#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rii n ASN 3 N 0.00 0.62 -4.71 0.00 6.94 -1.26 -4.96 115.26 111.89 1rii n ASN 3 Ca 0.00 0.09 -0.42 0.00 -0.02 0.00 0.00 54.58 54.23 1rii n ASN 3 Cb 0.00 -0.22 -0.03 0.00 -2.36 0.00 0.00 39.78 37.17 1rii n ASN 3 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1rii s THR 4 N -2.14 4.20 0.84 5.53 2.01 -1.26 -3.01 115.64 121.81 1rii s THR 4 Ca -0.11 1.57 -0.11 0.00 0.31 0.00 0.00 61.69 63.35 1rii s THR 4 Cb 0.04 -4.01 0.10 0.00 0.01 0.00 0.00 72.50 68.64 1rii s THR 4 CO 0.13 0.09 1.09 -0.83 -0.69 0.00 0.00 174.62 174.42 1rii s GLY 5 N 1.16 1.64 0.25 4.40 0.00 0.50 -4.68 107.32 110.59 1rii s GLY 5 Ca 0.57 0.06 -0.24 0.00 0.00 0.00 0.00 44.72 45.11 1rii s GLY 5 CO 0.27 0.49 0.83 -0.56 0.00 0.00 0.00 173.10 174.14 1rii s SER 6 N -3.43 7.27 -0.21 1.64 0.01 -1.24 -4.32 113.70 113.43 1rii s SER 6 Ca 0.62 1.66 -0.07 0.00 1.31 0.00 0.00 55.95 59.47 1rii s SER 6 Cb -0.17 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 1rii s SER 6 CO 0.56 0.04 0.05 -0.22 0.41 0.00 0.00 173.24 174.09 1rii s LEU 7 N -1.78 3.59 -0.19 2.44 2.96 0.10 -0.64 118.68 125.15 1rii s LEU 7 Ca 0.44 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1rii s LEU 7 Cb -0.19 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1rii s LEU 7 CO 0.24 0.08 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.49 1rii s VAL 8 N 0.90 2.24 -0.06 1.68 1.01 0.36 0.41 120.40 126.94 1rii s VAL 8 Ca 0.03 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1rii s VAL 8 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1rii s VAL 8 CO 0.02 0.48 0.04 -0.76 0.00 0.00 0.00 175.10 174.89 1rii s LEU 9 N 1.30 3.77 -0.06 3.92 1.43 0.05 -0.76 118.68 128.33 1rii s LEU 9 Ca 0.04 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1rii s LEU 9 Cb -0.14 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1rii s LEU 9 CO -0.11 0.35 0.12 -0.22 0.23 0.00 0.00 176.35 176.71 1rii s LEU 10 N -1.20 0.37 -0.21 1.79 2.96 0.39 -0.40 118.68 122.38 1rii s LEU 10 Ca 0.17 0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 54.16 1rii s LEU 10 Cb -0.12 0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.70 1rii s LEU 10 CO 0.06 -0.20 0.34 -0.60 -1.32 0.00 0.00 176.35 174.64 1rii s ARG 11 N 1.77 4.15 0.87 1.98 3.52 -1.26 -0.67 118.95 129.31 1rii s ARG 11 Ca -0.02 0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.56 1rii s ARG 11 Cb -0.12 -3.54 0.12 0.00 -1.56 0.00 0.00 34.95 29.85 1rii s ARG 11 CO -0.05 -0.01 1.15 -2.39 -0.81 0.00 0.00 175.30 173.18 1rii n HIS 12 N 4.42 0.95 -0.58 5.12 1.44 -1.02 -0.79 115.22 124.77 1rii n HIS 12 Ca -0.10 0.40 0.00 0.00 -2.01 0.00 0.00 57.72 56.01 1rii n HIS 12 Cb 0.51 -2.04 0.00 0.00 0.12 0.00 0.00 29.99 28.59 1rii n HIS 12 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1rii n GLY 13 N 0.43 -0.08 3.69 -1.39 0.00 -1.26 -4.45 105.19 102.11 1rii n GLY 13 Ca 0.12 -1.74 -0.45 0.00 0.00 0.00 0.00 46.02 43.96 1rii n GLY 13 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rii n GLU 14 N -0.06 2.38 -3.23 1.61 2.13 -1.26 -4.89 120.64 117.32 1rii n GLU 14 Ca 0.00 0.86 -0.19 0.00 0.66 0.00 0.00 57.16 58.49 1rii n GLU 14 Cb 0.00 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.05 1rii n GLU 14 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1rii s SER 15 N 1.36 5.82 0.43 4.31 1.04 -1.26 -1.12 113.70 124.29 1rii s SER 15 Ca 0.79 -0.18 0.12 0.00 0.48 0.00 0.00 55.95 57.15 1rii s SER 15 Cb -0.61 -1.08 0.96 0.00 0.10 0.00 0.00 66.02 65.38 1rii s SER 15 CO 0.37 -0.61 2.00 0.44 0.98 0.00 0.00 173.24 176.43 1rii h ASP 16 N 0.71 0.14 1.53 7.02 3.32 -1.28 -1.15 116.42 126.70 1rii h ASP 16 Ca -0.44 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 1rii h ASP 16 Cb 1.27 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1rii h ASP 16 CO 0.51 0.24 -0.48 -0.50 -1.72 0.00 0.00 179.24 177.29 1rii h TRP 17 N 0.15 0.00 -0.70 4.55 4.06 -1.92 -2.91 115.95 119.18 1rii h TRP 17 Ca 0.03 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.94 1rii h TRP 17 Cb 0.23 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.36 1rii h TRP 17 CO 0.00 0.21 0.26 -0.91 -3.56 0.00 0.00 178.44 174.45 1rii h ASN 18 N 0.00 0.97 -0.28 -3.49 -0.26 -1.49 -0.40 115.58 110.63 1rii h ASN 18 Ca -0.02 -0.15 -0.06 0.00 -0.56 0.00 0.00 56.30 55.51 1rii h ASN 18 Cb 1.18 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 38.17 1rii h ASN 18 CO 0.02 0.87 -0.00 0.00 -1.06 0.00 0.00 177.43 177.27 1rii h ALA 19 N 1.26 1.28 -0.11 -0.83 0.00 -1.32 -2.21 119.26 117.33 1rii h ALA 19 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rii h ALA 19 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rii h ALA 19 CO -0.02 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.00 1rii n LEU 20 N -4.25 1.39 -3.89 0.00 4.77 -0.92 -4.93 117.00 109.17 1rii n LEU 20 Ca 0.02 -0.55 -0.25 0.00 -0.03 0.00 0.00 56.01 55.20 1rii n LEU 20 Cb 0.26 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1rii n LEU 20 CO 0.40 0.28 -0.14 0.59 -1.33 0.00 0.00 177.39 177.18 1rii n ASN 21 N 0.12 -1.13 -4.80 -1.43 3.02 -0.48 -4.96 115.26 105.59 1rii n ASN 21 Ca 0.17 -0.93 -0.35 0.00 -0.03 0.00 0.00 54.58 53.44 1rii n ASN 21 Cb 0.30 -3.43 -0.07 0.00 -0.61 0.00 0.00 39.78 35.97 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 -6.92 4.04 0.04 3.41 1.43 -0.28 -4.38 118.68 116.02 1rii s LEU 22 Ca 0.10 0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.18 1rii s LEU 22 Cb -0.05 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.99 1rii s LEU 22 CO 0.86 0.35 1.51 -0.36 0.23 0.00 0.00 176.35 178.94 1rii s PHE 23 N -1.06 2.70 -0.11 0.29 0.08 0.11 -4.62 117.98 115.37 1rii s PHE 23 Ca 0.18 0.61 -0.10 0.00 0.12 0.00 0.00 56.93 57.74 1rii s PHE 23 Cb -0.12 -3.79 -0.05 0.00 -0.57 0.00 0.00 43.02 38.49 1rii s PHE 23 CO 0.08 -3.05 -0.22 2.41 -0.10 0.00 0.00 175.22 174.33 1rii n THR 24 N 4.64 1.25 0.00 0.64 -1.04 -1.26 -0.85 114.28 117.66 1rii n THR 24 Ca 0.14 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1rii n THR 24 Cb 0.42 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 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 2.11 3.44 0.26 3.41 0.00 -1.26 -1.76 105.19 111.37 1rii n GLY 25 Ca -0.18 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 13.68 0.00 -1.79 1.61 7.02 -1.26 -4.73 117.44 131.96 1rii n TRP 26 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1rii n TRP 26 Cb 0.00 -0.05 -0.03 0.00 -2.42 0.00 0.00 31.31 28.81 1rii n TRP 26 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1rii s VAL 27 N -2.13 2.30 -1.26 -0.99 1.01 -0.73 -4.86 120.40 113.73 1rii s VAL 27 Ca 0.38 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 1rii s VAL 27 Cb 0.21 -3.10 0.17 0.00 0.00 0.00 0.00 36.38 33.66 1rii s VAL 27 CO 0.39 0.01 2.17 -0.67 0.00 0.00 0.00 175.10 177.00 1rii n ASP 28 N 4.28 7.38 -4.87 3.32 2.03 -1.26 -4.98 116.55 122.44 1rii n ASP 28 Ca 0.16 -3.23 -0.31 0.00 0.52 0.00 0.00 54.79 51.93 1rii n ASP 28 Cb 0.37 -1.35 -0.01 0.00 -0.72 0.00 0.00 41.12 39.41 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 -1.47 4.71 0.28 5.18 0.11 -1.26 -4.77 120.40 123.18 1rii s VAL 29 Ca 0.48 0.82 0.04 0.00 -2.93 0.00 0.00 61.98 60.38 1rii s VAL 29 Cb 0.16 -3.82 0.05 0.00 -1.53 0.00 0.00 36.38 31.25 1rii s VAL 29 CO -0.07 -0.91 0.39 0.61 -3.33 0.00 0.00 175.10 171.79 1rii n GLY 30 N -2.20 1.73 3.81 6.54 0.00 -1.26 -3.54 105.19 110.28 1rii n GLY 30 Ca 0.05 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 1rii n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rii s LEU 31 N 0.00 4.42 0.84 0.99 1.02 -1.26 -0.88 118.68 123.80 1rii s LEU 31 Ca 0.29 1.39 -0.12 0.00 0.02 0.00 0.00 54.13 55.71 1rii s LEU 31 Cb -0.02 -3.38 0.12 0.00 0.02 0.00 0.00 46.19 42.93 1rii s LEU 31 CO 0.19 0.11 1.20 0.42 0.02 0.00 0.00 176.35 178.28 1rii s THR 32 N -1.38 2.05 0.24 5.49 -4.23 -0.27 -4.67 115.64 112.87 1rii s THR 32 Ca 0.39 -0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.76 