#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xza n THR 18 N 0.00 0.01 -4.56 5.15 -2.24 -1.26 -4.61 114.28 106.77 1xza n THR 18 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.51 1xza n THR 18 Cb 0.00 -0.51 -0.17 0.00 -2.10 0.00 0.00 70.33 67.55 1xza n THR 18 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xza s THR 19 N -2.49 1.42 -0.04 4.28 2.01 -1.26 -0.51 115.64 119.06 1xza s THR 19 Ca 0.31 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1xza s THR 19 Cb 0.20 -1.30 0.03 0.00 0.01 0.00 0.00 72.50 71.45 1xza s THR 19 CO 0.44 0.42 0.07 -0.13 -0.69 0.00 0.00 174.62 174.74 1xza s ARG 20 N 0.85 -0.03 -0.37 4.92 1.81 -1.26 -4.97 118.95 119.89 1xza s ARG 20 Ca -0.10 0.31 0.11 0.00 -1.72 0.00 0.00 55.73 54.33 1xza s ARG 20 Cb -0.15 -0.32 0.44 0.00 -0.45 0.00 0.00 34.95 34.47 1xza s ARG 20 CO 0.01 -0.23 1.06 -0.25 -0.68 0.00 0.00 175.30 175.21 1xza n ASP 21 N 4.63 3.38 0.13 0.23 8.00 -1.25 -1.71 116.55 129.95 1xza n ASP 21 Ca -0.18 -3.26 0.02 0.00 0.71 0.00 0.00 54.79 52.08 1xza n ASP 21 Cb 0.50 -0.48 0.38 0.00 -0.02 0.00 0.00 41.12 41.50 1xza n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xza h ASP 22 N 2.70 0.19 -0.11 -2.24 3.32 -1.59 -0.75 116.42 117.94 1xza h ASP 22 Ca 0.14 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1xza h ASP 22 Cb 1.09 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1xza h ASP 22 CO 0.68 0.39 -0.24 0.25 -1.72 0.00 0.00 179.24 178.60 1xza h LEU 23 N 0.19 0.41 -0.73 1.55 5.85 -1.90 -0.41 115.31 120.27 1xza h LEU 23 Ca 0.04 -0.57 -0.05 0.00 0.84 0.00 0.00 57.88 58.14 1xza h LEU 23 Cb 0.44 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1xza h LEU 23 CO 0.03 0.90 0.28 0.40 -0.34 0.00 0.00 178.44 179.71 1xza h ILE 24 N -0.07 1.25 0.00 4.05 2.04 -1.89 -2.96 117.51 119.94 1xza h ILE 24 Ca 0.00 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1xza h ILE 24 Cb 0.84 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1xza h ILE 24 CO 0.05 0.33 -0.32 0.78 0.00 0.00 0.00 178.15 178.99 1xza h ASN 25 N 1.06 0.00 -3.98 1.72 2.35 -1.19 -3.48 115.58 112.06 1xza h ASN 25 Ca 0.24 -0.10 -0.48 0.00 -0.55 0.00 0.00 56.30 55.41 1xza h ASN 25 Cb 0.24 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.63 1xza h ASN 25 CO -0.02 0.05 0.42 -0.83 -1.65 0.00 0.00 177.43 175.40 1xza s GLY 26 N -3.66 2.71 -0.08 2.83 0.00 -0.16 -5.00 107.32 103.96 1xza s GLY 26 Ca 0.08 0.72 -0.28 0.00 0.00 0.00 0.00 44.72 45.24 1xza s GLY 26 CO 0.66 1.14 0.92 -1.31 0.00 0.00 0.00 173.10 174.52 1xza s ASN 27 N -1.58 7.19 0.51 1.64 -0.87 -1.26 -4.94 114.94 115.62 1xza s ASN 27 Ca 0.60 1.45 0.17 0.00 -1.57 0.00 0.00 52.86 53.51 1xza s ASN 27 Cb -0.22 -2.52 1.24 0.00 -0.02 0.00 0.00 41.25 39.73 1xza s ASN 27 CO 0.28 -0.34 2.10 -1.28 -2.57 0.00 0.00 177.10 175.29 1xza h SER 28 N 7.01 0.07 0.99 -1.22 0.87 -1.95 -1.39 113.55 117.92 1xza h SER 28 Ca -0.35 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1xza h SER 28 Cb 1.17 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1xza h SER 28 CO 0.81 0.04 0.00 0.00 -0.53 0.00 0.00 176.83 177.15 1xza n ALA 29 N -2.55 1.92 -3.19 6.23 0.00 -1.26 -3.79 120.51 117.87 1xza n ALA 29 Ca 0.01 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 1xza n ALA 29 Cb 0.21 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 1xza n ALA 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xza n SER 30 N -2.14 0.82 -4.78 0.00 3.41 -0.53 -5.11 113.62 105.29 1xza n SER 30 Ca 0.04 -2.92 -0.41 0.00 -0.26 0.00 0.00 58.87 55.32 1xza n SER 30 Cb 0.30 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1xza n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xza s ALA 32 N -1.14 2.06 -0.08 0.00 0.00 -1.26 -4.96 121.76 116.37 1xza s ALA 32 Ca 0.54 0.14 0.18 0.00 0.00 0.00 0.00 51.96 52.82 1xza s ALA 32 Cb -0.45 -3.24 0.34 0.00 0.00 0.00 0.00 23.12 19.77 1xza s ALA 32 CO 0.61 -1.91 1.57 -0.44 0.00 0.00 0.00 175.76 175.59 1xza h ASP 33 N -1.23 0.00 -3.49 0.00 3.32 -1.69 -3.43 116.42 109.90 1xza h ASP 33 Ca -0.45 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.14 1xza h ASP 33 Cb 1.25 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.46 1xza h ASP 33 CO 0.53 0.39 -0.79 -0.69 -1.72 0.00 0.00 179.24 176.95 1xza s VAL 34 N -3.20 0.81 -0.12 -1.35 1.01 -1.03 -0.66 120.40 115.87 1xza s VAL 34 Ca 0.03 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1xza s VAL 34 