA 202 Ca -0.34 -1.61 0.07 0.00 0.00 0.00 0.00 51.96 50.08 1xrh s ALA 202 Cb 0.10 1.31 -0.04 0.00 0.00 0.00 0.00 23.12 24.49 1xrh s ALA 202 CO 0.55 -0.69 -0.15 0.54 0.00 0.00 0.00 175.76 176.01 1xrh s VAL 203 N -3.75 1.54 0.00 0.00 0.11 0.10 -2.65 120.40 115.74 1xrh s VAL 203 Ca 0.35 -1.91 0.00 0.00 -2.93 0.00 0.00 61.98 57.49 1xrh s VAL 203 Cb 0.03 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.12 1xrh s VAL 203 CO 0.17 -0.46 0.00 -0.90 -3.33 0.00 0.00 175.10 170.58 1xrh n ASP 204 N 0.20 -0.34 0.29 3.54 5.68 -0.41 0.27 116.55 125.78 1xrh n ASP 204 Ca -0.13 -0.70 0.18 0.00 -0.50 0.00 0.00 54.79 53.64 1xrh n ASP 204 Cb 0.58 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 41.38 1xrh n ASP 204 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1xrh h LYS 205 N 0.00 0.00 0.00 0.11 1.79 -1.90 -2.50 116.57 114.07 1xrh h LYS 205 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xrh h LYS 205 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1xrh h LYS 205 CO 0.00 0.02 -0.63 -0.91 -1.08 0.00 0.00 179.45 176.85 1xrh h ASN 206 N 0.00 0.00 0.00 0.86 -0.26 -1.91 -3.47 115.58 110.80 1xrh h ASN 206 Ca -0.00 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.62 1xrh h ASN 206 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1xrh h ASN 206 CO 0.00 0.06 0.00 0.61 -1.06 0.00 0.00 177.43 177.04 1xrh n GLY 207 N 1.27 0.88 3.53 2.83 0.00 -0.94 -4.65 105.19 108.11 1xrh n GLY 207 Ca 0.03 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1xrh n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xrh s VAL 208 N -2.00 4.51 0.53 1.61 1.01 -1.26 -4.83 120.40 119.97 1xrh s VAL 208 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 1xrh s VAL 208 Cb 0.00 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 1xrh s VAL 208 CO 0.00 0.40 0.64 -0.81 0.00 0.00 0.00 175.10 175.32 1xrh n PRO 209 N 4.26 0.66 -3.95 2.72 -0.04 -1.26 -1.29 135.00 136.10 1xrh n PRO 209 Ca -0.16 0.25 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1xrh n PRO 209 Cb 0.52 -1.76 -0.11 0.00 -0.04 0.00 0.00 33.50 32.11 1xrh n PRO 209 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1xrh s THR 210 N -1.60 0.11 -0.66 0.52 -1.32 -1.09 -4.74 115.64 106.86 1xrh s THR 210 Ca 0.68 -0.87 0.23 0.00 -1.21 0.00 0.00 61.69 60.52 1xrh s THR 210 Cb -0.48 -0.37 -0.06 0.00 -1.51 0.00 0.00 72.50 70.08 1xrh s THR 210 CO 0.54 -0.48 1.14 0.41 -2.21 0.00 0.00 174.62 174.03 1xrh n THR 211 N 1.48 0.21 -3.04 5.08 -1.04 -1.26 -4.34 114.28 111.37 1xrh n THR 211 Ca -0.23 -0.23 -0.43 0.00 -2.04 0.00 0.00 64.05 61.12 1xrh n THR 211 Cb 0.55 0.12 -0.06 0.00 -1.82 0.00 0.00 70.33 69.13 1xrh n THR 211 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1xrh s ASP 212 N -3.93 6.28 0.61 8.00 3.68 -1.26 -1.67 116.67 128.37 1xrh s ASP 212 Ca 0.05 -0.65 0.41 0.00 2.13 0.00 0.00 52.55 54.49 1xrh s ASP 212 Cb 0.14 -2.34 2.22 0.00 -1.45 0.00 0.00 42.92 41.49 1xrh s ASP 212 CO 0.77 -1.00 2.25 1.55 0.13 0.00 0.00 175.17 178.87 1xrh h PRO 213 N 9.09 0.00 0.04 4.34 0.13 -1.93 -0.58 132.00 143.09 1xrh h PRO 213 Ca -0.27 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.64 1xrh h PRO 213 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1xrh h PRO 213 CO 1.00 0.00 -1.05 0.74 -0.23 0.00 0.00 178.00 178.46 1xrh h PHE 214 N 0.00 0.16 0.00 1.56 -1.00 -1.93 -3.14 116.94 112.60 1xrh h PHE 214 Ca 0.00 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.67 1xrh h PHE 214 Cb 0.00 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1xrh h PHE 214 CO 0.00 1.06 0.00 0.00 -1.61 0.00 0.00 178.31 177.76 1xrh h ALA 215 N 0.89 1.00 -2.30 2.45 0.00 -1.53 -3.46 119.26 116.31 1xrh h ALA 215 Ca -0.05 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.29 1xrh h ALA 215 Cb 1.78 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.62 1xrh h ALA 215 CO 0.15 0.00 0.92 0.28 0.00 0.00 0.00 179.25 180.60 1xrh n VAL 216 N -2.57 0.16 -0.05 0.00 0.31 -0.96 -4.02 118.33 111.21 1xrh n VAL 216 Ca 0.05 -0.03 -0.06 0.00 -0.01 0.00 0.00 64.34 64.29 1xrh n VAL 216 Cb 0.45 -1.73 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 1xrh n VAL 216 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1xrh n HIS 217 N 4.41 0.00 -3.63 3.52 -0.00 0.14 -4.92 115.22 114.74 1xrh n HIS 217 Ca 0.18 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.26 1xrh n HIS 217 Cb 0.31 -0.47 -0.04 0.00 -0.12 0.00 0.00 29.99 29.67 1xrh n HIS 217 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1xrh s ALA 218 N -2.24 -1.08 0.57 1.57 0.00 -0.69 -4.99 121.76 114.91 1xrh s ALA 218 Ca -0.09 -0.