1rii s THR 32 Cb -0.18 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 70.92 1rii s THR 32 CO 0.21 0.00 1.89 0.44 -0.54 0.00 0.00 174.62 176.62 1rii h ASP 33 N -1.17 1.15 -0.70 3.99 3.32 -1.98 0.44 116.42 121.46 1rii h ASP 33 Ca -0.45 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 56.54 1rii h ASP 33 Cb 1.29 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 1rii h ASP 33 CO 0.54 0.88 0.46 0.50 -1.72 0.00 0.00 179.24 179.90 1rii h LYS 34 N 1.32 0.92 -0.74 3.56 3.64 -1.93 -2.41 116.57 120.92 1rii h LYS 34 Ca 0.34 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1rii h LYS 34 Cb -0.06 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.52 1rii h LYS 34 CO -0.06 0.61 0.36 0.78 -2.27 0.00 0.00 179.45 178.86 1rii h GLY 35 N 0.94 1.14 0.97 5.01 0.00 -1.31 -2.25 103.07 107.58 1rii h GLY 35 Ca 0.25 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1rii h GLY 35 CO -0.05 0.54 0.01 1.46 0.00 0.00 0.00 176.54 178.49 1rii h GLN 36 N 1.04 0.78 -0.38 4.80 4.20 -0.76 -2.32 115.11 122.46 1rii h GLN 36 Ca 0.25 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1rii h GLN 36 Cb 0.12 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1rii h GLN 36 CO -0.03 0.84 0.22 0.00 -0.67 0.00 0.00 178.83 179.18 1rii h ALA 37 N 0.91 1.66 -0.56 3.87 0.00 -1.32 0.90 119.26 124.73 1rii h ALA 37 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1rii h ALA 37 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1rii h ALA 37 CO 0.02 0.29 0.17 1.49 0.00 0.00 0.00 179.25 181.22 1rii h GLU 38 N 0.53 0.88 0.14 0.00 4.81 -1.07 -1.60 114.58 118.26 1rii h GLU 38 Ca 0.14 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1rii h GLU 38 Cb 0.00 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1rii h GLU 38 CO -0.02 0.80 -0.08 0.00 -0.73 0.00 0.00 179.01 178.98 1rii h ALA 39 N 1.04 -0.20 -0.65 2.92 0.00 -0.59 -0.54 119.26 121.24 1rii h ALA 39 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1rii h ALA 39 Cb 0.30 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1rii h ALA 39 CO -0.00 -0.61 0.43 0.28 0.00 0.00 0.00 179.25 179.34 1rii h VAL 40 N -0.20 1.16 -0.72 0.00 2.07 -0.74 -2.02 116.25 115.79 1rii h VAL 40 Ca -0.01 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1rii h VAL 40 Cb 0.16 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1rii h VAL 40 CO 0.02 0.16 0.27 0.03 0.02 0.00 0.00 177.57 178.07 1rii h ARG 41 N 0.87 1.07 -0.85 1.57 2.47 -1.11 -2.60 114.38 115.80 1rii h ARG 41 Ca 0.24 -0.19 0.08 0.00 -1.26 0.00 0.00 59.98 58.85 1rii h ARG 41 Cb -0.09 -0.17 -0.07 0.00 -1.65 0.00 0.00 29.97 27.99 1rii h ARG 41 CO -0.06 0.88 0.51 0.66 0.56 0.00 0.00 179.97 182.52 1rii h SER 42 N 1.05 0.76 -0.85 7.04 4.64 -0.37 -0.83 113.55 124.98 1rii h SER 42 Ca 0.24 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1rii h SER 42 Cb 0.22 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 1rii h SER 42 CO -0.02 0.46 0.50 1.23 -0.87 0.00 0.00 176.83 178.12 1rii h GLY 43 N 0.88 1.25 1.00 -0.77 0.00 -1.11 -0.89 103.07 103.43 1rii h GLY 43 Ca 0.40 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1rii h GLY 43 CO -0.22 0.52 0.21 0.83 0.00 0.00 0.00 176.54 177.89 1rii h GLU 44 N 1.18 0.90 -0.82 4.80 5.08 -0.94 -2.03 114.58 122.74 1rii h GLU 44 Ca 0.30 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1rii h GLU 44 Cb -0.02 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1rii h GLU 44 CO -0.05 0.79 0.52 -0.07 -1.00 0.00 0.00 179.01 179.19 1rii h LEU 45 N 0.82 0.85 -0.63 1.33 3.38 -0.83 0.67 115.31 120.91 1rii h LEU 45 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1rii h LEU 45 Cb 0.24 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1rii h LEU 45 CO -0.01 0.58 0.37 0.40 0.09 0.00 0.00 178.44 179.87 1rii h ILE 46 N 1.00 1.19 -0.27 1.22 2.04 -0.73 -2.37 117.51 119.60 1rii h ILE 46 Ca 0.33 -0.42 -0.16 0.00 1.00 0.00 0.00 64.86 65.61 1rii h ILE 46 Cb 0.05 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1rii h ILE 46 CO -0.13 0.19 -0.49 0.00 0.00 0.00 0.00 178.15 177.73 1rii h ALA 47 N 1.19 0.63 0.00 1.87 0.00 -0.78 -2.32 119.26 119.85 1rii h ALA 47 Ca 0.22 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1rii h ALA 47 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1rii h ALA 47 CO -0.04 0.68 -0.06 0.93 0.00 0.00 0.00 179.25 180.75 1rii h GLU 48 N 0.58 0.00 -0.56 0.00 3.07 -0.57 -1.49 114.58 115.61 1rii h GLU 48 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1rii h GLU 48 Cb 1.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1rii h GLU 48 CO 0.10 0.06 0.00 0.72 -1.40 0.00 0.00 179.01 178.49 1rii n HIS 49 N -3.61 1.44 -3.51 4.33 8.25 -0.92 -4.97 115.22 116.23 1rii n HIS 49 Ca -0.02 -0.66 -0.20 0.00 -0.26 0.00 0.00 57.72 56.58 1rii n HIS 49 Cb 0.17 -0.28 0.08 0.00 1.12 0.00 0.00 29.99 31.08 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 0.77 -3.16 -2.16 0.41 10.43 -0.56 -4.92 116.55 117.36 1rii n ASP 50 Ca 0.24 -0.62 -0.25 0.00 2.57 0.00 0.00 54.79 56.73 1rii n ASP 50 Cb 0.91 -4.98 0.01 0.00 1.84 0.00 0.00 41.12 38.90 1rii n ASP 50 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1rii n LEU 51 N -4.38 4.89 -4.60 0.64 4.77 -0.90 -5.06 117.00 112.36 1rii n LEU 51 Ca -0.20 -4.89 -0.49 0.00 -0.03 0.00 0.00 56.01 50.40 1rii n LEU 51 Cb 0.64 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1rii n LEU 51 CO 0.63 2.14 1.64 0.18 -1.33 0.00 0.00 177.39 180.65 1rii n LEU 52 N -0.64 2.95 -4.77 2.23 4.32 -1.26 -4.90 117.00 114.93 1rii n LEU 52 Ca 0.43 0.68 -0.36 0.00 -0.02 0.00 0.00 56.01 56.73 1rii n LEU 52 Cb 0.87 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.32 1rii n LEU 52 CO 0.38 -0.39 0.83 -2.84 -1.22 0.00 0.00 177.39 174.15 1rii s PRO 53 N 5.10 3.51 -0.16 3.23 0.02 -1.26 -4.73 135.00 140.71 1rii s PRO 53 Ca 1.00 1.78 0.17 0.00 0.02 0.00 0.00 61.00 63.96 1rii s PRO 53 Cb -0.71 -2.23 -0.25 0.00 0.02 0.00 0.00 34.50 31.33 1rii s PRO 53 CO 0.49 -0.76 0.21 -0.25 -0.33 0.00 0.00 177.00 176.37 1rii n ASP 54 N -0.88 0.19 -3.81 2.53 8.00 -0.12 -4.97 116.55 117.50 1rii n ASP 54 Ca 0.09 0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 1rii n ASP 54 Cb 0.49 0.80 -0.09 0.00 -0.02 0.00 0.00 41.12 42.30 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 -2.55 0.07 -0.08 2.53 0.11 -1.21 -4.11 120.40 115.17 1rii s VAL 55 Ca -0.09 -0.59 0.04 0.00 -2.93 0.00 0.00 61.98 58.41 1rii s VAL 55 Cb 0.07 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1rii s VAL 55 CO 0.83 -0.33 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.85 1rii s LEU 56 N -1.40 2.34 -0.11 2.54 2.96 -0.16 -1.68 118.68 123.18 1rii s LEU 56 Ca -0.14 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1rii s LEU 56 Cb -0.06 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.17 1rii s LEU 56 CO 0.03 0.24 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.75 1rii s TYR 57 N -0.12 2.56 0.35 5.38 2.02 0.22 -0.91 117.35 126.86 1rii s TYR 57 Ca -0.04 -1.09 0.04 0.00 -0.37 0.00 0.00 57.07 55.61 1rii s TYR 57 Cb -0.14 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1rii s TYR 57 CO 0.04 -0.45 0.14 0.95 -1.57 0.00 0.00 175.55 174.66 1rii s THR 58 N 0.43 0.51 0.04 -0.71 -4.23 -0.83 -1.14 115.64 109.70 1rii s THR 58 Ca -0.17 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.34 1rii s THR 58 Cb -0.18 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.19 1rii s THR 58 CO 0.07 0.00 0.05 -1.54 -0.54 0.00 0.00 174.62 172.66 1rii n SER 59 N -1.08 0.02 -1.03 3.99 3.41 -1.24 -2.12 113.62 115.57 1rii n SER 59 Ca -0.02 -1.03 0.09 0.00 -0.26 0.00 0.00 58.87 57.66 1rii n SER 59 Cb 0.65 -0.04 0.25 0.00 -0.26 0.00 0.00 64.21 64.81 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 2.98 -4.71 1.04 4.77 -1.24 -4.42 117.00 115.41 1rii n LEU 60 Ca 0.01 -1.48 -0.36 0.00 -0.03 0.00 0.00 56.01 54.15 1rii n LEU 60 Cb 0.02 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.67 1rii n LEU 60 CO 0.02 0.74 -0.12 -0.76 -1.33 0.00 0.00 177.39 175.94 1rii s LEU 61 N -1.04 4.20 0.53 2.23 1.43 -1.26 -4.98 118.68 119.79 1rii s LEU 61 Ca 0.37 0.29 0.22 0.00 -1.03 0.00 0.00 54.13 53.99 1rii s LEU 61 Cb 0.20 -2.19 1.38 0.00 0.03 0.00 0.00 46.19 45.60 1rii s LEU 61 CO 0.26 0.12 2.08 0.08 0.23 0.00 0.00 176.35 179.11 1rii h ARG 62 N 6.88 0.00 -0.03 1.70 0.11 -1.86 -1.60 114.38 119.59 1rii h ARG 62 Ca -0.40 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.62 1rii h ARG 62 Cb 1.16 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 1rii h ARG 62 CO 0.74 0.00 -0.25 0.07 0.10 0.00 0.00 179.97 180.63 1rii h ARG 63 N 0.00 0.05 0.02 0.08 0.11 -1.91 0.10 114.38 112.83 1rii h ARG 63 Ca 0.12 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.16 1rii h ARG 63 Cb 0.52 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1rii h ARG 63 CO -0.00 0.30 -0.12 0.00 0.10 0.00 0.00 179.97 180.25 1rii h ALA 64 N 1.70 -0.01 -0.52 0.08 0.00 -1.64 -2.83 119.26 116.05 1rii h ALA 64 Ca 0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1rii h ALA 64 Cb 0.47 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1rii h ALA 64 CO 0.03 0.04 0.28 0.82 0.00 0.00 0.00 179.25 180.42 1rii h ILE 65 N -0.85 1.18 -0.42 0.00 2.04 -1.10 0.29 117.51 118.64 1rii h ILE 65 Ca -0.02 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 1rii h ILE 65 Cb 1.05 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1rii h ILE 65 CO 0.02 0.19 -0.15 0.74 0.00 0.00 0.00 178.15 178.95 1rii h THR 66 N 0.69 1.26 -0.38 -0.27 2.02 -0.95 -0.18 112.91 115.10 1rii h THR 66 Ca 0.18 -1.23 0.04 0.00 0.77 0.00 0.00 66.41 66.17 1rii h THR 66 Cb 0.05 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1rii h THR 66 CO -0.03 0.42 0.14 0.74 0.37 0.00 0.00 175.52 177.16 1rii h THR 67 N 0.70 0.90 -0.51 3.16 2.02 -1.16 -1.45 112.91 116.56 1rii h THR 67 Ca 0.11 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.20 1rii h THR 67 Cb 0.65 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1rii h THR 67 CO 0.05 0.05 0.33 0.00 0.37 0.00 0.00 175.52 176.32 1rii h ALA 68 N 1.24 0.65 -0.39 6.16 0.00 -0.54 -0.65 119.26 125.73 1rii h ALA 68 Ca 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1rii h ALA 68 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1rii h ALA 68 CO -0.17 0.07 0.24 1.25 0.00 0.00 0.00 179.25 180.64 1rii h HIS 69 N 0.67 0.45 -0.55 0.00 6.17 -0.67 0.18 115.15 121.40 1rii h HIS 69 Ca 0.19 0.01 -0.11 0.00 0.71 0.00 0.00 60.37 61.17 1rii h HIS 69 Cb -0.05 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 29.72 1rii h HIS 69 CO -0.05 0.27 -0.11 -0.07 0.71 0.00 0.00 177.93 178.68 1rii h LEU 70 N 0.49 1.04 0.12 0.26 3.38 -1.02 -0.88 115.31 118.70 1rii h LEU 70 Ca 0.15 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1rii h LEU 70 Cb -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1rii h LEU 70 CO -0.06 1.15 -0.06 0.00 0.09 0.00 0.00 178.44 179.56 1rii h ALA 71 N 0.93 -0.17 -0.14 1.53 0.00 -0.95 -1.68 119.26 118.78 1rii h ALA 71 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1rii h ALA 71 Cb 0.68 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1rii h ALA 71 CO 0.05 -0.53 -0.12 -0.07 0.00 0.00 0.00 179.25 178.59 1rii h LEU 72 N -0.30 0.20 0.03 0.00 3.38 -0.90 -1.12 115.31 116.60 1rii h LEU 72 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rii h LEU 72 Cb 0.24 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1rii h LEU 72 CO 0.03 0.35 -0.04 -0.78 0.09 0.00 0.00 178.44 178.08 1rii h ASP 73 N 0.21 -0.12 -0.40 -0.43 1.82 -0.97 0.17 116.42 116.70 1rii h ASP 73 Ca 0.04 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.66 1rii h ASP 73 Cb 0.34 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 1rii h ASP 73 CO 0.02 -0.07 0.12 0.28 -1.61 0.00 0.00 179.24 177.98 1rii h SER 74 N -0.09 0.64 0.05 2.28 0.02 -0.81 -2.22 113.55 113.43 1rii h SER 74 Ca 0.01 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1rii h SER 74 Cb 0.10 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1rii h SER 74 CO -0.03 0.64 -0.01 0.00 -1.14 0.00 0.00 176.83 176.29 1rii n ALA 75 N -2.47 2.66 -3.73 3.77 0.00 -0.47 -4.63 120.51 115.65 1rii n ALA 75 Ca 0.03 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.96 1rii n ALA 75 Cb 0.20 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.62 -1.65 -1.53 0.00 2.03 -0.10 -4.92 116.55 109.76 1rii n ASP 76 Ca 0.21 -0.87 0.02 0.00 0.52 0.00 0.00 54.79 54.67 1rii n ASP 76 Cb 0.21 -3.85 0.07 0.00 -0.72 0.00 0.00 41.12 36.83 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 -4.24 0.83 0.28 -0.67 5.12 0.39 -4.87 116.66 113.49 1rii n ARG 77 Ca -0.27 -2.64 0.18 0.00 -1.93 0.00 0.00 57.85 53.18 1rii n ARG 77 Cb 0.67 -0.74 0.95 0.00 -1.16 0.00 0.00 32.46 32.18 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 1.31 0.00 -0.45 0.55 5.85 -1.89 -2.87 115.31 117.81 1rii h LEU 78 Ca -0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1rii h LEU 78 Cb 1.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1rii h LEU 78 CO 0.13 0.00 -0.15 -2.67 -0.34 0.00 0.00 178.44 175.41 1rii n TRP 79 N -3.46 0.00 -1.87 1.25 4.27 -1.26 -4.92 117.44 111.45 1rii n TRP 79 Ca -0.01 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.29 1rii n TRP 79 Cb 0.24 -0.12 0.02 0.00 -1.36 0.00 0.00 31.31 30.09 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 -2.38 4.25 0.60 -1.67 -4.36 -1.09 -4.98 121.20 111.57 1rii s ILE 80 Ca 0.29 0.84 -0.19 0.00 -0.26 0.00 0.00 60.65 61.34 1rii s ILE 80 Cb 0.20 -3.57 -0.03 0.00 1.25 0.00 0.00 42.46 40.31 1rii s ILE 80 CO 0.46 -0.84 1.22 -2.84 0.24 0.00 0.00 174.94 173.19 1rii s PRO 81 N -4.74 2.90 0.01 0.37 0.02 -1.26 -4.83 135.00 127.47 1rii s PRO 81 Ca 0.58 1.87 0.01 0.00 0.02 0.00 0.00 61.00 63.49 1rii s PRO 81 Cb -0.13 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 1rii s PRO 81 CO 0.48 -1.27 -0.04 0.54 -0.33 0.00 0.00 177.00 176.37 1rii s VAL 82 N -1.55 0.30 -0.01 3.83 0.11 -1.26 -0.99 120.40 120.84 1rii s VAL 82 Ca 0.78 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 59.34 1rii s VAL 82 Cb -0.32 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.20 1rii s VAL 82 CO 0.34 -0.14 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.77 1rii s ARG 83 N -0.70 0.55 0.05 1.54 1.81 -0.09 -4.98 118.95 117.14 1rii s ARG 83 Ca -0.05 -0.24 0.06 0.00 -1.72 0.00 0.00 55.73 53.78 1rii s ARG 83 Cb -0.05 -0.53 -0.02 0.00 -0.45 0.00 0.00 34.95 33.89 1rii s ARG 83 CO -0.00 0.15 -0.17 1.03 -0.68 0.00 0.00 175.30 175.62 1rii s ARG 84 N -0.16 1.12 -0.16 3.54 0.52 -1.26 -1.97 118.95 120.58 1rii s ARG 84 Ca 0.03 -0.89 -0.15 0.00 -0.52 0.00 0.00 55.73 54.20 1rii s ARG 84 Cb -0.03 -1.20 0.04 0.00 0.52 0.00 0.00 34.95 34.28 1rii s ARG 84 CO -0.00 0.30 0.43 0.45 0.02 0.00 0.00 175.30 176.50 1rii s SER 85 N -1.28 -0.45 0.59 0.23 0.15 -0.90 -4.98 113.70 107.06 1rii s SER 85 Ca 0.04 0.85 0.29 0.00 0.70 0.00 0.00 55.95 57.83 1rii s SER 85 Cb -0.09 0.87 1.66 0.00 -1.71 0.00 0.00 66.02 66.75 1rii s SER 85 CO 0.02 -0.16 2.10 4.11 1.20 0.00 0.00 173.24 180.50 1rii h TRP 86 N 5.39 0.00 0.00 3.44 5.08 -1.90 -1.88 115.95 126.08 1rii h TRP 86 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.70 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 0.40 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.10 1rii n ARG 87 N -3.79 0.09 -0.08 0.12 1.74 -1.26 -0.65 116.66 112.83 1rii n ARG 87 Ca 0.02 0.36 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 1rii n ARG 87 Cb 0.33 -1.69 0.25 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.86 2.74 -4.71 0.55 4.32 -0.71 -4.30 117.00 113.03 1rii n LEU 88 Ca 0.02 -1.06 -0.33 0.00 -0.02 0.00 0.00 56.01 54.62 1rii n LEU 88 Cb 0.18 -0.11 0.11 0.00 -1.62 0.00 0.00 43.42 41.98 1rii n LEU 88 CO 0.15 0.53 0.76 0.20 -1.22 0.00 0.00 177.39 177.81 1rii s ASN 89 N -1.74 3.85 0.88 -1.43 -0.87 0.18 -4.47 114.94 111.33 1rii s ASN 89 Ca 0.34 2.29 -0.13 0.00 -1.57 0.00 0.00 52.86 53.80 1rii s ASN 89 Cb 0.21 -2.58 