#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rii s THR 4 N 0.00 4.33 0.80 3.41 2.01 -1.26 -3.43 115.64 121.50 1rii s THR 4 Ca 0.00 1.62 -0.11 0.00 0.31 0.00 0.00 61.69 63.51 1rii s THR 4 Cb 0.00 -3.89 0.07 0.00 0.01 0.00 0.00 72.50 68.69 1rii s THR 4 CO 0.00 0.06 1.09 -0.83 -0.69 0.00 0.00 174.62 174.25 1rii s GLY 5 N -1.76 1.63 0.30 4.40 0.00 0.15 -4.83 107.32 107.21 1rii s GLY 5 Ca 0.51 -0.11 -0.27 0.00 0.00 0.00 0.00 44.72 44.84 1rii s GLY 5 CO 0.21 0.30 0.96 -0.56 0.00 0.00 0.00 173.10 174.01 1rii s SER 6 N -3.77 7.41 -0.22 1.64 0.01 -1.24 -4.53 113.70 113.00 1rii s SER 6 Ca 0.61 1.90 -0.06 0.00 1.31 0.00 0.00 55.95 59.71 1rii s SER 6 Cb -0.15 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 1rii s SER 6 CO 0.55 -0.02 0.04 -0.22 0.41 0.00 0.00 173.24 174.00 1rii s LEU 7 N -1.77 3.43 -0.16 2.44 2.96 -0.89 -0.91 118.68 123.79 1rii s LEU 7 Ca 0.47 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.23 1rii s LEU 7 Cb -0.22 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1rii s LEU 7 CO 0.27 0.04 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.50 1rii s VAL 8 N 1.14 2.55 -0.09 1.68 1.01 0.82 0.18 120.40 127.70 1rii s VAL 8 Ca 0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1rii s VAL 8 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1rii s VAL 8 CO 0.03 0.52 -0.03 -0.76 0.00 0.00 0.00 175.10 174.86 1rii s LEU 9 N 0.92 3.40 -0.05 3.92 1.43 0.10 -0.82 118.68 127.58 1rii s LEU 9 Ca -0.03 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1rii s LEU 9 Cb -0.15 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1rii s LEU 9 CO -0.02 0.34 0.07 -0.22 0.23 0.00 0.00 176.35 176.75 1rii s LEU 10 N -0.67 0.14 -0.18 1.79 2.96 0.13 -0.85 118.68 121.99 1rii s LEU 10 Ca 0.10 0.06 -0.15 0.00 -0.22 0.00 0.00 54.13 53.92 1rii s LEU 10 Cb -0.12 -0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 1rii s LEU 10 CO 0.02 -0.25 0.37 -0.60 -1.32 0.00 0.00 176.35 174.57 1rii s ARG 11 N 2.18 4.21 0.88 1.98 3.52 -1.26 -1.16 118.95 129.29 1rii s ARG 11 Ca 0.05 0.19 -0.11 0.00 -0.13 0.00 0.00 55.73 55.73 1rii s ARG 11 Cb -0.12 -3.50 0.12 0.00 -1.56 0.00 0.00 34.95 29.89 1rii s ARG 11 CO -0.03 0.05 1.11 -3.38 -0.81 0.00 0.00 175.30 172.24 1rii s HIS 12 N 1.03 2.01 0.00 5.12 -3.43 -1.12 -0.78 115.29 118.12 1rii s HIS 12 Ca 0.19 1.61 0.00 0.00 -0.80 0.00 0.00 55.06 56.06 1rii s HIS 12 Cb -0.14 -3.20 0.00 0.00 -1.43 0.00 0.00 32.58 27.80 1rii s HIS 12 CO 0.07 -2.48 0.00 0.41 -2.00 0.00 0.00 174.74 170.74 1rii n GLY 13 N -0.39 0.15 3.73 -1.38 0.00 -1.26 -4.46 105.19 101.57 1rii n GLY 13 Ca 0.10 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1rii n GLY 13 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rii s GLU 14 N 0.62 4.13 0.41 1.61 2.12 -1.26 -4.90 118.70 121.42 1rii s GLU 14 Ca 0.00 2.59 0.08 0.00 0.36 0.00 0.00 54.97 57.99 1rii s GLU 14 Cb 0.00 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.32 1rii s GLU 14 CO 0.00 -0.71 0.47 -1.54 -0.54 0.00 0.00 175.26 172.93 1rii s SER 15 N 0.99 5.42 0.36 -1.70 1.04 -1.26 -1.12 113.70 117.43 1rii s SER 15 Ca 0.71 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 56.65 1rii s SER 15 Cb -0.49 -0.69 0.68 0.00 0.10 0.00 0.00 66.02 65.63 1rii s SER 15 CO 0.36 -0.67 1.99 0.44 0.98 0.00 0.00 173.24 176.35 1rii h ASP 16 N 0.85 0.69 0.92 7.02 3.32 -1.42 -2.20 116.42 125.61 1rii h ASP 16 Ca -0.41 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.41 1rii h ASP 16 Cb 1.27 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 1rii h ASP 16 CO 0.51 0.48 -1.13 -0.50 -1.72 0.00 0.00 179.24 176.89 1rii h TRP 17 N 0.81 0.00 -0.91 4.55 4.06 -1.91 -2.99 115.95 119.56 1rii h TRP 17 Ca 0.26 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.28 1rii h TRP 17 Cb 0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.14 1rii h TRP 17 CO -0.00 0.95 0.59 -0.91 -3.56 0.00 0.00 178.44 175.51 1rii h ASN 18 N 0.00 0.89 0.05 -3.49 -0.26 -1.67 0.40 115.58 111.50 1rii h ASN 18 Ca -0.07 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1rii h ASN 18 Cb 1.79 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 38.87 1rii h ASN 18 CO 0.11 0.56 -0.04 0.00 -1.06 0.00 0.00 177.43 177.01 1rii h ALA 19 N 1.52 1.80 -0.48 -0.83 0.00 -1.27 -1.02 119.26 118.97 1rii h ALA 19 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1rii h ALA 19 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rii h ALA 19 CO -0.16 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1rii n LEU 20 N -4.29 3.42 -3.74 0.00 4.77 -0.61 -4.99 117.00 111.56 1rii n LEU 20 Ca -0.03 -1.78 -0.26 0.00 -0.03 0.00 0.00 56.01 53.91 1rii n LEU 20 Cb 0.12 -0.32 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1rii n LEU 20 CO 0.33 0.81 0.17 0.59 -1.33 0.00 0.00 177.39 177.96 1rii n ASN 21 N 1.26 -5.36 -4.86 -1.43 3.02 0.02 -4.98 115.26 102.92 1rii n ASN 21 Ca 0.19 -0.66 -0.37 0.00 -0.03 0.00 0.00 54.58 53.71 1rii n ASN 21 Cb 0.55 -4.49 -0.06 0.00 -0.61 0.00 0.00 39.78 35.16 1rii n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rii s LEU 22 N -7.25 4.31 0.10 3.41 1.43 -0.54 -4.46 118.68 115.68 1rii s LEU 22 Ca 0.58 0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 53.81 1rii s LEU 22 Cb -0.27 -2.05 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 1rii s LEU 22 CO 0.78 0.41 1.51 -0.36 0.23 0.00 0.00 176.35 178.92 1rii s PHE 23 N -1.02 2.93 -0.17 0.29 0.08 -0.21 -4.53 117.98 115.35 1rii s PHE 23 Ca 0.15 0.67 -0.12 0.00 0.12 0.00 0.00 56.93 57.76 1rii s PHE 23 Cb -0.12 -3.83 -0.07 0.00 -0.57 0.00 0.00 43.02 38.43 1rii s PHE 23 CO 0.04 -3.09 -0.26 2.41 -0.10 0.00 0.00 175.22 174.21 1rii n THR 24 N 4.25 1.25 0.00 0.64 -1.04 -1.26 -0.61 114.28 117.51 1rii n THR 24 Ca 0.14 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1rii n THR 24 Cb 0.41 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 1rii n THR 24 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rii n GLY 25 N 1.82 3.79 0.20 3.41 0.00 -1.26 -1.70 105.19 111.45 1rii n GLY 25 Ca -0.28 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 45.87 1rii n GLY 25 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rii n TRP 26 N 14.00 0.00 -1.69 1.61 7.02 -1.26 -4.74 117.44 132.38 1rii n TRP 26 Ca 0.00 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.04 1rii n TRP 26 Cb 0.00 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 28.84 1rii n TRP 26 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1rii n VAL 27 N -0.53 0.14 -1.77 -0.99 0.31 -0.69 -4.85 118.33 109.95 1rii n VAL 27 Ca 0.21 -0.02 -0.38 0.00 -0.01 0.00 0.00 64.34 64.14 1rii n VAL 27 Cb 0.22 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.28 1rii n VAL 27 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1rii n ASP 28 N 4.41 8.10 -4.87 4.52 2.03 -1.26 -4.97 116.55 124.51 1rii n ASP 28 Ca 0.17 -2.99 -0.31 0.00 0.52 0.00 0.00 54.79 52.19 1rii n ASP 28 Cb 0.33 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 1rii n ASP 28 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1rii s VAL 29 N -0.32 4.69 0.53 5.18 0.11 -1.26 -4.77 120.40 124.56 1rii s VAL 29 Ca 0.59 0.90 0.01 0.00 -2.93 0.00 0.00 61.98 60.54 1rii s VAL 29 Cb 0.20 -3.84 0.02 0.00 -1.53 0.00 0.00 36.38 31.23 1rii s VAL 29 CO -0.09 -1.04 0.76 -0.83 -3.33 0.00 0.00 175.10 170.57 1rii s GLY 30 N -3.95 1.76 0.40 6.54 0.00 -1.26 -3.75 107.32 107.05 1rii s GLY 30 Ca 0.55 -1.24 -0.26 0.00 0.00 0.00 0.00 44.72 43.77 1rii s GLY 30 CO 0.49 -0.98 1.23 1.08 0.00 0.00 0.00 173.10 174.92 1rii s LEU 31 N -4.72 4.22 1.02 0.66 1.02 -1.26 -1.20 118.68 118.41 1rii s LEU 31 Ca 0.55 2.50 -0.13 0.00 0.02 0.00 0.00 54.13 57.08 1rii s LEU 31 Cb -0.10 -3.94 0.20 0.00 0.02 0.00 0.00 46.19 42.36 1rii s LEU 31 CO 0.38 -0.74 1.09 0.42 0.02 0.00 0.00 176.35 177.53 1rii s THR 32 N -1.32 1.99 0.32 5.49 -4.23 -0.27 -4.65 115.64 112.97 1rii s THR 32 Ca 0.56 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.11 1rii s THR 32 Cb -0.35 -2.49 0.13 0.00 1.34 0.00 0.00 72.50 71.13 1rii s THR 32 CO 