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 1xrh s ALA 218 Cb 0.03 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 1xrh s ALA 218 CO 0.35 -0.73 0.90 -0.51 0.00 0.00 0.00 175.76 175.77 1xrh s LEU 219 N -2.82 3.35 0.10 0.00 1.43 -1.26 0.03 118.68 119.51 1xrh s LEU 219 Ca 0.05 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.17 1xrh s LEU 219 Cb 0.00 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 1xrh s LEU 219 CO -0.09 -0.87 0.05 -0.76 0.23 0.00 0.00 176.35 174.91 1xrh s LEU 220 N -4.97 3.64 0.32 1.79 1.43 0.12 -2.34 118.68 118.67 1xrh s LEU 220 Ca 0.52 -0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.23 1xrh s LEU 220 Cb -0.11 -2.33 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 1xrh s LEU 220 CO 0.47 0.15 1.00 -2.16 0.23 0.00 0.00 176.35 176.04 1xrh s PRO 221 N -2.52 4.54 0.42 1.29 0.04 -1.26 -3.04 135.00 134.47 1xrh s PRO 221 Ca 0.28 1.50 -0.25 0.00 0.04 0.00 0.00 61.00 62.56 1xrh s PRO 221 Cb -0.11 -2.90 -0.08 0.00 0.04 0.00 0.00 34.50 31.44 1xrh s PRO 221 CO 0.21 0.21 1.28 0.00 0.04 0.00 0.00 177.00 178.73 1xrh s ALA 222 N -1.46 3.21 -1.55 8.56 0.00 0.13 -3.12 121.76 127.53 1xrh s ALA 222 Ca 0.49 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 53.51 1xrh s ALA 222 Cb -0.23 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.51 1xrh s ALA 222 CO 0.30 -0.81 0.86 0.00 0.00 0.00 0.00 175.76 176.11 1xrh n ALA 223 N 0.03 -1.39 -0.35 0.00 0.00 -1.26 -0.34 120.51 117.19 1xrh n ALA 223 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xrh n ALA 223 Cb 0.44 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 16.12 1xrh n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xrh n GLY 224 N -1.63 1.64 0.23 0.00 0.00 -1.18 -1.76 105.19 102.49 1xrh n GLY 224 Ca -0.00 0.54 0.07 0.00 0.00 0.00 0.00 46.02 46.63 1xrh n GLY 224 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xrh h PRO 225 N 0.00 0.00 0.29 1.61 0.11 -1.91 -2.99 132.00 129.11 1xrh h PRO 225 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1xrh h PRO 225 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1xrh h PRO 225 CO 0.00 0.19 -0.14 0.87 -0.21 0.00 0.00 178.00 178.71 1xrh h LYS 226 N 0.00 -0.37 -0.44 1.05 1.79 -1.55 0.12 116.57 117.16 1xrh h LYS 226 Ca -0.00 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1xrh h LYS 226 Cb 0.36 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1xrh h LYS 226 CO 0.02 -0.10 0.30 0.78 -1.08 0.00 0.00 179.45 179.37 1xrh h GLY 227 N -0.62 0.52 0.53 3.86 0.00 -0.71 -0.03 103.07 106.62 1xrh h GLY 227 Ca -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1xrh h GLY 227 CO 0.07 0.15 -0.02 -1.82 0.00 0.00 0.00 176.54 174.91 1xrh h TYR 228 N 0.44 -0.06 -0.96 5.60 3.20 -1.36 -3.08 116.97 120.76 1xrh h TYR 228 Ca 0.19 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1xrh h TYR 228 Cb 0.18 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.41 1xrh h TYR 228 CO -0.00 0.40 0.62 0.78 -1.64 0.00 0.00 178.16 178.31 1xrh h GLY 229 N -0.53 1.44 -5.91 1.82 0.00 -0.48 -3.50 103.07 95.91 1xrh h GLY 229 Ca -0.01 -0.46 -0.55 0.00 0.00 0.00 0.00 47.33 46.31 1xrh h GLY 229 CO 0.01 0.34 1.26 1.08 0.00 0.00 0.00 176.54 179.24 1xrh s LEU 230 N -10.17 4.05 0.00 3.11 1.43 -0.05 -5.03 118.68 112.02 1xrh s LEU 230 Ca -0.13 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1xrh s LEU 230 Cb 0.19 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1xrh s LEU 230 CO 0.81 -1.32 0.00 -0.38 0.23 0.00 0.00 176.35 175.69 1xrh n ILE 234 N 6.30 0.00 -0.06 -0.59 5.41 -1.26 -5.01 119.36 124.15 1xrh n ILE 234 Ca 0.22 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.87 1xrh n ILE 234 Cb 0.43 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.40 1xrh n ILE 234 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1xrh h ASP 235 N 2.00 0.80 -0.70 4.38 1.82 -1.95 -0.80 116.42 121.97 1xrh h ASP 235 Ca 0.00 -0.37 -0.05 0.00 -0.39 0.00 0.00 57.03 56.22 1xrh h ASP 235 Cb 0.00 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 39.75 1xrh h ASP 235 CO 0.00 1.10 0.24 0.58 -1.61 0.00 0.00 179.24 179.55 1xrh h VAL 236 N 0.62 1.25 0.00 2.25 2.07 -1.95 -0.22 116.25 120.27 1xrh h VAL 236 Ca 0.05 -0.84 -0.16 0.00 0.82 0.00 0.00 66.70 66.56 1xrh h VAL 236 Cb 0.95 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1xrh h VAL 236 CO 0.09 0.33 -0.91 -0.07 0.02 0.00 0.00 177.57 177.03 1xrh h LEU 237 N 1.01 0.00 -1.02 2.57 3.38 -1.93 0.27 115.31 119.60 1xrh h LEU 237 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1xrh h LEU 237 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xrh h LEU 237 CO -0.01 0.71 -0.25 -1.54 0.09 0.00 0.00 178.44 177.44 1xrh n SER 238 N -3.19 1.71 0.04 -0.43 3.41 -0.32 -4.52 113.62 110.32 1xrh n SER 238 Ca -0.02 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1xrh n SER 238 Cb 0.84 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 1xrh n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xrh n GLY 239 N 1.06 -0.09 0.19 5.00 0.00 -0.19 -3.51 105.19 107.65 1xrh n GLY 239 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 1xrh n GLY 239 