#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rii s ASN 3 N 0.00 5.32 0.18 0.00 -0.87 -1.26 -4.69 114.94 113.62 1rii s ASN 3 Ca 0.00 2.43 -0.31 0.00 -1.57 0.00 0.00 52.86 53.41 1rii s ASN 3 Cb 0.00 -2.60 -0.10 0.00 -0.02 0.00 0.00 41.25 38.53 1rii s ASN 3 CO 0.00 -1.50 1.54 -0.89 -2.57 0.00 0.00 177.10 173.67 1rii s THR 4 N -1.55 2.66 0.80 1.60 2.01 -1.26 -3.68 115.64 116.23 1rii s THR 4 Ca 0.75 0.49 -0.14 0.00 0.31 0.00 0.00 61.69 63.10 1rii s THR 4 Cb -0.31 -3.31 0.08 0.00 0.01 0.00 0.00 72.50 68.96 1rii s THR 4 CO 0.35 0.04 1.22 -0.83 -0.69 0.00 0.00 174.62 174.71 1rii s GLY 5 N 1.02 2.22 0.20 4.40 0.00 0.78 -4.80 107.32 111.14 1rii s GLY 5 Ca 0.68 0.89 -0.30 0.00 0.00 0.00 0.00 44.72 45.99 1rii s GLY 5 CO 0.33 1.31 1.13 -0.56 0.00 0.00 0.00 173.10 175.32 1rii s SER 6 N -2.07 7.21 -0.20 1.64 0.01 -1.24 -4.51 113.70 114.53 1rii s SER 6 Ca 0.74 2.17 -0.06 0.00 1.31 0.00 0.00 55.95 60.12 1rii s SER 6 Cb -0.30 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.29 1rii s SER 6 CO 0.50 -0.25 0.02 -0.22 0.41 0.00 0.00 173.24 173.70 1rii s LEU 7 N -0.56 3.39 -0.18 2.44 2.96 -0.72 -1.09 118.68 124.92 1rii s LEU 7 Ca 0.49 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1rii s LEU 7 Cb -0.31 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 1rii s LEU 7 CO 0.37 0.08 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.67 1rii s VAL 8 N 0.91 2.87 -0.09 1.68 1.01 0.80 0.15 120.40 127.74 1rii s VAL 8 Ca 0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1rii s VAL 8 Cb -0.14 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1rii s VAL 8 CO 0.02 0.49 -0.02 -0.76 0.00 0.00 0.00 175.10 174.83 1rii s LEU 9 N 1.05 3.45 -0.04 3.92 1.43 0.85 -1.16 118.68 128.18 1rii s LEU 9 Ca -0.00 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1rii s LEU 9 Cb -0.15 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.32 1rii s LEU 9 CO -0.03 0.35 0.07 -0.22 0.23 0.00 0.00 176.35 176.76 1rii s LEU 10 N -0.74 0.25 -0.09 1.79 2.96 -0.16 -0.73 118.68 121.96 1rii s LEU 10 Ca 0.11 0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 53.96 1rii s LEU 10 Cb -0.11 -0.07 -0.05 0.00 0.50 0.00 0.00 46.19 46.46 1rii s LEU 10 CO 0.02 -0.23 0.46 -0.60 -1.32 0.00 0.00 176.35 174.68 1rii s ARG 11 N 2.03 4.26 0.81 1.98 3.52 -1.26 -1.44 118.95 128.85 1rii s ARG 11 Ca 0.03 0.45 -0.11 0.00 -0.13 0.00 0.00 55.73 55.97 1rii s ARG 11 Cb -0.12 -3.39 0.08 0.00 -1.56 0.00 0.00 34.95 29.97 1rii s ARG 11 CO -0.03 0.28 1.11 -3.38 -0.81 0.00 0.00 175.30 172.47 1rii s HIS 12 N 0.21 2.26 0.00 5.12 -3.43 -1.11 -0.95 115.29 117.39 1rii s HIS 12 Ca 0.25 1.64 0.00 0.00 -0.80 0.00 0.00 55.06 56.15 1rii s HIS 12 Cb -0.16 -3.16 0.00 0.00 -1.43 0.00 0.00 32.58 27.84 1rii s HIS 12 CO 0.11 -2.14 0.00 0.41 -2.00 0.00 0.00 174.74 171.12 1rii n GLY 13 N -0.69 0.68 3.69 -1.38 0.00 -1.26 -4.48 105.19 101.75 1rii n GLY 13 Ca 0.10 -1.86 -0.44 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.05 2.50 -3.49 1.61 2.13 -1.26 -4.89 120.64 117.19 1rii n GLU 14 Ca 0.00 0.90 -0.20 0.00 0.66 0.00 0.00 57.16 58.52 1rii n GLU 14 Cb 0.00 -2.74 -0.01 0.00 0.27 0.00 0.00 31.44 28.97 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 1.81 6.02 0.51 4.31 1.04 -1.26 -1.02 113.70 125.12 1rii s SER 15 Ca 0.80 -0.06 0.24 0.00 0.48 0.00 0.00 55.95 57.42 1rii s SER 15 Cb -0.58 -1.41 1.34 0.00 0.10 0.00 0.00 66.02 65.47 1rii s SER 15 CO 0.38 -0.40 1.95 0.44 0.98 0.00 0.00 173.24 176.59 1rii h ASP 16 N 0.87 0.09 1.15 7.02 3.32 -1.43 -1.17 116.42 126.28 1rii h ASP 16 Ca -0.47 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 1rii h ASP 16 Cb 1.25 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1rii h ASP 16 CO 0.55 0.04 -0.89 -0.50 -1.72 0.00 0.00 179.24 176.72 1rii h TRP 17 N 0.09 0.00 -0.39 4.55 4.06 -1.91 -2.34 115.95 120.01 1rii h TRP 17 Ca 0.32 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.26 1rii h TRP 17 Cb 1.13 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.27 1rii h TRP 17 CO -0.00 0.50 0.22 -0.91 -3.56 0.00 0.00 178.44 174.69 1rii h ASN 18 N 0.00 0.48 -0.15 -3.49 -0.26 -1.49 -0.39 115.58 110.28 1rii h ASN 18 Ca -0.07 -0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.58 1rii h ASN 18 Cb 1.44 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.57 1rii h ASN 18 CO 0.05 0.42 0.06 0.00 -1.06 0.00 0.00 177.43 176.90 1rii h ALA 19 N 1.08 1.70 -0.24 -0.83 0.00 -1.34 -1.82 119.26 117.82 1rii h ALA 19 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rii h ALA 19 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1rii h ALA 19 CO -0.02 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.74 1rii n LEU 20 N -4.42 2.42 -2.97 0.00 4.77 -0.89 -4.95 117.00 110.97 1rii n LEU 20 Ca 0.00 -1.01 -0.20 0.00 -0.03 0.00 0.00 56.01 54.77 1rii n LEU 20 Cb 0.14 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1rii n LEU 20 CO 0.36 0.50 0.13 -3.20 -1.33 0.00 0.00 177.39 173.85 1rii n ASN 21 N 0.83 -5.71 -4.70 -1.43 4.05 -0.51 -4.93 115.26 102.85 1rii n ASN 21 Ca 0.17 -0.38 -0.33 0.00 0.45 0.00 0.00 54.58 54.49 1rii n ASN 21 Cb 0.45 -4.41 -0.09 0.00 1.23 0.00 0.00 39.78 36.96 1rii n ASN 21 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1rii s LEU 22 N -6.23 3.60 0.15 1.20 1.43 -0.27 -1.31 118.68 117.26 1rii s LEU 22 Ca 0.41 0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 53.26 1rii s LEU 22 Cb -0.18 -2.00 -0.11 0.00 0.03 0.00 0.00 46.19 43.93 1rii s LEU 22 CO 0.51 0.31 1.72 -0.36 0.23 0.00 0.00 176.35 178.76 1rii s PHE 23 N -1.05 2.60 -0.11 0.29 0.08 -0.35 -4.57 117.98 114.88 1rii s PHE 23 Ca 0.18 0.26 -0.12 0.00 0.12 0.00 0.00 56.93 57.37 1rii s PHE 23 Cb -0.12 -4.09 -0.05 0.00 -0.57 0.00 0.00 43.02 38.19 1rii s PHE 23 CO 0.08 -4.29 -0.24 2.41 -0.10 0.00 0.00 175.22 173.08 1rii n THR 24 N 4.35 1.37 0.00 0.64 -1.04 -1.26 -1.22 114.28 117.12 1rii n THR 24 Ca 0.16 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1rii n THR 24 Cb 0.37 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 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 2.05 3.64 0.13 3.41 0.00 -1.26 -1.55 105.19 111.61 1rii n GLY 25 Ca -0.14 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 13.77 0.00 -1.85 1.61 7.02 -1.26 -4.77 117.44 131.96 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 -0.13 -0.03 0.00 -2.42 0.00 0.00 31.31 28.73 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 -2.33 2.45 -1.41 -0.99 1.01 -0.60 -4.85 120.40 113.68 1rii s VAL 27 Ca 0.34 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.52 1rii s VAL 27 Cb 0.21 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.47 1rii s VAL 27 CO 0.44 0.02 2.54 -0.67 0.00 0.00 0.00 175.10 177.42 1rii n ASP 28 N 4.24 8.14 -4.81 3.32 2.03 -1.26 -4.97 116.55 123.24 1rii n ASP 28 Ca 0.15 -2.98 -0.33 0.00 0.52 0.00 0.00 54.79 52.15 1rii n ASP 28 Cb 0.37 -1.42 -0.00 0.00 -0.72 0.00 0.00 41.12 39.35 1rii n ASP 28 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1rii s VAL 29 N -0.13 3.87 0.84 5.18 1.01 -1.26 -4.72 120.40 125.19 1rii s VAL 29 Ca 0.58 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 63.41 1rii s VAL 29 Cb 0.18 -3.43 0.15 0.00 0.00 0.00 0.00 36.38 33.28 1rii s VAL 29 CO -0.08 -0.46 1.16 -0.83 0.00 0.00 0.00 175.10 174.89 1rii s GLY 30 N -2.63 1.75 0.24 4.51 0.00 -1.26 -3.49 107.32 106.44 1rii s GLY 30 Ca 0.64 -1.30 -0.12 0.00 0.00 0.00 0.00 44.72 43.94 1rii s GLY 30 CO 0.32 -0.67 0.60 1.08 0.00 0.00 0.00 173.10 174.43 1rii s LEU 31 N -5.54 4.17 0.77 0.66 1.02 -1.26 -1.26 118.68 117.23 1rii s LEU 31 Ca 0.69 1.04 -0.11 0.00 0.02 0.00 0.00 54.13 55.76 1rii s LEU 31 Cb -0.06 -3.73 0.05 0.00 0.02 0.00 0.00 46.19 42.48 1rii s LEU 31 CO 0.49 -0.08 1.09 0.42 0.02 0.00 0.00 176.35 178.29 1rii s THR 32 N -1.81 3.24 0.31 5.49 -4.23 -0.19 -4.58 115.64 113.88 1rii s THR 32 Ca 0.48 0.40 0.06 0.00 -1.18 0.00 0.00 61.69 61.45 1rii s THR 32 Cb -0.12 -3.22 0.30 0.00 1.34 0.00 0.00 72.50 70.81 1rii s THR 32 CO 0.20 -0.53 1.82 0.44 -0.54 0.00 0.00 174.62 176.01 1rii h ASP 33 N -0.95 0.79 0.16 3.99 5.19 -1.99 0.19 116.42 123.81 1rii h ASP 33 Ca -0.46 0.06 -0.12 