0.06 0.00 -0.02 0.00 0.00 41.25 38.92 1rii s ASN 89 CO 0.30 -2.49 0.77 1.21 -2.57 0.00 0.00 177.10 174.32 1rii n GLU 90 N -3.18 -0.15 -1.66 -0.60 4.07 -1.26 -4.38 120.64 113.47 1rii n GLU 90 Ca 0.13 0.01 -0.44 0.00 -0.06 0.00 0.00 57.16 56.80 1rii n GLU 90 Cb 0.51 -2.10 -0.02 0.00 -0.06 0.00 0.00 31.44 29.77 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 -2.52 1.90 -2.30 5.31 0.63 -1.26 -4.72 116.66 113.70 1rii n ARG 91 Ca 0.10 0.67 -0.42 0.00 -0.92 0.00 0.00 57.85 57.28 1rii n ARG 91 Cb 0.52 -2.25 -0.03 0.00 0.45 0.00 0.00 32.46 31.15 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 -0.60 3.30 -0.55 -0.14 5.65 -1.26 -4.26 115.29 117.43 1rii s HIS 92 Ca 0.62 1.11 0.13 0.00 0.25 0.00 0.00 55.06 57.18 1rii s HIS 92 Cb -0.64 -3.55 0.71 0.00 -1.18 0.00 0.00 32.58 27.92 1rii s HIS 92 CO 0.56 -1.85 1.59 0.66 -0.65 0.00 0.00 174.74 175.05 1rii n TYR 93 N 4.08 1.73 -0.67 3.88 4.02 -1.26 -1.28 117.16 127.66 1rii n TYR 93 Ca 0.10 -0.62 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 1rii n TYR 93 Cb 0.44 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 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 0.69 2.45 0.22 2.72 0.00 -1.26 -1.80 105.19 108.21 1rii n GLY 94 Ca 0.24 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.27 1rii n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rii h ALA 95 N -0.32 1.00 0.00 4.61 0.00 -1.24 -1.53 119.26 121.77 1rii h ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rii h ALA 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rii h ALA 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1rii n LEU 96 N -2.56 0.77 -4.66 0.00 4.32 -0.74 -4.78 117.00 109.35 1rii n LEU 96 Ca -0.01 0.61 -0.42 0.00 -0.02 0.00 0.00 56.01 56.17 1rii n LEU 96 Cb 0.09 -0.41 -0.03 0.00 -1.62 0.00 0.00 43.42 41.45 1rii n LEU 96 CO 0.15 -0.32 1.50 -1.10 -1.22 0.00 0.00 177.39 176.41 1rii s GLN 97 N -3.18 4.16 0.00 3.23 -0.21 -0.58 -0.87 119.66 122.21 1rii s GLN 97 Ca 0.08 2.45 0.00 0.00 0.02 0.00 0.00 55.36 57.91 1rii s GLN 97 Cb 0.11 -4.06 0.00 0.00 1.00 0.00 0.00 33.01 30.06 1rii s GLN 97 CO 0.53 -0.90 0.00 0.41 -2.12 0.00 0.00 175.29 173.20 1rii n GLY 98 N 4.36 0.70 3.82 3.09 0.00 -0.03 -4.80 105.19 112.34 1rii n GLY 98 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 3.98 0.66 0.99 1.02 -0.05 -4.86 118.68 120.42 1rii s LEU 99 Ca 0.00 0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.28 1rii s LEU 99 Cb 0.00 -2.57 0.10 0.00 0.02 0.00 0.00 46.19 43.74 1rii s LEU 99 CO 0.00 0.19 0.91 1.51 0.02 0.00 0.00 176.35 178.98 1rii s ASP 100 N -2.29 4.67 0.14 2.29 -4.77 -1.26 -0.71 116.67 114.74 1rii s ASP 100 Ca 0.30 -0.45 -0.15 0.00 -3.30 0.00 0.00 52.55 48.95 1rii s ASP 100 Cb -0.12 -0.05 0.00 0.00 -1.09 0.00 0.00 42.92 41.66 1rii s ASP 100 CO 0.22 -1.63 1.65 0.50 0.70 0.00 0.00 175.17 176.61 1rii h LYS 101 N -0.26 0.68 0.50 2.11 3.64 -1.97 0.87 116.57 122.15 1rii h LYS 101 Ca -0.35 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 1rii h LYS 101 Cb 1.28 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1rii h LYS 101 CO 0.42 0.67 -0.24 0.00 -2.27 0.00 0.00 179.45 178.03 1rii h ALA 102 N 0.98 -0.67 0.00 5.00 0.00 -1.95 0.30 119.26 122.91 1rii h ALA 102 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rii h ALA 102 Cb 0.29 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1rii h ALA 102 CO -0.00 -0.84 0.00 1.49 0.00 0.00 0.00 179.25 179.90 1rii h GLU 103 N -0.75 0.00 -0.00 0.00 4.57 -1.92 -1.10 114.58 115.38 1rii h GLU 103 Ca -0.07 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1rii h GLU 103 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1rii h GLU 103 CO 0.11 0.00 -0.12 1.15 -1.18 0.00 0.00 179.01 178.97 1rii h THR 104 N 0.00 1.59 0.00 0.32 2.02 -0.22 -2.99 112.91 113.63 1rii h THR 104 Ca 0.00 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.28 1rii h THR 104 Cb 0.36 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.60 1rii h THR 104 CO 0.00 0.51 -0.03 0.11 0.37 0.00 0.00 175.52 176.47 1rii h LYS 105 N -0.64 0.00 0.06 6.66 1.57 0.23 -1.43 116.57 123.02 1rii h LYS 105 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1rii h LYS 105 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1rii h LYS 105 CO 0.02 0.03 -0.03 0.00 -0.57 0.00 0.00 179.45 178.91 1rii h ALA 106 N 1.97 -0.08 -0.01 3.86 0.00 -1.25 0.01 119.26 123.75 1rii h ALA 106 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rii h ALA 106 Cb 0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rii h ALA 106 CO 0.00 -0.33 -0.45 2.89 0.00 0.00 0.00 179.25 181.37 1rii n ARG 107 N -4.92 0.60 0.00 0.00 1.85 -1.04 -4.43 116.66 108.72 1rii n ARG 107 Ca -0.08 -0.41 0.00 0.00 -1.00 0.00 0.00 57.85 56.36 1rii n ARG 107 Cb 0.24 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.16 1rii n ARG 107 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1rii n TYR 108 N -0.85 0.00 0.00 2.89 4.01 -0.56 -5.12 117.16 117.53 1rii n TYR 108 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1rii n TYR 108 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.55 -0.48 0.23 2.72 0.00 -0.01 -4.64 105.19 104.55 1rii n GLY 109 Ca 0.00 -1.62 -0.07 0.00 0.00 0.00 0.00 46.02 44.33 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 0.58 -0.64 1.61 3.07 -1.93 -3.02 114.58 114.25 1rii h GLU 110 Ca 0.00 -0.29 0.06 0.00 -0.50 0.00 0.00 59.36 58.63 1rii h GLU 110 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.86 1rii h GLU 110 CO 0.00 0.88 0.33 1.49 -1.40 0.00 0.00 179.01 180.31 1rii h GLU 111 N 0.48 0.59 0.00 2.33 4.81 -1.96 -2.80 114.58 118.02 1rii h GLU 111 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1rii h GLU 111 Cb 0.89 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1rii h GLU 111 CO 0.08 0.39 -1.27 1.04 -0.73 0.00 0.00 179.01 178.52 1rii n GLN 112 N -4.84 0.20 -0.32 1.92 1.13 -1.25 -3.48 117.38 110.75 1rii n GLN 112 Ca 0.08 -0.06 0.05 0.00 -1.94 0.00 0.00 57.00 55.14 1rii n GLN 112 Cb 0.19 -1.51 0.21 0.00 0.11 0.00 0.00 30.24 29.23 1rii n GLN 112 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1rii h PHE 113 N 0.00 0.93 -0.17 1.08 3.57 -1.36 0.85 116.94 121.84 1rii h PHE 113 Ca 0.00 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 1rii h PHE 113 Cb 0.66 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1rii h PHE 113 CO 0.00 0.34 -0.39 0.52 -2.23 0.00 0.00 178.31 176.55 1rii h MET 114 N 0.82 0.57 0.06 1.11 2.86 -1.65 -1.86 114.93 116.83 1rii h MET 114 Ca 0.45 -0.38 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1rii h MET 114 Cb 0.48 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 1rii h MET 114 CO -0.28 1.00 -0.52 0.00 1.06 0.00 0.00 176.91 178.16 1rii h ALA 115 N 0.57 -0.97 0.00 6.32 0.00 -1.25 -0.04 119.26 123.90 1rii h ALA 115 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rii h ALA 115 Cb 1.00 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1rii h ALA 115 CO 0.09 -1.11 0.00 -1.49 0.00 0.00 0.00 179.25 176.74 1rii h TRP 116 N -0.70 0.00 0.60 0.00 6.55 0.64 0.54 115.95 123.59 1rii h TRP 116 Ca 0.00 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.81 1rii h TRP 116 Cb 0.72 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 29.03 1rii h TRP 116 CO -0.48 0.00 -0.29 -0.09 -1.05 0.00 0.00 178.44 176.53 1rii h ARG 117 N 0.00 -0.78 0.00 0.49 2.43 -0.13 -3.41 114.38 112.98 1rii h ARG 117 Ca 0.00 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1rii h ARG 117 Cb 0.12 0.18 -0.12 0.00 -0.42 0.00 0.00 29.97 29.73 1rii h ARG 117 CO 0.00 -0.52 -0.57 0.54 -1.51 0.00 0.00 179.97 177.91 1rii n ARG 118 N -5.15 0.82 -3.20 0.20 1.74 -0.94 -5.02 116.66 105.11 1rii n ARG 118 Ca -0.10 -2.43 -0.39 0.00 -0.77 0.00 0.00 57.85 54.16 1rii n ARG 118 Cb 0.32 -0.94 -0.06 0.00 -1.02 0.00 0.00 32.46 30.75 1rii n ARG 118 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1rii s SER 119 N -2.46 6.64 0.46 0.55 0.15 0.16 -4.94 113.70 114.26 1rii s SER 119 Ca 0.30 0.77 0.13 