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xrh h VAL 240 N 0.00 0.96 -1.00 1.61 2.07 -1.16 -0.24 116.25 118.48 1xrh h VAL 240 Ca 0.00 -0.16 0.12 0.00 0.82 0.00 0.00 66.70 67.48 1xrh h VAL 240 Cb 0.00 0.45 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 1xrh h VAL 240 CO 0.00 0.09 0.63 0.25 0.02 0.00 0.00 177.57 178.56 1xrh h LEU 241 N 0.47 0.92 -2.60 2.57 5.85 -0.68 -0.69 115.31 121.13 1xrh h LEU 241 Ca 0.21 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1xrh h LEU 241 Cb 0.11 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1xrh h LEU 241 CO -0.15 0.48 0.04 0.18 -0.34 0.00 0.00 178.44 178.66 1xrh n LEU 242 N -4.62 3.99 -2.53 2.25 4.77 -0.25 -4.89 117.00 115.73 1xrh n LEU 242 Ca 0.19 -2.04 -0.19 0.00 -0.03 0.00 0.00 56.01 53.94 1xrh n LEU 242 Cb 0.37 -0.62 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1xrh n LEU 242 CO 0.27 0.52 -0.20 0.61 -1.33 0.00 0.00 177.39 177.25 1xrh n GLY 243 N 0.28 -0.50 4.02 -0.72 0.00 -0.27 -4.99 105.19 103.00 1xrh n GLY 243 Ca 0.19 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 1xrh n GLY 243 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xrh s LEU 244 N -6.06 3.34 0.82 0.99 1.43 -0.33 -5.02 118.68 113.84 1xrh s LEU 244 Ca 0.06 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 1xrh s LEU 244 Cb -0.03 -2.18 0.09 0.00 0.03 0.00 0.00 46.19 44.10 1xrh s LEU 244 CO 0.07 -1.13 1.19 -2.84 0.23 0.00 0.00 176.35 173.87 1xrh s PRO 245 N -4.58 1.57 0.09 1.29 0.02 -1.26 -4.52 135.00 127.60 1xrh s PRO 245 Ca 0.59 1.71 -0.06 0.00 0.02 0.00 0.00 61.00 63.26 1xrh s PRO 245 Cb -0.08 -1.77 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 1xrh s PRO 245 CO 0.37 -2.25 0.13 -0.59 -0.33 0.00 0.00 177.00 174.33 1xrh s PHE 246 N -2.24 0.32 0.00 6.54 -0.12 -1.26 -4.68 117.98 116.54 1xrh s PHE 246 Ca 0.72 -0.77 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 1xrh s PHE 246 Cb -0.27 -0.17 0.00 0.00 -0.63 0.00 0.00 43.02 41.94 1xrh s PHE 246 CO 0.52 -0.52 0.00 0.41 -0.05 0.00 0.00 175.22 175.58 1xrh n GLY 247 N -0.03 3.36 0.32 1.99 0.00 -1.26 -1.78 105.19 107.78 1xrh n GLY 247 Ca -0.13 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.03 1xrh n GLY 247 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xrh h ARG 248 N 0.00 0.00 0.00 1.61 2.47 -1.81 -2.46 114.38 114.19 1xrh h ARG 248 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1xrh h ARG 248 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1xrh h ARG 248 CO 0.00 0.00 0.00 1.96 0.56 0.00 0.00 179.97 182.49 1xrh h GLN 249 N 0.00 0.00 -6.99 0.04 4.20 -1.66 -3.46 115.11 107.25 1xrh h GLN 249 Ca 0.07 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.23 1xrh h GLN 249 Cb 0.36 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.26 1xrh h GLN 249 CO -0.00 0.00 0.73 0.08 -0.67 0.00 0.00 178.83 178.97 1xrh s VAL 250 N -3.56 2.00 0.91 -0.54 1.01 -0.93 -4.74 120.40 114.55 1xrh s VAL 250 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1xrh s VAL 250 Cb 0.09 -3.00 0.14 0.00 0.00 0.00 0.00 36.38 33.60 1xrh s VAL 250 CO 0.50 0.00 1.11 -0.94 0.00 0.00 0.00 175.10 175.77 1xrh s SER 251 N -0.42 3.47 0.00 3.32 1.04 -1.26 -4.49 113.70 115.36 1xrh s SER 251 Ca 0.60 1.19 0.00 0.00 0.48 0.00 0.00 55.95 58.22 1xrh s SER 251 Cb -0.45 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1xrh s SER 251 CO 0.58 -2.60 0.00 -1.20 0.98 0.00 0.00 173.24 171.00 1xrh n SER 252 N -3.83 0.00 0.00 7.02 7.64 -1.26 -4.07 113.62 119.12 1xrh n SER 252 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1xrh n SER 252 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1xrh n SER 252 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xrh n TYR 254 N 0.00 0.00 0.45 1.43 0.53 -1.26 -4.32 117.16 113.99 1xrh n TYR 254 Ca 0.00 0.00 -0.18 0.00 -1.02 0.00 0.00 57.90 56.70 1xrh n TYR 254 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 39.34 38.23 1xrh n TYR 254 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1xrh h ASP 255 N 0.00 -0.98 -1.72 7.72 3.45 -1.93 -3.43 116.42 119.52 1xrh h ASP 255 Ca 0.00 0.03 -0.22 0.00 0.43 0.00 0.00 57.03 57.28 1xrh h ASP 255 Cb 0.00 0.25 -0.29 0.00 -0.56 0.00 0.00 39.33 38.74 1xrh h ASP 255 CO 0.00 -0.62 -0.56 -0.62 -1.57 0.00 0.00 179.24 175.87 1xrh s ASP 256 N -4.24 0.47 0.08 6.45 3.68 -1.26 -4.99 116.67 116.87 1xrh s ASP 256 Ca -0.17 -0.60 0.08 0.00 2.13 0.00 0.00 52.55 53.99 1xrh s ASP 256 Cb 0.02 1.04 0.40 0.00 -1.45 0.00 0.00 42.92 42.93 1xrh s ASP 256 CO 0.51 -0.33 1.25 0.18 0.13 0.00 0.00 175.17 176.91 1xrh n LEU 257 N 5.15 0.16 0.03 -1.34 7.99 -1.26 -1.05 117.00 126.67 1xrh n LEU 257 Ca 0.03 0.57 0.11 0.00 -0.01 0.00 0.00 56.01 56.71 1xrh n LEU 257 Cb 0.49 -0.58 0.08 0.00 -0.11 0.00 0.00 43.42 43.30 1xrh n LEU 257 CO -0.00 -0.56 0.14 1.41 -1.51 0.00 0.00 177.39 176.86 1xrh n HIS 258 N -1.71 0.26 -3.99 -1.77 8.25 -1.26 -0.62 