0.00 -0.62 0.00 0.00 57.03 55.90 1rii h ASP 33 Cb 1.26 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 1rii h ASP 33 CO 0.60 0.36 -0.42 0.11 -3.12 0.00 0.00 179.24 176.78 1rii h LYS 34 N 0.82 0.33 -0.06 3.56 6.56 -1.92 -0.72 116.57 125.14 1rii h LYS 34 Ca 0.52 -0.16 -0.16 0.00 -1.06 0.00 0.00 60.65 59.78 1rii h LYS 34 Cb 0.73 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.38 1rii h LYS 34 CO -0.29 0.69 -0.67 0.78 -2.06 0.00 0.00 179.45 177.90 1rii h GLY 35 N 1.19 0.30 1.06 3.86 0.00 -1.01 -1.63 103.07 106.83 1rii h GLY 35 Ca 0.02 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1rii h GLY 35 CO 0.07 0.36 0.13 1.46 0.00 0.00 0.00 176.54 178.56 1rii h GLN 36 N 0.19 1.08 -0.48 4.80 4.20 -0.45 -2.20 115.11 122.26 1rii h GLN 36 Ca -0.02 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.33 1rii h GLN 36 Cb 1.21 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 1rii h GLN 36 CO 0.11 0.98 -0.06 0.00 -0.67 0.00 0.00 178.83 179.18 1rii h ALA 37 N 1.05 0.99 -0.63 3.87 0.00 -0.84 -1.91 119.26 121.80 1rii h ALA 37 Ca 0.20 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1rii h ALA 37 Cb 0.41 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1rii h ALA 37 CO 0.01 0.61 0.29 1.49 0.00 0.00 0.00 179.25 181.64 1rii h GLU 38 N 0.76 0.50 -0.59 0.00 4.81 -1.15 -1.91 114.58 117.00 1rii h GLU 38 Ca 0.14 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1rii h GLU 38 Cb 0.55 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1rii h GLU 38 CO 0.03 0.33 0.08 0.00 -0.73 0.00 0.00 179.01 178.73 1rii h ALA 39 N 1.38 0.79 -0.87 2.92 0.00 -0.72 -0.18 119.26 122.58 1rii h ALA 39 Ca 0.30 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1rii h ALA 39 Cb 0.30 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1rii h ALA 39 CO -0.25 0.55 0.57 0.28 0.00 0.00 0.00 179.25 180.40 1rii h VAL 40 N 0.89 1.16 -0.17 0.00 2.07 -1.11 -2.05 116.25 117.04 1rii h VAL 40 Ca 0.18 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 1rii h VAL 40 Cb 0.44 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1rii h VAL 40 CO 0.01 0.20 -0.28 -0.09 0.02 0.00 0.00 177.57 177.43 1rii h ARG 41 N 1.11 0.31 -0.61 1.57 9.65 -0.56 -2.50 114.38 123.36 1rii h ARG 41 Ca 0.34 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 59.12 1rii h ARG 41 Cb -0.02 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 1rii h ARG 41 CO -0.11 0.58 0.40 0.77 2.80 0.00 0.00 179.97 184.41 1rii h SER 42 N 0.28 0.69 -0.44 -3.80 0.02 -0.37 -1.84 113.55 108.08 1rii h SER 42 Ca 0.04 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1rii h SER 42 Cb 0.65 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1rii h SER 42 CO 0.05 0.49 0.21 1.23 -1.14 0.00 0.00 176.83 177.67 1rii h GLY 43 N 0.81 0.60 0.62 -3.77 0.00 -1.10 -1.34 103.07 98.90 1rii h GLY 43 Ca 0.23 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.47 1rii h GLY 43 CO -0.06 0.09 0.24 0.83 0.00 0.00 0.00 176.54 177.65 1rii h GLU 44 N 0.42 0.45 -0.33 4.80 5.08 -1.02 -1.63 114.58 122.34 1rii h GLU 44 Ca 0.19 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1rii h GLU 44 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1rii h GLU 44 CO -0.15 0.30 0.17 -0.07 -1.00 0.00 0.00 179.01 178.26 1rii h LEU 45 N 0.46 0.43 -1.00 1.33 3.38 -0.94 0.41 115.31 119.38 1rii h LEU 45 Ca 0.25 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.23 1rii h LEU 45 Cb 0.21 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 1rii h LEU 45 CO -0.20 0.41 0.63 0.40 0.09 0.00 0.00 178.44 179.76 1rii h ILE 46 N 0.41 0.93 -0.12 1.22 2.04 -0.99 -0.81 117.51 120.19 1rii h ILE 46 Ca 0.12 -0.34 -0.15 0.00 1.00 0.00 0.00 64.86 65.48 1rii h ILE 46 Cb 0.09 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.02 1rii h ILE 46 CO -0.02 0.18 -0.51 0.00 0.00 0.00 0.00 178.15 177.80 1rii h ALA 47 N 1.53 0.23 0.00 1.87 0.00 -0.51 -0.47 119.26 121.91 1rii h ALA 47 Ca 0.49 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rii h ALA 47 Cb 0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1rii h ALA 47 CO -0.26 0.42 -0.03 0.93 0.00 0.00 0.00 179.25 180.31 1rii h GLU 48 N 0.19 0.00 -0.63 0.00 5.08 0.15 -1.78 114.58 117.59 1rii h GLU 48 Ca -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1rii h GLU 48 Cb 1.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1rii h GLU 48 CO 0.11 0.03 0.10 0.72 -1.00 0.00 0.00 179.01 178.97 1rii n HIS 49 N -3.29 2.20 -3.87 4.33 8.25 -0.34 -4.95 115.22 117.55 1rii n HIS 49 Ca -0.02 -0.92 -0.19 0.00 -0.26 0.00 0.00 57.72 56.33 1rii n HIS 49 Cb 0.16 -0.58 0.01 0.00 1.12 0.00 0.00 29.99 30.70 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 0.28 -1.63 -2.68 0.41 8.00 -0.67 -4.88 116.55 115.38 1rii n ASP 50 Ca 0.33 -0.53 -0.30 0.00 0.71 0.00 0.00 54.79 55.00 1rii n ASP 50 Cb 1.27 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 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 -2.59 5.40 -4.64 0.64 4.77 -0.19 -5.05 117.00 115.34 1rii n LEU 51 Ca -0.04 -5.20 -0.43 0.00 -0.03 0.00 0.00 56.01 50.31 1rii n LEU 51 Cb 0.22 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1rii n LEU 51 CO 0.30 2.14 1.41 -0.76 -1.33 0.00 0.00 177.39 179.15 1rii s LEU 52 N -3.68 4.06 0.61 2.23 1.43 -1.26 -4.84 118.68 117.22 1rii s LEU 52 Ca 0.49 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 55.34 1rii s LEU 52 Cb 0.39 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 1rii s LEU 52 CO -0.23 -1.16 1.13 -2.16 0.23 0.00 0.00 176.35 174.16 1rii s PRO 53 N 4.51 2.99 -0.08 1.29 0.04 -1.26 -4.77 135.00 137.73 1rii s PRO 53 Ca 0.75 1.53 0.20 0.00 0.04 0.00 0.00 61.00 63.52 1rii s PRO 53 Cb -0.29 -1.96 -0.30 0.00 0.04 0.00 0.00 34.50 31.99 1rii s PRO 53 CO 0.30 -1.12 0.33 -0.25 0.04 0.00 0.00 177.00 176.30 1rii n ASP 54 N -1.93 0.23 -3.71 6.66 8.00 1.00 -4.97 116.55 121.83 1rii n ASP 54 Ca 0.11 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.47 1rii n ASP 54 Cb 0.51 1.64 -0.08 0.00 -0.02 0.00 0.00 41.12 43.17 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 -3.14 0.05 -0.07 2.53 0.11 -1.16 -4.25 120.40 114.48 1rii s VAL 55 Ca -0.08 -0.39 0.06 0.00 -2.93 0.00 0.00 61.98 58.63 1rii s VAL 55 Cb 0.11 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1rii s VAL 55 CO 0.84 -0.21 -0.25 -0.22 -3.33 0.00 0.00 175.10 171.93 1rii s LEU 56 N -1.32 2.07 -0.09 2.54 2.96 -0.39 -1.76 118.68 122.69 1rii s LEU 56 Ca -0.13 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.28 1rii s LEU 56 Cb -0.04 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 1rii s LEU 56 CO 0.05 0.22 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.84 1rii s TYR 57 N -0.04 2.72 0.23 5.38 2.02 -0.22 -0.78 117.35 126.66 1rii s TYR 57 Ca -0.07 -0.48 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 1rii s TYR 57 Cb -0.15 -1.73 -0.05 0.00 -0.40 0.00 0.00 41.96 39.63 1rii s TYR 57 CO 0.05 -0.07 0.07 0.95 -1.57 0.00 0.00 175.55 174.98 1rii s THR 58 N -0.12 0.58 0.33 -0.71 -4.23 -0.72 -1.28 115.64 109.48 1rii s THR 58 Ca -0.02 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.44 1rii s THR 58 Cb -0.14 -2.47 0.08 0.00 1.34 0.00 0.00 72.50 71.31 1rii s THR 58 CO 0.04 -0.15 0.34 -1.54 -0.54 0.00 0.00 174.62 172.77 1rii n SER 59 N -0.39 -0.81 -1.09 3.99 3.41 -1.24 -1.32 113.62 116.17 1rii n SER 59 Ca -0.02 -0.86 0.09 0.00 -0.26 0.00 0.00 58.87 57.82 1rii n SER 59 Cb 0.65 -0.29 0.26 0.00 -0.26 0.00 0.00 64.21 64.57 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 3.17 -4.71 1.04 4.77 -1.24 -4.36 117.00 115.66 1rii n LEU 60 Ca 0.05 -1.59 -0.35 0.00 -0.03 0.00 0.00 56.01 54.08 1rii n LEU 60 Cb 0.17 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.77 1rii n LEU 60 CO 0.12 0.74 -0.17 -0.76 -1.33 0.00 0.00 177.39 175.98 1rii s LEU 61 N -1.10 4.19 0.50 2.23 1.43 -1.26 -4.99 118.68 119.68 1rii s LEU 61 Ca 0.38 0.21 0.19 0.00 -1.03 0.00 0.00 54.13 53.89 1rii s LEU 61 Cb 0.21 -2.10 1.26 0.00 0.03 0.00 0.00 46.19 45.59 1rii s LEU 61 CO 0.24 0.15 2.05 0.08 0.23 0.00 0.00 176.35 179.11 1rii h ARG 62 N 6.85 0.10 -0.10 1.70 0.11 -1.84 -1.26 114.38 119.94 1rii h ARG 62 Ca -0.40 