0.00 0.70 0.00 0.00 55.95 57.85 1rii s SER 119 Cb 0.30 -2.32 1.06 0.00 -1.71 0.00 0.00 66.02 63.36 1rii s SER 119 CO -0.07 -0.18 2.06 0.22 1.20 0.00 0.00 173.24 176.47 1rii h TYR 120 N 7.32 0.31 -0.00 3.44 3.20 -1.88 -3.28 116.97 126.08 1rii h TYR 120 Ca -0.34 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1rii h TYR 120 Cb 1.16 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1rii h TYR 120 CO 0.69 0.18 -0.07 -0.40 -1.64 0.00 0.00 178.16 176.92 1rii n ASP 121 N -4.48 0.74 -4.10 -2.11 5.75 -1.26 -1.39 116.55 109.70 1rii n ASP 121 Ca 0.04 -0.87 -0.33 0.00 -0.01 0.00 0.00 54.79 53.61 1rii n ASP 121 Cb 0.19 0.48 -0.14 0.00 -1.03 0.00 0.00 41.12 40.61 1rii n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1rii s THR 122 N -0.76 2.51 0.58 2.12 2.01 -1.24 -4.97 115.64 115.89 1rii s THR 122 Ca 0.03 -1.66 -0.16 0.00 0.31 0.00 0.00 61.69 60.21 1rii s THR 122 Cb 0.03 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1rii s THR 122 CO 0.08 -0.15 1.05 -2.16 -0.69 0.00 0.00 174.62 172.75 1rii s PRO 123 N 1.13 3.38 1.14 4.92 0.04 -1.26 -4.52 135.00 139.83 1rii s PRO 123 Ca -0.05 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.04 1rii s PRO 123 Cb -0.20 -2.04 0.26 0.00 0.04 0.00 0.00 34.50 32.56 1rii s PRO 123 CO -0.04 -0.76 1.06 -1.25 0.04 0.00 0.00 177.00 176.06 1rii s PRO 124 N -4.03 -0.73 0.81 0.56 0.04 -1.26 -4.97 135.00 125.41 1rii s PRO 124 Ca 0.63 0.36 -0.13 0.00 0.04 0.00 0.00 61.00 61.91 1rii s PRO 124 Cb -0.16 -1.61 0.08 0.00 0.04 0.00 0.00 34.50 32.85 1rii s PRO 124 CO 0.36 -3.48 1.18 -2.30 0.04 0.00 0.00 177.00 172.80 1rii n PRO 125 N -4.67 0.20 -2.26 0.56 -0.02 -1.26 -4.81 135.00 122.74 1rii n PRO 125 Ca 0.07 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 1rii n PRO 125 Cb 0.58 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1rii n PRO 125 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1rii s PRO 126 N -4.07 4.37 0.56 0.52 0.04 -1.26 -1.01 135.00 134.14 1rii s PRO 126 Ca 0.73 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 63.63 1rii s PRO 126 Cb -0.29 -3.02 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 1rii s PRO 126 CO 0.51 -0.10 1.02 -1.50 0.04 0.00 0.00 177.00 176.96 1rii s ILE 127 N -1.21 4.21 -0.15 0.56 1.10 0.08 -4.20 121.20 121.59 1rii s ILE 127 Ca 0.49 1.04 -0.29 0.00 -0.51 0.00 0.00 60.65 61.38 1rii s ILE 127 Cb -0.36 -3.57 -0.03 0.00 0.15 0.00 0.00 42.46 38.66 1rii s ILE 127 CO 0.46 -0.62 1.42 -0.70 -2.11 0.00 0.00 174.94 173.39 1rii s GLU 128 N -4.12 4.13 0.44 3.50 2.12 -1.26 -4.93 118.70 118.59 1rii s GLU 128 Ca 0.61 1.77 -0.23 0.00 0.36 0.00 0.00 54.97 57.48 1rii s GLU 128 Cb -0.13 -3.87 -0.11 0.00 0.26 0.00 0.00 34.13 30.28 1rii s GLU 128 CO 0.35 -0.86 0.79 -2.13 -0.54 0.00 0.00 175.26 172.86 1rii n ARG 129 N 6.96 0.93 -0.62 4.30 0.63 -1.26 -0.84 116.66 126.76 1rii n ARG 129 Ca 0.16 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 1rii n ARG 129 Cb 0.44 -1.81 0.00 0.00 0.45 0.00 0.00 32.46 31.54 1rii n ARG 129 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rii n GLY 130 N 1.48 0.37 3.93 5.14 0.00 -1.26 -4.97 105.19 109.87 1rii n GLY 130 Ca 0.11 0.00 -0.29 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 -2.35 3.72 0.24 1.61 1.04 -0.02 -4.93 113.70 113.00 1rii s SER 131 Ca 0.00 0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.72 1rii s SER 131 Cb 0.00 -0.59 0.29 0.00 0.10 0.00 0.00 66.02 65.82 1rii s SER 131 CO 0.00 -2.35 1.88 -0.61 0.98 0.00 0.00 173.24 173.14 1rii h GLN 132 N -1.31 1.10 -0.57 4.02 4.15 -1.93 -2.43 115.11 118.13 1rii h GLN 132 Ca -0.44 -0.07 -0.22 0.00 0.77 0.00 0.00 58.65 58.69 1rii h GLN 132 Cb 1.27 -0.25 -0.13 0.00 0.21 0.00 0.00 27.48 28.58 1rii h GLN 132 CO 0.47 0.72 0.18 1.19 -1.93 0.00 0.00 178.83 179.46 1rii n PHE 133 N -4.52 1.84 -3.66 3.99 3.72 -1.26 -4.96 117.46 112.62 1rii n PHE 133 Ca 0.12 -1.39 -0.37 0.00 -0.05 0.00 0.00 57.45 55.76 1rii n PHE 133 Cb 0.10 -0.60 -0.06 0.00 -0.94 0.00 0.00 39.48 37.98 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 -1.74 6.63 0.00 4.37 0.15 -0.92 -4.77 113.70 117.42 1rii s SER 134 Ca 0.50 0.75 0.22 0.00 0.70 0.00 0.00 55.95 58.11 1rii s SER 134 Cb 0.42 -2.17 0.24 0.00 -1.71 0.00 0.00 66.02 62.80 1rii s SER 134 CO 0.08 0.34 1.24 0.00 1.20 0.00 0.00 173.24 176.09 1rii n GLN 135 N 1.74 2.14 0.06 5.44 3.00 -1.26 -4.60 117.38 123.89 1rii n GLN 135 Ca -0.15 -1.93 0.19 0.00 -0.01 0.00 0.00 57.00 55.10 1rii n GLN 135 Cb 0.53 -1.43 0.72 0.00 0.00 0.00 0.00 30.24 30.06 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 4.20 0.00 -0.02 1.08 2.03 -1.93 0.11 116.42 121.90 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 0.91 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 1rii h ASP 136 CO 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 179.24 178.09 1rii n ALA 137 N -2.54 2.75 -2.20 4.15 0.00 -1.26 -4.02 120.51 117.39 1rii n ALA 137 Ca 0.08 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 1rii n ALA 137 Cb 0.55 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.13 6.84 0.66 0.00 -1.08 0.38 -4.89 116.67 116.46 1rii s ASP 138 Ca 0.27 2.22 0.41 0.00 -0.52 0.00 0.00 52.55 54.92 1rii s ASP 138 Cb 0.20 -2.57 2.23 0.00 -1.46 0.00 0.00 42.92 41.32 1rii s ASP 138 CO 0.37 -0.68 2.28 1.55 0.52 0.00 0.00 175.17 179.21 1rii h PRO 139 N 7.37 0.00 0.00 4.34 0.13 -1.92 -1.23 132.00 140.69 1rii h PRO 139 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1rii h PRO 139 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1rii h PRO 139 CO 0.88 0.00 0.00 0.07 -0.23 0.00 0.00 178.00 178.72 1rii h ARG 140 N 0.00 0.00 -0.45 0.86 0.11 -1.93 -2.60 114.38 110.37 1rii h ARG 140 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1rii h ARG 140 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1rii h ARG 140 CO -0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 1rii n TYR 141 N -2.60 1.05 -0.34 4.08 4.01 -0.47 -4.65 117.16 118.25 1rii n TYR 141 Ca 0.02 -0.66 0.06 0.00 -0.16 0.00 0.00 57.90 57.17 1rii n TYR 141 Cb 0.31 -0.21 0.25 0.00 -0.31 0.00 0.00 39.34 39.38 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 2.84 1.55 0.00 -0.72 0.00 -1.51 -0.39 119.26 121.03 1rii h ALA 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rii h ALA 142 Cb 1.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1rii h ALA 142 CO 0.17 0.25 0.00 -0.25 0.00 0.00 0.00 179.25 179.42 1rii n ASP 143 N -4.56 0.60 -0.85 0.00 8.00 -1.26 -1.57 116.55 116.90 1rii n ASP 143 Ca 0.17 0.63 0.02 0.00 0.71 0.00 0.00 54.79 56.32 1rii n ASP 143 Cb 0.31 -0.76 0.20 0.00 -0.02 0.00 0.00 41.12 40.86 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 -2.14 2.35 -2.53 0.53 -5.35 -0.80 -4.96 119.36 106.46 1rii n ILE 144 Ca 0.03 -2.64 -0.14 0.00 -0.27 0.00 0.00 62.75 59.73 1rii n ILE 144 Cb 0.26 -0.28 0.01 0.00 -1.74 0.00 0.00 39.64 37.89 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 -1.06 -0.16 1.87 3.28 0.00 -0.61 -2.19 105.19 106.33 1rii n GLY 145 Ca 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.15 2.98 0.00 -0.02 0.00 -0.22 -4.92 105.19 101.86 1rii n GLY 146 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.11 3.81 -0.02 0.00 -0.93 -3.84 105.19 102.09 1rii n GLY 147 Ca 0.00 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.17 3.35 0.00 1.61 0.04 -1.26 -4.97 135.00 132.60 1rii s PRO 148 Ca 0.00 1.14 0.25 0.00 0.04 0.00 0.00 61.00 62.44 1rii s PRO 148 Cb 0.00 -2.04 0.54 0.00 0.04 0.00 0.00 34.50 33.04 1rii s PRO 148 CO 0.00 -0.78 1.46 1.28 0.04 0.00 0.00 177.00 179.00 1rii n LEU 149 N -2.11 2.40 -3.61 -3.56 4.77 -1.26 -4.94 117.00 108.69 1rii n LEU 149 Ca 0.08 -0.81 -0.04 0.00 -0.03 0.00 0.00 56.01 55.21 1rii n LEU 149 Cb 0.53 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1rii n LEU 149 CO 0.48 0.41 1.04 0.28 -1.33 0.00 0.00 177.39 178.26 1rii s THR 150 N -1.98 0.00 0.01 -5.08 -1.32 -1.26 -0.74 115.64 105.26 1rii s THR 150 Ca 0.32 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.77 