115.22 114.39 1xrh n HIS 258 Ca 0.00 0.08 -0.36 0.00 -0.26 0.00 0.00 57.72 57.18 1xrh n HIS 258 Cb 0.05 -0.43 -0.07 0.00 1.12 0.00 0.00 29.99 30.67 1xrh n HIS 258 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xrh s ALA 259 N -3.15 3.76 0.55 -1.41 0.00 -0.22 -3.38 121.76 117.92 1xrh s ALA 259 Ca 0.06 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 51.11 1xrh s ALA 259 Cb 0.15 -1.85 -0.06 0.00 0.00 0.00 0.00 23.12 21.36 1xrh s ALA 259 CO 0.77 0.63 1.06 0.41 0.00 0.00 0.00 175.76 178.63 1xrh n GLY 260 N 1.84 -0.06 0.13 0.00 0.00 -1.22 -4.64 105.19 101.23 1xrh n GLY 260 Ca -0.18 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 1xrh n GLY 260 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xrh h ARG 261 N 0.92 0.13 -1.79 1.61 2.47 -1.89 -3.47 114.38 112.36 1xrh h ARG 261 Ca -0.48 -0.12 -0.35 0.00 -1.26 0.00 0.00 59.98 57.77 1xrh h ARG 261 Cb 1.35 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 29.62 1xrh h ARG 261 CO 0.53 0.81 -0.39 0.09 0.56 0.00 0.00 179.97 181.57 1xrh n ASN 262 N -3.72 -5.10 -4.77 7.04 3.02 -1.26 -4.40 115.26 106.07 1xrh n ASN 262 Ca -0.02 0.17 -0.35 0.00 -0.03 0.00 0.00 54.58 54.35 1xrh n ASN 262 Cb 0.72 -4.16 0.01 0.00 -0.61 0.00 0.00 39.78 35.73 1xrh n ASN 262 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xrh s LEU 263 N -4.56 3.71 0.16 3.41 1.43 -1.26 -4.40 118.68 117.17 1xrh s LEU 263 Ca 0.00 2.17 0.09 0.00 -1.03 0.00 0.00 54.13 55.36 1xrh s LEU 263 Cb 0.00 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.60 1xrh s LEU 263 CO 0.00 -1.27 -0.15 -0.83 0.23 0.00 0.00 176.35 174.33 1xrh s GLY 264 N -1.85 1.72 0.02 -3.19 0.00 -1.26 -2.62 107.32 100.13 1xrh s GLY 264 Ca 0.72 -1.46 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 1xrh s GLY 264 CO 0.29 -1.47 0.00 1.62 0.00 0.00 0.00 173.10 173.54 1xrh s GLN 265 N -2.58 0.33 -0.05 2.90 0.74 -0.88 -2.61 119.66 117.51 1xrh s GLN 265 Ca 0.22 -0.55 0.02 0.00 0.05 0.00 0.00 55.36 55.10 1xrh s GLN 265 Cb -0.09 0.12 0.01 0.00 1.10 0.00 0.00 33.01 34.15 1xrh s GLN 265 CO 0.13 -0.06 -0.11 -1.17 -0.55 0.00 0.00 175.29 173.53 1xrh s LEU 266 N -1.39 1.64 0.11 3.68 2.96 -1.26 -0.29 118.68 124.12 1xrh s LEU 266 Ca -0.15 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1xrh s LEU 266 Cb -0.09 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 1xrh s LEU 266 CO -0.01 0.03 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.91 1xrh s HIS 267 N 0.56 2.63 -0.03 5.38 3.76 0.36 -4.41 115.29 123.53 1xrh s HIS 267 Ca -0.11 -0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 54.58 1xrh s HIS 267 Cb -0.14 -1.39 0.03 0.00 1.11 0.00 0.00 32.58 32.19 1xrh s HIS 267 CO 0.02 0.40 0.06 0.42 -0.85 0.00 0.00 174.74 174.79 1xrh s ILE 268 N -1.17 -0.04 -0.02 0.60 1.01 -0.48 -0.94 121.20 120.16 1xrh s ILE 268 Ca 0.19 0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.02 1xrh s ILE 268 Cb -0.11 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.26 1xrh s ILE 268 CO 0.12 0.07 -0.03 -0.69 0.00 0.00 0.00 174.94 174.41 1xrh s VAL 269 N 0.88 0.31 -0.08 2.92 1.01 0.34 -1.00 120.40 124.79 1xrh s VAL 269 Ca -0.07 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1xrh s VAL 269 Cb -0.10 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1xrh s VAL 269 CO -0.03 0.14 -0.14 -0.63 0.00 0.00 0.00 175.10 174.44 1xrh s ILE 270 N 0.54 1.29 -0.38 2.22 1.01 -0.62 -0.83 121.20 124.43 1xrh s ILE 270 Ca -0.06 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 1xrh s ILE 270 Cb -0.09 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1xrh s ILE 270 CO -0.01 0.39 0.58 0.21 0.00 0.00 0.00 174.94 176.11 1xrh s ASN 271 N 0.72 6.34 0.36 3.58 3.84 -0.60 -0.79 114.94 128.38 1xrh s ASN 271 Ca -0.13 -0.11 0.10 0.00 0.21 0.00 0.00 52.86 52.93 1xrh s ASN 271 Cb -0.16 -2.29 0.86 0.00 -0.55 0.00 0.00 41.25 39.11 1xrh s ASN 271 CO 0.03 -0.60 1.84 -0.65 -2.79 0.00 0.00 177.10 174.93 1xrh h PRO 272 N 8.59 0.63 -0.46 0.43 0.11 -1.88 -2.73 132.00 136.69 1xrh h PRO 272 Ca -0.27 -0.04 0.13 0.00 0.11 0.00 0.00 66.00 65.94 1xrh h PRO 272 Cb 1.11 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1xrh h PRO 272 CO 0.82 0.42 0.36 -0.91 -0.21 0.00 0.00 178.00 178.48 1xrh h ASN 273 N 0.65 0.00 0.00 -2.05 4.21 -1.93 0.20 115.58 116.66 1xrh h ASN 273 Ca 0.49 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.00 1xrh h ASN 273 Cb 0.89 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1xrh h ASN 273 CO -0.25 0.00 0.00 0.49 -1.29 0.00 0.00 177.43 176.38 1xrh n PHE 274 N -4.20 0.00 0.00 1.19 3.01 -1.03 -3.85 117.46 112.59 1xrh n PHE 274 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1xrh n PHE 274 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1xrh n PHE 274 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xrh n PHE 275 N -0.63 0.00 -0.65 1.38 3.01 0.66 -5.11 117.46 116.12 