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 59.60 1rii h ARG 62 Cb 1.15 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.20 1rii h ARG 62 CO 0.74 0.06 -0.25 0.07 0.10 0.00 0.00 179.97 180.70 1rii h ARG 63 N 0.10 0.17 0.19 0.08 0.11 -1.90 0.58 114.38 113.71 1rii h ARG 63 Ca 0.16 -0.05 -0.27 0.00 0.10 0.00 0.00 59.98 59.93 1rii h ARG 63 Cb 0.52 -0.02 0.03 0.00 1.11 0.00 0.00 29.97 31.62 1rii h ARG 63 CO -0.02 0.41 -1.16 0.00 0.10 0.00 0.00 179.97 179.30 1rii h ALA 64 N 1.60 -0.12 -0.48 0.08 0.00 -1.61 -2.83 119.26 115.89 1rii h ALA 64 Ca 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1rii h ALA 64 Cb 0.52 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1rii h ALA 64 CO 0.04 0.55 0.22 0.82 0.00 0.00 0.00 179.25 180.87 1rii h ILE 65 N -0.07 1.20 -0.22 0.00 2.04 -0.90 -0.18 117.51 119.38 1rii h ILE 65 Ca -0.20 -0.57 -0.17 0.00 1.00 0.00 0.00 64.86 64.92 1rii h ILE 65 Cb 1.91 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1rii h ILE 65 CO 0.22 0.22 -0.54 0.74 0.00 0.00 0.00 178.15 178.79 1rii h THR 66 N 0.64 1.31 -0.59 -0.27 2.02 -1.04 -1.19 112.91 113.79 1rii h THR 66 Ca 0.16 -1.77 0.11 0.00 0.77 0.00 0.00 66.41 65.69 1rii h THR 66 Cb 0.14 1.72 -0.09 0.00 -1.74 0.00 0.00 68.15 68.19 1rii h THR 66 CO -0.02 0.56 0.09 0.74 0.37 0.00 0.00 175.52 177.26 1rii h THR 67 N 0.49 0.61 -0.17 3.16 2.02 -1.21 -0.99 112.91 116.84 1rii h THR 67 Ca 0.01 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1rii h THR 67 Cb 1.10 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1rii h THR 67 CO 0.11 0.04 0.10 0.00 0.37 0.00 0.00 175.52 176.14 1rii h ALA 68 N 1.49 0.21 -0.51 6.16 0.00 -0.71 -0.73 119.26 125.17 1rii h ALA 68 Ca 0.31 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1rii h ALA 68 Cb 0.47 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1rii h ALA 68 CO -0.42 -0.28 0.29 1.25 0.00 0.00 0.00 179.25 180.08 1rii h HIS 69 N 0.20 0.53 -0.38 0.00 6.17 -0.84 0.39 115.15 121.21 1rii h HIS 69 Ca 0.06 0.02 -0.13 0.00 0.71 0.00 0.00 60.37 61.03 1rii h HIS 69 Cb 0.02 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 29.77 1rii h HIS 69 CO -0.05 0.29 -0.29 -0.07 0.71 0.00 0.00 177.93 178.51 1rii h LEU 70 N 0.56 0.86 -0.25 0.26 3.38 -1.01 0.21 115.31 119.32 1rii h LEU 70 Ca 0.21 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1rii h LEU 70 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1rii h LEU 70 CO -0.12 1.09 -0.14 0.00 0.09 0.00 0.00 178.44 179.36 1rii h ALA 71 N 0.97 0.35 -0.26 1.53 0.00 -0.76 -1.85 119.26 119.24 1rii h ALA 71 Ca 0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1rii h ALA 71 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1rii h ALA 71 CO 0.07 0.24 -0.07 -0.07 0.00 0.00 0.00 179.25 179.42 1rii h LEU 72 N 0.26 0.39 -0.52 0.00 3.38 -0.78 -0.62 115.31 117.42 1rii h LEU 72 Ca 0.05 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1rii h LEU 72 Cb 0.66 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1rii h LEU 72 CO 0.04 0.50 -0.04 -0.78 0.09 0.00 0.00 178.44 178.25 1rii h ASP 73 N 0.39 0.94 0.84 -0.43 3.58 -0.78 0.11 116.42 121.08 1rii h ASP 73 Ca 0.08 -0.32 -0.08 0.00 0.42 0.00 0.00 57.03 57.12 1rii h ASP 73 Cb 0.37 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1rii h ASP 73 CO 0.02 1.04 -0.40 0.77 -2.88 0.00 0.00 179.24 177.79 1rii h SER 74 N 0.82 0.00 0.07 2.28 4.64 -0.84 -2.35 113.55 118.17 1rii h SER 74 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1rii h SER 74 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1rii h SER 74 CO 0.03 0.40 -0.02 0.00 -0.87 0.00 0.00 176.83 176.37 1rii n ALA 75 N -2.30 2.66 -3.71 5.18 0.00 -0.28 -4.63 120.51 117.42 1rii n ALA 75 Ca -0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 1rii n ALA 75 Cb 0.52 -1.36 0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.58 -5.53 -1.53 0.00 2.03 0.22 -4.91 116.55 106.26 1rii n ASP 76 Ca 0.20 -0.64 -0.03 0.00 0.52 0.00 0.00 54.79 54.85 1rii n ASP 76 Cb 0.23 -4.59 0.09 0.00 -0.72 0.00 0.00 41.12 36.13 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 -4.85 1.69 0.26 -0.67 5.12 -0.21 -4.86 116.66 113.14 1rii n ARG 77 Ca 0.00 -3.22 0.09 0.00 -1.93 0.00 0.00 57.85 52.80 1rii n ARG 77 Cb 0.55 -1.37 0.67 0.00 -1.16 0.00 0.00 32.46 31.16 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 1.54 0.00 0.00 0.55 5.85 -1.90 -2.94 115.31 118.42 1rii h LEU 78 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1rii h LEU 78 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1rii h LEU 78 CO 0.23 0.07 0.00 -2.67 -0.34 0.00 0.00 178.44 175.73 1rii n TRP 79 N -4.20 0.00 -1.65 1.25 4.27 -1.26 -4.89 117.44 110.97 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 -0.24 0.05 0.00 -1.36 0.00 0.00 31.31 29.91 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 -2.48 3.88 0.61 -1.67 -4.36 -1.11 -4.99 121.20 111.08 1rii s ILE 80 Ca 0.31 0.68 -0.17 0.00 -0.26 0.00 0.00 60.65 61.21 1rii s ILE 80 Cb 0.20 -3.33 -0.02 0.00 1.25 0.00 0.00 42.46 40.56 1rii s ILE 80 CO 0.44 -0.74 1.14 -2.84 0.24 0.00 0.00 174.94 173.19 1rii s PRO 81 N -4.79 2.97 0.02 0.37 0.02 -1.26 -4.86 135.00 127.48 1rii s PRO 81 Ca 0.60 1.59 0.01 0.00 0.02 0.00 0.00 61.00 63.22 1rii s PRO 81 Cb -0.15 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 1rii s PRO 81 CO 0.51 -1.15 -0.05 0.54 -0.33 0.00 0.00 177.00 176.52 1rii s VAL 82 N -1.95 0.28 -0.00 3.83 0.11 -1.26 -1.26 120.40 120.15 1rii s VAL 82 Ca 0.72 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1rii s VAL 82 Cb -0.24 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1rii s VAL 82 CO 0.35 -0.31 -0.09 -0.13 -3.33 0.00 0.00 175.10 171.59 1rii s ARG 83 N -1.14 0.69 0.08 1.54 1.81 0.04 -4.97 118.95 117.00 1rii s ARG 83 Ca -0.10 -0.35 0.09 0.00 -1.72 0.00 0.00 55.73 53.66 1rii s ARG 83 Cb -0.08 -0.66 -0.03 0.00 -0.45 0.00 0.00 34.95 33.73 1rii s ARG 83 CO -0.00 0.18 -0.24 1.03 -0.68 0.00 0.00 175.30 175.58 1rii s ARG 84 N -0.31 1.49 -0.10 3.54 0.52 -1.26 -1.76 118.95 121.06 1rii s ARG 84 Ca 0.03 -1.15 -0.13 0.00 -0.52 0.00 0.00 55.73 53.96 1rii s ARG 84 Cb -0.04 -1.76 0.03 0.00 0.52 0.00 0.00 34.95 33.71 1rii s ARG 84 CO -0.00 0.44 0.34 0.45 0.02 0.00 0.00 175.30 176.55 1rii s SER 85 N -1.56 -0.32 0.56 0.23 0.15 -0.43 -4.97 113.70 107.35 1rii s SER 85 Ca 0.11 0.54 0.26 0.00 0.70 0.00 0.00 55.95 57.56 1rii s SER 85 Cb -0.10 0.61 1.50 0.00 -1.71 0.00 0.00 66.02 66.32 1rii s SER 85 CO 0.03 -0.22 2.03 4.11 1.20 0.00 0.00 173.24 180.40 1rii h TRP 86 N 5.09 0.00 0.00 3.44 5.08 -1.90 -2.30 115.95 125.36 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 0.43 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.13 1rii n ARG 87 N -4.07 0.04 -0.00 0.12 1.74 -1.26 -0.89 116.66 112.34 1rii n ARG 87 Ca 0.05 0.27 0.12 0.00 -0.77 0.00 0.00 57.85 57.52 1rii n ARG 87 Cb 0.47 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.45 2.95 -4.72 0.55 4.32 -0.87 -4.20 117.00 113.59 1rii n LEU 88 Ca 0.04 -0.99 -0.35 0.00 -0.02 0.00 0.00 56.01 54.69 1rii n LEU 88 Cb 0.13 -0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.02 1rii n LEU 88 CO 0.11 0.49 0.83 0.20 -1.22 0.00 0.00 177.39 177.80 1rii s ASN 89 N -2.00 4.16 0.86 -1.43 -0.87 -0.07 -4.45 114.94 111.14 1rii s ASN 89 Ca 0.28 2.47 -0.15 0.00 -1.57 0.00 0.00 52.86 53.89 1rii s ASN 89 Cb 0.20 -2.60 -0.05 0.00 -0.02 0.00 0.00 41.25 38.78 1rii s ASN 89 CO 0.30 -2.30 0.06 1.21 -2.57 0.00 0.00 177.10 173.81 1rii n GLU 90 N -2.58 -0.01 -1.71 -0.60 4.07 -1.26 -4.50 120.64 114.05 1rii n GLU 90 Ca 0.14 0.03 -0.43 0.00 -0.06 0.00 0.00 57.16 56.84 1rii n GLU 90 Cb 0.49 -1.54 -0.02 0.00 -0.06 0.00 0.00 31.44 30.32 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 0.02 2.31 -2.36 5.31 0.00 -1.26 -4.75 116.66 115.93 1rii n ARG 91 Ca 0.05 0.82 -0.41 0.00 -0.00 0.00 0.00 57.85 58.31 1rii n ARG 91 Cb 0.53 -2.50 -0.03 0.00 0.00 0.00 0.00 32.46 30.45 1rii n ARG 91 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1rii s HIS 92 N -0.37 3.41 -1.40 -0.14 5.65 -1.26 -4.28 115.29 116.89 1rii s HIS 92 Ca 0.63 1.35 0.14 0.00 0.25 0.00 0.00 55.06 57.43 1rii s HIS 92 Cb -0.57 -3.46 0.53 0.00 -1.18 0.00 0.00 32.58 27.91 1rii s HIS 92 CO 0.53 -1.34 1.41 0.66 -0.65 0.00 0.00 174.74 175.35 1rii n TYR 93 N 2.95 1.04 -4.18 3.88 4.01 -1.26 -2.06 117.16 121.54 1rii n TYR 93 Ca 0.06 -0.43 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 1rii n TYR 93 Cb 0.45 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1rii n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rii n GLY 94 N 1.01 1.69 0.00 2.72 0.00 -1.25 -1.96 105.19 107.41 1rii n GLY 94 Ca 0.19 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 6.12 1.50 0.37 4.61 0.00 -0.19 -1.36 120.51 131.56 1rii n ALA 95 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1rii n ALA 95 Cb 0.00 -1.10 0.24 0.00 0.00 0.00 0.00 19.45 18.59 1rii n ALA 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rii h LEU 96 N 0.00 0.00 -9.49 0.00 3.38 -1.65 -3.46 115.31 104.09 1rii h LEU 96 Ca 0.00 -0.01 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1rii h LEU 96 Cb 0.05 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.85 1rii h LEU 96 CO 0.00 0.00 1.06 0.00 0.09 0.00 0.00 178.44 179.59 1rii n GLN 97 N -2.77 2.63 0.00 1.13 6.02 -0.46 -2.32 117.38 121.61 1rii n GLN 97 Ca 0.04 0.96 0.00 0.00 -0.01 0.00 0.00 57.00 57.99 1rii n GLN 97 Cb 0.49 -2.83 0.00 0.00 1.02 0.00 0.00 30.24 28.93 1rii n GLN 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rii n GLY 98 N 4.12 0.43 3.90 1.08 0.00 -0.35 -4.81 105.19 109.56 1rii n GLY 98 Ca 0.18 0.00 -0.31 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 4.25 0.09 0.99 1.02 -0.98 -4.86 118.68 119.19 1rii s LEU 99 Ca 0.00 0.60 -0.30 0.00 0.02 0.00 0.00 54.13 54.45 1rii s LEU 99 Cb 0.00 -3.33 -0.05 0.00 0.02 0.00 0.00 46.19 42.82 1rii s LEU 99 CO 0.00 0.03 1.02 -0.62 0.02 0.00 0.00 176.35 176.79 1rii s ASP 100 N -2.52 7.38 0.12 2.29 -1.08 -1.26 -1.21 116.67 120.39 1rii s ASP 100 Ca 0.41 1.84 -0.16 0.00 -0.52 0.00 0.00 52.55 54.12 1rii s ASP 100 Cb -0.12 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.73 1rii s ASP 100 CO 0.25 -0.19 1.60 0.11 0.52 0.00 0.00 175.17 177.46 1rii h LYS 101 N 5.94 0.60 -0.02 4.34 1.57 -1.55 -1.29 116.57 126.15 1rii h LYS 101 Ca -0.43 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.20 1rii h LYS 101 Cb 1.21 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1rii h LYS 101 CO 0.74 0.66 0.01 0.00 -0.57 0.00 0.00 179.45 180.28 1rii h ALA 102 N 0.91 0.02 -0.89 3.86 0.00 -1.93 0.40 119.26 121.63 1rii h ALA 102 Ca 0.11 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1rii h ALA 102 Cb 0.34 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1rii h ALA 102 CO 0.01 -0.38 0.58 0.93 0.00 0.00 0.00 179.25 180.38 1rii h GLU 103 N -0.16 0.85 -0.31 0.00 5.08 -1.92 0.05 114.58 118.17 1rii h GLU 103 Ca 0.01 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 1rii h GLU 103 Cb 0.20 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1rii h GLU 103 CO -0.00 0.56 -0.52 1.15 -1.00 0.00 0.00 179.01 179.21 1rii h THR 104 N 0.88 1.27 -0.34 1.13 2.02 -1.06 -2.92 112.91 113.89 1rii h THR 104 Ca 0.42 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1rii h THR 104 Cb 0.42 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1rii h THR 104 CO -0.18 0.56 0.21 0.50 0.37 0.00 0.00 175.52 176.98 1rii h LYS 105 N 0.70 0.45 -0.19 6.66 3.64 0.15 -1.64 116.57 126.33 1rii h LYS 105 Ca 0.02 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1rii h LYS 105 Cb 1.12 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.79 1rii h LYS 105 CO 0.12 0.31 -0.15 0.00 -2.27 0.00 0.00 179.45 177.46 1rii h ALA 106 N 1.11 -0.01 -0.21 5.00 0.00 -0.97 -0.23 119.26 123.94 1rii h ALA 106 Ca 0.12 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 1rii h ALA 106 Cb -0.03 0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rii h ALA 106 CO -0.02 -0.58 -0.68 -0.09 0.00 0.00 0.00 179.25 177.88 1rii h ARG 107 N -0.15 0.82 0.00 0.00 2.43 -1.48 -3.34 114.38 112.65 1rii h ARG 107 Ca 0.12 -0.60 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1rii h ARG 107 Cb 0.33 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1rii h ARG 107 CO -0.29 1.21 -1.91 0.66 -1.51 0.00 0.00 179.97 178.14 1rii n TYR 108 N -3.96 0.09 0.00 2.20 4.01 -0.62 -5.09 117.16 113.78 1rii n TYR 108 Ca -0.06 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1rii n TYR 108 Cb 0.69 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.25 2.29 0.34 2.72 0.00 -0.10 -4.45 105.19 107.24 1rii n GLY 109 Ca -0.04 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.77 -0.49 1.61 5.08 -1.94 -2.24 114.58 115.84 1rii h GLU 110 Ca 0.00 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1rii h GLU 110 Cb 0.00 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1rii h GLU 110 CO 0.00 -0.47 0.16 0.93 -1.00 0.00 0.00 179.01 178.64 1rii h GLU 111 N -1.13 0.32 -0.54 2.33 4.39 -1.97 0.10 114.58 118.09 1rii h GLU 111 Ca -0.08 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1rii h GLU 111 Cb 0.65 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1rii h GLU 111 CO 0.13 0.21 0.24 0.37 -1.16 0.00 0.00 179.01 178.81 1rii h GLN 112 N 0.33 0.79 -0.45 2.33 5.75 -1.77 -0.77 115.11 121.32 1rii h GLN 112 Ca 0.24 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1rii h GLN 112 Cb 0.26 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1rii h GLN 112 CO -0.25 0.67 0.25 0.35 -2.65 0.00 0.00 178.83 177.20 1rii h PHE 113 N 0.73 0.45 0.00 3.99 3.57 -0.63 -1.54 116.94 123.51 1rii h PHE 113 Ca 0.18 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 1rii h PHE 113 Cb 0.16 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1rii h PHE 113 CO 0.00 0.25 -0.48 0.52 -2.23 0.00 0.00 178.31 176.37 1rii h MET 114 N 0.49 0.00 -0.48 1.11 2.86 -0.71 -2.60 114.93 115.60 1rii h MET 114 Ca 0.19 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.77 1rii h MET 114 Cb 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1rii h MET 114 CO -0.11 0.48 0.07 0.00 1.06 0.00 0.00 176.91 178.40 1rii h ALA 115 N 1.52 0.64 -0.12 6.32 0.00 -0.53 -2.56 119.26 124.53 1rii h ALA 115 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rii h ALA 115 Cb 1.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1rii h ALA 115 CO 0.06 0.38 0.07 -1.49 0.00 0.00 0.00 179.25 178.27 1rii h TRP 116 N 0.68 0.17 0.00 0.00 6.55 -1.19 0.32 115.95 122.47 1rii h TRP 116 Ca 0.15 -0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.91 1rii h TRP 116 Cb 0.41 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.65 1rii h TRP 116 CO 0.03 0.18 -0.33 -0.09 -1.05 0.00 0.00 178.44 177.18 1rii h ARG 117 N 0.10 0.00 0.00 0.49 2.43 -1.44 -3.39 114.38 112.57 1rii h ARG 117 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1rii h ARG 117 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1rii h ARG 117 CO -0.01 0.33 -0.15 0.54 -1.51 0.00 0.00 179.97 179.18 1rii n ARG 118 N -4.11 3.09 -1.68 0.20 5.12 -0.97 -5.03 116.66 113.28 1rii n ARG 118 Ca -0.02 0.00 -0.50 0.00 -1.93 0.00 0.00 57.85 55.40 1rii n ARG 118 Cb 0.38 -0.39 -0.05 0.00 -1.16 0.00 0.00 32.46 31.23 1rii n ARG 118 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1rii n SER 119 N -0.40 3.16 -0.37 0.55 2.88 0.11 -4.85 113.62 114.69 1rii n SER 119 Ca 0.00 1.01 -0.02 0.00 -1.33 0.00 0.00 58.87 58.53 1rii n SER 119 Cb 0.00 -1.33 0.12 0.00 -0.75 0.00 0.00 64.21 62.25 1rii n SER 119 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1rii h TYR 120 N 8.33 1.26 -0.00 0.66 3.20 -1.92 -3.29 116.97 125.21 1rii h TYR 120 Ca -0.48 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1rii h TYR 120 Cb 1.28 -0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1rii h TYR 120 CO 0.82 0.79 -0.23 -0.25 -1.64 0.00 0.00 178.16 177.66 1rii n ASP 121 N -4.38 0.62 -4.28 -2.11 8.00 -1.26 -1.30 116.55 111.84 1rii n ASP 121 Ca 0.12 -0.81 -0.36 0.00 0.71 0.00 0.00 54.79 54.44 1rii n ASP 121 Cb 0.01 0.75 -0.13 0.00 -0.02 0.00 0.00 41.12 41.73 1rii n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rii s THR 122 N -1.35 3.58 0.64 -3.53 2.01 -1.24 -4.92 115.64 110.83 1rii s THR 122 Ca 0.04 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 