1rii s THR 150 Cb 0.20 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.19 1rii s THR 150 CO 0.31 0.00 0.04 -1.61 -2.21 0.00 0.00 174.62 171.16 1rii s GLU 151 N -1.73 0.32 0.44 7.08 2.02 -0.41 -4.91 118.70 121.51 1rii s GLU 151 Ca 0.08 -0.41 0.08 0.00 0.02 0.00 0.00 54.97 54.74 1rii s GLU 151 Cb -0.01 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.34 1rii s GLU 151 CO -0.05 -0.06 0.43 0.00 0.02 0.00 0.00 175.26 175.60 1rii h LEU 153 N 0.90 0.53 -0.99 0.00 5.85 -1.75 -1.04 115.31 118.81 1rii h LEU 153 Ca -0.40 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.31 1rii h LEU 153 Cb 1.27 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.07 1rii h LEU 153 CO 0.54 0.68 0.61 0.00 -0.34 0.00 0.00 178.44 179.94 1rii h ALA 154 N 1.37 1.52 -0.46 1.25 0.00 -1.58 0.05 119.26 121.41 1rii h ALA 154 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1rii h ALA 154 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1rii h ALA 154 CO 0.03 0.15 0.18 -0.44 0.00 0.00 0.00 179.25 179.17 1rii h ASP 155 N 0.92 0.64 -0.59 0.00 3.32 -1.49 -1.44 116.42 117.79 1rii h ASP 155 Ca 0.51 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 1rii h ASP 155 Cb 0.58 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1rii h ASP 155 CO -0.29 0.64 0.10 0.58 -1.72 0.00 0.00 179.24 178.55 1rii h VAL 156 N 0.61 1.26 -0.72 -1.35 2.07 -0.58 -0.67 116.25 116.86 1rii h VAL 156 Ca 0.15 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1rii h VAL 156 Cb 0.21 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1rii h VAL 156 CO -0.01 0.36 0.42 0.58 0.02 0.00 0.00 177.57 178.94 1rii h VAL 157 N 0.88 1.00 -0.56 2.57 2.07 -0.84 -0.20 116.25 121.17 1rii h VAL 157 Ca 0.18 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1rii h VAL 157 Cb 0.41 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1rii h VAL 157 CO 0.01 0.14 0.14 0.00 0.02 0.00 0.00 177.57 177.88 1rii h ALA 158 N 1.35 0.74 0.00 1.67 0.00 -0.25 -2.71 119.26 120.07 1rii h ALA 158 Ca 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rii h ALA 158 Cb 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1rii h ALA 158 CO -0.17 0.44 -0.57 2.89 0.00 0.00 0.00 179.25 181.85 1rii n ARG 159 N -4.40 0.06 -0.04 0.00 -4.01 -0.36 -4.16 116.66 103.76 1rii n ARG 159 Ca 0.03 0.01 -0.13 0.00 -1.04 0.00 0.00 57.85 56.72 1rii n ARG 159 Cb 0.23 -1.53 -0.11 0.00 -3.04 0.00 0.00 32.46 28.01 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 -0.01 -0.63 2.89 3.57 -0.83 -3.40 116.94 118.52 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 0.55 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 1rii h PHE 160 CO 0.00 0.71 0.33 -0.07 -2.23 0.00 0.00 178.31 177.05 1rii h LEU 161 N -0.77 0.47 -1.00 0.59 3.38 -1.65 -0.63 115.31 115.70 1rii h LEU 161 Ca -0.00 0.04 0.30 0.00 0.09 0.00 0.00 57.88 58.31 1rii h LEU 161 Cb 0.73 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 1rii h LEU 161 CO 0.00 0.30 0.58 -0.65 0.09 0.00 0.00 178.44 178.76 1rii h PRO 162 N 0.61 0.39 -0.25 1.13 0.11 -1.78 0.72 132.00 132.93 1rii h PRO 162 Ca 0.29 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.21 1rii h PRO 162 Cb 0.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1rii h PRO 162 CO -0.20 0.26 -0.51 -0.92 -0.21 0.00 0.00 178.00 176.42 1rii h TYR 163 N 0.40 0.98 0.66 0.65 3.20 -1.35 -1.02 116.97 120.51 1rii h TYR 163 Ca 0.71 -0.36 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 1rii h TYR 163 Cb 1.54 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.62 1rii h TYR 163 CO -0.01 1.17 -0.37 0.35 -1.64 0.00 0.00 178.16 177.65 1rii h PHE 164 N 0.52 -0.98 -0.47 -3.82 3.57 -0.80 -1.95 116.94 113.01 1rii h PHE 164 Ca 0.01 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1rii h PHE 164 Cb 1.12 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 40.18 1rii h PHE 164 CO 0.08 -0.58 -0.10 1.79 -2.23 0.00 0.00 178.31 177.27 1rii h THR 165 N -0.97 1.26 0.00 4.41 1.35 -0.91 -1.03 112.91 117.02 1rii h THR 165 Ca -0.09 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1rii h THR 165 Cb 0.77 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1rii h THR 165 CO 0.11 0.42 -0.86 0.47 -0.25 0.00 0.00 175.52 175.41 1rii n ASP 166 N -4.16 0.63 0.03 5.36 9.92 -0.39 -4.38 116.55 123.56 1rii n ASP 166 Ca 0.02 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1rii n ASP 166 Cb 0.38 0.57 0.00 0.00 -0.64 0.00 0.00 41.12 41.43 1rii n ASP 166 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1rii n VAL 167 N -1.93 0.56 0.11 2.53 0.31 -0.76 -4.78 118.33 114.38 1rii n VAL 167 Ca 0.03 0.19 -0.22 0.00 -0.01 0.00 0.00 64.34 64.33 1rii n VAL 167 Cb 0.42 -1.50 -0.14 0.00 -0.91 0.00 0.00 33.84 31.71 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 0.00 1.32 -0.67 2.52 2.04 -1.06 -3.20 117.51 118.46 1rii h ILE 168 Ca 0.00 -2.64 0.01 0.00 1.00 0.00 0.00 64.86 63.23 1rii h ILE 168 Cb 0.51 2.85 -0.03 0.00 -0.74 0.00 0.00 36.82 39.40 1rii h ILE 168 CO 0.00 0.79 0.45 0.58 0.00 0.00 0.00 178.15 179.97 1rii h VAL 169 N 0.20 1.15 -0.76 1.67 2.07 -1.42 -1.81 116.25 117.36 1rii h VAL 169 Ca -0.20 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1rii h VAL 169 Cb 2.00 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1rii h VAL 169 CO 0.24 0.16 0.37 1.23 0.02 0.00 0.00 177.57 179.59 1rii h GLY 170 N 0.89 1.15 1.04 2.17 0.00 -1.78 0.19 103.07 106.73 1rii h GLY 170 Ca 0.25 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 1rii h GLY 170 CO -0.06 0.53 0.06 -0.55 0.00 0.00 0.00 176.54 176.52 1rii h ASP 171 N 1.07 0.95 -0.82 0.19 3.32 -1.41 -3.00 116.42 116.73 1rii h ASP 171 Ca 0.26 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1rii h ASP 171 Cb 0.10 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 1rii h ASP 171 CO -0.03 0.99 0.35 -0.07 -1.72 0.00 0.00 179.24 178.76 1rii h LEU 172 N 0.88 1.11 -1.54 1.55 4.07 -0.58 -2.00 115.31 118.79 1rii h LEU 172 Ca 0.17 -0.16 0.02 0.00 0.08 0.00 0.00 57.88 57.99 1rii h LEU 172 Cb 0.47 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 1rii h LEU 172 CO 0.02 0.97 0.33 -0.09 -1.08 0.00 0.00 178.44 178.59 1rii h ARG 173 N 1.18 0.59 -0.62 1.13 2.43 -0.54 0.19 114.38 118.75 1rii h ARG 173 Ca 0.28 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1rii h ARG 173 Cb 0.19 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1rii h ARG 173 CO -0.03 0.39 0.00 1.33 -1.51 0.00 0.00 179.97 180.16 1rii n VAL 174 N -4.47 2.36 -0.26 0.20 0.24 -0.99 -4.71 118.33 110.70 1rii n VAL 174 Ca 0.05 -1.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.08 1rii n VAL 174 Cb 0.10 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 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 0.77 0.71 3.77 7.63 0.00 -0.23 -4.92 105.19 112.91 1rii n GLY 175 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.74 4.32 -0.26 1.61 1.02 -0.79 -4.23 119.74 120.66 1rii s LYS 176 Ca 0.00 1.73 -0.29 0.00 0.02 0.00 0.00 55.97 57.43 1rii s LYS 176 Cb 0.00 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1rii s LYS 176 CO 0.00 -0.06 1.06 0.99 -0.92 0.00 0.00 175.35 176.42 1rii s THR 177 N -1.39 4.61 -0.18 2.17 2.01 -1.26 -3.61 115.64 117.98 1rii s THR 177 Ca 0.52 1.91 -0.06 0.00 0.31 0.00 0.00 61.69 64.38 1rii s THR 177 Cb -0.28 -4.35 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 1rii s THR 177 CO 0.36 -0.30 0.03 -0.69 -0.69 0.00 0.00 174.62 173.33 1rii s VAL 178 N 3.38 4.37 -0.23 3.82 1.01 0.18 -0.94 120.40 131.99 1rii s VAL 178 Ca 0.45 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1rii s VAL 178 Cb -0.14 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1rii s VAL 178 CO 0.10 0.45 0.05 -0.22 0.00 0.00 0.00 175.10 175.48 1rii s LEU 179 N 0.57 3.44 -0.24 3.92 2.96 -0.67 -0.48 118.68 128.16 1rii s LEU 179 Ca 0.01 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1rii s LEU 179 Cb -0.13 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 1rii s LEU 179 CO 0.02 0.01 