0.44 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.79 1rii h ASP 33 N -1.95 0.48 -0.86 3.99 3.32 -1.97 -1.54 116.42 117.89 1rii h ASP 33 Ca -0.55 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1rii h ASP 33 Cb 1.33 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 1rii h ASP 33 CO 0.58 0.61 0.54 0.50 -1.72 0.00 0.00 179.24 179.75 1rii h LYS 34 N 0.47 1.16 -0.81 3.56 3.64 -1.92 -1.36 116.57 121.31 1rii h LYS 34 Ca 0.09 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1rii h LYS 34 Cb 0.44 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1rii h LYS 34 CO 0.02 0.80 0.37 0.78 -2.27 0.00 0.00 179.45 179.15 1rii h GLY 35 N 1.19 1.26 0.86 5.01 0.00 -1.44 -1.02 103.07 108.94 1rii h GLY 35 Ca 0.31 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1rii h GLY 35 CO -0.06 0.61 0.06 1.46 0.00 0.00 0.00 176.54 178.61 1rii h GLN 36 N 1.16 0.34 -0.00 4.80 4.20 -1.00 -2.15 115.11 122.45 1rii h GLN 36 Ca 0.28 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1rii h GLN 36 Cb 0.14 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1rii h GLN 36 CO -0.03 0.45 -0.24 0.00 -0.67 0.00 0.00 178.83 178.33 1rii h ALA 37 N 0.88 1.59 -0.24 3.87 0.00 -1.09 -0.73 119.26 123.54 1rii h ALA 37 Ca 0.07 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1rii h ALA 37 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1rii h ALA 37 CO -0.00 0.31 -0.39 1.49 0.00 0.00 0.00 179.25 180.66 1rii h GLU 38 N 0.01 0.54 -0.44 0.00 4.81 -0.97 -2.02 114.58 116.51 1rii h GLU 38 Ca -0.00 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 1rii h GLU 38 Cb 0.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1rii h GLU 38 CO 0.03 0.84 0.00 0.00 -0.73 0.00 0.00 179.01 179.16 1rii h ALA 39 N 1.13 0.59 -0.27 2.92 0.00 -0.51 -1.39 119.26 121.72 1rii h ALA 39 Ca 0.04 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1rii h ALA 39 Cb 0.88 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1rii h ALA 39 CO 0.07 0.38 -0.02 0.28 0.00 0.00 0.00 179.25 179.96 1rii h VAL 40 N 0.61 0.78 -0.37 0.00 2.07 -1.20 -1.66 116.25 116.49 1rii h VAL 40 Ca 0.12 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1rii h VAL 40 Cb 0.49 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1rii h VAL 40 CO 0.02 0.01 0.21 -0.09 0.02 0.00 0.00 177.57 177.74 1rii h ARG 41 N 0.06 0.50 -0.88 1.57 9.65 -1.11 -1.81 114.38 122.36 1rii h ARG 41 Ca 0.13 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.01 1rii h ARG 41 Cb 0.18 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.60 1rii h ARG 41 CO -0.23 0.36 0.56 0.77 2.80 0.00 0.00 179.97 184.23 1rii h SER 42 N 0.50 0.92 -0.58 -3.80 0.02 -0.35 -1.18 113.55 109.08 1rii h SER 42 Ca 0.13 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1rii h SER 42 Cb 0.01 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1rii h SER 42 CO -0.02 0.62 0.29 1.23 -1.14 0.00 0.00 176.83 177.80 1rii h GLY 43 N 1.07 0.90 1.02 -3.77 0.00 -0.72 -2.29 103.07 99.28 1rii h GLY 43 Ca 0.36 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1rii h GLY 43 CO -0.13 0.42 0.54 0.83 0.00 0.00 0.00 176.54 178.19 1rii h GLU 44 N 0.79 1.27 -0.70 4.80 5.08 -0.77 -2.03 114.58 123.04 1rii h GLU 44 Ca 0.20 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1rii h GLU 44 Cb 0.11 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1rii h GLU 44 CO -0.03 0.91 0.14 -0.07 -1.00 0.00 0.00 179.01 178.96 1rii h LEU 45 N 1.29 1.07 -0.41 1.33 3.38 -1.00 0.15 115.31 121.12 1rii h LEU 45 Ca 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1rii h LEU 45 Cb -0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1rii h LEU 45 CO -0.06 1.04 0.16 0.40 0.09 0.00 0.00 178.44 180.08 1rii h ILE 46 N 1.06 1.20 -0.46 1.22 2.04 -1.10 -2.21 117.51 119.26 1rii h ILE 46 Ca 0.22 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.33 1rii h ILE 46 Cb 0.40 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1rii h ILE 46 CO 0.01 0.23 -0.19 0.00 0.00 0.00 0.00 178.15 178.19 1rii h ALA 47 N 1.01 0.65 0.00 1.87 0.00 -1.23 -0.38 119.26 121.17 1rii h ALA 47 Ca 0.14 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1rii h ALA 47 Cb 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rii h ALA 47 CO -0.01 0.61 -0.02 0.93 0.00 0.00 0.00 179.25 180.76 1rii h GLU 48 N 0.79 0.00 -0.55 0.00 5.08 -0.52 -1.60 114.58 117.77 1rii h GLU 48 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1rii h GLU 48 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1rii h GLU 48 CO 0.06 0.02 0.00 0.72 -1.00 0.00 0.00 179.01 178.81 1rii n HIS 49 N -3.40 0.81 -3.80 4.33 8.25 -0.85 -4.97 115.22 115.58 1rii n HIS 49 Ca -0.03 -0.52 -0.26 0.00 -0.26 0.00 0.00 57.72 56.65 1rii n HIS 49 Cb 0.11 -0.04 0.03 0.00 1.12 0.00 0.00 29.99 31.21 1rii n HIS 49 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1rii n ASP 50 N 1.06 -3.52 -3.55 0.41 8.00 -0.60 -4.95 116.55 113.39 1rii n ASP 50 Ca 0.19 -0.77 -0.31 0.00 0.71 0.00 0.00 54.79 54.61 1rii n ASP 50 Cb 0.57 -4.08 -0.06 0.00 -0.02 0.00 0.00 41.12 37.54 1rii n ASP 50 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1rii n LEU 51 N -4.55 4.51 -4.61 0.64 4.77 -0.17 -5.03 117.00 112.56 1rii n LEU 51 Ca -0.10 -5.40 -0.42 0.00 -0.03 0.00 0.00 56.01 50.06 1rii n LEU 51 Cb 0.59 -0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 1rii n LEU 51 CO 0.72 1.98 0.67 -0.76 -1.33 0.00 0.00 177.39 178.67 1rii s LEU 52 N -2.62 4.06 0.65 2.23 1.43 -1.26 -4.76 118.68 118.40 1rii s LEU 52 Ca 0.38 0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 53.91 1rii s LEU 52 Cb 0.13 -3.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 1rii s LEU 52 CO 0.02 -0.74 1.25 -2.16 0.23 0.00 0.00 176.35 174.95 1rii s PRO 53 N 3.21 2.60 -0.05 1.29 0.04 -1.26 -4.76 135.00 136.06 1rii s PRO 53 Ca 0.35 1.94 0.20 0.00 0.04 0.00 0.00 61.00 63.53 1rii s PRO 53 Cb -0.13 -1.87 -0.31 0.00 0.04 0.00 0.00 34.50 32.23 1rii s PRO 53 CO 0.16 -1.52 0.39 -0.25 0.04 0.00 0.00 177.00 175.82 1rii n ASP 54 N -1.96 0.26 -3.70 6.66 8.00 0.83 -4.97 116.55 121.67 1rii n ASP 54 Ca 0.15 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.51 1rii n ASP 54 Cb 0.49 1.80 -0.08 0.00 -0.02 0.00 0.00 41.12 43.31 1rii n ASP 54 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1rii s VAL 55 N -3.29 0.05 -0.09 2.53 0.11 -1.15 -4.24 120.40 114.33 1rii s VAL 55 Ca -0.08 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 1rii s VAL 55 Cb 0.12 -0.79 -0.00 0.00 -1.53 0.00 0.00 36.38 34.18 1rii s VAL 55 CO 0.85 -0.24 -0.24 -0.22 -3.33 0.00 0.00 175.10 171.93 1rii s LEU 56 N -1.57 2.07 -0.08 2.54 2.96 -0.68 -1.35 118.68 122.57 1rii s LEU 56 Ca -0.10 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.30 1rii s LEU 56 Cb -0.03 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 1rii s LEU 56 CO 0.02 0.17 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.74 1rii s TYR 57 N 0.24 2.64 0.28 5.38 2.02 0.44 -1.40 117.35 126.95 1rii s TYR 57 Ca -0.16 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.01 1rii s TYR 57 Cb -0.17 -1.70 -0.05 0.00 -0.40 0.00 0.00 41.96 39.64 1rii s TYR 57 CO 0.08 -0.11 0.10 0.95 -1.57 0.00 0.00 175.55 174.99 1rii s THR 58 N -0.12 0.64 0.64 -0.71 -4.23 -0.79 -1.46 115.64 109.60 1rii s THR 58 Ca -0.03 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.37 1rii s THR 58 Cb -0.14 -2.64 0.15 0.00 1.34 0.00 0.00 72.50 71.21 1rii s THR 58 CO 0.04 0.00 0.82 -1.54 -0.54 0.00 0.00 174.62 173.40 1rii n SER 59 N -0.58 -0.17 -0.86 3.99 3.41 -1.24 -1.61 113.62 116.56 1rii n SER 59 Ca -0.00 -1.25 0.08 0.00 -0.26 0.00 0.00 58.87 57.44 1rii n SER 59 Cb 0.66 -0.64 0.23 0.00 -0.26 0.00 0.00 64.21 64.20 1rii n SER 59 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rii n LEU 60 N 0.00 2.52 -4.72 1.04 4.77 -1.24 -4.46 117.00 114.91 1rii n LEU 60 Ca 0.10 -1.23 -0.35 0.00 -0.03 0.00 0.00 56.01 54.50 1rii n LEU 60 Cb 0.36 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1rii n LEU 60 CO 0.26 0.61 -0.15 -0.76 -1.33 0.00 0.00 177.39 176.02 1rii s