Cb 0.08 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1xza s VAL 34 CO 0.71 0.28 -0.19 -0.63 0.00 0.00 0.00 175.10 175.27 1xza s ILE 35 N 0.71 1.80 -0.19 2.22 1.01 -0.57 -0.99 121.20 125.19 1xza s ILE 35 Ca -0.12 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 1xza s ILE 35 Cb -0.14 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 1xza s ILE 35 CO 0.02 0.50 -0.03 0.12 0.00 0.00 0.00 174.94 175.55 1xza s PHE 36 N 0.83 2.99 -0.15 3.97 5.36 -0.12 -1.33 117.98 129.54 1xza s PHE 36 Ca -0.08 -0.59 0.02 0.00 -0.96 0.00 0.00 56.93 55.32 1xza s PHE 36 Cb -0.16 -2.05 0.01 0.00 -0.34 0.00 0.00 43.02 40.48 1xza s PHE 36 CO -0.01 -0.30 -0.20 0.42 -1.46 0.00 0.00 175.22 173.68 1xza s ILE 37 N 1.00 2.27 -0.04 3.12 1.01 -0.77 -0.54 121.20 127.26 1xza s ILE 37 Ca 0.01 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1xza s ILE 37 Cb -0.15 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.40 1xza s ILE 37 CO 0.01 0.54 -0.10 -0.47 0.00 0.00 0.00 174.94 174.92 1xza s TYR 38 N 0.83 1.07 -0.15 3.97 5.04 -0.38 -2.33 117.35 125.40 1xza s TYR 38 Ca -0.06 -0.30 -0.02 0.00 -2.44 0.00 0.00 57.07 54.24 1xza s TYR 38 Cb -0.15 -0.78 -0.02 0.00 0.35 0.00 0.00 41.96 41.35 1xza s TYR 38 CO -0.02 -0.15 -0.07 0.00 -1.34 0.00 0.00 175.55 173.98 1xza s ALA 39 N 0.35 2.87 0.88 3.97 0.00 -0.55 -1.62 121.76 127.66 1xza s ALA 39 Ca -0.06 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 1xza s ALA 39 Cb -0.11 -1.44 0.13 0.00 0.00 0.00 0.00 23.12 21.70 1xza s ALA 39 CO 0.01 0.22 1.20 -0.98 0.00 0.00 0.00 175.76 176.22 1xza s ARG 40 N 0.37 1.37 0.90 0.00 1.70 -1.26 -1.84 118.95 120.18 1xza s ARG 40 Ca -0.06 0.01 -0.12 0.00 -0.47 0.00 0.00 55.73 55.09 1xza s ARG 40 Cb -0.15 -1.89 0.20 0.00 -0.57 0.00 0.00 34.95 32.54 1xza s ARG 40 CO 0.04 -1.99 1.23 0.41 -1.08 0.00 0.00 175.30 173.91 1xza n GLY 41 N -3.13 -0.91 3.76 3.88 0.00 -1.17 -2.32 105.19 105.30 1xza n GLY 41 Ca 0.10 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1xza n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xza s SER 42 N -5.61 6.65 0.00 1.61 0.01 -1.26 -2.43 113.70 112.67 1xza s SER 42 Ca 0.72 2.75 0.00 0.00 1.31 0.00 0.00 55.95 60.73 1xza s SER 42 Cb -0.02 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1xza s SER 42 CO 0.50 -0.66 0.00 0.41 0.41 0.00 0.00 173.24 173.90 1xza n THR 43 N 1.31 0.00 -1.83 1.44 -1.04 -0.03 -4.96 114.28 109.17 1xza n THR 43 Ca 0.03 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.73 1xza n THR 43 Cb 0.41 -0.62 0.03 0.00 -1.82 0.00 0.00 70.33 68.32 1xza n THR 43 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1xza s GLU 44 N -1.25 3.27 0.49 -2.82 2.02 -1.02 -5.06 118.70 114.34 1xza s GLU 44 Ca 0.00 0.69 0.02 0.00 0.02 0.00 0.00 54.97 55.70 1xza s GLU 44 Cb 0.00 -2.05 0.02 0.00 0.10 0.00 0.00 34.13 32.20 1xza s GLU 44 CO 0.00 -0.79 0.70 0.95 0.02 0.00 0.00 175.26 176.14 1xza s THR 45 N -3.21 3.25 0.00 3.63 -4.23 -1.26 -4.85 115.64 108.97 1xza s THR 45 Ca 0.56 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1xza s THR 45 Cb -0.11 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1xza s THR 45 CO 0.54 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 1xza n GLY 46 N -2.16 1.85 0.00 3.99 0.00 -1.26 -1.30 105.19 106.31 1xza n GLY 46 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1xza n GLY 46 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xza n ASN 47 N -1.37 1.39 -0.00 1.61 2.04 0.34 -4.69 115.26 114.56 1xza n ASN 47 Ca 0.00 -1.50 0.03 0.00 -0.44 0.00 0.00 54.58 52.67 1xza n ASN 47 Cb 0.00 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.20 1xza n ASN 47 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1xza n LEU 48 N -0.25 0.00 0.00 -4.53 4.77 0.22 -3.51 117.00 113.70 1xza n LEU 48 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xza n LEU 48 Cb 0.17 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1xza n LEU 48 CO 0.00 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1xza n GLY 49 N 2.15 0.82 0.08 -0.72 0.00 -0.42 -2.59 105.19 104.52 1xza n GLY 49 Ca -0.02 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 1xza n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xza h THR 50 N 0.00 1.31 0.02 2.61 1.35 -1.97 -3.39 112.91 112.83 1xza h THR 50 Ca 0.00 -2.99 -0.35 0.00 -0.55 0.00 0.00 66.41 62.51 1xza h THR 50 Cb 0.00 2.63 -0.06 0.00 -1.73 0.00 0.00 68.15 68.99 1xza h