1xrh n PHE 275 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1xrh n PHE 275 Cb 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 1xrh n PHE 275 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1xrh n SER 276 N -1.31 0.00 -4.61 4.37 3.41 -0.90 -5.11 113.62 109.48 1xrh n SER 276 Ca 0.00 0.00 -0.50 0.00 -0.26 0.00 0.00 58.87 58.11 1xrh n SER 276 Cb 0.27 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1xrh n SER 276 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1xrh n SER 277 N 0.04 2.94 0.22 4.04 2.88 -1.26 -4.04 113.62 118.44 1xrh n SER 277 Ca 0.00 0.75 0.10 0.00 -1.33 0.00 0.00 58.87 58.39 1xrh n SER 277 Cb 0.00 -1.33 0.45 0.00 -0.75 0.00 0.00 64.21 62.58 1xrh n SER 277 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1xrh h SER 278 N 10.51 0.00 0.16 -3.46 4.64 -1.90 0.62 113.55 124.13 1xrh h SER 278 Ca -0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1xrh h SER 278 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1xrh h SER 278 CO 0.97 0.21 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.98 1xrh h GLU 279 N 0.00 -0.21 -0.66 4.77 4.81 -1.99 -1.36 114.58 119.94 1xrh h GLU 279 Ca -0.00 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1xrh h GLU 279 Cb 0.76 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 1xrh h GLU 279 CO 0.03 0.11 0.21 -0.07 -0.73 0.00 0.00 179.01 178.56 1xrh h LEU 280 N -0.54 0.93 0.12 1.64 3.38 -1.84 -2.29 115.31 116.72 1xrh h LEU 280 Ca -0.02 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xrh h LEU 280 Cb 0.41 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1xrh h LEU 280 CO 0.04 0.87 -0.21 0.15 0.09 0.00 0.00 178.44 179.37 1xrh h PHE 281 N 0.97 -0.57 -0.16 1.13 3.57 -0.72 -0.60 116.94 120.56 1xrh h PHE 281 Ca 0.22 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1xrh h PHE 281 Cb 0.27 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1xrh h PHE 281 CO 0.02 -0.31 0.05 0.00 -2.23 0.00 0.00 178.31 175.84 1xrh h ARG 282 N -0.41 0.22 -0.19 1.11 3.08 -1.05 -0.88 114.38 116.27 1xrh h ARG 282 Ca 0.02 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1xrh h ARG 282 Cb 0.43 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1xrh h ARG 282 CO -0.11 0.21 -0.23 0.37 -1.07 0.00 0.00 179.97 179.13 1xrh h GLN 283 N 0.23 0.49 -0.65 0.04 4.15 -0.91 -2.70 115.11 115.76 1xrh h GLN 283 Ca 0.06 -0.28 -0.08 0.00 0.77 0.00 0.00 58.65 59.12 1xrh h GLN 283 Cb 0.08 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1xrh h GLN 283 CO -0.00 0.86 0.10 0.45 -1.93 0.00 0.00 178.83 178.31 1xrh h HIS 284 N 0.14 1.14 -0.73 3.99 3.86 -0.66 0.12 115.15 123.02 1xrh h HIS 284 Ca 0.02 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 1xrh h HIS 284 Cb 0.80 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 1xrh h HIS 284 CO 0.09 0.96 0.35 1.25 0.86 0.00 0.00 177.93 181.43 1xrh h LEU 285 N 1.01 0.97 -0.74 2.43 5.85 -1.16 0.16 115.31 123.82 1xrh h LEU 285 Ca 0.20 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 1xrh h LEU 285 Cb 0.44 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1xrh h LEU 285 CO 0.01 0.83 -0.30 0.28 -0.34 0.00 0.00 178.44 178.93 1xrh h SER 286 N 1.03 0.65 -0.36 1.25 0.02 -1.16 -2.54 113.55 112.43 1xrh h SER 286 Ca 0.25 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1xrh h SER 286 Cb 0.13 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1xrh h SER 286 CO -0.03 0.91 -0.04 -0.61 -1.14 0.00 0.00 176.83 175.92 1xrh h GLN 287 N 0.54 0.76 -0.28 3.45 4.15 -0.11 -0.57 115.11 123.04 1xrh h GLN 287 Ca 0.07 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1xrh h GLN 287 Cb 0.79 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1xrh h GLN 287 CO 0.06 0.79 0.00 2.41 -1.93 0.00 0.00 178.83 180.17 1xrh n THR 288 N -4.20 0.01 0.00 2.39 -1.04 0.49 -0.17 114.28 111.76 1xrh n THR 288 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1xrh n THR 288 Cb 0.32 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 1xrh n THR 288 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1xrh n ARG 290 N 0.50 0.00 -0.10 -2.82 0.63 -0.22 -1.35 116.66 113.30 1xrh n ARG 290 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1xrh n ARG 290 Cb 0.03 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.90 1xrh n ARG 290 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1xrh h GLU 291 N 0.00 0.77 -0.94 -0.14 5.08 -0.81 -2.44 114.58 116.09 1xrh h GLU 291 Ca 0.00 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1xrh h GLU 291 Cb 0.00 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1xrh h GLU 291 CO 0.00 1.03 0.62 -0.07 -1.00 0.00 0.00 179.01 179.60 1xrh h LEU 292 N 0.54 1.07 -1.53 1.33 3.38 -1.46 -1.16 115.31 117.47 1xrh h LEU 292 Ca 0.05 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1xrh h LEU 292 Cb 0.89 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1xrh