LEU 61 N -1.09 4.20 0.43 2.23 1.43 -1.26 -4.97 118.68 119.65 1rii s LEU 61 Ca 0.32 0.26 0.19 0.00 -1.03 0.00 0.00 54.13 53.87 1rii s LEU 61 Cb 0.17 -2.13 1.12 0.00 0.03 0.00 0.00 46.19 45.38 1rii s LEU 61 CO 0.23 0.15 1.85 0.08 0.23 0.00 0.00 176.35 178.90 1rii h ARG 62 N 6.78 0.36 0.00 1.70 0.11 -1.86 0.13 114.38 121.60 1rii h ARG 62 Ca -0.41 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.62 1rii h ARG 62 Cb 1.15 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.15 1rii h ARG 62 CO 0.75 0.24 -0.18 0.07 0.10 0.00 0.00 179.97 180.95 1rii h ARG 63 N 0.37 0.00 0.16 0.08 0.11 -1.90 0.13 114.38 113.33 1rii h ARG 63 Ca 0.47 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 60.21 1rii h ARG 63 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1rii h ARG 63 CO -0.17 0.18 -1.73 0.00 0.10 0.00 0.00 179.97 178.35 1rii h ALA 64 N 1.82 0.23 -0.05 0.08 0.00 -1.10 -3.06 119.26 117.18 1rii h ALA 64 Ca -0.00 -1.17 -0.00 0.00 0.00 0.00 0.00 54.91 53.74 1rii h ALA 64 Cb 0.41 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1rii h ALA 64 CO 0.02 1.09 0.03 0.82 0.00 0.00 0.00 179.25 181.21 1rii h ILE 65 N 0.09 1.08 -0.78 0.00 2.04 -0.88 0.37 117.51 119.44 1rii h ILE 65 Ca -0.33 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 1rii h ILE 65 Cb 2.07 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 1rii h ILE 65 CO 0.16 0.07 0.29 0.74 0.00 0.00 0.00 178.15 179.41 1rii h THR 66 N -0.01 1.26 -0.37 -0.27 2.02 -0.92 -0.66 112.91 113.96 1rii h THR 66 Ca 0.02 -0.86 0.06 0.00 0.77 0.00 0.00 66.41 66.40 1rii h THR 66 Cb 0.08 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 1rii h THR 66 CO -0.00 0.35 0.07 0.74 0.37 0.00 0.00 175.52 177.04 1rii h THR 67 N 1.14 0.81 -0.47 3.16 2.02 -1.35 -0.72 112.91 117.50 1rii h THR 67 Ca 0.26 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 1rii h THR 67 Cb 0.25 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1rii h THR 67 CO -0.02 0.03 0.29 0.00 0.37 0.00 0.00 175.52 176.20 1rii h ALA 68 N 1.28 0.59 -0.02 6.16 0.00 -0.69 -0.88 119.26 125.70 1rii h ALA 68 Ca 0.18 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1rii h ALA 68 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1rii h ALA 68 CO -0.24 0.07 -0.08 1.25 0.00 0.00 0.00 179.25 180.25 1rii h HIS 69 N 0.62 -0.20 -0.75 0.00 6.17 -0.66 -0.47 115.15 119.87 1rii h HIS 69 Ca 0.17 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.21 1rii h HIS 69 Cb -0.03 0.09 -0.03 0.00 2.52 0.00 0.00 27.41 29.96 1rii h HIS 69 CO -0.03 -0.13 0.28 -0.07 0.71 0.00 0.00 177.93 178.69 1rii h LEU 70 N -0.13 1.05 -0.29 0.26 3.38 -0.96 -1.03 115.31 117.58 1rii h LEU 70 Ca 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1rii h LEU 70 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1rii h LEU 70 CO -0.10 0.94 0.16 0.00 0.09 0.00 0.00 178.44 179.54 1rii h ALA 71 N 1.14 0.38 -0.01 1.53 0.00 -0.98 -1.45 119.26 119.86 1rii h ALA 71 Ca 0.25 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1rii h ALA 71 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1rii h ALA 71 CO -0.02 -0.10 -0.53 -0.07 0.00 0.00 0.00 179.25 178.54 1rii h LEU 72 N 0.36 0.04 0.17 0.00 3.38 -0.97 0.32 115.31 118.61 1rii h LEU 72 Ca 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1rii h LEU 72 Cb 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1rii h LEU 72 CO -0.02 0.56 -0.08 -0.78 0.09 0.00 0.00 178.44 178.22 1rii h ASP 73 N 0.03 -0.19 0.66 -0.43 3.58 -0.95 0.43 116.42 119.54 1rii h ASP 73 Ca -0.00 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 1rii h ASP 73 Cb 0.95 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.05 1rii h ASP 73 CO 0.07 -0.08 -0.07 0.28 -2.88 0.00 0.00 179.24 176.56 1rii h SER 74 N -0.28 0.00 0.02 2.28 0.02 -1.00 -1.25 113.55 113.34 1rii h SER 74 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1rii h SER 74 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1rii h SER 74 CO 0.04 0.07 -0.06 0.00 -1.14 0.00 0.00 176.83 175.74 1rii n ALA 75 N -2.17 2.67 -3.80 3.77 0.00 0.08 -4.49 120.51 116.57 1rii n ALA 75 Ca -0.01 -0.48 -0.26 0.00 0.00 0.00 0.00 53.44 52.69 1rii n ALA 75 Cb 0.27 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.66 1rii n ALA 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rii n ASP 76 N 0.20 -3.36 -1.94 0.00 2.03 -0.04 -4.90 116.55 108.54 1rii n ASP 76 Ca 0.17 -0.78 -0.02 0.00 0.52 0.00 0.00 54.79 54.67 1rii n ASP 76 Cb 0.39 -4.04 0.06 0.00 -0.72 0.00 0.00 41.12 36.81 1rii n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1rii n ARG 77 N -4.53 1.55 0.26 -0.67 5.12 -0.18 -4.87 116.66 113.34 1rii n ARG 77 Ca -0.11 -3.16 0.09 0.00 -1.93 0.00 0.00 57.85 52.74 1rii n ARG 77 Cb 0.59 -1.26 0.65 0.00 -1.16 0.00 0.00 32.46 31.28 1rii n ARG 77 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1rii h LEU 78 N 1.80 0.00 0.00 0.55 5.85 -1.89 -3.08 115.31 118.55 1rii h LEU 78 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1rii h LEU 78 Cb 1.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1rii h LEU 78 CO 0.24 0.07 0.00 -2.67 -0.34 0.00 0.00 178.44 175.74 1rii n TRP 79 N -4.27 0.00 -1.70 1.25 4.27 -1.26 -4.90 117.44 110.83 1rii n TRP 79 Ca -0.03 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.27 1rii n TRP 79 Cb 0.15 -0.33 0.04 0.00 -1.36 0.00 0.00 31.31 29.81 1rii n TRP 79 CO 0.00 0.00 0.00 0.96 -2.29 0.00 0.00 177.69 176.36 1rii s ILE 80 N -2.66 4.08 0.53 -1.67 -4.36 -1.16 -4.97 121.20 110.98 1rii s ILE 80 Ca 0.24 0.73 -0.22 0.00 -0.26 0.00 0.00 60.65 61.14 1rii s ILE 80 Cb 0.19 -3.45 -0.05 0.00 1.25 0.00 0.00 42.46 40.39 1rii s ILE 80 CO 0.44 -0.83 1.36 -2.84 0.24 0.00 0.00 174.94 173.31 1rii s PRO 81 N -4.88 3.24 -0.02 0.37 0.02 -1.26 -4.86 135.00 127.62 1rii s PRO 81 Ca 0.59 2.24 0.02 0.00 0.02 0.00 0.00 61.00 63.87 1rii s PRO 81 Cb -0.14 -2.32 0.00 0.00 0.02 0.00 0.00 34.50 32.07 1rii s PRO 81 CO 0.51 -1.11 -0.07 0.54 -0.33 0.00 0.00 177.00 176.53 1rii s VAL 82 N -1.30 0.64 0.02 3.83 0.11 -1.26 -1.69 120.40 120.75 1rii s VAL 82 Ca 0.70 -0.30 0.04 0.00 -2.93 0.00 0.00 61.98 59.49 1rii s VAL 82 Cb -0.40 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1rii s VAL 82 CO 0.48 0.20 -0.13 -0.13 -3.33 0.00 0.00 175.10 172.19 1rii s ARG 83 N 0.10 0.91 0.09 1.54 1.81 -0.49 -5.00 118.95 117.91 1rii s ARG 83 Ca -0.01 -0.64 0.08 0.00 -1.72 0.00 0.00 55.73 53.44 1rii s ARG 83 Cb -0.06 -0.90 -0.03 0.00 -0.45 0.00 0.00 34.95 33.51 1rii s ARG 83 CO 0.00 0.23 -0.22 1.03 -0.68 0.00 0.00 175.30 175.66 1rii s ARG 84 N -0.88 1.27 -0.15 3.54 0.52 -1.26 -1.89 118.95 120.10 1rii s ARG 84 Ca 0.02 -1.12 -0.12 0.00 -0.52 0.00 0.00 55.73 53.99 1rii s ARG 84 Cb -0.07 -1.51 0.04 0.00 0.52 0.00 0.00 34.95 33.93 1rii s ARG 84 CO 0.01 0.37 0.38 0.45 0.02 0.00 0.00 175.30 176.53 1rii s SER 85 N -1.68 -0.42 0.63 0.23 0.15 -0.63 -4.98 113.70 107.00 1rii s SER 85 Ca 0.08 0.79 0.35 0.00 0.70 0.00 0.00 55.95 57.87 1rii s SER 85 Cb -0.10 0.77 1.98 0.00 -1.71 0.00 0.00 66.02 66.96 1rii s SER 85 CO 0.04 -0.15 2.21 4.11 1.20 0.00 0.00 173.24 180.65 1rii h TRP 86 N 5.90 0.00 0.00 3.44 5.08 -1.91 -2.23 115.95 126.23 1rii h TRP 86 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.68 1rii h TRP 86 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1rii h TRP 86 CO 0.37 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.07 1rii n ARG 87 N -3.42 0.10 0.00 0.12 1.74 -1.26 -1.15 116.66 112.79 1rii n ARG 87 Ca -0.02 0.34 0.12 0.00 -0.77 0.00 0.00 57.85 57.52 1rii n ARG 87 Cb 0.19 -1.69 0.09 0.00 -1.02 0.00 0.00 32.46 30.02 1rii n ARG 87 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rii n LEU 88 N -1.87 1.83 -4.64 0.55 7.99 -0.84 -4.24 117.00 115.79 1rii n LEU 88 Ca 0.03 -0.65 -0.35 0.00 -0.01 0.00 0.00 56.01 55.03 1rii n LEU 88 Cb 0.20 -0.03 0.11 0.00 -0.11 0.00 0.00 43.42 43.59 1rii n LEU 88 CO 0.16 0.34 0.60 0.59 -1.51 0.00 0.00 177.39 177.57 1rii n ASN 89 N -0.13 0.58 -4.45 -1.43 4.13 -0.30 -4.35 115.26 109.32 1rii n ASN 89 Ca 0.10 0.62 -0.34 0.00 1.68 0.00 0.00 