61.03 1rii s THR 122 Cb 0.05 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 1rii s THR 122 CO 0.22 0.05 1.03 -2.16 -0.69 0.00 0.00 174.62 173.07 1rii s PRO 123 N 1.42 3.18 1.08 4.92 0.04 -1.26 -4.64 135.00 139.74 1rii s PRO 123 Ca 0.01 0.49 -0.13 0.00 0.04 0.00 0.00 61.00 61.41 1rii s PRO 123 Cb -0.18 -2.10 0.24 0.00 0.04 0.00 0.00 34.50 32.50 1rii s PRO 123 CO 0.00 -0.76 1.06 -2.14 0.04 0.00 0.00 177.00 175.20 1rii s PRO 124 N -5.20 -0.27 0.72 0.56 0.02 -1.26 -4.95 135.00 124.61 1rii s PRO 124 Ca 0.56 0.72 -0.14 0.00 0.02 0.00 0.00 61.00 62.15 1rii s PRO 124 Cb -0.11 -1.64 0.03 0.00 0.02 0.00 0.00 34.50 32.81 1rii s PRO 124 CO 0.51 -3.26 1.16 -1.25 -0.33 0.00 0.00 177.00 173.84 1rii s PRO 125 N -4.69 2.30 0.38 5.54 0.04 -1.26 -4.76 135.00 132.55 1rii s PRO 125 Ca 0.67 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 63.03 1rii s PRO 125 Cb -0.22 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1rii s PRO 125 CO 0.61 -1.67 1.23 -1.25 0.04 0.00 0.00 177.00 175.96 1rii s PRO 126 N -4.08 4.12 0.64 0.56 0.04 -1.26 -1.02 135.00 134.00 1rii s PRO 126 Ca 0.70 2.00 -0.14 0.00 0.04 0.00 0.00 61.00 63.61 1rii s PRO 126 Cb -0.25 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 1rii s PRO 126 CO 0.45 -0.31 1.06 -1.50 0.04 0.00 0.00 177.00 176.74 1rii s ILE 127 N -1.30 3.79 -0.20 0.56 2.07 -0.17 -3.99 121.20 121.97 1rii s ILE 127 Ca 0.55 0.74 -0.29 0.00 -1.41 0.00 0.00 60.65 60.24 1rii s ILE 127 Cb -0.35 -3.33 0.00 0.00 0.13 0.00 0.00 42.46 38.92 1rii s ILE 127 CO 0.44 -0.60 1.11 -0.70 -1.91 0.00 0.00 174.94 173.28 1rii s GLU 128 N -4.43 4.26 0.26 3.50 2.12 -1.26 -4.89 118.70 118.26 1rii s GLU 128 Ca 0.62 1.46 -0.29 0.00 0.36 0.00 0.00 54.97 57.12 1rii s GLU 128 Cb -0.16 -3.67 -0.14 0.00 0.26 0.00 0.00 34.13 30.42 1rii s GLU 128 CO 0.44 -0.63 1.06 0.54 -0.54 0.00 0.00 175.26 176.13 1rii n ARG 129 N 6.32 1.33 -0.30 4.30 1.74 -1.26 -1.46 116.66 127.32 1rii n ARG 129 Ca 0.12 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1rii n ARG 129 Cb 0.46 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1rii n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rii n GLY 130 N 1.46 2.23 3.89 -0.13 0.00 -1.26 -5.00 105.19 106.39 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 -3.59 4.32 0.27 1.61 1.04 -0.53 -4.94 113.70 111.89 1rii s SER 131 Ca 0.00 0.78 -0.01 0.00 0.48 0.00 0.00 55.95 57.21 1rii s SER 131 Cb 0.00 -1.26 0.51 0.00 0.10 0.00 0.00 66.02 65.37 1rii s SER 131 CO 0.00 -2.02 1.81 -0.61 0.98 0.00 0.00 173.24 173.40 1rii h GLN 132 N -1.14 0.82 -0.60 4.02 4.15 -1.94 -2.38 115.11 118.03 1rii h GLN 132 Ca -0.46 -0.05 -0.27 0.00 0.77 0.00 0.00 58.65 58.63 1rii h GLN 132 Cb 1.33 -0.18 -0.16 0.00 0.21 0.00 0.00 27.48 28.67 1rii h GLN 132 CO 0.64 0.54 0.21 1.19 -1.93 0.00 0.00 178.83 179.48 1rii n PHE 133 N -4.72 1.89 -4.02 3.99 3.72 -1.26 -4.97 117.46 112.09 1rii n PHE 133 Ca 0.17 -1.54 -0.34 0.00 -0.05 0.00 0.00 57.45 55.69 1rii n PHE 133 Cb 0.36 -0.65 -0.06 0.00 -0.94 0.00 0.00 39.48 38.19 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 -1.87 6.00 0.00 4.37 0.15 -0.90 -4.79 113.70 116.66 1rii s SER 134 Ca 0.50 0.28 0.19 0.00 0.70 0.00 0.00 55.95 57.62 1rii s SER 134 Cb 0.43 -1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 62.89 1rii s SER 134 CO 0.06 0.32 0.96 0.00 1.20 0.00 0.00 173.24 175.77 1rii n GLN 135 N 1.43 1.41 0.20 5.44 3.00 -1.26 -4.65 117.38 122.96 1rii n GLN 135 Ca -0.15 -0.83 0.18 0.00 -0.01 0.00 0.00 57.00 56.19 1rii n GLN 135 Cb 0.53 -1.38 0.80 0.00 0.00 0.00 0.00 30.24 30.20 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 1.95 0.00 -0.40 1.08 2.03 -1.92 0.03 116.42 119.19 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 0.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1rii h ASP 136 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1rii n ALA 137 N -2.18 2.29 -2.38 4.15 0.00 -1.26 -4.26 120.51 116.87 1rii n ALA 137 Ca 0.03 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 51.96 1rii n ALA 137 Cb 0.46 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.06 7.01 0.54 0.00 -1.08 -0.00 -4.90 116.67 117.18 1rii s ASP 138 Ca 0.30 2.00 0.24 0.00 -0.52 0.00 0.00 52.55 54.57 1rii s ASP 138 Cb 0.16 -2.57 1.41 0.00 -1.46 0.00 0.00 42.92 40.46 1rii s ASP 138 CO 0.21 -0.56 2.02 -0.65 0.52 0.00 0.00 175.17 176.72 1rii h PRO 139 N 7.17 0.00 0.00 4.34 0.11 -1.93 -1.63 132.00 140.07 1rii h PRO 139 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1rii h PRO 139 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1rii h PRO 139 CO 0.85 0.00 0.00 0.07 -0.21 0.00 0.00 178.00 178.71 1rii h ARG 140 N 0.00 0.00 -0.29 1.05 0.11 -1.94 -0.19 114.38 113.11 1rii h ARG 140 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 1rii h ARG 140 Cb 0.83 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.91 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 -2.58 0.64 -0.30 4.08 4.01 -0.61 -4.66 117.16 117.73 1rii n TYR 141 Ca -0.01 -0.67 0.03 0.00 -0.16 0.00 0.00 57.90 57.09 1rii n TYR 141 Cb 0.10 -0.15 0.17 0.00 -0.31 0.00 0.00 39.34 39.15 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 1.81 1.21 0.00 -0.72 0.00 -1.07 0.41 119.26 120.90 1rii h ALA 142 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rii h ALA 142 Cb 1.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1rii h ALA 142 CO 0.09 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.24 1rii n ASP 143 N -4.71 0.53 -1.25 0.00 8.00 -1.26 -1.57 116.55 116.30 1rii n ASP 143 Ca 0.14 0.61 -0.00 0.00 0.71 0.00 0.00 54.79 56.25 1rii n ASP 143 Cb 0.26 -0.73 0.24 0.00 -0.02 0.00 0.00 41.12 40.87 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 -2.07 2.54 -1.70 0.53 -5.35 -0.65 -4.95 119.36 107.72 1rii n ILE 144 Ca 0.03 -2.16 -0.12 0.00 -0.27 0.00 0.00 62.75 60.23 1rii n ILE 144 Cb 0.25 -0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 37.81 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 -0.72 0.73 1.88 3.28 0.00 -0.61 -2.27 105.19 107.48 1rii n GLY 145 Ca 0.31 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.32 1.96 1.29 -0.02 0.00 0.04 -4.96 105.19 102.20 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 -2.78 3.84 -0.02 0.00 -0.96 -3.95 105.19 99.32 1rii n GLY 147 Ca 0.00 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.55 3.38 0.00 1.61 0.04 -1.26 -4.96 135.00 133.26 1rii s PRO 148 Ca 0.00 0.90 0.24 0.00 0.04 0.00 0.00 61.00 62.17 1rii s PRO 148 Cb 0.00 -2.05 0.20 0.00 0.04 0.00 0.00 34.50 32.69 1rii s PRO 148 CO 0.00 -0.74 1.24 1.28 0.04 0.00 0.00 177.00 178.82 1rii n LEU 149 N -2.66 2.33 0.00 -3.56 4.77 -1.26 -4.93 117.00 111.69 1rii n LEU 149 Ca 0.07 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1rii n LEU 149 Cb 0.54 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1rii n LEU 149 CO 0.55 0.41 0.00 1.07 -1.33 0.00 0.00 177.39 178.08 1rii n THR 150 N 0.52 0.00 -3.78 -5.08 5.66 -1.26 -1.00 114.28 109.35 1rii n THR 150 Ca 0.12 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.99 1rii n THR 150 Cb 0.51 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.18 1rii n THR 150 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1rii s GLU 151 N -2.00 0.41 0.41 1.09 2.02 -0.87 -4.89 118.70 114.87 1rii s GLU 151 Ca 0.00 0.25 0.07 0.00 0.02 0.00 0.00 54.97 55.31 1rii s GLU 151 Cb 0.00 0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.43 1rii s GLU 151 CO 0.00 -0.07 0.56 0.00 0.02 0.00 0.00 175.26 175.77 1rii h LEU 153 N 0.65 0.86 -0.90 0.00 5.85 -1.73 -1.66 115.31 118.39 1rii h LEU 153 Ca -0.41 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.42 1rii h LEU 153 Cb 1.28 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 1rii h LEU 153 CO 0.47 0.58 0.53 0.00 -0.34 0.00 0.00 178.44 179.68 1rii h ALA 154 N 1.53 1.33 -0.72 1.25 0.00 -1.52 0.71 119.26 121.84 1rii h ALA 154 Ca 0.35 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1rii h ALA 154 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1rii h ALA 154 CO -0.11 0.10 0.37 -0.44 0.00 0.00 0.00 179.25 179.17 1rii h ASP 155 N 0.83 0.93 -0.42 0.00 3.32 -1.59 -1.52 116.42 