THR 50 CO 0.00 0.75 -2.18 0.18 -0.25 0.00 0.00 175.52 174.01 1xza n LEU 51 N -3.23 1.29 -0.27 3.87 4.77 -1.26 -4.64 117.00 117.54 1xza n LEU 51 Ca -0.04 0.10 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1xza n LEU 51 Cb 0.93 -0.15 0.16 0.00 -2.33 0.00 0.00 43.42 42.03 1xza n LEU 51 CO 0.45 0.63 1.10 1.23 -1.33 0.00 0.00 177.39 179.47 1xza h GLY 52 N 2.98 1.18 0.67 -0.72 0.00 -1.69 -2.74 103.07 102.76 1xza h GLY 52 Ca -0.47 -0.26 0.08 0.00 0.00 0.00 0.00 47.33 46.67 1xza h GLY 52 CO 0.02 0.08 0.59 -2.55 0.00 0.00 0.00 176.54 174.69 1xza h PRO 53 N 0.68 1.01 -0.68 4.80 0.11 -1.79 0.16 132.00 136.30 1xza h PRO 53 Ca 0.38 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.35 1xza h PRO 53 Cb 0.39 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 1xza h PRO 53 CO -0.27 0.67 0.14 0.77 -0.21 0.00 0.00 178.00 179.10 1xza h SER 54 N 1.04 1.04 -0.28 -2.05 0.02 -1.78 -1.40 113.55 110.15 1xza h SER 54 Ca 0.42 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1xza h SER 54 Cb 0.24 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1xza h SER 54 CO -0.20 1.01 -0.17 0.40 -1.14 0.00 0.00 176.83 176.74 1xza h ILE 55 N 1.03 1.30 -0.23 3.27 2.04 -1.24 -3.08 117.51 120.60 1xza h ILE 55 Ca 0.21 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.82 1xza h ILE 55 Cb 0.40 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1xza h ILE 55 CO 0.01 0.41 0.04 0.00 0.00 0.00 0.00 178.15 178.60 1xza h ALA 56 N 0.73 0.23 -0.57 1.87 0.00 -0.71 -1.51 119.26 119.30 1xza h ALA 56 Ca 0.06 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xza h ALA 56 Cb 0.70 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1xza h ALA 56 CO 0.05 -0.39 0.38 0.77 0.00 0.00 0.00 179.25 180.06 1xza h SER 57 N 0.12 0.56 1.33 0.00 0.02 -1.30 -0.32 113.55 113.96 1xza h SER 57 Ca 0.11 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 1xza h SER 57 Cb 0.11 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1xza h SER 57 CO -0.15 0.39 -0.66 0.78 -1.14 0.00 0.00 176.83 176.05 1xza h ASN 58 N 0.65 0.00 -0.15 3.07 2.35 -1.34 -1.20 115.58 118.97 1xza h ASN 58 Ca 0.23 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.79 1xza h ASN 58 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1xza h ASN 58 CO -0.06 0.66 -0.62 -0.07 -1.65 0.00 0.00 177.43 175.69 1xza h LEU 59 N 0.00 0.86 -0.63 1.61 3.38 -0.21 -2.54 115.31 117.78 1xza h LEU 59 Ca -0.01 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 1xza h LEU 59 Cb 1.50 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1xza h LEU 59 CO 0.09 1.27 0.16 -0.33 0.09 0.00 0.00 178.44 179.71 1xza h GLU 60 N 0.56 1.01 -0.92 1.13 5.08 -0.94 -0.16 114.58 120.35 1xza h GLU 60 Ca -0.01 -0.24 0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1xza h GLU 60 Cb 1.21 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 1xza h GLU 60 CO 0.13 0.91 0.59 0.77 -1.00 0.00 0.00 179.01 180.41 1xza h SER 61 N 0.93 0.86 0.09 1.42 0.02 -1.14 0.38 113.55 116.12 1xza h SER 61 Ca 0.20 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.94 1xza h SER 61 Cb 0.35 -0.16 0.02 0.00 0.14 0.00 0.00 62.40 62.75 1xza h SER 61 CO 0.00 0.52 -0.94 0.00 -1.14 0.00 0.00 176.83 175.27 1xza h ALA 62 N 1.53 -0.01 -0.01 3.77 0.00 -0.88 -3.37 119.26 120.29 1xza h ALA 62 Ca 0.42 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xza h ALA 62 Cb 0.33 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xza h ALA 62 CO -0.17 0.50 -0.32 1.19 0.00 0.00 0.00 179.25 180.45 1xza n PHE 63 N -4.01 0.00 0.00 0.00 3.72 -0.16 -5.10 117.46 111.91 1xza n PHE 63 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1xza n PHE 63 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 1xza n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xza n GLY 64 N 1.04 -1.13 0.35 1.37 0.00 0.13 -3.48 105.19 103.48 1xza n GLY 64 Ca 0.04 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1xza n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xza h LYS 65 N 0.00 1.05 0.00 1.61 1.79 -1.90 -0.05 116.57 119.06 1xza h LYS 65 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1xza h LYS 65 Cb 0.00 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.41 1xza h LYS 65 CO 0.00 0.69 -0.12 -0.25 -1.08 0.00 0.00 179.45 178.70 1xza n ASP 66 N -4.41 0.25 0.08 0.86 9.92 -1.26 -3.84 116.55 118.14 1xza n ASP 66 Ca 0.09 0.37 0.04 0.00 -0.53 0.00 0.00 54.79 54.75 1xza n ASP 