54.58 56.64 1rii n ASN 89 Cb 0.44 -1.44 0.11 0.00 -1.54 0.00 0.00 39.78 37.35 1rii n ASN 89 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1rii n GLU 90 N -2.44 -0.11 -1.77 3.52 4.07 -1.26 -4.37 120.64 118.28 1rii n GLU 90 Ca 0.13 0.02 -0.41 0.00 -0.06 0.00 0.00 57.16 56.84 1rii n GLU 90 Cb 0.50 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 1rii n GLU 90 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1rii n ARG 91 N -1.56 2.55 -2.50 5.31 0.63 -1.26 -4.73 116.66 115.10 1rii n ARG 91 Ca 0.08 0.89 -0.42 0.00 -0.92 0.00 0.00 57.85 57.48 1rii n ARG 91 Cb 0.52 -2.63 -0.03 0.00 0.45 0.00 0.00 32.46 30.77 1rii n ARG 91 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1rii s HIS 92 N -1.13 3.48 -2.05 -0.14 5.65 -1.26 -4.23 115.29 115.60 1rii s HIS 92 Ca 0.55 1.40 0.18 0.00 0.25 0.00 0.00 55.06 57.44 1rii s HIS 92 Cb -0.48 -3.34 0.50 0.00 -1.18 0.00 0.00 32.58 28.09 1rii s HIS 92 CO 0.63 -0.94 1.42 0.66 -0.65 0.00 0.00 174.74 175.85 1rii n TYR 93 N 4.02 0.70 -2.78 3.88 4.02 -1.26 -1.78 117.16 123.95 1rii n TYR 93 Ca 0.08 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 1rii n TYR 93 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 1rii n TYR 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rii n GLY 94 N 1.38 2.81 0.05 2.72 0.00 -1.26 -2.13 105.19 108.76 1rii n GLY 94 Ca 0.19 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1rii n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rii n ALA 95 N 8.82 1.59 0.51 4.61 0.00 0.03 -1.65 120.51 134.43 1rii n ALA 95 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1rii n ALA 95 Cb 0.00 -1.27 0.40 0.00 0.00 0.00 0.00 19.45 18.58 1rii n ALA 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rii n LEU 96 N -1.77 0.28 -4.68 0.00 4.32 -0.91 -4.76 117.00 109.47 1rii n LEU 96 Ca 0.03 0.56 -0.42 0.00 -0.02 0.00 0.00 56.01 56.16 1rii n LEU 96 Cb 0.17 -0.52 -0.03 0.00 -1.62 0.00 0.00 43.42 41.43 1rii n LEU 96 CO 0.14 -0.33 1.36 -1.10 -1.22 0.00 0.00 177.39 176.24 1rii s GLN 97 N -3.12 4.19 0.00 3.23 -0.21 -0.66 -0.52 119.66 122.58 1rii s GLN 97 Ca 0.07 2.32 0.00 0.00 0.02 0.00 0.00 55.36 57.77 1rii s GLN 97 Cb 0.10 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.37 1rii s GLN 97 CO 0.35 -0.78 0.00 0.41 -2.12 0.00 0.00 175.29 173.15 1rii n GLY 98 N 4.08 0.85 3.93 3.09 0.00 0.22 -4.82 105.19 112.53 1rii n GLY 98 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1rii n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rii s LEU 99 N 0.00 4.33 0.50 0.99 1.02 0.33 -4.83 118.68 121.02 1rii s LEU 99 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 54.13 54.44 1rii s LEU 99 Cb 0.00 -3.01 0.01 0.00 0.02 0.00 0.00 46.19 43.21 1rii s LEU 99 CO 0.00 0.09 0.73 1.51 0.02 0.00 0.00 176.35 178.71 1rii s ASP 100 N -2.80 5.57 0.11 2.29 1.47 -1.26 -1.05 116.67 121.00 1rii s ASP 100 Ca 0.36 0.19 -0.30 0.00 1.18 0.00 0.00 52.55 53.97 1rii s ASP 100 Cb -0.12 -1.26 -0.10 0.00 -0.34 0.00 0.00 42.92 41.10 1rii s ASP 100 CO 0.28 -0.92 1.59 0.50 0.68 0.00 0.00 175.17 177.31 1rii h LYS 101 N 0.22 -0.61 -0.48 2.11 3.64 -1.97 -1.23 116.57 118.24 1rii h LYS 101 Ca -0.44 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 1rii h LYS 101 Cb 1.27 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 33.17 1rii h LYS 101 CO 0.55 -0.41 -0.29 0.00 -2.27 0.00 0.00 179.45 177.04 1rii n ALA 102 N -2.80 -0.31 -0.24 5.00 0.00 -1.26 0.15 120.51 121.05 1rii n ALA 102 Ca -0.07 0.41 0.15 0.00 0.00 0.00 0.00 53.44 53.93 1rii n ALA 102 Cb 0.37 0.18 0.45 0.00 0.00 0.00 0.00 19.45 20.45 1rii n ALA 102 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1rii h GLU 103 N 0.00 0.52 -0.05 0.00 4.11 -1.96 0.15 114.58 117.35 1rii h GLU 103 Ca 0.08 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.40 1rii h GLU 103 Cb 0.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1rii h GLU 103 CO -0.45 0.34 -0.28 1.15 0.07 0.00 0.00 179.01 179.84 1rii h THR 104 N 0.54 1.45 -0.01 -1.06 2.02 0.27 -0.37 112.91 115.75 1rii h THR 104 Ca 0.44 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 1rii h THR 104 Cb 0.89 2.42 -0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1rii h THR 104 CO -0.18 0.49 -0.06 0.11 0.37 0.00 0.00 175.52 176.25 1rii h LYS 105 N -0.26 0.01 -0.35 6.66 1.57 0.11 -0.07 116.57 124.25 1rii h LYS 105 Ca -0.02 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1rii h LYS 105 Cb 0.95 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1rii h LYS 105 CO 0.06 0.07 -0.02 0.00 -0.57 0.00 0.00 179.45 178.98 1rii h ALA 106 N 1.93 0.47 0.05 3.86 0.00 -0.64 0.19 119.26 125.12 1rii h ALA 106 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.41 1rii h ALA 106 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rii h ALA 106 CO 0.01 0.26 -1.04 0.00 0.00 0.00 0.00 179.25 178.48 1rii h ARG 107 N 0.43 0.32 0.00 0.00 3.08 -0.57 -3.39 114.38 114.25 1rii h ARG 107 Ca 0.10 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1rii h ARG 107 Cb 0.49 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1rii h ARG 107 CO 0.02 1.12 0.00 0.66 -1.07 0.00 0.00 179.97 180.70 1rii n TYR 108 N -3.65 0.00 0.00 3.04 4.01 -0.08 -5.10 117.16 115.38 1rii n TYR 108 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1rii n TYR 108 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 1rii n TYR 108 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rii n GLY 109 N 0.40 -1.70 0.12 2.72 0.00 0.65 -4.29 105.19 103.08 1rii n GLY 109 Ca 0.00 -1.53 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 1rii n GLY 109 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rii h GLU 110 N 0.00 0.00 -0.31 1.61 5.08 -1.93 -2.64 114.58 116.39 1rii h GLU 110 Ca 0.00 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1rii h GLU 110 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1rii h GLU 110 CO 0.00 0.72 0.10 0.93 -1.00 0.00 0.00 179.01 179.75 1rii h GLU 111 N 0.00 0.48 -0.15 2.33 5.08 -1.96 -2.21 114.58 118.15 1rii h GLU 111 Ca -0.01 -0.10 -0.20 0.00 -1.00 0.00 0.00 59.36 58.04 1rii h GLU 111 Cb 1.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1rii h GLU 111 CO 0.09 0.53 -0.72 1.96 -1.00 0.00 0.00 179.01 179.87 1rii h GLN 112 N 0.34 0.69 -1.00 2.33 4.20 -1.74 -1.58 115.11 118.35 1rii h GLN 112 Ca 0.10 -0.53 0.21 0.00 0.06 0.00 0.00 58.65 58.49 1rii h GLN 112 Cb 0.25 0.10 -0.11 0.00 0.30 0.00 0.00 27.48 28.02 1rii h GLN 112 CO -0.00 1.15 0.61 0.35 -0.67 0.00 0.00 178.83 180.27 1rii h PHE 113 N 0.48 1.00 -0.02 2.96 3.04 -1.39 0.44 116.94 123.44 1rii h PHE 113 Ca -0.03 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 1rii h PHE 113 Cb 1.32 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 39.54 1rii h PHE 113 CO 0.07 0.17 -0.20 1.98 -2.02 0.00 0.00 178.31 178.31 1rii h MET 114 N 0.67 0.17 -0.74 1.11 4.05 -1.05 -2.42 114.93 116.73 1rii h MET 114 Ca 0.59 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.84 1rii h MET 114 Cb 1.05 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.86 1rii h MET 114 CO -0.39 0.84 0.39 0.00 0.23 0.00 0.00 176.91 177.99 1rii h ALA 115 N 0.33 1.31 0.00 0.39 0.00 -0.59 0.77 119.26 121.47 1rii h ALA 115 Ca -0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1rii h ALA 115 Cb 0.90 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1rii h ALA 115 CO 0.04 0.56 -0.32 -1.49 0.00 0.00 0.00 179.25 178.03 1rii h TRP 116 N 1.03 0.00 0.02 0.00 6.55 -0.15 0.25 115.95 123.65 1rii h TRP 116 Ca 0.26 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.05 1rii h TRP 116 Cb 0.04 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 1rii h TRP 116 CO 0.01 0.32 -0.20 -0.09 -1.05 0.00 0.00 178.44 177.43 1rii h ARG 117 N 0.00 0.10 -0.26 0.49 9.65 -0.86 -3.40 114.38 120.11 1rii h ARG 117 Ca -0.00 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1rii h ARG 117 Cb 0.79 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 1rii h ARG 117 CO 0.04 0.98 0.00 0.54 2.80 0.00 0.00 179.97 184.33 1rii n ARG 118 N -4.52 2.23 -2.19 0.20 3.00 