117.96 1rii h ASP 155 Ca 0.45 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.27 1rii h ASP 155 Cb 0.48 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1rii h ASP 155 CO -0.28 0.78 -0.20 0.58 -1.72 0.00 0.00 179.24 178.40 1rii h VAL 156 N 1.00 1.28 -0.82 -1.35 2.07 -0.78 -2.20 116.25 115.45 1rii h VAL 156 Ca 0.25 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.44 1rii h VAL 156 Cb 0.08 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1rii h VAL 156 CO -0.04 0.45 0.54 0.58 0.02 0.00 0.00 177.57 179.13 1rii h VAL 157 N 0.71 1.20 -0.42 2.57 2.07 -0.74 0.99 116.25 122.63 1rii h VAL 157 Ca 0.10 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1rii h VAL 157 Cb 0.76 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1rii h VAL 157 CO 0.06 0.20 -0.10 0.00 0.02 0.00 0.00 177.57 177.75 1rii h ALA 158 N 1.30 1.03 0.00 1.67 0.00 -0.94 -2.61 119.26 119.71 1rii h ALA 158 Ca 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rii h ALA 158 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1rii h ALA 158 CO -0.07 0.59 -1.00 2.89 0.00 0.00 0.00 179.25 181.66 1rii n ARG 159 N -4.17 0.41 0.03 0.00 -4.01 -0.86 -4.14 116.66 103.92 1rii n ARG 159 Ca 0.01 0.04 -0.20 0.00 -1.04 0.00 0.00 57.85 56.66 1rii n ARG 159 Cb 0.36 -1.67 -0.14 0.00 -3.04 0.00 0.00 32.46 27.96 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 0.49 -0.58 2.89 3.57 -0.76 -3.39 116.94 119.17 1rii h PHE 160 Ca 0.00 -0.36 0.01 0.00 3.53 0.00 0.00 57.97 61.15 1rii h PHE 160 Cb 0.83 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1rii h PHE 160 CO 0.00 1.38 0.38 1.25 -2.23 0.00 0.00 178.31 179.10 1rii h LEU 161 N -0.38 0.65 -2.00 0.59 5.85 -1.62 -1.57 115.31 116.83 1rii h LEU 161 Ca -0.19 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1rii h LEU 161 Cb 1.66 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1rii h LEU 161 CO 0.11 0.46 0.12 -0.65 -0.34 0.00 0.00 178.44 178.15 1rii h PRO 162 N 0.76 0.00 0.07 5.25 0.11 -1.76 -0.90 132.00 135.53 1rii h PRO 162 Ca 0.22 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.07 1rii h PRO 162 Cb -0.06 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.08 1rii h PRO 162 CO -0.05 0.00 -1.02 -0.92 -0.21 0.00 0.00 178.00 175.80 1rii h TYR 163 N 0.00 0.90 -0.08 0.65 3.20 -1.52 -1.93 116.97 118.19 1rii h TYR 163 Ca 0.08 -0.54 0.02 0.00 3.14 0.00 0.00 58.73 61.43 1rii h TYR 163 Cb 0.32 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1rii h TYR 163 CO 0.00 1.38 -0.06 0.35 -1.64 0.00 0.00 178.16 178.19 1rii h PHE 164 N 0.17 -0.14 -0.24 -3.82 3.57 -1.13 -0.17 116.94 115.17 1rii h PHE 164 Ca -0.15 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.17 1rii h PHE 164 Cb 1.71 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.53 1rii h PHE 164 CO 0.13 -0.09 -0.61 1.79 -2.23 0.00 0.00 178.31 177.30 1rii h THR 165 N -0.07 1.28 0.00 4.41 1.35 -1.21 0.19 112.91 118.86 1rii h THR 165 Ca 0.05 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.11 1rii h THR 165 Cb 0.14 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1rii h THR 165 CO -0.12 0.58 -0.84 0.47 -0.25 0.00 0.00 175.52 175.36 1rii n ASP 166 N -3.98 0.71 0.04 5.36 9.92 -0.73 -4.30 116.55 123.57 1rii n ASP 166 Ca -0.05 0.09 -0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1rii n ASP 166 Cb 0.66 0.42 -0.00 0.00 -0.64 0.00 0.00 41.12 41.56 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 -2.22 1.20 -0.04 2.53 0.31 -0.09 -4.83 118.33 115.18 1rii n VAL 167 Ca 0.02 0.38 -0.15 0.00 -0.01 0.00 0.00 64.34 64.58 1rii n VAL 167 Cb 0.47 -1.61 -0.08 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 -0.03 1.36 -0.87 2.52 2.04 -1.28 -3.26 117.51 117.99 1rii h ILE 168 Ca -0.00 -1.73 0.14 0.00 1.00 0.00 0.00 64.86 64.27 1rii h ILE 168 Cb 0.07 2.08 -0.09 0.00 -0.74 0.00 0.00 36.82 38.15 1rii h ILE 168 CO -0.00 0.52 0.47 0.58 0.00 0.00 0.00 178.15 179.72 1rii h VAL 169 N 0.15 0.77 -0.04 1.67 2.07 -1.15 -0.99 116.25 118.73 1rii h VAL 169 Ca -0.02 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1rii h VAL 169 Cb 1.06 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1rii h VAL 169 CO 0.09 0.13 -0.13 1.23 0.02 0.00 0.00 177.57 178.91 1rii h GLY 170 N 0.69 0.06 0.86 2.17 0.00 -1.78 0.21 103.07 105.28 1rii h GLY 170 Ca 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 1rii h GLY 170 CO -0.34 0.03 0.05 -0.55 0.00 0.00 0.00 176.54 175.74 1rii h ASP 171 N 0.05 0.28 -0.72 0.19 3.32 -1.28 -2.89 116.42 115.38 1rii h ASP 171 Ca 0.01 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1rii h ASP 171 Cb 0.27 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1rii h ASP 171 CO 0.02 0.42 0.43 -0.07 -1.72 0.00 0.00 179.24 178.31 1rii h LEU 172 N 0.12 0.88 -1.51 1.55 3.38 -0.79 -2.37 115.31 116.58 1rii h LEU 172 Ca 0.06 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1rii h LEU 172 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1rii h LEU 172 CO -0.00 0.69 -0.12 -0.09 0.09 0.00 0.00 178.44 179.00 1rii h ARG 173 N 1.01 0.17 -0.57 1.13 9.65 -0.53 0.25 114.38 125.49 1rii h ARG 173 Ca 0.26 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 1rii h ARG 173 Cb -0.02 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1rii h ARG 173 CO -0.05 0.30 0.00 1.33 2.80 0.00 0.00 179.97 184.35 1rii n VAL 174 N -4.31 0.86 -0.22 0.20 0.24 -1.03 -4.39 118.33 109.68 1rii n VAL 174 Ca -0.01 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 1rii n VAL 174 Cb 0.24 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 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 1.30 0.89 3.76 7.63 0.00 -0.57 -4.72 105.19 113.48 1rii n GLY 175 Ca 0.19 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.77 4.58 -0.30 1.61 1.02 -0.92 -4.27 119.74 120.69 1rii s LYS 176 Ca 0.00 1.87 -0.29 0.00 0.02 0.00 0.00 55.97 57.57 1rii s LYS 176 Cb 0.00 -3.18 0.01 0.00 -0.52 0.00 0.00 37.83 34.14 1rii s LYS 176 CO 0.00 0.12 1.24 0.99 -0.92 0.00 0.00 175.35 176.78 1rii s THR 177 N -1.05 4.24 -0.14 2.17 2.01 -1.26 -3.68 115.64 117.92 1rii s THR 177 Ca 0.46 1.41 -0.04 0.00 0.31 0.00 0.00 61.69 63.83 1rii s THR 177 Cb -0.33 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 1rii s THR 177 CO 0.42 -0.47 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.18 1rii s VAL 178 N 4.15 4.11 -0.22 3.82 1.01 -0.25 -0.00 120.40 133.02 1rii s VAL 178 Ca 0.53 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1rii s VAL 178 Cb -0.16 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1rii s VAL 178 CO 0.21 0.51 -0.02 -0.22 0.00 0.00 0.00 175.10 175.58 1rii s LEU 179 N 0.09 3.06 -0.24 3.92 2.96 -0.72 -0.14 118.68 127.61 1rii s LEU 179 Ca 0.01 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 1rii s LEU 179 Cb -0.13 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1rii s LEU 179 CO 0.02 0.01 0.03 -0.63 -1.32 0.00 0.00 176.35 174.46 1rii s ILE 180 N 1.32 3.97 -0.31 6.68 1.01 -0.31 -1.06 121.20 132.51 1rii s ILE 180 Ca 0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 1rii s ILE 180 Cb -0.14 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.50 1rii s ILE 180 CO -0.01 0.36 0.07 -0.69 0.00 0.00 0.00 174.94 174.67 1rii s VAL 181 N 1.56 3.66 0.00 2.92 1.01 -0.41 -0.99 120.40 128.16 1rii s VAL 181 Ca 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1rii s VAL 181 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1rii s VAL 181 CO 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.08 1rii n ALA 182 N 4.80 0.00 -2.39 5.51 0.00 -0.52 -3.73 120.51 124.17 1rii n ALA 182 Ca -0.14 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 1rii n ALA 182 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 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 1.21 1.77 0.11 0.00 3.76 -1.26 -2.76 115.29 118.12 1rii s HIS 183 Ca 0.00 -1.05 -0.32 0.00 -0.15 0.00 0.00 55.06 53.54 1rii s HIS 183 Cb 0.00 -1.11 -0.12 0.00 1.11 0.00 0.00 32.58 32.46 1rii s HIS 183 CO 0.00 -0.14 1.52 0.78 -0.85 0.00 0.00 174.74 176.04 1rii h GLY 184 N 2.24 -1.11 1.79 -2.22 0.00 -1.94 -1.13 103.07 100.69 1rii h GLY 184 Ca -0.40 0.69 -0.15 0.00 0.00 