66 Cb 0.03 -0.39 -0.03 0.00 -0.64 0.00 0.00 41.12 40.09 1xza n ASP 66 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1xza h GLY 67 N 4.90 0.00 -5.45 0.44 0.00 -1.04 -3.40 103.07 98.52 1xza h GLY 67 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1xza h GLY 67 CO 0.00 0.00 -0.79 0.54 0.00 0.00 0.00 176.54 176.29 1xza s VAL 68 N -3.04 0.88 -0.16 4.60 0.11 -1.04 -2.20 120.40 119.54 1xza s VAL 68 Ca -0.00 -0.43 -0.07 0.00 -2.93 0.00 0.00 61.98 58.55 1xza s VAL 68 Cb 0.08 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1xza s VAL 68 CO 0.78 0.27 0.07 0.26 -3.33 0.00 0.00 175.10 173.15 1xza s TRP 69 N 0.10 3.29 -0.23 1.54 0.51 -0.16 -4.88 118.94 119.11 1xza s TRP 69 Ca -0.02 0.16 -0.08 0.00 -2.12 0.00 0.00 56.10 54.04 1xza s TRP 69 Cb -0.08 -2.03 -0.04 0.00 -0.81 0.00 0.00 33.47 30.51 1xza s TRP 69 CO 0.01 0.27 0.09 0.42 -0.51 0.00 0.00 176.95 177.22 1xza s ILE 70 N 0.05 4.63 -0.14 2.03 -1.09 -1.26 -0.95 121.20 124.47 1xza s ILE 70 Ca 0.06 -0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.40 1xza s ILE 70 Cb -0.12 -3.14 0.04 0.00 -1.58 0.00 0.00 42.46 37.65 1xza s ILE 70 CO 0.01 0.37 -0.03 -1.58 -1.23 0.00 0.00 174.94 172.47 1xza s GLN 71 N 1.20 1.14 0.55 2.79 2.00 0.30 -1.34 119.66 126.30 1xza s GLN 71 Ca 0.05 -0.30 -0.05 0.00 -2.00 0.00 0.00 55.36 53.06 1xza s GLN 71 Cb -0.14 -1.69 -0.00 0.00 0.80 0.00 0.00 33.01 31.97 1xza s GLN 71 CO 0.04 -0.40 0.85 0.20 -0.50 0.00 0.00 175.29 175.48 1xza s GLY 72 N 1.76 1.58 -0.42 2.59 0.00 -0.70 -1.25 107.32 110.89 1xza s GLY 72 Ca 0.02 -0.72 -0.17 0.00 0.00 0.00 0.00 44.72 43.85 1xza s GLY 72 CO -0.07 -0.48 0.44 0.14 0.00 0.00 0.00 173.10 173.13 1xza s VAL 73 N -2.88 5.09 0.00 1.40 1.01 -0.64 -4.82 120.40 119.55 1xza s VAL 73 Ca 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1xza s VAL 73 Cb -0.10 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1xza s VAL 73 CO 0.44 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1xza n GLY 74 N 5.11 1.64 7.00 4.51 0.00 -1.26 -4.77 105.19 117.42 1xza n GLY 74 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1xza n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xza n GLY 75 N 5.00 4.34 0.10 -0.02 0.00 -1.26 -1.03 105.19 112.33 1xza n GLY 75 Ca 0.00 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1xza n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xza n ALA 76 N 12.90 2.02 -2.57 4.61 0.00 -1.26 -4.54 120.51 131.67 1xza n ALA 76 Ca 0.00 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1xza n ALA 76 Cb 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 1xza n ALA 76 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xza s TYR 77 N -3.17 2.49 -1.13 0.00 5.04 -0.20 -4.55 117.35 115.82 1xza s TYR 77 Ca 0.08 0.23 0.26 0.00 -2.44 0.00 0.00 57.07 55.20 1xza s TYR 77 Cb 0.11 -4.55 0.72 0.00 0.35 0.00 0.00 41.96 38.59 1xza s TYR 77 CO 0.50 -1.77 1.56 0.54 -1.34 0.00 0.00 175.55 175.04 1xza n ARG 78 N 8.77 0.14 -3.72 4.97 5.12 -1.26 -4.71 116.66 125.97 1xza n ARG 78 Ca 0.06 -0.07 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 1xza n ARG 78 Cb 0.49 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.33 1xza n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xza n ALA 79 N -1.36 -1.89 -2.70 7.54 0.00 -1.26 -4.71 120.51 116.12 1xza n ALA 79 Ca 0.07 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1xza n ALA 79 Cb 0.33 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.33 1xza n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xza s THR 80 N -3.60 4.85 0.25 0.00 2.01 -1.26 -0.85 115.64 117.04 1xza s THR 80 Ca 0.11 2.00 -0.04 0.00 0.31 0.00 0.00 61.69 64.08 1xza s THR 80 Cb -0.06 -4.29 0.21 0.00 0.01 0.00 0.00 72.50 68.37 1xza s THR 80 CO 0.81 0.10 1.77 0.25 -0.69 0.00 0.00 174.62 176.86 1xza h LEU 81 N 7.30 0.49 -2.11 4.42 5.85 -1.93 -1.26 115.31 128.09 1xza h LEU 81 Ca -0.37 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1xza h LEU 81 Cb 1.19 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1xza h LEU 81 CO 0.79 0.24 0.14 1.23 -0.34 0.00 0.00 178.44 180.50 1xza h GLY 82 N 0.62 0.00 1.73 3.75 0.00 -2.02 -2.00 103.07 105.15 1xza h GLY 82 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1xza h GLY 82 CO -0.32 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.44 1xza n ASP 83 N -4.26 0.00 0.29 0.19 8.00 -0.47 -1.95 116.55 118.35 1xza n ASP 83 Ca 0.01 0.21 0.15 