0.20 -4.99 116.66 110.59 1rii n ARG 118 Ca -0.10 -1.81 -0.32 0.00 -0.01 0.00 0.00 57.85 55.61 1rii n ARG 118 Cb 0.52 -1.25 -0.02 0.00 0.00 0.00 0.00 32.46 31.71 1rii n ARG 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1rii s SER 119 N -0.98 6.43 -0.12 0.55 0.15 0.87 -4.93 113.70 115.66 1rii s SER 119 Ca 0.20 1.53 0.07 0.00 0.70 0.00 0.00 55.95 58.46 1rii s SER 119 Cb 0.11 -2.50 -0.23 0.00 -1.71 0.00 0.00 66.02 61.69 1rii s SER 119 CO 0.15 -0.72 0.34 0.00 1.20 0.00 0.00 173.24 174.21 1rii n TYR 120 N -2.01 0.73 -0.05 3.44 9.36 -1.26 -4.63 117.16 122.73 1rii n TYR 120 Ca 0.06 0.21 0.01 0.00 3.32 0.00 0.00 57.90 61.51 1rii n TYR 120 Cb 0.54 -1.12 0.03 0.00 -0.63 0.00 0.00 39.34 38.16 1rii n TYR 120 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1rii n ASP 121 N -3.13 2.19 -4.21 2.98 9.92 -1.26 -0.93 116.55 122.11 1rii n ASP 121 Ca -0.28 -2.02 -0.37 0.00 -0.53 0.00 0.00 54.79 51.60 1rii n ASP 121 Cb 1.07 -0.05 -0.13 0.00 -0.64 0.00 0.00 41.12 41.37 1rii n ASP 121 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1rii s THR 122 N -1.03 3.44 0.64 -3.53 2.01 -1.26 -4.98 115.64 110.93 1rii s THR 122 Ca 0.05 -1.41 -0.12 0.00 0.31 0.00 0.00 61.69 60.52 1rii s THR 122 Cb 0.03 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 1rii s THR 122 CO 0.03 -0.27 1.04 -2.16 -0.69 0.00 0.00 174.62 172.57 1rii s PRO 123 N 1.30 3.27 1.12 4.92 0.04 -1.26 -4.69 135.00 139.71 1rii s PRO 123 Ca -0.01 0.92 -0.15 0.00 0.04 0.00 0.00 61.00 61.80 1rii s PRO 123 Cb -0.20 -2.04 0.25 0.00 0.04 0.00 0.00 34.50 32.55 1rii s PRO 123 CO 0.00 -0.83 1.07 -2.14 0.04 0.00 0.00 177.00 175.14 1rii s PRO 124 N -4.89 -0.56 0.62 0.56 0.02 -1.26 -4.96 135.00 124.53 1rii s PRO 124 Ca 0.58 0.40 -0.18 0.00 0.02 0.00 0.00 61.00 61.82 1rii s PRO 124 Cb -0.13 -1.63 -0.02 0.00 0.02 0.00 0.00 34.50 32.74 1rii s PRO 124 CO 0.51 -3.37 1.21 -2.14 -0.33 0.00 0.00 177.00 172.87 1rii s PRO 125 N -4.96 2.81 0.42 5.54 0.02 -1.26 -4.80 135.00 132.77 1rii s PRO 125 Ca 0.68 1.81 -0.26 0.00 0.02 0.00 0.00 61.00 63.25 1rii s PRO 125 Cb -0.18 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.35 1rii s PRO 125 CO 0.59 -1.33 1.30 -2.14 -0.33 0.00 0.00 177.00 175.09 1rii s PRO 126 N -3.46 3.90 0.58 5.54 0.02 -1.26 -0.79 135.00 139.52 1rii s PRO 126 Ca 0.77 2.14 -0.17 0.00 0.02 0.00 0.00 61.00 63.76 1rii s PRO 126 Cb -0.30 -2.70 -0.04 0.00 0.02 0.00 0.00 34.50 31.48 1rii s PRO 126 CO 0.36 -0.54 1.06 -1.50 -0.33 0.00 0.00 177.00 176.05 1rii s ILE 127 N -1.28 3.72 0.15 2.83 2.07 0.04 -4.15 121.20 124.57 1rii s ILE 127 Ca 0.58 0.86 -0.30 0.00 -1.41 0.00 0.00 60.65 60.39 1rii s ILE 127 Cb -0.38 -3.36 -0.07 0.00 0.13 0.00 0.00 42.46 38.79 1rii s ILE 127 CO 0.48 -0.43 1.07 -0.70 -1.91 0.00 0.00 174.94 173.45 1rii s GLU 128 N -3.90 4.60 0.23 3.50 2.12 -1.26 -4.90 118.70 119.09 1rii s GLU 128 Ca 0.65 1.65 -0.31 0.00 0.36 0.00 0.00 54.97 57.32 1rii s GLU 128 Cb -0.17 -3.31 -0.11 0.00 0.26 0.00 0.00 34.13 30.80 1rii s GLU 128 CO 0.34 0.08 1.63 1.03 -0.54 0.00 0.00 175.26 177.80 1rii s ARG 129 N -0.12 4.15 0.00 4.30 0.52 -1.26 -2.14 118.95 124.40 1rii s ARG 129 Ca 0.50 2.53 0.00 0.00 -0.52 0.00 0.00 55.73 58.24 1rii s ARG 129 Cb -0.28 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.12 1rii s ARG 129 CO 0.33 -0.66 0.00 0.41 0.02 0.00 0.00 175.30 175.40 1rii n GLY 130 N 3.19 0.42 3.86 -3.53 0.00 -1.26 -5.03 105.19 102.84 1rii n GLY 130 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1rii n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rii s SER 131 N -2.07 2.72 0.32 1.61 1.04 -0.91 -4.95 113.70 111.46 1rii s SER 131 Ca 0.00 0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.84 1rii s SER 131 Cb 0.00 -0.47 0.55 0.00 0.10 0.00 0.00 66.02 66.20 1rii s SER 131 CO 0.00 -2.99 1.81 -0.61 0.98 0.00 0.00 173.24 172.43 1rii h GLN 132 N -1.82 0.43 -0.29 4.02 4.15 -1.96 -2.94 115.11 116.71 1rii h GLN 132 Ca -0.45 -0.13 -0.11 0.00 0.77 0.00 0.00 58.65 58.74 1rii h GLN 132 Cb 1.25 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.83 1rii h GLN 132 CO 0.38 0.58 -0.06 1.19 -1.93 0.00 0.00 178.83 178.99 1rii n PHE 133 N -4.20 0.93 -3.68 3.99 3.72 -1.26 -4.98 117.46 111.97 1rii n PHE 133 Ca 0.00 -1.33 -0.30 0.00 -0.05 0.00 0.00 57.45 55.77 1rii n PHE 133 Cb 0.33 -0.40 -0.04 0.00 -0.94 0.00 0.00 39.48 38.42 1rii n PHE 133 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1rii s SER 134 N -2.40 6.45 0.00 4.37 0.15 -1.11 -4.74 113.70 116.42 1rii s SER 134 Ca 0.43 0.53 0.10 0.00 0.70 0.00 0.00 55.95 57.70 1rii s SER 134 Cb 0.38 -2.07 0.10 0.00 -1.71 0.00 0.00 66.02 62.72 1rii s SER 134 CO 0.03 0.02 0.86 0.00 1.20 0.00 0.00 173.24 175.35 1rii n GLN 135 N -0.13 0.66 0.33 5.44 3.00 -1.26 -4.66 117.38 120.75 1rii n GLN 135 Ca -0.03 -1.19 0.20 0.00 -0.01 0.00 0.00 57.00 55.98 1rii n GLN 135 Cb 0.52 -1.19 1.10 0.00 0.00 0.00 0.00 30.24 30.67 1rii n GLN 135 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1rii h ASP 136 N 1.88 0.00 -0.00 1.08 2.03 -1.93 0.14 116.42 119.61 1rii h ASP 136 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1rii h ASP 136 Cb 0.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 1rii h ASP 136 CO 0.00 0.00 -0.30 0.00 -1.03 0.00 0.00 179.24 177.91 1rii n ALA 137 N -2.09 3.15 -2.12 4.15 0.00 -1.26 -4.26 120.51 118.08 1rii n ALA 137 Ca -0.03 -0.64 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 1rii n ALA 137 Cb 0.14 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1rii n ALA 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rii s ASP 138 N -2.31 6.86 0.48 0.00 -1.08 0.47 -4.88 116.67 116.21 1rii s ASP 138 Ca 0.22 2.34 0.32 0.00 -0.52 0.00 0.00 52.55 54.92 1rii s ASP 138 Cb 0.19 -2.59 1.64 0.00 -1.46 0.00 0.00 42.92 40.70 1rii s ASP 138 CO 0.48 -0.60 1.98 1.55 0.52 0.00 0.00 175.17 179.10 1rii h PRO 139 N 6.26 0.00 0.00 4.34 0.13 -1.92 -1.54 132.00 139.27 1rii h PRO 139 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1rii h PRO 139 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1rii h PRO 139 CO 0.83 0.00 0.00 2.89 -0.23 0.00 0.00 178.00 181.49 1rii n ARG 140 N -2.69 0.17 -0.17 0.86 1.85 -1.26 -2.25 116.66 113.17 1rii n ARG 140 Ca -0.01 0.32 0.06 0.00 -1.00 0.00 0.00 57.85 57.22 1rii n ARG 140 Cb 0.12 -1.78 0.15 0.00 -1.05 0.00 0.00 32.46 29.90 1rii n ARG 140 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1rii n TYR 141 N -2.09 0.45 -0.15 2.89 4.01 -0.58 -4.66 117.16 117.02 1rii n TYR 141 Ca 0.03 -0.47 0.11 0.00 -0.16 0.00 0.00 57.90 57.42 1rii n TYR 141 Cb 0.28 -0.02 0.44 0.00 -0.31 0.00 0.00 39.34 39.72 1rii n TYR 141 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rii h ALA 142 N 2.10 1.92 0.00 -0.72 0.00 -1.48 -0.26 119.26 120.81 1rii h ALA 142 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rii h ALA 142 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1rii h ALA 142 CO 0.00 -0.07 0.00 -0.25 0.00 0.00 0.00 179.25 178.93 1rii n ASP 143 N -4.49 0.00 -0.88 0.00 8.00 -1.26 -2.02 116.55 115.91 1rii n ASP 143 Ca 0.12 0.37 0.03 0.00 0.71 0.00 0.00 54.79 56.01 1rii n ASP 143 Cb 0.36 -0.45 0.21 0.00 -0.02 0.00 0.00 41.12 41.22 1rii n ASP 143 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1rii n ILE 144 N -1.45 2.35 -2.10 0.53 -5.35 -0.24 -4.95 119.36 108.14 1rii n ILE 144 Ca 0.07 -2.44 -0.11 0.00 -0.27 0.00 0.00 62.75 60.00 1rii n ILE 144 Cb 0.26 -0.28 -0.01 0.00 -1.74 0.00 0.00 39.64 37.87 1rii n ILE 144 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rii n GLY 145 N -0.97 0.07 1.15 3.28 0.00 -0.86 -2.22 105.19 105.64 1rii n GLY 145 Ca 0.26 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1rii n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rii n GLY 146 N -1.08 2.39 0.00 -0.02 0.00 -0.41 -4.95 105.19 101.12 1rii n GLY 146 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1rii n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rii n GLY 147 N -2.00 -0.24 3.80 -0.02 0.00 -0.94 -3.96 105.19 101.83 1rii n GLY 147 Ca 0.00 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 