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.42 1rii s ILE 180 N 1.36 3.56 -0.23 6.68 1.01 0.06 -0.61 121.20 133.03 1rii s ILE 180 Ca 0.05 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 1rii s ILE 180 Cb -0.15 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.64 1rii s ILE 180 CO 0.03 0.33 -0.05 -0.69 0.00 0.00 0.00 174.94 174.56 1rii s VAL 181 N 1.49 3.20 0.00 2.92 1.01 -0.29 -0.47 120.40 128.25 1rii s VAL 181 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1rii s VAL 181 Cb -0.15 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1rii s VAL 181 CO -0.01 0.33 0.00 0.00 0.00 0.00 0.00 175.10 175.42 1rii n ALA 182 N 4.76 0.00 -2.20 5.51 0.00 0.15 -3.69 120.51 125.04 1rii n ALA 182 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1rii n ALA 182 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 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 0.99 1.02 0.19 0.00 3.76 -1.26 -2.43 115.29 117.56 1rii s HIS 183 Ca 0.00 -0.91 -0.21 0.00 -0.15 0.00 0.00 55.06 53.79 1rii s HIS 183 Cb 0.00 -0.57 0.13 0.00 1.11 0.00 0.00 32.58 33.25 1rii s HIS 183 CO 0.00 -0.12 1.58 0.78 -0.85 0.00 0.00 174.74 176.13 1rii h GLY 184 N 2.88 -0.14 2.00 -2.22 0.00 -1.94 0.29 103.07 103.95 1rii h GLY 184 Ca -0.36 0.46 -0.20 0.00 0.00 0.00 0.00 47.33 47.24 1rii h GLY 184 CO 0.64 -0.20 -0.94 3.43 0.00 0.00 0.00 176.54 179.48 1rii h ASN 185 N -0.15 0.00 0.07 0.19 2.35 -1.96 -1.91 115.58 114.16 1rii h ASN 185 Ca 0.24 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.73 1rii h ASN 185 Cb 0.56 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.95 1rii h ASN 185 CO -0.72 0.94 -1.02 0.77 -1.65 0.00 0.00 177.43 175.75 1rii h SER 186 N 0.00 0.84 0.43 5.81 4.64 -1.71 -1.75 113.55 121.81 1rii h SER 186 Ca -0.01 -0.67 -0.07 0.00 -0.47 0.00 0.00 61.79 60.57 1rii h SER 186 Cb 1.71 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.53 1rii h SER 186 CO 0.12 1.47 -0.34 -0.07 -0.87 0.00 0.00 176.83 177.14 1rii h LEU 187 N 0.37 0.00 -0.99 5.97 3.38 -0.94 -2.36 115.31 120.73 1rii h LEU 187 Ca -0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1rii h LEU 187 Cb 1.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 1rii h LEU 187 CO 0.20 0.34 0.26 0.03 0.09 0.00 0.00 178.44 179.36 1rii h ARG 188 N 0.00 0.99 -0.70 1.13 3.08 -1.15 -0.52 114.38 117.22 1rii h ARG 188 Ca -0.00 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1rii h ARG 188 Cb 0.65 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1rii h ARG 188 CO 0.04 0.81 0.43 0.00 -1.07 0.00 0.00 179.97 180.18 1rii h ALA 189 N 1.32 0.89 -0.33 0.04 0.00 -0.99 0.41 119.26 120.60 1rii h ALA 189 Ca 0.23 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1rii h ALA 189 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1rii h ALA 189 CO -0.02 0.35 -0.28 1.25 0.00 0.00 0.00 179.25 180.55 1rii h LEU 190 N 0.95 0.81 -0.72 0.00 5.85 -0.86 -2.67 115.31 118.67 1rii h LEU 190 Ca 0.25 -0.46 -0.14 0.00 0.84 0.00 0.00 57.88 58.38 1rii h LEU 190 Cb -0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1rii h LEU 190 CO -0.05 1.10 -0.54 0.58 -0.34 0.00 0.00 178.44 179.19 1rii h VAL 191 N 0.53 1.36 -0.94 1.05 2.07 -0.91 -1.63 116.25 117.79 1rii h VAL 191 Ca 0.06 -1.84 0.05 0.00 0.82 0.00 0.00 66.70 65.79 1rii h VAL 191 Cb 0.85 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 1rii h VAL 191 CO 0.07 0.55 0.61 0.50 0.02 0.00 0.00 177.57 179.32 1rii h LYS 192 N 0.21 1.11 0.31 1.57 3.64 -0.82 -0.84 116.57 121.75 1rii h LYS 192 Ca 0.00 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1rii h LYS 192 Cb 1.02 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1rii h LYS 192 CO 0.09 0.74 -0.15 1.25 -2.27 0.00 0.00 179.45 179.10 1rii h HIS 193 N 1.15 -0.39 -0.61 1.91 2.76 -1.13 -0.15 115.15 118.69 1rii h HIS 193 Ca 0.39 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.57 1rii h HIS 193 Cb 0.08 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 1rii h HIS 193 CO -0.01 -0.05 0.39 -0.07 -1.30 0.00 0.00 177.93 176.89 1rii h LEU 194 N -0.78 0.65 -2.84 0.26 3.38 -1.16 -2.93 115.31 111.90 1rii h LEU 194 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rii h LEU 194 Cb 0.51 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1rii h LEU 194 CO 0.07 0.47 0.00 0.47 0.09 0.00 0.00 178.44 179.54 1rii n ASP 195 N -4.70 4.02 -3.84 -0.43 8.00 -0.33 -4.46 116.55 114.81 1rii n ASP 195 Ca 0.05 -2.08 -0.26 0.00 0.71 0.00 0.00 54.79 53.21 1rii n ASP 195 Cb 0.05 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 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 1.45 -3.27 -2.60 -1.24 6.02 -0.39 -4.92 117.38 112.43 1rii n GLN 196 Ca 0.24 0.46 -0.40 0.00 -0.01 0.00 0.00 57.00 57.29 1rii n GLN 196 Cb 0.66 -4.60 -0.05 0.00 1.02 0.00 0.00 30.24 27.27 1rii n GLN 196 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1rii s MET 197 N -6.31 4.72 0.78 -1.09 -1.94 -0.21 -5.03 119.30 110.22 1rii s MET 197 Ca 0.09 1.65 -0.13 0.00 -1.71 0.00 0.00 55.69 55.59 1rii s MET 197 Cb -0.03 -3.25 0.07 0.00 2.01 0.00 0.00 34.83 33.62 1rii s MET 197 CO 0.87 0.30 1.17 -1.54 -0.01 0.00 0.00 175.02 175.81 1rii s SER 198 N -0.78 3.94 0.32 3.03 1.04 -1.26 -4.82 113.70 115.18 1rii s SER 198 Ca 0.44 2.23 0.09 0.00 0.48 0.00 0.00 55.95 59.19 1rii s SER 198 Cb -0.29 -2.57 0.86 0.00 0.10 0.00 0.00 66.02 64.12 1rii s SER 198 CO 0.36 -2.43 1.75 0.44 0.98 0.00 0.00 173.24 174.34 1rii h ASP 199 N -0.79 0.69 1.10 7.02 3.32 -1.99 -0.97 116.42 124.78 1rii h ASP 199 Ca -0.46 0.12 -0.14 0.00 0.02 0.00 0.00 57.03 56.57 1rii h ASP 199 Cb 1.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 1rii h ASP 199 CO 0.48 0.16 -0.96 0.44 -1.72 0.00 0.00 179.24 177.64 1rii h ASP 200 N 0.62 0.00 -0.33 6.45 3.32 -2.00 -3.31 116.42 121.18 1rii h ASP 200 Ca 0.62 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.58 1rii h ASP 200 Cb 1.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1rii h ASP 200 CO -0.42 0.57 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.19 1rii h GLU 201 N 0.00 0.67 0.00 3.56 5.08 -1.56 -3.29 114.58 119.04 1rii h GLU 201 Ca -0.08 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1rii h GLU 201 Cb 1.50 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1rii h GLU 201 CO 0.06 0.88 0.00 0.97 -1.00 0.00 0.00 179.01 179.92 1rii h ILE 202 N 0.44 0.00 -0.00 3.13 6.09 -1.39 -2.68 117.51 123.10 1rii h ILE 202 Ca 0.07 -0.47 -0.06 0.00 -1.37 0.00 0.00 64.86 63.03 1rii h ILE 202 Cb 0.67 1.38 -0.01 0.00 0.47 0.00 0.00 36.82 39.33 1rii h ILE 202 CO 0.05 0.00 -0.29 1.62 -3.07 0.00 0.00 178.15 176.45 1rii h VAL 203 N 0.00 1.21 -0.44 2.19 3.04 -1.66 -2.74 116.25 117.85 1rii h VAL 203 Ca 0.00 -1.01 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 1rii h VAL 203 Cb 0.59 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 1rii h VAL 203 CO 0.00 0.29 0.00 0.61 -1.01 0.00 0.00 177.57 177.46 1rii n GLY 204 N -0.69 3.10 3.67 3.17 0.00 -1.01 -4.92 105.19 108.52 1rii n GLY 204 Ca -0.02 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.79 4.18 -0.20 0.99 2.96 -1.04 -5.02 118.68 118.76 1rii s LEU 205 Ca 0.39 1.25 -0.11 0.00 -0.22 0.00 0.00 54.13 55.44 1rii s LEU 205 Cb 0.26 -3.32 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 1rii s LEU 205 CO 0.17 -0.43 0.18 0.20 -1.32 0.00 0.00 176.35 175.15 1rii s ASN 206 N 1.15 6.26 -0.21 3.68 0.01 -1.26 -5.06 114.94 119.51 1rii s ASN 206 Ca 0.40 0.29 -0.00 0.00 -0.71 0.00 0.00 52.86 52.84 1rii s ASN 206 Cb -0.17 -2.12 0.02 0.00 0.41 0.00 0.00 41.25 39.39 1rii s ASN 206 CO 0.13 0.13 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.09 1rii s ILE 207 N 0.52 2.51 0.49 0.60 1.01 -1.26 -5.01 121.20 120.06 1rii s ILE 207 Ca 0.10 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.64 1rii s ILE 207 Cb -0.12 -2.15 -0.08 0.00 0.01 0.00 0.00 42.46 40.13 1rii s ILE 207 CO 0.01 0.41 1.08 -2.16 0.00 0.00 0.00 174.94 174.28 1rii s PRO 208 N 1.32 3.69 0.32 2.79 0.04 -1.26 -4.99 135.00 136.92 