0.00 0.00 47.33 47.48 1rii h GLY 184 CO 0.66 -0.21 -0.63 3.43 0.00 0.00 0.00 176.54 179.79 1rii h ASN 185 N -0.51 0.25 0.48 0.19 2.35 -1.96 -1.06 115.58 115.32 1rii h ASN 185 Ca 0.04 -0.15 -0.19 0.00 -0.55 0.00 0.00 56.30 55.45 1rii h ASN 185 Cb 0.62 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1rii h ASN 185 CO -0.45 0.81 -0.83 0.77 -1.65 0.00 0.00 177.43 176.09 1rii h SER 186 N 0.16 0.32 0.27 5.81 4.64 -1.75 0.16 113.55 123.16 1rii h SER 186 Ca -0.01 -0.24 -0.20 0.00 -0.47 0.00 0.00 61.79 60.87 1rii h SER 186 Cb 1.14 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1rii h SER 186 CO 0.10 1.02 -0.79 -0.07 -0.87 0.00 0.00 176.83 176.21 1rii h LEU 187 N 0.15 0.50 -1.13 5.97 3.38 -1.17 -1.67 115.31 121.34 1rii h LEU 187 Ca -0.04 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 1rii h LEU 187 Cb 1.44 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1rii h LEU 187 CO 0.13 1.11 0.04 0.03 0.09 0.00 0.00 178.44 179.84 1rii h ARG 188 N 0.27 0.65 -0.76 1.13 3.08 -1.03 0.01 114.38 117.74 1rii h ARG 188 Ca -0.04 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1rii h ARG 188 Cb 1.38 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.30 1rii h ARG 188 CO 0.14 0.64 0.44 0.00 -1.07 0.00 0.00 179.97 180.12 1rii h ALA 189 N 1.42 0.97 -0.31 0.04 0.00 -0.38 -0.81 119.26 120.19 1rii h ALA 189 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1rii h ALA 189 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rii h ALA 189 CO 0.01 0.45 0.02 1.25 0.00 0.00 0.00 179.25 180.98 1rii h LEU 190 N 1.04 0.51 -0.92 0.00 5.85 -0.69 -2.86 115.31 118.24 1rii h LEU 190 Ca 0.27 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1rii h LEU 190 Cb -0.01 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1rii h LEU 190 CO -0.05 0.67 0.56 0.58 -0.34 0.00 0.00 178.44 179.87 1rii h VAL 191 N 0.34 1.25 -0.97 1.05 2.07 -0.85 0.15 116.25 119.29 1rii h VAL 191 Ca 0.09 -0.54 0.13 0.00 0.82 0.00 0.00 66.70 67.21 1rii h VAL 191 Cb 0.39 -0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.02 1rii h VAL 191 CO 0.01 0.26 0.59 0.50 0.02 0.00 0.00 177.57 178.95 1rii h LYS 192 N 1.27 0.86 0.04 1.57 3.64 -1.04 -1.25 116.57 121.67 1rii h LYS 192 Ca 0.33 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.53 1rii h LYS 192 Cb -0.07 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1rii h LYS 192 CO -0.06 0.57 -0.55 1.25 -2.27 0.00 0.00 179.45 178.39 1rii h HIS 193 N 0.89 0.46 -0.17 1.91 2.76 -0.95 0.17 115.15 120.22 1rii h HIS 193 Ca 0.50 -0.28 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1rii h HIS 193 Cb 0.58 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1rii h HIS 193 CO -0.02 1.14 0.10 -0.07 -1.30 0.00 0.00 177.93 177.78 1rii h LEU 194 N -0.34 0.20 -1.31 0.26 3.38 -0.44 -2.81 115.31 114.25 1rii h LEU 194 Ca -0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1rii h LEU 194 Cb 1.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1rii h LEU 194 CO 0.11 0.20 0.00 0.47 0.09 0.00 0.00 178.44 179.30 1rii n ASP 195 N -4.94 1.99 -3.87 -0.43 8.00 -0.50 -4.34 116.55 112.46 1rii n ASP 195 Ca -0.04 -1.73 -0.26 0.00 0.71 0.00 0.00 54.79 53.47 1rii n ASP 195 Cb 0.05 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.12 41.05 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 0.54 -3.07 -2.71 -1.24 1.13 -0.51 -4.92 117.38 106.59 1rii n GLN 196 Ca 0.17 0.44 -0.34 0.00 -1.94 0.00 0.00 57.00 55.32 1rii n GLN 196 Cb 0.39 -4.51 -0.06 0.00 0.11 0.00 0.00 30.24 26.18 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 -6.38 4.19 0.75 -1.09 -1.94 0.47 -5.02 119.30 110.28 1rii s MET 197 Ca 0.10 1.27 -0.11 0.00 -1.71 0.00 0.00 55.69 55.24 1rii s MET 197 Cb -0.04 -2.33 0.04 0.00 2.01 0.00 0.00 34.83 34.51 1rii s MET 197 CO 0.87 -0.08 1.08 -1.54 -0.01 0.00 0.00 175.02 175.35 1rii s SER 198 N -1.94 4.74 0.23 3.03 1.04 -1.26 -4.85 113.70 114.70 1rii s SER 198 Ca 0.60 1.74 -0.06 0.00 0.48 0.00 0.00 55.95 58.71 1rii s SER 198 Cb -0.14 -2.49 0.41 0.00 0.10 0.00 0.00 66.02 63.90 1rii s SER 198 CO 0.19 -1.87 1.70 0.44 0.98 0.00 0.00 173.24 174.68 1rii h ASP 199 N -1.01 0.06 -0.29 7.02 5.19 -1.99 -1.37 116.42 124.03 1rii h ASP 199 Ca -0.44 0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.07 1rii h ASP 199 Cb 1.23 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 1rii h ASP 199 CO 0.53 0.01 0.05 0.44 -3.12 0.00 0.00 179.24 177.15 1rii h ASP 200 N 0.30 0.46 -0.71 6.45 5.19 -2.02 -3.10 116.42 122.99 1rii h ASP 200 Ca 0.38 -0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 1rii h ASP 200 Cb 0.62 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 1rii h ASP 200 CO -0.46 0.60 0.23 -0.08 -3.12 0.00 0.00 179.24 176.41 1rii h GLU 201 N 0.30 1.10 0.00 3.56 4.81 -1.77 -2.81 114.58 119.77 1rii h GLU 201 Ca 0.09 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1rii h GLU 201 Cb 0.34 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1rii h GLU 201 CO 0.01 0.94 0.00 -0.84 -0.73 0.00 0.00 179.01 178.38 1rii h ILE 202 N 1.06 0.00 0.00 2.32 -0.00 -1.20 -2.29 117.51 117.40 1rii h ILE 202 Ca 0.23 -0.44 -0.06 0.00 -0.00 0.00 0.00 64.86 64.60 1rii h ILE 202 Cb 0.29 1.33 -0.01 0.00 -0.00 0.00 0.00 36.82 38.44 1rii h ILE 202 CO -0.01 0.00 -0.27 0.58 -0.00 0.00 0.00 178.15 178.45 1rii h VAL 203 N 0.00 0.90 0.00 0.16 2.07 -1.47 -1.81 116.25 116.11 1rii h VAL 203 Ca 0.00 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1rii h VAL 203 Cb 0.59 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1rii h VAL 203 CO 0.00 0.26 -0.07 0.61 0.02 0.00 0.00 177.57 178.39 1rii n GLY 204 N -0.39 -1.65 3.70 2.17 0.00 -0.86 -4.89 105.19 103.26 1rii n GLY 204 Ca -0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.32 4.34 -0.11 0.99 2.96 -0.68 -5.03 118.68 116.83 1rii s LEU 205 Ca 0.11 2.04 0.03 0.00 -0.22 0.00 0.00 54.13 56.09 1rii s LEU 205 Cb 0.13 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1rii s LEU 205 CO 0.60 -0.58 -0.23 0.20 -1.32 0.00 0.00 176.35 175.02 1rii s ASN 206 N 1.37 3.17 -0.22 3.68 0.01 -1.26 -5.07 114.94 116.62 1rii s ASN 206 Ca 0.60 -0.55 -0.07 0.00 -0.71 0.00 0.00 52.86 52.14 1rii s ASN 206 Cb -0.30 -1.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.90 1rii s ASN 206 CO 0.27 0.15 0.06 -0.63 -1.51 0.00 0.00 177.10 175.44 1rii s ILE 207 N 0.41 4.38 0.53 0.60 -1.09 -1.26 -4.79 121.20 119.98 1rii s ILE 207 Ca -0.17 -0.16 -0.19 0.00 -2.23 0.00 0.00 60.65 57.90 1rii s ILE 207 Cb -0.17 -3.02 -0.06 0.00 -1.58 0.00 0.00 42.46 37.62 1rii s ILE 207 CO 0.07 0.38 1.08 -2.16 -1.23 0.00 0.00 174.94 173.09 1rii s PRO 208 N 1.20 3.49 0.50 2.79 0.04 -1.26 -4.89 135.00 136.87 1rii s PRO 208 Ca 0.04 1.45 -0.18 0.00 0.04 0.00 0.00 61.00 62.36 1rii s PRO 208 Cb -0.14 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 1rii s PRO 208 CO 0.03 -0.71 0.99 0.95 0.04 0.00 0.00 177.00 178.30 1rii s THR 209 N -1.97 4.41 0.00 1.26 -4.23 -1.26 -4.25 115.64 109.60 1rii s THR 209 Ca 0.69 1.25 0.00 0.00 -1.18 0.00 0.00 61.69 62.45 1rii s THR 209 Cb -0.20 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1rii s THR 209 CO 0.26 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1rii n GLY 210 N -1.26 2.66 3.11 3.99 0.00 -0.12 -4.96 105.19 108.61 1rii n GLY 210 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.91 2.42 0.39 -0.61 1.09 -1.26 -4.34 121.20 115.97 1rii s ILE 211 Ca 0.00 -1.48 -0.27 0.00 -1.10 0.00 0.00 60.65 57.80 1rii s ILE 211 Cb 0.00 -2.37 -0.11 0.00 -1.06 0.00 0.00 42.46 38.92 1rii s ILE 211 CO 0.00 0.01 1.39 -2.65 -0.10 0.00 0.00 174.94 173.59 1rii n PRO 212 N 4.51 2.35 -3.89 2.79 -0.02 -1.26 -4.74 135.00 134.74 1rii n PRO 212 Ca -0.14 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 61.81 1rii n PRO 212 Cb 0.43 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 1rii n PRO 212 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1rii s LEU 213 N -1.81 3.38 -0.19 2.45 2.96 0.09 -1.36 118.68 124.21 1rii s LEU 213 Ca 0.56 -0.76 -0.16 0.00 -0.22 0.00 0.00 54.13 53.55 1rii s LEU 213 Cb -0.50 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1rii s LEU 213 CO 0.62 -0.14 0.42 -0.60 -1.32 0.00 0.00 176.35 175.32 1rii s ARG 214 N 1.40 4.21 -0.17 1.98 3.52 0.23 -0.10 118.95 130.02 1rii s ARG 214 Ca 0.02 0.25 -0.07 0.00 -0.13 0.00 0.00 55.73 55.80 1rii s ARG 214 Cb -0.17 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 1rii s ARG 214 CO -0.02 -0.00 0.07 0.71 -0.81 0.00 0.00 175.30 175.24 1rii s TYR 215 N 1.19 3.28 -0.43 5.12 1.51 0.12 -0.51 117.35 127.63 1rii s TYR 215 Ca 0.20 0.14 -0.12 0.00 -1.01 0.00 0.00 57.07 56.28 1rii s TYR 215 Cb -0.15 -2.05 0.07 0.00 -0.11 0.00 0.00 41.96 39.73 1rii s TYR 215 CO 0.08 0.24 0.31 -0.51 -1.11 0.00 0.00 175.55 174.56 1rii s ASP 216 N 0.13 5.86 0.15 2.29 1.01 -1.26 -1.76 116.67 123.09 1rii s ASP 216 Ca 0.05 -1.36 0.04 0.00 0.71 0.00 0.00 52.55 51.99 1rii s ASP 216 Cb -0.12 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1rii s ASP 216 CO 0.00 -0.56 0.17 -0.76 0.21 0.00 0.00 175.17 174.24 1rii s LEU 217 N 1.53 3.96 0.00 1.23 1.43 -1.26 -0.31 118.68 125.26 1rii s LEU 217 Ca 0.03 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1rii s LEU 217 Cb -0.23 -2.57 0.08 0.00 0.03 0.00 0.00 46.19 43.51 1rii s LEU 217 CO 0.05 0.08 0.55 -0.90 0.23 0.00 0.00 176.35 176.35 1rii n ASP 218 N -0.31 0.51 0.29 2.29 5.68 0.09 -4.69 116.55 120.41 1rii n ASP 218 Ca -0.08 -1.48 0.16 0.00 -0.50 0.00 0.00 54.79 52.89 1rii n ASP 218 Cb 0.54 -0.38 0.87 0.00 -1.14 0.00 0.00 41.12 41.02 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 -0.46 0.00 -0.63 -1.12 4.64 -1.99 0.35 113.55 114.35 1rii h SER 219 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1rii h SER 219 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1rii h SER 219 CO 0.17 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.19 1rii n ALA 220 N -2.21 2.59 -1.22 5.18 0.00 -1.26 -4.91 120.51 118.67 1rii n ALA 220 Ca -0.02 -1.21 -0.08 0.00 0.00 0.00 0.00 53.44 52.14 1rii n ALA 220 Cb 0.18 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 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 1.27 -0.94 -2.68 0.00 2.81 0.12 -4.99 117.12 112.71 1rii n MET 221 Ca 0.22 0.69 -0.42 0.00 -1.81 0.00 0.00 57.70 56.38 1rii n MET 221 Cb 0.62 -4.64 -0.03 0.00 -0.71 0.00 0.00 33.22 28.46 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 -2.32 4.53 0.36 0.03 0.52 -1.26 -4.73 118.95 116.07 1rii s ARG 222 Ca 0.00 1.45 -0.28 0.00 -0.52 0.00 0.00 55.73 56.38 1rii s ARG 222 Cb 0.00 -3.46 -0.11 0.00 0.52 0.00 0.00 34.95 31.90 1rii s ARG 222 CO 0.00 -0.11 1.49 -2.30 0.02 0.00 0.00 175.30 174.40 1rii n PRO 223 N 4.06 2.62 0.14 3.54 -0.02 -1.26 -0.73 135.00 143.34 1rii n PRO 223 Ca 0.07 0.92 0.07 0.00 -2.02 0.00 0.00 63.50 62.54 1rii n PRO 223 Cb 0.50 -2.64 0.04 0.00 -0.02 0.00 0.00 33.50 31.38 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 3.29 0.00 -7.63 2.45 -0.00 -1.00 -3.41 115.31 109.01 1rii h LEU 224 Ca -0.49 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 56.74 1rii h LEU 224 Cb 1.24 0.00 -0.39 0.00 -0.00 0.00 0.00 40.66 41.51 1rii h LEU 224 CO 0.67 0.24 -0.75 -0.69 -0.00 0.00 0.00 178.44 177.91 1rii s VAL 225 N -3.13 1.95 0.12 1.22 1.01 -1.26 -5.08 120.40 115.23 1rii s VAL 225 Ca 0.03 -1.95 -0.35 0.00 0.00 0.00 0.00 61.98 59.71 1rii s VAL 225 Cb 0.07 -2.36 -0.15 0.00 0.00 0.00 0.00 36.38 33.95 1rii s VAL 225 CO 0.75 -0.46 1.52 -1.14 0.00 0.00 0.00 175.10 175.77 1rii n ARG 226 N 4.42 1.84 -0.99 2.72 0.63 -1.26 -0.71 116.66 123.31 1rii n ARG 226 Ca -0.02 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 1rii n ARG 226 Cb 0.42 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 30.93 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 3.21 0.85 2.28 5.14 0.00 -1.26 -4.93 105.19 110.48 1rii n GLY 227 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.25 -1.93 2.90 -0.02 0.00 0.11 -4.86 105.19 99.15 1rii n GLY 228 Ca 0.00 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.27 1.08 0.34 2.61 2.01 0.33 -4.94 115.64 115.81 1rii s THR 229 Ca 0.00 -0.44 -0.27 0.00 0.31 0.00 0.00 61.69 61.29 1rii s THR 229 Cb 0.00 -1.16 -0.09 0.00 0.01 0.00 0.00 72.50 71.26 1rii s THR 229 CO 0.00 0.27 1.13 -0.31 -0.69 0.00 0.00 174.62 175.02 1rii s TYR 230 N 1.67 3.32 0.07 4.92 2.02 -1.26 -0.60 117.35 127.49 1rii s TYR 230 Ca 0.03 1.62 0.27 0.00 -0.37 0.00 0.00 57.07 58.63 1rii s TYR 230 Cb -0.14 -3.32 1.00 0.00 -0.40 0.00 0.00 41.96 39.11 1rii s TYR 230 CO -0.08 -0.89 1.85 -0.07 -1.57 0.00 0.00 175.55 174.79 1rii h LEU 231 N 3.16 0.00 -6.56 -1.29 3.38 -1.53 -3.32 115.31 109.15 1rii h LEU 231 Ca -0.48 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.89 1rii h LEU 231 Cb 1.22 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.57 1rii h LEU 231 CO 0.65 0.14 -0.84 -0.67 0.09 0.00 0.00 178.44 177.80 1rii n ASP 232 N -3.26 0.88 0.06 -0.43 -0.08 -1.26 -5.00 116.55 107.46 1rii n ASP 232 Ca 0.01 -2.71 0.11 0.00 -1.51 0.00 0.00 54.79 50.69 1rii n ASP 232 Cb 0.40 -0.63 0.58 0.00 2.34 0.00 0.00 41.12 43.81 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 5.37 0.20 0.31 -0.67 0.11 -1.97 0.43 132.00 135.78 1rii h PRO 233 Ca 0.21 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 1rii h PRO 233 Cb 0.85 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1rii h PRO 233 CO 0.51 0.13 -0.15 0.93 -0.21 0.00 0.00 178.00 179.21 1rii h GLU 234 N 0.21 -0.40 -0.94 1.05 3.07 -1.94 -1.57 114.58 114.05 1rii h GLU 234 Ca 0.16 0.03 0.14 0.00 -0.50 0.00 0.00 59.36 59.19 1rii h GLU 234 Cb 0.39 0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 28.31 1rii h GLU 234 CO -0.03 -0.07 0.60 0.00 -1.40 0.00 0.00 179.01 178.11 1rii h ALA 235 N -0.38 1.70 0.13 3.43 0.00 -1.82 -1.23 119.26 121.08 1rii h ALA 235 Ca -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rii h ALA 235 Cb 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rii h ALA 235 CO 0.07 0.05 -0.07 0.00 0.00 0.00 0.00 179.25 179.30 1rii h ALA 236 N 1.58 -0.18 -0.68 0.00 0.00 0.01 1.13 119.26 121.13 1rii h ALA 236 Ca 0.47 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.41 1rii h ALA 236 Cb 0.63 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1rii h ALA 236 CO -0.24 -0.60 0.45 0.00 0.00 0.00 0.00 179.25 178.85 1rii h ALA 237 N 0.69 1.74 0.03 0.00 0.00 -0.52 0.24 119.26 121.45 1rii h ALA 237 Ca -0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 1rii h ALA 237 Cb 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1rii h ALA 237 CO 0.02 0.15 -1.29 0.00 0.00 0.00 0.00 179.25 178.14 1rii h ALA 238 N 1.63 0.42 -0.14 0.00 0.00 -0.20 -2.99 119.26 117.98 1rii h ALA 238 Ca 0.29 -1.08 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 1rii h ALA 238 Cb 0.26 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1rii h ALA 238 CO -0.09 1.29 -0.56 0.78 0.00 0.00 0.00 179.25 180.67 1rii h GLY 239 N 2.77 0.47 1.99 0.00 0.00 0.17 0.86 103.07 109.33 1rii h GLY 239 Ca -0.13 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1rii h GLY 239 CO 0.13 0.49 -0.03 0.00 0.00 0.00 0.00 176.54 177.13 1rii h ALA 240 N 1.07 1.93 0.00 3.60 0.00 -0.56 -2.82 119.26 122.48 1rii h ALA 240 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rii h ALA 240 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rii h ALA 240 CO 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 179.25 179.40 1rii h ALA 241 N 1.95 -0.00 -1.48 0.00 0.00 -1.27 -3.38 119.26 115.08 1rii h ALA 241 Ca 0.00 -0.12 0.48 0.00 0.00 0.00 0.00 54.91 55.28 1rii h ALA 241 Cb 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 1rii h ALA 241 CO 0.00 -0.00 0.99 0.00 0.00 0.00 0.00 179.25 180.24 1rii n ALA 242 N -2.74 1.45 0.00 0.00 0.00 0.25 -4.82 120.51 114.65 1rii n ALA 242 Ca -0.02 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1rii n ALA 242 Cb 0.11 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1rii n ALA 242 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1rii n VAL 243 N -4.39 0.00 -0.92 0.00 0.24 -1.12 -5.09 118.33 107.06 1rii n VAL 243 Ca 0.40 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.70 1rii n VAL 243 Cb 1.62 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 1rii n VAL 243 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69