0.00 0.71 0.00 0.00 54.79 55.87 1xza n ASP 83 Cb 0.26 -0.37 0.87 0.00 -0.02 0.00 0.00 41.12 41.86 1xza n ASP 83 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1xza h ASN 84 N 0.00 0.00 0.46 -2.24 2.35 -1.50 -2.22 115.58 112.42 1xza h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xza h ASN 84 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1xza h ASN 84 CO 0.00 0.05 -0.23 0.00 -1.65 0.00 0.00 177.43 175.59 1xza n ALA 85 N -2.28 2.98 -1.45 -0.83 0.00 -0.82 -4.30 120.51 113.81 1xza n ALA 85 Ca -0.02 -0.30 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 1xza n ALA 85 Cb 0.14 -1.25 0.06 0.00 0.00 0.00 0.00 19.45 18.41 1xza n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xza s LEU 86 N -2.69 3.17 0.28 0.00 1.43 -0.86 -4.89 118.68 115.12 1xza s LEU 86 Ca 0.21 1.77 -0.05 0.00 -1.03 0.00 0.00 54.13 55.04 1xza s LEU 86 Cb 0.19 -4.52 0.55 0.00 0.03 0.00 0.00 46.19 42.44 1xza s LEU 86 CO 0.55 -1.67 1.57 -0.65 0.23 0.00 0.00 176.35 176.39 1xza h PRO 87 N -0.64 0.01 -0.41 1.29 0.11 -1.89 0.15 132.00 130.62 1xza h PRO 87 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xza h PRO 87 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xza h PRO 87 CO 0.54 0.01 0.00 0.54 -0.21 0.00 0.00 178.00 178.88 1xza n ARG 88 N -5.55 2.21 -0.86 1.05 1.74 -1.26 -4.90 116.66 109.08 1xza n ARG 88 Ca 0.18 -1.85 0.00 0.00 -0.77 0.00 0.00 57.85 55.41 1xza n ARG 88 Cb 0.58 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1xza n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xza n GLY 89 N 1.35 0.59 3.49 -0.13 0.00 0.52 -4.70 105.19 106.32 1xza n GLY 89 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 1xza n GLY 89 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xza n THR 90 N -2.82 0.00 -2.75 2.61 5.66 -1.09 -4.16 114.28 111.74 1xza n THR 90 Ca 0.00 -0.73 -0.27 0.00 -3.05 0.00 0.00 64.05 60.01 1xza n THR 90 Cb 0.00 0.82 -0.00 0.00 -1.55 0.00 0.00 70.33 69.59 1xza n THR 90 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1xza s SER 91 N -3.06 6.27 0.24 1.09 1.04 -1.26 -4.72 113.70 113.30 1xza s SER 91 Ca 0.18 0.86 -0.07 0.00 0.48 0.00 0.00 55.95 57.39 1xza s SER 91 Cb -0.04 -2.22 0.22 0.00 0.10 0.00 0.00 66.02 64.09 1xza s SER 91 CO 0.08 -0.54 1.88 0.28 0.98 0.00 0.00 173.24 175.93 1xza h SER 92 N 0.30 1.11 -0.73 7.02 0.02 -2.00 -2.60 113.55 116.68 1xza h SER 92 Ca -0.47 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.39 1xza h SER 92 Cb 1.21 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 1xza h SER 92 CO 0.62 0.86 0.40 0.00 -1.14 0.00 0.00 176.83 177.57 1xza h ALA 93 N 1.30 1.32 -0.45 3.77 0.00 -1.94 -1.63 119.26 121.63 1xza h ALA 93 Ca 0.33 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1xza h ALA 93 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1xza h ALA 93 CO -0.06 0.56 -0.27 0.00 0.00 0.00 0.00 179.25 179.48 1xza h ALA 94 N 1.41 0.67 -0.56 0.00 0.00 -1.72 -1.69 119.26 117.38 1xza h ALA 94 Ca 0.26 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1xza h ALA 94 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1xza h ALA 94 CO -0.04 0.67 0.25 0.82 0.00 0.00 0.00 179.25 180.95 1xza h ILE 95 N 0.82 1.21 -0.91 0.00 2.04 -1.15 -2.09 117.51 117.43 1xza h ILE 95 Ca 0.09 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.34 1xza h ILE 95 Cb 0.85 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1xza h ILE 95 CO 0.08 0.25 0.60 -0.09 0.00 0.00 0.00 178.15 178.98 1xza h ARG 96 N 0.76 1.17 -0.26 2.37 9.65 -1.12 0.16 114.38 127.10 1xza h ARG 96 Ca 0.19 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1xza h ARG 96 Cb 0.15 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 1xza h ARG 96 CO -0.02 0.77 0.14 1.49 2.80 0.00 0.00 179.97 185.15 1xza h GLU 97 N 1.20 0.37 -0.11 0.20 4.57 -0.94 -0.52 114.58 119.35 1xza h GLU 97 Ca 0.34 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.33 1xza h GLU 97 Cb -0.10 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1xza h GLU 97 CO -0.09 0.34 -0.56 1.98 -1.18 0.00 0.00 179.01 179.50 1xza h MET 98 N 0.31 0.34 -0.66 1.92 4.05 -0.96 -2.53 114.93 117.40 1xza h MET 98 Ca 0.09 -0.21 -0.02 0.00 -0.28 0.00 0.00 59.70 59.27 1xza h MET 98 Cb 0.08 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 1xza h MET 98 CO -0.01 0.81 0.32 -0.07 0.23 0.00 0.00 176.91 178.18 1xza h LEU 99 N 0.26 0.87 -1.56 3.39 3.38 -0.77 -1.99 115.31 118.89 1xza h LEU 99 Ca 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1xza h LEU 99 Cb 1.