h LEU 292 CO 0.08 0.77 -0.23 0.78 0.09 0.00 0.00 178.44 179.93 1xrh h ASN 293 N 1.26 0.00 -0.28 -0.43 -0.26 -1.65 -2.22 115.58 111.99 1xrh h ASN 293 Ca 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 1xrh h ASN 293 Cb -0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1xrh h ASN 293 CO -0.08 0.23 0.00 0.00 -1.06 0.00 0.00 177.43 176.51 1xrh n ALA 294 N -2.34 2.48 -1.79 -0.83 0.00 -0.47 -4.40 120.51 113.15 1xrh n ALA 294 Ca -0.01 -0.67 -0.40 0.00 0.00 0.00 0.00 53.44 52.36 1xrh n ALA 294 Cb 0.33 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1xrh n ALA 294 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xrh s ILE 295 N -1.63 3.48 0.04 0.00 1.01 -0.84 -4.95 121.20 118.32 1xrh s ILE 295 Ca 0.32 1.46 -0.31 0.00 0.00 0.00 0.00 60.65 62.12 1xrh s ILE 295 Cb 0.17 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.61 1xrh s ILE 295 CO 0.25 0.34 1.92 0.41 0.00 0.00 0.00 174.94 177.85 1xrh n THR 296 N 1.32 0.62 -2.16 2.92 -1.04 -1.26 -4.29 114.28 110.39 1xrh n THR 296 Ca -0.01 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.56 1xrh n THR 296 Cb 0.45 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 1xrh n THR 296 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1xrh s PRO 297 N 3.88 3.44 0.71 -2.82 0.04 -1.26 -4.95 135.00 134.03 1xrh s PRO 297 Ca 0.88 1.23 -0.13 0.00 0.04 0.00 0.00 61.00 63.01 1xrh s PRO 297 Cb -0.49 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.02 1xrh s PRO 297 CO 0.42 -0.72 1.10 0.00 0.04 0.00 0.00 177.00 177.85 1xrh s ALA 298 N -2.36 2.36 0.02 8.56 0.00 -1.26 -4.90 121.76 124.17 1xrh s ALA 298 Ca 0.64 0.43 -0.36 0.00 0.00 0.00 0.00 51.96 52.66 1xrh s ALA 298 Cb -0.16 -3.30 -0.15 0.00 0.00 0.00 0.00 23.12 19.51 1xrh s ALA 298 CO 0.33 -1.52 1.52 -2.30 0.00 0.00 0.00 175.76 173.80 1xrh n PRO 299 N -2.93 1.47 0.00 0.00 -0.02 -1.26 -1.81 135.00 130.45 1xrh n PRO 299 Ca 0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1xrh n PRO 299 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1xrh n PRO 299 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xrh n GLY 300 N 3.21 3.35 3.85 -1.23 0.00 -1.26 -5.04 105.19 108.08 1xrh n GLY 300 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1xrh n GLY 300 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xrh s PHE 301 N -2.49 3.55 -0.05 1.61 0.40 -0.75 -4.99 117.98 115.27 1xrh s PHE 301 Ca 0.00 1.10 -0.07 0.00 -0.60 0.00 0.00 56.93 57.37 1xrh s PHE 301 Cb 0.00 -2.41 -0.29 0.00 0.51 0.00 0.00 43.02 40.83 1xrh s PHE 301 CO 0.00 0.34 0.66 -0.91 0.70 0.00 0.00 175.22 176.01 1xrh h ASN 302 N 3.18 0.48 -5.02 1.36 2.35 -1.96 -3.44 115.58 112.53 1xrh h ASN 302 Ca -0.48 -0.77 -0.05 0.00 -0.55 0.00 0.00 56.30 54.44 1xrh h ASN 302 Cb 1.19 -0.16 -0.16 0.00 0.05 0.00 0.00 38.32 39.24 1xrh h ASN 302 CO 0.66 1.66 0.09 -1.58 -1.65 0.00 0.00 177.43 176.61 1xrh s GLN 303 N -2.59 1.09 -0.08 0.81 0.74 -1.26 -4.87 119.66 113.50 1xrh s GLN 303 Ca -0.15 -0.23 -0.21 0.00 0.05 0.00 0.00 55.36 54.82 1xrh s GLN 303 Cb 0.06 0.50 -0.04 0.00 1.10 0.00 0.00 33.01 34.63 1xrh s GLN 303 CO 0.84 -0.41 0.59 0.08 -0.55 0.00 0.00 175.29 175.84 1xrh s VAL 304 N -2.59 5.10 0.21 1.34 1.01 -1.26 -4.97 120.40 119.25 1xrh s VAL 304 Ca -0.04 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.14 1xrh s VAL 304 Cb -0.01 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1xrh s VAL 304 CO -0.03 0.30 0.39 -0.31 0.00 0.00 0.00 175.10 175.45 1xrh s TYR 305 N 0.62 3.48 0.50 5.22 4.12 -1.26 -3.99 117.35 126.05 1xrh s TYR 305 Ca 0.32 0.26 -0.04 0.00 0.02 0.00 0.00 57.07 57.63 1xrh s TYR 305 Cb -0.17 -1.79 -0.01 0.00 -1.52 0.00 0.00 41.96 38.47 1xrh s TYR 305 CO 0.14 0.38 0.78 1.52 0.02 0.00 0.00 175.55 178.40 1xrh s TYR 306 N -1.91 3.36 0.33 2.71 -0.85 -1.26 -4.89 117.35 114.84 1xrh s TYR 306 Ca 0.37 0.58 -0.28 0.00 -0.52 0.00 0.00 57.07 57.22 1xrh s TYR 306 Cb -0.11 -2.43 -0.13 0.00 0.38 0.00 0.00 41.96 39.68 1xrh s TYR 306 CO 0.30 -0.47 1.28 -2.30 -1.52 0.00 0.00 175.55 172.84 1xrh n PRO 307 N -2.30 2.05 0.00 -3.49 -0.02 -1.26 -1.96 135.00 128.02 1xrh n PRO 307 Ca 0.02 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1xrh n PRO 307 Cb 0.57 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1xrh n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xrh n GLY 308 N 0.95 2.87 0.25 -1.23 0.00 -1.21 -4.36 105.19 102.46 1xrh n GLY 308 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 1xrh n GLY 308 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1xrh h GLN 309 N 1.96 0.67 -0.53 1.61 4.15 -1.67 -1.09 115.11 120.22 1xrh h GLN 309 Ca 0.00 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.42 1xrh h GLN 309 Cb 0.00 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.49 1xrh h GLN 309 CO 0.00 0.45 0.28 0.38 -1.93 0.00 0.00 178.83 178.00 1xrh h ASP 310 N 0.69 0.40 -0.73 -0.69 