1rii n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rii s PRO 148 N -1.44 2.94 0.00 1.61 0.04 -1.26 -4.96 135.00 131.92 1rii s PRO 148 Ca 0.00 1.10 0.22 0.00 0.04 0.00 0.00 61.00 62.36 1rii s PRO 148 Cb 0.00 -1.98 0.27 0.00 0.04 0.00 0.00 34.50 32.83 1rii s PRO 148 CO 0.00 -1.11 1.26 1.28 0.04 0.00 0.00 177.00 178.47 1rii n LEU 149 N -2.79 3.05 -3.56 -3.56 4.77 -1.26 -4.95 117.00 108.70 1rii n LEU 149 Ca 0.08 -1.23 -0.06 0.00 -0.03 0.00 0.00 56.01 54.77 1rii n LEU 149 Cb 0.53 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1rii n LEU 149 CO 0.52 0.59 0.87 0.28 -1.33 0.00 0.00 177.39 178.32 1rii s THR 150 N -1.64 0.00 -0.10 -5.08 -1.32 -1.26 -0.78 115.64 105.46 1rii s THR 150 Ca 0.30 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.66 1rii s THR 150 Cb 0.19 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.21 1rii s THR 150 CO 0.28 0.00 0.31 -1.61 -2.21 0.00 0.00 174.62 171.39 1rii s GLU 151 N -2.50 0.43 0.43 7.08 2.02 -0.74 -4.88 118.70 120.54 1rii s GLU 151 Ca 0.07 0.30 0.08 0.00 0.02 0.00 0.00 54.97 55.43 1rii s GLU 151 Cb -0.01 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.43 1rii s GLU 151 CO -0.06 -0.07 0.51 0.00 0.02 0.00 0.00 175.26 175.66 1rii h LEU 153 N 0.76 0.78 -1.67 0.00 5.85 -1.78 0.13 115.31 119.39 1rii h LEU 153 Ca -0.40 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1rii h LEU 153 Cb 1.28 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1rii h LEU 153 CO 0.49 0.54 0.29 0.00 -0.34 0.00 0.00 178.44 179.42 1rii h ALA 154 N 1.56 1.87 -0.02 1.25 0.00 -1.40 -0.52 119.26 122.00 1rii h ALA 154 Ca 0.30 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 1rii h ALA 154 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1rii h ALA 154 CO -0.09 0.07 -0.81 -0.44 0.00 0.00 0.00 179.25 177.97 1rii h ASP 155 N 0.42 0.30 -0.33 0.00 3.32 -1.03 -2.49 116.42 116.62 1rii h ASP 155 Ca 0.18 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1rii h ASP 155 Cb 0.19 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1rii h ASP 155 CO -0.04 0.99 -0.07 0.58 -1.72 0.00 0.00 179.24 178.98 1rii h VAL 156 N 0.14 1.28 -0.57 -1.35 2.07 -0.55 -1.75 116.25 115.53 1rii h VAL 156 Ca -0.04 -1.11 0.08 0.00 0.82 0.00 0.00 66.70 66.45 1rii h VAL 156 Cb 1.41 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 1rii h VAL 156 CO 0.13 0.36 0.22 0.58 0.02 0.00 0.00 177.57 178.88 1rii h VAL 157 N 0.41 0.81 -0.72 2.57 2.07 -1.06 0.30 116.25 120.63 1rii h VAL 157 Ca 0.08 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 1rii h VAL 157 Cb 0.56 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1rii h VAL 157 CO 0.03 0.07 0.21 0.00 0.02 0.00 0.00 177.57 177.91 1rii h ALA 158 N 1.38 1.02 0.00 1.67 0.00 -1.25 -1.92 119.26 120.16 1rii h ALA 158 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rii h ALA 158 Cb 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rii h ALA 158 CO -0.27 0.65 -1.12 2.89 0.00 0.00 0.00 179.25 181.40 1rii n ARG 159 N -4.25 0.56 -0.01 0.00 -4.01 -0.67 -4.29 116.66 103.99 1rii n ARG 159 Ca 0.06 0.06 -0.12 0.00 -1.04 0.00 0.00 57.85 56.81 1rii n ARG 159 Cb 0.23 -1.75 -0.10 0.00 -3.04 0.00 0.00 32.46 27.80 1rii n ARG 159 CO 0.00 0.00 0.00 0.35 -3.04 0.00 0.00 177.63 174.94 1rii h PHE 160 N 0.00 -0.07 -0.79 2.89 3.57 -0.27 -3.38 116.94 118.89 1rii h PHE 160 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1rii h PHE 160 Cb 0.95 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 1rii h PHE 160 CO 0.00 0.53 0.52 1.25 -2.23 0.00 0.00 178.31 178.38 1rii h LEU 161 N -0.75 0.78 -1.39 0.59 5.85 -1.53 -1.63 115.31 117.23 1rii h LEU 161 Ca -0.01 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 1rii h LEU 161 Cb 0.62 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1rii h LEU 161 CO 0.01 0.51 0.52 -0.65 -0.34 0.00 0.00 178.44 178.49 1rii h PRO 162 N 0.89 0.64 -0.38 5.25 0.11 -1.77 -0.14 132.00 136.59 1rii h PRO 162 Ca 0.34 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 1rii h PRO 162 Cb 0.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1rii h PRO 162 CO -0.11 0.42 -0.15 -0.92 -0.21 0.00 0.00 178.00 177.03 1rii h TYR 163 N 0.66 0.89 -0.02 0.65 3.20 -1.51 -1.49 116.97 119.34 1rii h TYR 163 Ca 0.38 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1rii h TYR 163 Cb 0.57 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 1rii h TYR 163 CO -0.00 0.94 0.01 0.35 -1.64 0.00 0.00 178.16 177.82 1rii h PHE 164 N 0.58 0.02 -0.15 -3.82 3.57 -1.14 -1.07 116.94 114.93 1rii h PHE 164 Ca 0.09 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.42 1rii h PHE 164 Cb 0.69 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.43 1rii h PHE 164 CO 0.06 0.05 -0.55 1.79 -2.23 0.00 0.00 178.31 177.43 1rii h THR 165 N -0.01 1.33 0.00 4.41 1.35 -1.08 -0.68 112.91 118.23 1rii h THR 165 Ca 0.01 -1.81 -0.06 0.00 -0.55 0.00 0.00 66.41 64.00 1rii h THR 165 Cb 0.03 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1rii h THR 165 CO -0.00 0.56 -0.47 0.44 -0.25 0.00 0.00 175.52 175.80 1rii h ASP 166 N 0.31 0.00 0.00 5.36 5.19 -1.28 -3.38 116.42 122.63 1rii h ASP 166 Ca -0.03 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1rii h ASP 166 Cb 1.18 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.69 1rii h ASP 166 CO 0.12 0.25 -0.46 0.52 -3.12 0.00 0.00 179.24 176.54 1rii n VAL 167 N -3.07 0.73 -0.04 -1.35 0.31 -0.43 -4.79 118.33 109.70 1rii n VAL 167 Ca 0.01 0.23 -0.16 0.00 -0.01 0.00 0.00 64.34 64.41 1rii n VAL 167 Cb 0.64 -1.57 -0.05 0.00 -0.91 0.00 0.00 33.84 31.95 1rii n VAL 167 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1rii h ILE 168 N -0.03 1.28 -0.54 2.52 2.04 -1.25 -3.18 117.51 118.34 1rii h ILE 168 Ca -0.01 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.99 1rii h ILE 168 Cb 0.45 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1rii h ILE 168 CO -0.00 0.60 0.35 0.58 0.00 0.00 0.00 178.15 179.67 1rii h VAL 169 N 0.59 1.15 -0.90 1.67 2.07 -1.30 -1.96 116.25 117.56 1rii h VAL 169 Ca -0.02 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.29 1rii h VAL 169 Cb 1.29 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1rii h VAL 169 CO 0.14 0.14 0.56 1.23 0.02 0.00 0.00 177.57 179.66 1rii h GLY 170 N 0.75 1.39 1.08 2.17 0.00 -1.75 0.79 103.07 107.51 1rii h GLY 170 Ca 0.20 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 1rii h GLY 170 CO -0.04 0.23 -0.11 -0.55 0.00 0.00 0.00 176.54 176.08 1rii h ASP 171 N 0.98 1.01 -0.62 0.19 3.32 -1.46 -2.75 116.42 117.08 1rii h ASP 171 Ca 0.41 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1rii h ASP 171 Cb 0.26 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1rii h ASP 171 CO -0.20 1.12 0.05 -0.07 -1.72 0.00 0.00 179.24 178.42 1rii h LEU 172 N 0.87 1.03 -1.32 1.55 4.07 -1.02 -1.33 115.31 119.17 1rii h LEU 172 Ca 0.14 -0.27 -0.05 0.00 0.08 0.00 0.00 57.88 57.77 1rii h LEU 172 Cb 0.67 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1rii h LEU 172 CO 0.05 1.05 -0.12 -0.09 -1.08 0.00 0.00 178.44 178.25 1rii h ARG 173 N 0.99 0.31 -0.70 1.13 2.43 -0.57 0.69 114.38 118.65 1rii h ARG 173 Ca 0.19 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1rii h ARG 173 Cb 0.49 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1rii h ARG 173 CO 0.02 0.44 0.00 1.33 -1.51 0.00 0.00 179.97 180.25 1rii n VAL 174 N -4.26 1.73 -0.35 0.20 0.24 -1.08 -4.72 118.33 110.09 1rii n VAL 174 Ca -0.00 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.39 1rii n VAL 174 Cb 0.28 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 1rii n VAL 174 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rii n GLY 175 N 0.51 0.68 3.77 7.63 0.00 -0.70 -4.94 105.19 112.13 1rii n GLY 175 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1rii n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rii s LYS 176 N -0.65 4.08 -0.23 1.61 1.02 -0.52 -4.07 119.74 120.98 1rii s LYS 176 Ca 0.00 1.96 -0.26 0.00 0.02 0.00 0.00 55.97 57.69 1rii s LYS 176 Cb 0.00 -2.75 -0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1rii s LYS 176 CO 0.00 -0.34 0.91 0.99 -0.92 0.00 0.00 175.35 175.99 1rii s THR 177 N -1.33 4.78 -0.15 2.17 2.01 -1.26 -3.73 115.64 118.12 1rii s THR 177 Ca 0.56 1.75 -0.02 0.00 0.31 0.00 0.00 61.69 64.29 1rii s THR 177 Cb -0.34 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 67.96 1rii s THR 177 CO 0.43 -0.10 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.48 1rii s VAL 178 N 2.89 3.32 -0.22 3.82 1.01 -0.09 -0.12 120.40 131.01 1rii s VAL 178 Ca 0.39 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1rii s VAL 178 Cb -0.15 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1rii s VAL 178 CO 0.08 0.50 0.08 -0.22 0.00 0.00 0.00 175.10 175.54 1rii s LEU 179 N 0.55 3.69 -0.20 3.92 2.96 -0.46 -0.12 118.68 129.01 1rii s LEU 179 Ca -0.06 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1rii s LEU 179 Cb -0.15 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.57 1rii s LEU 179 CO 0.03 0.06 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.39 1rii s ILE 180 N 1.05 2.88 -0.26 6.68 1.01 -0.00 -0.42 121.20 132.14 1rii s ILE 180 Ca 0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1rii s ILE 180 Cb -0.14 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.07 1rii s ILE 180 CO 0.03 0.47 -0.03 -0.69 0.00 0.00 0.00 174.94 174.73 1rii s VAL 181 N 1.39 3.18 0.00 2.92 1.01 -0.53 -0.69 120.40 127.67 1rii s VAL 181 Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1rii s VAL 181 Cb -0.14 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1rii s VAL 181 CO -0.07 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.22 1rii n ALA 182 N 4.73 0.00 -2.28 5.51 0.00 -0.31 -3.63 120.51 124.52 1rii n ALA 182 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 1rii n ALA 182 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 1rii n ALA 182 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1rii s HIS 183 N 0.91 1.38 0.16 0.00 3.76 -1.26 -2.78 115.29 117.47 1rii s HIS 183 Ca 0.00 -0.84 -0.25 0.00 -0.15 0.00 0.00 55.06 53.82 1rii s HIS 183 Cb 0.00 -0.75 0.03 0.00 1.11 0.00 0.00 32.58 32.97 1rii s HIS 183 CO 0.00 0.01 1.58 0.78 -0.85 0.00 0.00 174.74 176.26 1rii h GLY 184 N 2.65 -0.43 1.99 -2.22 0.00 -1.94 -0.15 103.07 102.96 1rii h GLY 184 Ca -0.37 0.52 -0.20 0.00 0.00 0.00 0.00 47.33 47.27 1rii h GLY 184 CO 0.64 -0.18 -0.96 3.43 0.00 0.00 0.00 176.54 179.46 1rii h ASN 185 N -0.27 0.00 -0.08 0.19 2.35 -1.96 -0.22 115.58 115.59 1rii h ASN 185 Ca 0.17 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.74 1rii h ASN 185 Cb 0.57 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 1rii h ASN 185 CO -0.61 0.96 -0.56 0.77 -1.65 0.00 0.00 177.43 176.33 1rii h SER 186 N 0.00 0.75 0.01 5.81 4.64 -1.70 -0.20 113.55 122.85 1rii h SER 186 Ca -0.01 -0.41 -0.14 0.00 -0.47 0.00 0.00 61.79 60.76 1rii h SER 186 Cb 1.74 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.61 1rii h SER 186 CO 0.12 1.15 -0.46 -0.07 -0.87 0.00 0.00 176.83 176.70 1rii h LEU 187 N 0.51 0.57 -0.83 5.97 3.38 -1.02 -2.34 115.31 121.56 1rii h LEU 187 Ca 0.01 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.77 1rii h LEU 187 Cb 1.13 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1rii h LEU 187 CO 0.11 0.95 0.50 -0.09 0.09 0.00 0.00 178.44 180.01 1rii h ARG 188 N 0.43 0.89 -0.61 1.13 2.43 -0.84 0.50 114.38 118.31 1rii h ARG 188 Ca 0.03 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1rii h ARG 188 Cb 0.97 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 1rii h ARG 188 CO 0.09 0.59 0.40 0.00 -1.51 0.00 0.00 179.97 179.53 1rii h ALA 189 N 1.40 0.77 -0.43 2.80 0.00 -0.76 -0.35 119.26 122.69 1rii h ALA 189 Ca 0.37 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1rii h ALA 189 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1rii h ALA 189 CO -0.18 0.19 0.02 1.25 0.00 0.00 0.00 179.25 180.53 1rii h LEU 190 N 0.81 0.73 -1.01 0.00 5.85 -0.85 -2.20 115.31 118.64 1rii h LEU 190 Ca 0.22 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1rii h LEU 190 Cb -0.09 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 1rii h LEU 190 CO -0.05 0.84 0.24 0.58 -0.34 0.00 0.00 178.44 179.71 1rii h VAL 191 N 0.59 1.23 -0.52 1.05 2.07 -0.66 0.25 116.25 120.26 1rii h VAL 191 Ca 0.12 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 66.99 1rii h VAL 191 Cb 0.46 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1rii h VAL 191 CO 0.02 0.29 0.12 0.50 0.02 0.00 0.00 177.57 178.52 1rii h LYS 192 N 0.93 0.25 0.26 1.57 3.64 -0.64 -0.39 116.57 122.20 1rii h LYS 192 Ca 0.22 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1rii h LYS 192 Cb 0.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1rii h LYS 192 CO -0.02 0.17 -0.13 1.25 -2.27 0.00 0.00 179.45 178.45 1rii h HIS 193 N 0.26 -0.33 -0.82 1.91 2.76 -0.74 0.11 115.15 118.29 1rii h HIS 193 Ca 0.26 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.49 1rii h HIS 193 Cb 0.35 0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.36 1rii h HIS 193 CO -0.22 0.01 0.50 -0.07 -1.30 0.00 0.00 177.93 176.84 1rii h LEU 194 N -0.70 0.77 -2.01 0.26 3.38 -0.23 -2.51 115.31 114.28 1rii h LEU 194 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rii h LEU 194 Cb 0.48 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1rii h LEU 194 CO 0.06 0.49 0.00 0.47 0.09 0.00 0.00 178.44 179.55 1rii n ASP 195 N -4.66 3.08 -3.76 -0.43 8.00 -0.18 -4.40 116.55 114.20 1rii n ASP 195 Ca 0.12 -1.97 -0.22 0.00 0.71 0.00 0.00 54.79 53.42 1rii n ASP 195 Cb 0.19 -0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.22 1rii n ASP 195 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rii n GLN 196 N 1.33 -4.61 -2.43 -1.24 1.13 0.29 -4.96 117.38 106.89 1rii n GLN 196 Ca 0.16 0.58 -0.31 0.00 -1.94 0.00 0.00 57.00 55.49 1rii n GLN 196 Cb 0.59 -5.06 -0.02 0.00 0.11 0.00 0.00 30.24 25.85 1rii n GLN 196 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1rii s MET 197 N -6.11 3.83 0.68 -1.09 -1.94 -0.70 -5.04 119.30 108.94 1rii s MET 197 Ca 0.02 0.77 -0.11 0.00 -1.71 0.00 0.00 55.69 54.67 1rii s MET 197 Cb -0.01 -2.20 -0.00 0.00 2.01 0.00 0.00 34.83 34.63 1rii s MET 197 CO 0.83 -0.26 1.06 -1.54 -0.01 0.00 0.00 175.02 175.09 1rii s SER 198 N -3.32 5.59 0.35 3.03 1.04 -1.26 -4.91 113.70 114.23 1rii s SER 198 Ca 0.56 1.45 0.05 0.00 0.48 0.00 0.00 55.95 58.48 1rii s SER 198 Cb -0.10 -2.36 0.70 0.00 0.10 0.00 0.00 66.02 64.35 1rii s SER 198 CO 0.36 -1.29 1.96 0.44 0.98 0.00 0.00 173.24 175.69 1rii h ASP 199 N -0.61 0.71 -0.32 7.02 3.32 -2.00 -2.32 116.42 122.21 1rii h ASP 199 Ca -0.44 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.45 1rii h ASP 199 Cb 1.22 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1rii h ASP 199 CO 0.60 0.47 -0.37 0.44 -1.72 0.00 0.00 179.24 178.66 1rii h ASP 200 N 0.81 0.92 1.66 6.45 3.32 -2.01 -3.28 116.42 124.29 1rii h ASP 200 Ca 0.31 -0.41 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 1rii h ASP 200 Cb 0.