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1xza h LEU 99 CO 0.09 0.75 -0.07 1.23 0.09 0.00 0.00 178.44 180.54 1xza h GLY 100 N 0.92 0.22 1.10 0.83 0.00 -0.81 -0.89 103.07 104.43 1xza h GLY 100 Ca 0.23 -0.11 -0.19 0.00 0.00 0.00 0.00 47.33 47.26 1xza h GLY 100 CO -0.03 0.11 -0.59 1.41 0.00 0.00 0.00 176.54 177.44 1xza h LEU 101 N 0.20 0.90 -0.65 3.11 3.38 -0.99 0.66 115.31 121.93 1xza h LEU 101 Ca 0.04 -0.57 -0.08 0.00 0.09 0.00 0.00 57.88 57.36 1xza h LEU 101 Cb 0.25 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1xza h LEU 101 CO 0.01 1.31 0.10 -0.26 0.09 0.00 0.00 178.44 179.69 1xza h PHE 102 N 0.53 1.15 -0.49 1.13 0.04 -0.97 -0.34 116.94 117.98 1xza h PHE 102 Ca -0.01 -0.16 -0.09 0.00 2.80 0.00 0.00 57.97 60.51 1xza h PHE 102 Cb 1.20 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 1xza h PHE 102 CO 0.08 0.97 -0.06 1.96 -0.60 0.00 0.00 178.31 180.66 1xza h GLN 103 N 0.99 0.87 -0.87 1.51 4.20 -1.05 -1.30 115.11 119.46 1xza h GLN 103 Ca 0.20 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1xza h GLN 103 Cb 0.45 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1xza h GLN 103 CO 0.01 0.91 0.47 1.96 -0.67 0.00 0.00 178.83 181.52 1xza h GLN 104 N 0.80 1.21 -0.52 1.46 4.20 -0.46 -1.76 115.11 120.03 1xza h GLN 104 Ca 0.14 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1xza h GLN 104 Cb 0.56 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1xza h GLN 104 CO 0.03 0.89 0.19 0.00 -0.67 0.00 0.00 178.83 179.27 1xza h ALA 105 N 1.30 0.68 -0.47 3.87 0.00 -0.68 0.38 119.26 124.35 1xza h ALA 105 Ca 0.31 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1xza h ALA 105 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xza h ALA 105 CO -0.05 0.31 -0.04 -0.97 0.00 0.00 0.00 179.25 178.50 1xza h ASN 106 N 0.71 0.78 0.00 0.00 -1.24 -1.01 0.11 115.58 114.93 1xza h ASN 106 Ca 0.17 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 1xza h ASN 106 Cb 0.23 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1xza h ASN 106 CO -0.01 0.87 -0.01 0.74 -1.29 0.00 0.00 177.43 177.73 1xza h THR 107 N 0.74 1.67 -0.66 -3.57 2.02 -1.08 -3.13 112.91 108.90 1xza h THR 107 Ca 0.14 -1.99 -0.04 0.00 0.77 0.00 0.00 66.41 65.29 1xza h THR 107 Cb 0.50 3.03 -0.03 0.00 -1.74 0.00 0.00 68.15 69.91 1xza h THR 107 CO 0.03 0.52 0.27 0.50 0.37 0.00 0.00 175.52 177.20 1xza h LYS 108 N -0.84 0.99 -2.22 6.66 3.64 -0.93 -3.38 116.57 120.50 1xza h LYS 108 Ca -0.00 -0.18 -0.58 0.00 -1.27 0.00 0.00 60.65 58.62 1xza h LYS 108 Cb 0.85 -0.16 -0.39 0.00 -0.41 0.00 0.00 32.23 32.12 1xza h LYS 108 CO 0.00 0.82 -1.01 0.00 -2.27 0.00 0.00 179.45 176.99 1xza h PRO 110 N 4.85 0.00 -0.17 0.00 0.13 -1.70 -2.29 132.00 132.82 1xza h PRO 110 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1xza h PRO 110 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1xza h PRO 110 CO 0.43 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.95 1xza n ASP 111 N -3.25 2.95 -4.80 1.44 8.00 -1.26 -4.96 116.55 114.67 1xza n ASP 111 Ca -0.02 -1.93 -0.35 0.00 0.71 0.00 0.00 54.79 53.20 1xza n ASP 111 Cb 0.19 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 1xza n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xza s ALA 112 N -1.80 3.06 0.07 2.24 0.00 -0.86 -5.00 121.76 119.46 1xza s ALA 112 Ca 0.33 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.60 1xza s ALA 112 Cb 0.21 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.06 1xza s ALA 112 CO 0.31 -0.03 0.72 0.99 0.00 0.00 0.00 175.76 177.74 1xza s THR 113 N -1.89 4.67 0.15 0.00 2.01 0.17 -4.93 115.64 115.83 1xza s THR 113 Ca 0.59 1.54 0.04 0.00 0.31 0.00 0.00 61.69 64.17 1xza s THR 113 Cb -0.16 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1xza s THR 113 CO 0.20 0.44 0.20 -0.76 -0.69 0.00 0.00 174.62 174.01 1xza s LEU 114 N -0.48 4.06 0.05 4.42 1.43 -0.73 -1.51 118.68 125.92 1xza s LEU 114 Ca 0.35 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.39 1xza s LEU 114 Cb -0.21 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1xza s LEU 114 CO 0.22 0.07 0.19 0.27 0.23 0.00 0.00 176.35 177.33 1xza s ILE 115 N -1.72 0.12 0.15 -0.59 -4.36 -0.44 -0.63 121.20 113.72 1xza s ILE 115 Ca 0.33 -1.00 -0.05 0.00 -0.26 0.00 0.00 60.65 59.67 1xza s ILE 115 Cb -0.11 -1.04 -0.02 0.00 1.25 0.00 0.00 