2.03 -1.92 0.20 116.42 116.41 1xrh h ASP 310 Ca 0.28 0.03 -0.02 0.00 -0.73 0.00 0.00 57.03 56.59 1xrh h ASP 310 Cb 0.14 -0.05 -0.04 0.00 -0.83 0.00 0.00 39.33 38.55 1xrh h ASP 310 CO -0.16 0.28 0.39 1.56 -1.03 0.00 0.00 179.24 180.28 1xrh h GLN 311 N 0.53 1.04 -0.63 4.15 4.20 -1.72 -0.99 115.11 121.70 1xrh h GLN 311 Ca 0.23 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 1xrh h GLN 311 Cb 0.13 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1xrh h GLN 311 CO -0.16 0.78 0.10 -0.44 -0.67 0.00 0.00 178.83 178.44 1xrh h ASP 312 N 1.05 1.00 -0.27 1.46 3.45 0.22 -1.47 116.42 121.85 1xrh h ASP 312 Ca 0.26 -0.23 -0.09 0.00 0.43 0.00 0.00 57.03 57.40 1xrh h ASP 312 Cb 0.06 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.55 1xrh h ASP 312 CO -0.04 0.99 -0.14 0.40 -1.57 0.00 0.00 179.24 178.89 1xrh h ILE 313 N 0.98 1.25 -0.41 0.35 2.04 0.08 -2.34 117.51 119.45 1xrh h ILE 313 Ca 0.19 -1.17 -0.11 0.00 1.00 0.00 0.00 64.86 64.78 1xrh h ILE 313 Cb 0.43 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1xrh h ILE 313 CO 0.01 0.39 -0.17 0.11 0.00 0.00 0.00 178.15 178.49 1xrh h LYS 314 N 0.63 0.84 -0.61 2.37 1.57 -0.86 -2.37 116.57 118.14 1xrh h LYS 314 Ca 0.11 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1xrh h LYS 314 Cb 0.59 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1xrh h LYS 314 CO 0.04 0.99 0.24 0.37 -0.57 0.00 0.00 179.45 180.52 1xrh h GLN 315 N 0.66 0.92 0.36 3.15 4.15 -1.06 0.29 115.11 123.58 1xrh h GLN 315 Ca 0.09 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1xrh h GLN 315 Cb 0.73 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1xrh h GLN 315 CO 0.06 0.78 -0.17 0.00 -1.93 0.00 0.00 178.83 177.56 1xrh h ARG 316 N 0.85 -0.47 -0.93 1.69 3.08 -1.37 -1.17 114.38 116.07 1xrh h ARG 316 Ca 0.20 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.41 1xrh h ARG 316 Cb 0.21 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.30 1xrh h ARG 316 CO -0.02 -0.27 0.59 -0.22 -1.07 0.00 0.00 179.97 178.99 1xrh h LYS 317 N -0.55 0.82 -0.43 0.04 3.64 -1.30 0.18 116.57 118.97 1xrh h LYS 317 Ca -0.05 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 1xrh h LYS 317 Cb 0.41 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1xrh h LYS 317 CO 0.08 0.54 0.02 0.00 -2.27 0.00 0.00 179.45 177.82 1xrh h ALA 318 N 1.57 1.22 0.00 5.00 0.00 0.07 0.11 119.26 127.22 1xrh h ALA 318 Ca 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xrh h ALA 318 Cb 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xrh h ALA 318 CO -0.22 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1xrh h ALA 319 N 1.36 1.00 0.01 0.00 0.00 0.28 0.12 119.26 122.03 1xrh h ALA 319 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.66 1xrh h ALA 319 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1xrh h ALA 319 CO 0.01 0.00 -2.14 0.28 0.00 0.00 0.00 179.25 177.41 1xrh n VAL 320 N -2.71 1.54 1.10 0.00 0.31 -0.19 -4.59 118.33 113.80 1xrh n VAL 320 Ca 0.01 -0.32 0.12 0.00 -0.01 0.00 0.00 64.34 64.14 1xrh n VAL 320 Cb 0.25 -1.87 0.15 0.00 -0.91 0.00 0.00 33.84 31.47 1xrh n VAL 320 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xrh n GLU 321 N -4.15 1.32 0.00 5.55 1.02 0.21 -5.07 120.64 119.52 1xrh n GLU 321 Ca -0.46 -1.01 0.00 0.00 -0.02 0.00 0.00 57.16 55.67 1xrh n GLU 321 Cb 0.85 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1xrh n GLU 321 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xrh n GLY 322 N 1.37 -0.74 3.76 0.62 0.00 0.40 -4.74 105.19 105.86 1xrh n GLY 322 Ca 0.11 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 1xrh n GLY 322 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xrh s ILE 323 N -1.85 5.34 0.42 -0.61 1.01 0.36 -4.54 121.20 121.33 1xrh s ILE 323 Ca 0.00 0.43 -0.25 0.00 0.00 0.00 0.00 60.65 60.83 1xrh s ILE 323 Cb 0.00 -3.56 -0.08 0.00 0.01 0.00 0.00 42.46 38.83 1xrh s ILE 323 CO 0.00 0.46 1.20 -0.70 0.00 0.00 0.00 174.94 175.90 1xrh s GLU 324 N 0.06 3.95 -0.11 2.79 2.56 -1.26 -0.20 118.70 126.49 1xrh s GLU 324 Ca 0.15 1.91 -0.12 0.00 0.00 0.00 0.00 54.97 56.91 1xrh s GLU 324 Cb -0.13 -2.63 0.03 0.00 2.00 0.00 0.00 34.13 33.40 1xrh s GLU 324 CO 0.03 -0.43 0.32 -1.50 -0.56 0.00 0.00 175.26 173.13 1xrh s ILE 325 N -1.40 0.01 0.42 -3.70 2.07 0.60 -4.88 121.20 114.32 1xrh s ILE 325 Ca 0.59 -0.08 -0.25 0.00 -1.41 0.00 0.00 60.65 59.50 1xrh s ILE 325 Cb -0.32 -0.49 -0.08 0.00 0.13 0.00 0.00 42.46 41.70 1xrh s ILE 325 CO 0.40 -0.05 1.22 -0.69 -1.91 0.00 0.00 174.94 173.92 1xrh s VAL 326 N -0.08 2.93 0.12 4.00 1.01 -1.26 -0.70 120.40 126.41 1xrh s VAL 326 Ca -0.02 0.77 -0.32 0.00 0.00 0.00 0.00 61.98 62.41 1xrh s VAL 326 Cb -0.03 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.82 1xrh s VAL 326 CO 0.01 0.06 1.57 0.44 0.00 0.00 0.00 175.10 177.18 1xrh h ASP 327 N 2.47 -1.47 -0.75 3.32 3.32 -1.56 -1.67 