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1rii h ASP 200 CO -0.10 1.18 -0.35 -0.08 -1.72 0.00 0.00 179.24 178.17 1rii h GLU 201 N 0.71 0.00 0.01 3.56 4.81 -1.87 -3.36 114.58 118.44 1rii h GLU 201 Ca 0.06 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.10 1rii h GLU 201 Cb 0.94 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 1rii h GLU 201 CO 0.09 0.26 -0.90 0.97 -0.73 0.00 0.00 179.01 178.70 1rii h ILE 202 N 0.00 1.58 -0.62 2.32 6.09 -1.48 -3.30 117.51 122.10 1rii h ILE 202 Ca -0.01 -2.89 -0.04 0.00 -1.37 0.00 0.00 64.86 60.56 1rii h ILE 202 Cb 1.21 2.59 -0.03 0.00 0.47 0.00 0.00 36.82 41.07 1rii h ILE 202 CO 0.03 0.83 0.22 0.58 -3.07 0.00 0.00 178.15 176.75 1rii h VAL 203 N 0.04 1.22 -0.45 2.19 2.07 -1.73 -1.06 116.25 118.53 1rii h VAL 203 Ca -0.03 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1rii h VAL 203 Cb 1.56 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1rii h VAL 203 CO 0.13 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1rii n GLY 204 N -0.96 1.51 3.70 2.17 0.00 -1.24 -4.91 105.19 105.45 1rii n GLY 204 Ca 0.05 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1rii n GLY 204 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rii s LEU 205 N -1.17 4.37 -0.05 0.99 2.96 -0.40 -4.96 118.68 120.41 1rii s LEU 205 Ca 0.33 2.60 -0.18 0.00 -0.22 0.00 0.00 54.13 56.65 1rii s LEU 205 Cb 0.19 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 1rii s LEU 205 CO 0.19 -0.88 0.51 0.20 -1.32 0.00 0.00 176.35 175.05 1rii s ASN 206 N 1.88 6.82 -0.17 3.68 0.01 -1.26 -5.03 114.94 120.86 1rii s ASN 206 Ca 0.73 0.97 -0.00 0.00 -0.71 0.00 0.00 52.86 53.85 1rii s ASN 206 Cb -0.43 -2.31 0.04 0.00 0.41 0.00 0.00 41.25 38.97 1rii s ASN 206 CO 0.32 0.10 -0.05 -0.63 -1.51 0.00 0.00 177.10 175.33 1rii s ILE 207 N 0.00 1.14 0.52 0.60 1.01 -1.26 -5.12 121.20 118.09 1rii s ILE 207 Ca 0.27 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 60.05 1rii s ILE 207 Cb -0.17 -1.32 -0.07 0.00 0.01 0.00 0.00 42.46 40.91 1rii s ILE 207 CO 0.13 0.10 1.09 -2.16 0.00 0.00 0.00 174.94 174.11 1rii s PRO 208 N 1.62 3.54 0.53 2.79 0.04 -1.26 -5.00 135.00 137.26 1rii s PRO 208 Ca 0.00 1.49 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 1rii s PRO 208 Cb -0.16 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1rii s PRO 208 CO -0.08 -0.67 1.03 0.95 0.04 0.00 0.00 177.00 178.27 1rii s THR 209 N -1.88 3.98 0.00 1.26 -4.23 -1.26 -4.22 115.64 109.28 1rii s THR 209 Ca 0.70 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 62.28 1rii s THR 209 Cb -0.20 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1rii s THR 209 CO 0.24 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1rii n GLY 210 N -0.78 0.29 3.25 3.99 0.00 0.04 -4.95 105.19 107.03 1rii n GLY 210 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1rii n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rii s ILE 211 N -1.76 3.48 0.57 -0.61 1.01 -1.26 -4.37 121.20 118.25 1rii s ILE 211 Ca 0.00 -1.06 -0.21 0.00 0.00 0.00 0.00 60.65 59.38 1rii s ILE 211 Cb 0.00 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1rii s ILE 211 CO 0.00 -0.03 1.32 -2.84 0.00 0.00 0.00 174.94 173.39 1rii s PRO 212 N 1.38 3.03 -0.18 2.79 0.02 -1.26 -4.73 135.00 136.05 1rii s PRO 212 Ca -0.01 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.15 1rii s PRO 212 Cb -0.18 -2.15 0.04 0.00 0.02 0.00 0.00 34.50 32.22 1rii s PRO 212 CO 0.01 -1.25 -0.10 -1.17 -0.33 0.00 0.00 177.00 174.16 1rii s LEU 213 N -3.72 1.97 -0.23 -5.54 0.20 -0.03 -0.25 118.68 111.08 1rii s LEU 213 Ca 0.74 -0.74 -0.09 0.00 0.69 0.00 0.00 54.13 54.73 1rii s LEU 213 Cb -0.38 -1.13 -0.04 0.00 -0.43 0.00 0.00 46.19 44.20 1rii s LEU 213 CO 0.44 -0.14 0.13 -0.60 -0.29 0.00 0.00 176.35 175.89 1rii s ARG 214 N 1.48 3.98 -0.30 1.98 3.52 0.18 0.03 118.95 129.82 1rii s ARG 214 Ca 0.01 -0.32 -0.04 0.00 -0.13 0.00 0.00 55.73 55.25 1rii s ARG 214 Cb -0.15 -3.44 0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1rii s ARG 214 CO -0.09 0.06 0.03 0.71 -0.81 0.00 0.00 175.30 175.21 1rii s TYR 215 N 1.03 3.21 -0.14 5.12 2.02 0.13 -0.50 117.35 128.22 1rii s TYR 215 Ca 0.06 -1.55 -0.22 0.00 -0.37 0.00 0.00 57.07 54.99 1rii s TYR 215 Cb -0.14 -2.17 -0.03 0.00 -0.40 0.00 0.00 41.96 39.22 1rii s TYR 215 CO 0.04 -0.74 0.66 -0.51 -1.57 0.00 0.00 175.55 173.43 1rii s ASP 216 N 1.35 6.83 0.23 2.29 1.01 -1.26 -2.08 116.67 125.03 1rii s ASP 216 Ca -0.02 1.00 0.11 0.00 0.71 0.00 0.00 52.55 54.35 1rii s ASP 216 Cb -0.19 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1rii s ASP 216 CO 0.00 -0.19 -0.21 -0.76 0.21 0.00 0.00 175.17 174.22 1rii s LEU 217 N 1.35 2.52 0.00 1.23 1.43 -1.26 0.88 118.68 124.83 1rii s LEU 217 Ca 0.33 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1rii s LEU 217 Cb -0.16 -1.08 0.06 0.00 0.03 0.00 0.00 46.19 45.04 1rii s LEU 217 CO 0.13 0.05 0.41 -0.90 0.23 0.00 0.00 176.35 176.28 1rii n ASP 218 N -0.19 0.63 -0.19 2.29 5.68 -0.46 -4.61 116.55 119.70 1rii n ASP 218 Ca -0.09 -1.51 0.14 0.00 -0.50 0.00 0.00 54.79 52.83 1rii n ASP 218 Cb 0.58 -0.26 0.46 0.00 -1.14 0.00 0.00 41.12 40.76 1rii n ASP 218 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1rii h SER 219 N -0.21 0.47 -0.09 -1.12 0.02 -1.99 0.22 113.55 110.86 1rii h SER 219 Ca -0.14 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1rii h SER 219 Cb 0.52 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1rii h SER 219 CO 0.15 0.25 0.00 0.00 -1.14 0.00 0.00 176.83 176.09 1rii n ALA 220 N -2.50 2.53 -2.57 3.77 0.00 -1.26 -4.87 120.51 115.61 1rii n ALA 220 Ca 0.15 -0.23 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 1rii n ALA 220 Cb 0.49 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.84 1rii n ALA 220 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1rii n MET 221 N -0.29 -2.56 -4.11 0.00 2.81 0.77 -4.99 117.12 108.75 1rii n MET 221 Ca 0.09 0.82 -0.35 0.00 -1.81 0.00 0.00 57.70 56.46 1rii n MET 221 Cb 0.13 -5.34 -0.09 0.00 -0.71 0.00 0.00 33.22 27.20 1rii n MET 221 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1rii s ARG 222 N -5.15 3.65 0.24 0.03 0.52 -1.26 -4.80 118.95 112.19 1rii s ARG 222 Ca 0.11 -0.35 -0.31 0.00 -0.52 0.00 0.00 55.73 54.66 1rii s ARG 222 Cb -0.05 -3.09 -0.13 0.00 0.52 0.00 0.00 34.95 32.20 1rii s ARG 222 CO 0.13 0.44 1.40 -2.30 0.02 0.00 0.00 175.30 174.99 1rii n PRO 223 N 3.00 2.01 0.10 3.54 -0.02 -1.26 -1.35 135.00 141.02 1rii n PRO 223 Ca -0.18 0.71 -0.05 0.00 -2.02 0.00 0.00 63.50 61.97 1rii n PRO 223 Cb 0.53 -2.37 0.06 0.00 -0.02 0.00 0.00 33.50 31.70 1rii n PRO 223 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1rii h LEU 224 N 4.20 0.09 -7.90 2.45 3.38 0.16 -3.42 115.31 114.28 1rii h LEU 224 Ca -0.45 -0.07 -0.66 0.00 0.09 0.00 0.00 57.88 56.79 1rii h LEU 224 Cb 1.28 -0.03 -0.37 0.00 0.09 0.00 0.00 40.66 41.63 1rii h LEU 224 CO 0.76 0.81 -0.82 -0.69 0.09 0.00 0.00 178.44 178.59 1rii s VAL 225 N -3.34 2.04 0.02 1.22 1.01 -1.26 -5.10 120.40 114.99 1rii s VAL 225 Ca -0.01 -1.35 -0.34 0.00 0.00 0.00 0.00 61.98 60.28 1rii s VAL 225 Cb 0.11 -2.07 -0.12 0.00 0.00 0.00 0.00 36.38 34.30 1rii s VAL 225 CO 0.79 0.14 1.78 -1.14 0.00 0.00 0.00 175.10 176.68 1rii n ARG 226 N 4.53 2.26 -0.83 2.72 0.63 -1.26 -1.24 116.66 123.46 1rii n ARG 226 Ca -0.16 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 1rii n ARG 226 Cb 0.45 -2.65 0.00 0.00 0.45 0.00 0.00 32.46 30.71 1rii n ARG 226 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rii n GLY 227 N 4.06 0.89 7.00 5.14 0.00 -1.26 -4.94 105.19 116.08 1rii n GLY 227 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1rii n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rii n GLY 228 N -2.07 -1.48 2.78 -0.02 0.00 -0.37 -4.85 105.19 99.18 1rii n GLY 228 Ca 0.00 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 1rii n GLY 228 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rii s THR 229 N 0.00 0.48 0.11 2.61 2.01 0.35 -4.95 115.64 116.25 1rii s THR 229 Ca 0.00 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 1rii s THR 229 Cb 0.00 -0.70 -0.07 0.00 0.01 0.00 0.00 72.50 71.74 1rii s THR 229 CO 0.00 0.16 1.21 -0.31 -0.69 0.00 0.00 174.62 175.00 1rii s TYR 230 N 1.92 3.42 -0.87 4.92 2.02 -1.26 -0.64 117.35 126.86 1rii s TYR 230 Ca 0.04 1.31 -0.23 0.00 -0.37 0.00 0.00 57.07 57.82 1rii s TYR 230 Cb -0.13 -3.44 0.06 0.00 -0.40 0.00 0.00 41.96 38.05 1rii s TYR 230 CO -0.06 -1.35 1.26 -0.51 -1.57 0.00 0.00 175.55 173.32 1rii s LEU 231 N 0.62 3.87 0.16 -1.29 1.43 0.66 -4.96 118.68 119.17 1rii s LEU 231 Ca 0.57 -1.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.20 1rii s LEU 231 Cb -0.31 -2.51 0.07 0.00 0.03 0.00 0.00 46.19 43.47 1rii s LEU 231 CO 0.32 -1.49 0.67 1.51 0.23 0.00 0.00 176.35 177.58 1rii s ASP 232 N 4.18 -0.48 0.00 2.29 1.47 -1.26 -4.41 116.67 118.46 1rii s ASP 232 Ca 0.37 -0.11 0.23 0.00 1.18 0.00 0.00 52.55 54.22 1rii s ASP 232 Cb -0.06 0.59 1.40 0.00 -0.34 0.00 0.00 42.92 44.51 1rii s ASP 232 CO -0.00 -0.98 1.77 -2.65 0.68 0.00 0.00 175.17 173.98