42.46 42.54 1xza s ILE 115 CO 0.26 -0.55 0.17 0.00 0.24 0.00 0.00 174.94 175.06 1xza s ALA 116 N -2.96 0.40 0.06 2.27 0.00 -0.65 -1.85 121.76 119.03 1xza s ALA 116 Ca -0.02 -1.15 -0.27 0.00 0.00 0.00 0.00 51.96 50.52 1xza s ALA 116 Cb 0.01 0.85 0.09 0.00 0.00 0.00 0.00 23.12 24.06 1xza s ALA 116 CO -0.06 -0.57 0.89 0.20 0.00 0.00 0.00 175.76 176.22 1xza s GLY 117 N -3.00 -0.39 0.04 0.00 0.00 -0.99 -1.63 107.32 101.35 1xza s GLY 117 Ca 0.20 0.66 -0.27 0.00 0.00 0.00 0.00 44.72 45.31 1xza s GLY 117 CO 0.00 0.21 0.76 -0.32 0.00 0.00 0.00 173.10 173.75 1xza s GLY 118 N -2.66 -0.52 -0.07 0.20 0.00 -0.82 -1.48 107.32 101.98 1xza s GLY 118 Ca 0.07 0.93 0.03 0.00 0.00 0.00 0.00 44.72 45.75 1xza s GLY 118 CO -0.05 0.40 -0.16 -0.47 0.00 0.00 0.00 173.10 172.82 1xza s TYR 119 N -2.98 1.72 0.00 1.90 5.04 -0.77 -1.28 117.35 120.99 1xza s TYR 119 Ca 0.01 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 54.02 1xza s TYR 119 Cb -0.01 -1.21 0.00 0.00 0.35 0.00 0.00 41.96 41.10 1xza s TYR 119 CO -0.08 -0.28 0.00 0.45 -1.34 0.00 0.00 175.55 174.31 1xza n SER 120 N 3.60 0.00 -0.28 4.32 2.88 -0.19 -0.43 113.62 123.53 1xza n SER 120 Ca -0.21 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.47 1xza n SER 120 Cb 0.52 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.38 1xza n SER 120 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1xza h GLN 121 N 0.00 0.63 0.00 -1.46 4.15 -1.85 0.78 115.11 117.36 1xza h GLN 121 Ca 0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 1xza h GLN 121 Cb 0.00 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1xza h GLN 121 CO 0.00 0.41 -0.18 0.78 -1.93 0.00 0.00 178.83 177.91 1xza h GLY 122 N 0.65 0.00 1.04 2.39 0.00 -0.33 0.84 103.07 107.66 1xza h GLY 122 Ca 0.47 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.63 1xza h GLY 122 CO -0.23 0.00 -0.56 0.00 0.00 0.00 0.00 176.54 175.75 1xza h ALA 123 N 1.82 0.32 -0.52 3.60 0.00 -0.80 0.36 119.26 124.04 1xza h ALA 123 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1xza h ALA 123 Cb 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xza h ALA 123 CO 0.02 0.54 0.28 0.00 0.00 0.00 0.00 179.25 180.09 1xza h ALA 124 N 0.58 0.66 -0.29 0.00 0.00 -1.00 -1.21 119.26 118.00 1xza h ALA 124 Ca -0.02 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xza h ALA 124 Cb 1.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1xza h ALA 124 CO 0.12 0.20 0.17 1.25 0.00 0.00 0.00 179.25 180.98 1xza h LEU 125 N 0.69 0.27 -0.73 0.00 5.85 -0.79 -0.17 115.31 120.43 1xza h LEU 125 Ca 0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1xza h LEU 125 Cb 0.07 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1xza h LEU 125 CO -0.03 0.20 0.41 0.00 -0.34 0.00 0.00 178.44 178.69 1xza h ALA 126 N 1.13 0.94 -0.58 1.25 0.00 -0.72 -0.40 119.26 120.87 1xza h ALA 126 Ca 0.11 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1xza h ALA 126 Cb -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1xza h ALA 126 CO -0.05 0.44 0.04 0.00 0.00 0.00 0.00 179.25 179.67 1xza h ALA 127 N 1.21 0.78 -0.44 0.00 0.00 -0.97 -0.69 119.26 119.15 1xza h ALA 127 Ca 0.26 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1xza h ALA 127 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xza h ALA 127 CO -0.04 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.77 1xza h ALA 128 N 0.99 0.59 -0.11 0.00 0.00 -0.66 -1.35 119.26 118.72 1xza h ALA 128 Ca 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xza h ALA 128 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xza h ALA 128 CO 0.02 0.40 0.06 0.00 0.00 0.00 0.00 179.25 179.73 1xza h ILE 130 N 0.07 1.24 -0.92 0.00 2.04 -1.06 -0.22 117.51 118.66 1xza h ILE 130 Ca 0.04 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 64.94 1xza h ILE 130 Cb 0.10 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1xza h ILE 130 CO -0.01 0.35 0.61 -0.08 0.00 0.00 0.00 178.15 179.02 1xza h GLU 131 N 0.81 1.18 0.00 2.37 4.81 -1.00 -2.96 114.58 119.80 1xza h GLU 131 Ca 0.16 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1xza h GLU 131 Cb 0.42 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1xza h GLU 131 CO 0.01 0.78 -0.45 -0.44 -0.73 0.00 0.00 179.01 178.19 1xza h ASP 132 N 1.22 0.00 -3.84 1.04 3.32 -0.44 -3.48 116.42 114.25 1xza h ASP 132 Ca 0.34 -0.05 -0.56 0.00 0.02 0.00 0.00 57.03 56.78 1xza h ASP 132 Cb -0.10 