1rii s PRO 208 Ca 0.03 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.30 1rii s PRO 208 Cb -0.14 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 1rii s PRO 208 CO -0.09 -0.55 0.96 0.95 0.04 0.00 0.00 177.00 178.32 1rii s THR 209 N -1.85 4.12 -1.00 1.26 -4.23 -1.26 -4.10 115.64 108.57 1rii s THR 209 Ca 0.68 1.80 0.00 0.00 -1.18 0.00 0.00 61.69 62.99 1rii s THR 209 Cb -0.20 -4.02 0.00 0.00 1.34 0.00 0.00 72.50 69.62 1rii s THR 209 CO 0.24 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 1rii n GLY 210 N 0.68 1.07 3.06 3.99 0.00 0.03 -4.91 105.19 109.12 1rii n GLY 210 Ca 0.02 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.24 1.97 0.32 -0.61 1.01 -1.26 -4.41 121.20 115.99 1rii s ILE 211 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 60.65 59.12 1rii s ILE 211 Cb 0.00 -1.98 -0.11 0.00 0.01 0.00 0.00 42.46 40.38 1rii s ILE 211 CO 0.00 0.20 1.47 -2.84 0.00 0.00 0.00 174.94 173.77 1rii s PRO 212 N 1.25 4.19 -0.27 2.79 0.02 -1.26 -4.74 135.00 136.98 1rii s PRO 212 Ca -0.02 2.45 -0.06 0.00 0.02 0.00 0.00 61.00 63.39 1rii s PRO 212 Cb -0.17 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1rii s PRO 212 CO -0.08 -0.47 0.04 -1.17 -0.33 0.00 0.00 177.00 174.99 1rii s LEU 213 N -1.26 3.53 -0.20 -5.54 0.20 0.46 -0.95 118.68 114.91 1rii s LEU 213 Ca 0.56 -0.57 -0.08 0.00 0.69 0.00 0.00 54.13 54.73 1rii s LEU 213 Cb -0.45 -1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 43.43 1rii s LEU 213 CO 0.53 -0.12 0.09 -0.60 -0.29 0.00 0.00 176.35 175.96 1rii s ARG 214 N 1.50 4.00 -0.22 1.98 3.52 0.95 -0.77 118.95 129.92 1rii s ARG 214 Ca 0.04 -0.32 -0.03 0.00 -0.13 0.00 0.00 55.73 55.28 1rii s ARG 214 Cb -0.16 -3.31 -0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1rii s ARG 214 CO 0.01 0.21 -0.06 0.71 -0.81 0.00 0.00 175.30 175.36 1rii s TYR 215 N 0.58 2.95 -0.01 5.12 1.51 0.17 -0.21 117.35 127.45 1rii s TYR 215 Ca 0.05 -1.06 -0.18 0.00 -1.01 0.00 0.00 57.07 54.87 1rii s TYR 215 Cb -0.13 -2.08 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 1rii s TYR 215 CO 0.01 -0.59 0.52 -0.51 -1.11 0.00 0.00 175.55 173.87 1rii s ASP 216 N 1.45 6.89 0.14 2.29 1.01 -1.26 -0.72 116.67 126.46 1rii s ASP 216 Ca 0.05 1.06 0.08 0.00 0.71 0.00 0.00 52.55 54.45 1rii s ASP 216 Cb -0.14 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1rii s ASP 216 CO -0.04 0.17 -0.19 -0.76 0.21 0.00 0.00 175.17 174.56 1rii s LEU 217 N -0.41 2.38 0.00 1.23 1.43 -1.26 -0.93 118.68 121.12 1rii s LEU 217 Ca 0.28 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1rii s LEU 217 Cb -0.17 -0.81 0.14 0.00 0.03 0.00 0.00 46.19 45.38 1rii s LEU 217 CO 0.15 -0.01 0.99 -0.90 0.23 0.00 0.00 176.35 176.81 1rii n ASP 218 N 0.62 1.38 0.30 2.29 5.68 -0.54 -4.63 116.55 121.64 1rii n ASP 218 Ca -0.16 -2.15 0.16 0.00 -0.50 0.00 0.00 54.79 52.14 1rii n ASP 218 Cb 0.56 -0.64 0.92 0.00 -1.14 0.00 0.00 41.12 40.82 1rii n ASP 218 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1rii h SER 219 N -0.57 0.00 -0.08 -1.12 4.64 -1.97 0.39 113.55 114.84 1rii h SER 219 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1rii h SER 219 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1rii h SER 219 CO 0.36 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 1rii n ALA 220 N -2.27 2.56 -1.32 5.18 0.00 -1.26 -4.85 120.51 118.54 1rii n ALA 220 Ca -0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.04 1rii n ALA 220 Cb 0.11 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.32 -0.94 -3.14 0.00 2.81 0.14 -4.99 117.12 110.68 1rii n MET 221 Ca 0.13 0.86 -0.39 0.00 -1.81 0.00 0.00 57.70 56.49 1rii n MET 221 Cb 0.15 -4.89 -0.05 0.00 -0.71 0.00 0.00 33.22 27.72 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 -2.83 4.39 0.44 0.03 0.52 -1.25 -4.79 118.95 115.47 1rii s ARG 222 Ca 0.00 0.76 -0.25 0.00 -0.52 0.00 0.00 55.73 55.72 1rii s ARG 222 Cb 0.00 -3.42 -0.09 0.00 0.52 0.00 0.00 34.95 31.96 1rii s ARG 222 CO 0.00 0.16 1.30 -2.30 0.02 0.00 0.00 175.30 174.48 1rii n PRO 223 N 3.49 1.94 0.11 3.54 -0.02 -1.26 -1.47 135.00 141.32 1rii n PRO 223 Ca -0.04 0.69 -0.03 0.00 -2.02 0.00 0.00 63.50 62.11 1rii n PRO 223 Cb 0.51 -2.44 0.04 0.00 -0.02 0.00 0.00 33.50 31.59 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 2.02 0.00 -7.56 2.45 3.38 -1.38 -3.42 115.31 110.80 1rii h LEU 224 Ca -0.49 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.90 1rii h LEU 224 Cb 1.29 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.66 1rii h LEU 224 CO 0.60 0.76 -0.78 -0.69 0.09 0.00 0.00 178.44 178.41 1rii s VAL 225 N -3.15 1.25 0.30 1.22 1.01 -1.26 -5.11 120.40 114.67 1rii s VAL 225 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 1rii s VAL 225 Cb 0.11 -1.54 -0.13 0.00 0.00 0.00 0.00 36.38 34.82 1rii s VAL 225 CO 0.78 -0.07 1.30 -1.14 0.00 0.00 0.00 175.10 175.97 1rii n ARG 226 N 4.79 2.03 0.00 2.72 0.63 -1.26 -1.01 116.66 124.56 1rii n ARG 226 Ca -0.11 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 1rii n ARG 226 Cb 0.45 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.06 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 1.26 3.09 7.00 5.14 0.00 -1.26 -4.91 105.19 115.51 1rii n GLY 227 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.76 -1.80 2.84 -0.02 0.00 -0.18 -4.86 105.19 99.41 1rii n GLY 228 Ca 0.00 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 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 0.84 0.74 2.61 2.01 0.71 -4.93 115.64 117.62 1rii s THR 229 Ca 0.00 -0.41 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 1rii s THR 229 Cb 0.00 -1.05 0.04 0.00 0.01 0.00 0.00 72.50 71.50 1rii s THR 229 CO 0.00 0.12 1.08 -0.31 -0.69 0.00 0.00 174.62 174.82 1rii s TYR 230 N 1.76 2.78 -1.76 4.92 2.02 -1.26 -0.03 117.35 125.78 1rii s TYR 230 Ca 0.02 1.50 0.25 0.00 -0.37 0.00 0.00 57.07 58.47 1rii s TYR 230 Cb -0.15 -2.98 0.42 0.00 -0.40 0.00 0.00 41.96 38.85 1rii s TYR 230 CO -0.07 -1.58 1.35 1.28 -1.57 0.00 0.00 175.55 174.96 1rii n LEU 231 N -3.37 1.34 -3.33 -1.29 4.77 -0.13 -4.22 117.00 110.76 1rii n LEU 231 Ca 0.08 -0.43 -0.26 0.00 -0.03 0.00 0.00 56.01 55.37 1rii n LEU 231 Cb 0.53 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1rii n LEU 231 CO 0.54 0.26 -0.30 -0.67 -1.33 0.00 0.00 177.39 175.89 1rii n ASP 232 N -0.54 -0.14 0.22 -1.43 -0.08 -1.26 -5.03 116.55 108.30 1rii n ASP 232 Ca 0.10 -2.51 -0.16 0.00 -1.51 0.00 0.00 54.79 50.70 1rii n ASP 232 Cb 0.39 -0.59 -0.09 0.00 2.34 0.00 0.00 41.12 43.17 1rii n ASP 232 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1rii h PRO 233 N 5.04 -0.80 -0.63 -0.67 0.11 -1.98 -1.74 132.00 131.33 1rii h PRO 233 Ca 0.20 0.05 0.12 0.00 0.11 0.00 0.00 66.00 66.48 1rii h PRO 233 Cb 0.89 0.18 -0.12 0.00 0.11 0.00 0.00 31.00 32.07 1rii h PRO 233 CO 0.41 -0.54 -0.17 -0.85 -0.21 0.00 0.00 178.00 176.65 1rii n GLU 234 N -5.51 -0.07 -2.83 1.05 0.00 -1.26 -1.75 120.64 110.27 1rii n GLU 234 Ca -0.10 0.98 -0.43 0.00 0.00 0.00 0.00 57.16 57.62 1rii n GLU 234 Cb 0.41 -1.47 -0.04 0.00 0.00 0.00 0.00 31.44 30.35 1rii n GLU 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1rii s ALA 235 N -5.77 3.09 -0.07 -1.84 0.00 -0.65 -4.74 121.76 111.78 1rii s ALA 235 Ca -0.09 -1.72 -0.00 0.00 0.00 0.00 0.00 51.96 50.15 1rii s ALA 235 Cb 0.16 -3.87 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1rii s ALA 235 CO 0.49 -2.76 -0.07 0.00 0.00 0.00 0.00 175.76 173.42 1rii n ALA 236 N 7.80 1.96 -0.10 0.00 0.00 -0.72 -4.70 120.51 124.76 1rii n ALA 236 Ca -0.03 -0.30 -0.14 0.00 0.00 0.00 0.00 53.44 52.98 1rii n ALA 236 Cb 0.46 0.35 -0.09 0.00 0.00 0.00 0.00 19.45 20.16 1rii n ALA 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rii n ALA 237 N -2.82 1.56 -0.77 0.00 0.00 -1.26 -4.21 120.51 113.02 1rii n ALA 237 Ca -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1rii n ALA 237 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1rii n ALA 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50