116.42 120.08 1xrh h ASP 327 Ca -0.49 0.17 0.08 0.00 0.02 0.00 0.00 57.03 56.81 1xrh h ASP 327 Cb 1.24 0.57 -0.05 0.00 0.22 0.00 0.00 39.33 41.31 1xrh h ASP 327 CO 0.62 -0.49 0.49 0.44 -1.72 0.00 0.00 179.24 178.57 1xrh h ASP 328 N -0.63 0.63 -0.23 6.45 3.45 -1.93 0.15 116.42 124.30 1xrh h ASP 328 Ca 0.03 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 1xrh h ASP 328 Cb 0.69 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.33 1xrh h ASP 328 CO -0.34 0.39 -0.01 0.40 -1.57 0.00 0.00 179.24 178.11 1xrh h ILE 329 N 0.71 1.26 -0.48 0.35 2.04 -1.76 -0.20 117.51 119.43 1xrh h ILE 329 Ca 0.34 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 1xrh h ILE 329 Cb 0.39 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1xrh h ILE 329 CO -0.12 0.29 0.11 0.22 0.00 0.00 0.00 178.15 178.65 1xrh h TYR 330 N 0.18 0.81 -0.52 1.37 3.20 -0.68 -1.92 116.97 119.41 1xrh h TYR 330 Ca 0.06 -0.10 0.05 0.00 3.14 0.00 0.00 58.73 61.88 1xrh h TYR 330 Cb 0.43 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 1xrh h TYR 330 CO 0.04 0.73 0.27 0.37 -1.64 0.00 0.00 178.16 177.93 1xrh h GLN 331 N 0.65 0.51 -1.00 1.82 4.15 -0.66 -1.69 115.11 118.90 1xrh h GLN 331 Ca 0.15 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.57 1xrh h GLN 331 Cb 0.33 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.85 1xrh h GLN 331 CO 0.00 0.33 0.65 -0.92 -1.93 0.00 0.00 178.83 176.97 1xrh h TYR 332 N 0.52 1.23 -0.06 3.99 3.20 -0.77 -3.02 116.97 122.06 1xrh h TYR 332 Ca 0.23 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.99 1xrh h TYR 332 Cb 0.14 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1xrh h TYR 332 CO -0.10 0.72 -0.57 -0.07 -1.64 0.00 0.00 178.16 176.50 1xrh h LEU 333 N 1.28 0.22 -1.08 2.82 3.38 -0.63 -3.04 115.31 118.26 1xrh h LEU 333 Ca 0.39 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1xrh h LEU 333 Cb -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1xrh h LEU 333 CO -0.12 0.74 0.00 2.30 0.09 0.00 0.00 178.44 181.46 1xrh n ILE 334 N -3.89 0.32 -2.95 1.22 -5.35 -0.70 -4.89 119.36 103.12 1xrh n ILE 334 Ca -0.02 -0.37 -0.21 0.00 -0.27 0.00 0.00 62.75 61.88 1xrh n ILE 334 Cb 0.59 0.25 0.08 0.00 -1.74 0.00 0.00 39.64 38.82 1xrh n ILE 334 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1xrh n SER 335 N 0.32 2.00 -0.60 7.28 7.64 -1.15 -5.05 113.62 124.07 1xrh n SER 335 Ca 0.13 -2.50 0.09 0.00 1.01 0.00 0.00 58.87 57.60 1xrh n SER 335 Cb 0.28 -0.49 0.04 0.00 -1.01 0.00 0.00 64.21 63.03 1xrh n SER 335 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xrh n ASP 336 N -2.44 2.20 -4.79 6.43 8.00 -1.26 -4.97 116.55 119.72 1xrh n ASP 336 Ca 0.17 -1.60 -0.36 0.00 0.71 0.00 0.00 54.79 53.71 1xrh n ASP 336 Cb 0.62 0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.87 1xrh n ASP 336 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xrh s ALA 337 N -1.76 3.13 -0.06 2.24 0.00 -1.26 -4.96 121.76 119.09 1xrh s ALA 337 Ca 0.19 0.61 -0.05 0.00 0.00 0.00 0.00 51.96 52.70 1xrh s ALA 337 Cb 0.15 -3.23 -0.28 0.00 0.00 0.00 0.00 23.12 19.77 1xrh s ALA 337 CO 0.32 -0.03 0.62 -0.07 0.00 0.00 0.00 175.76 176.60 1xrh h LEU 338 N 2.70 0.43 -7.00 0.00 3.38 -1.94 -3.48 115.31 109.40 1xrh h LEU 338 Ca -0.48 -0.75 0.02 0.00 0.09 0.00 0.00 57.88 56.76 1xrh h LEU 338 Cb 1.20 -0.14 -0.23 0.00 0.09 0.00 0.00 40.66 41.59 1xrh h LEU 338 CO 0.63 1.65 0.18 -0.72 0.09 0.00 0.00 178.44 180.27 1xrh s TYR 339 N -2.58 -0.81 -0.59 1.13 -0.85 -1.26 -4.54 117.35 107.86 1xrh s TYR 339 Ca -0.15 1.78 0.24 0.00 -0.52 0.00 0.00 57.07 58.42 1xrh s TYR 339 Cb 0.06 0.42 0.30 0.00 0.38 0.00 0.00 41.96 43.12 1xrh s TYR 339 CO 0.82 -0.39 1.29 -0.91 -1.52 0.00 0.00 175.55 174.84 1xrh h ASN 340 N 5.67 0.00 -4.05 -0.18 2.35 -1.94 -3.46 115.58 113.97 1xrh h ASN 340 Ca -0.29 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.17 1xrh h ASN 340 Cb 1.19 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.33 1xrh h ASN 340 CO 0.11 0.09 -0.16 0.42 -1.65 0.00 0.00 177.43 176.25 1xrh s THR 341 N -3.19 0.01 -0.03 2.81 -4.23 -1.26 -5.13 115.64 104.61 1xrh s THR 341 Ca 0.05 -0.04 -0.30 0.00 -1.18 0.00 0.00 61.69 60.22 1xrh s THR 341 Cb 0.13 -0.67 -0.02 0.00 1.34 0.00 0.00 72.50 73.27 1xrh s THR 341 CO 0.73 -0.02 0.99 -0.55 -0.54 0.00 0.00 174.62 175.22 1xrh s SER 342 N 0.05 7.33 0.00 3.99 0.15 -1.26 -4.90 113.70 119.06 1xrh s SER 342 Ca -0.02 1.62 0.30 0.00 0.70 0.00 0.00 55.95 58.55 1xrh s SER 342 Cb -0.03 -2.57 1.61 0.00 -1.71 0.00 0.00 66.02 63.32 1xrh s SER 342 CO 0.01 -0.32 2.07 -1.22 1.20 0.00 0.00 173.24 174.99 1xrh n TYR 343 N 4.23 0.00 1.94 3.44 4.02 -1.26 -5.22 117.16 124.31 1xrh n TYR 343 Ca 0.07 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.12 1xrh n TYR 343 Cb 0.50 -0.18 0.90 0.00 -0.02 0.00 0.00 39.34 40.54 1xrh n TYR 343 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94