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.58 1xza h ASP 132 CO -0.08 0.03 0.55 0.18 -1.72 0.00 0.00 179.24 178.19 1xza n LEU 133 N -2.60 4.87 -4.68 1.55 4.77 -0.22 -4.94 117.00 115.75 1xza n LEU 133 Ca 0.03 1.03 -0.44 0.00 -0.03 0.00 0.00 56.01 56.59 1xza n LEU 133 Cb 0.50 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.02 1xza n LEU 133 CO 0.36 -0.64 1.01 -0.67 -1.33 0.00 0.00 177.39 176.12 1xza n ASP 134 N -0.49 2.79 0.05 -1.43 2.03 -1.26 -4.77 116.55 113.47 1xza n ASP 134 Ca 0.09 1.15 0.04 0.00 0.52 0.00 0.00 54.79 56.58 1xza n ASP 134 Cb 0.43 -1.44 0.43 0.00 -0.72 0.00 0.00 41.12 39.82 1xza n ASP 134 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1xza h SER 135 N 4.08 0.37 0.25 1.67 4.64 -1.95 -0.70 113.55 121.91 1xza h SER 135 Ca -0.45 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 1xza h SER 135 Cb 1.27 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1xza h SER 135 CO 0.75 0.34 -0.18 0.00 -0.87 0.00 0.00 176.83 176.86 1xza h ALA 136 N 1.72 1.54 0.10 5.18 0.00 -1.99 -0.37 119.26 125.45 1xza h ALA 136 Ca 0.11 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 1xza h ALA 136 Cb 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xza h ALA 136 CO -0.01 0.23 -1.26 0.82 0.00 0.00 0.00 179.25 179.02 1xza h ILE 137 N 0.00 1.11 -0.95 0.00 2.04 -1.59 -3.34 117.51 114.78 1xza h ILE 137 Ca -0.00 -2.40 0.15 0.00 1.00 0.00 0.00 64.86 63.61 1xza h ILE 137 Cb 0.35 2.77 -0.10 0.00 -0.74 0.00 0.00 36.82 39.11 1xza h ILE 137 CO 0.02 0.67 0.56 -0.09 0.00 0.00 0.00 178.15 179.32 1xza h ARG 138 N -0.40 0.77 0.00 2.37 2.43 -0.89 -0.26 114.38 118.39 1xza h ARG 138 Ca -0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1xza h ARG 138 Cb 1.68 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1xza h ARG 138 CO 0.05 0.51 0.00 -0.25 -1.51 0.00 0.00 179.97 178.76 1xza n ASP 139 N -4.75 0.11 -0.02 -3.80 8.00 -0.17 -1.22 116.55 114.69 1xza n ASP 139 Ca 0.20 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.35 1xza n ASP 139 Cb 0.46 -0.55 0.39 0.00 -0.02 0.00 0.00 41.12 41.40 1xza n ASP 139 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1xza n LYS 140 N -1.62 0.07 -2.71 -1.24 5.02 -0.11 -4.74 118.16 112.84 1xza n LYS 140 Ca 0.03 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1xza n LYS 140 Cb 0.18 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1xza n LYS 140 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xza s ILE 141 N -2.95 4.13 0.15 -0.18 1.01 -0.36 -1.78 121.20 121.21 1xza s ILE 141 Ca 0.14 0.39 0.30 0.00 0.00 0.00 0.00 60.65 61.47 1xza s ILE 141 Cb 0.18 -4.70 0.33 0.00 0.01 0.00 0.00 42.46 38.28 1xza s ILE 141 CO 0.63 -1.39 1.94 0.00 0.00 0.00 0.00 174.94 176.12 1xza h ALA 142 N 9.57 1.03 -1.62 9.38 0.00 -1.16 -3.46 119.26 133.00 1xza h ALA 142 Ca -0.27 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.62 1xza h ALA 142 Cb 1.06 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.59 1xza h ALA 142 CO 1.17 0.11 0.46 0.20 0.00 0.00 0.00 179.25 181.19 1xza s GLY 143 N -4.22 -0.21 -0.02 0.00 0.00 -1.26 -4.78 107.32 96.83 1xza s GLY 143 Ca 0.01 2.43 0.03 0.00 0.00 0.00 0.00 44.72 47.18 1xza s GLY 143 CO 0.58 1.58 -0.11 -1.59 0.00 0.00 0.00 173.10 173.56 1xza s THR 144 N -0.18 0.87 -0.06 0.90 2.01 -0.00 -1.64 115.64 117.54 1xza s THR 144 Ca 0.01 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.62 1xza s THR 144 Cb -0.04 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 1xza s THR 144 CO -0.03 0.26 -0.22 0.68 -0.69 0.00 0.00 174.62 174.62 1xza s VAL 145 N -0.06 2.34 -0.08 3.82 -7.23 -0.65 -1.23 120.40 117.31 1xza s VAL 145 Ca 0.01 -0.96 0.03 0.00 -1.81 0.00 0.00 61.98 59.25 1xza s VAL 145 Cb -0.06 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 35.00 1xza s VAL 145 CO 0.00 0.57 -0.18 -0.76 -0.31 0.00 0.00 175.10 174.42 1xza s LEU 146 N -0.20 1.85 -0.07 1.32 1.43 -0.31 -1.94 118.68 120.77 1xza s LEU 146 Ca -0.02 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1xza s LEU 146 Cb -0.13 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1xza s LEU 146 CO 0.03 0.09 -0.19 -0.36 0.23 0.00 0.00 176.35 176.15 1xza s PHE 147 N 0.52 2.59 -1.35 0.29 0.40 -0.40 -0.81 117.98 119.23 1xza s PHE 147 Ca -0.17 -0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 55.65 1xza s PHE 147 Cb -0.17 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.72 1xza s PHE 147 CO 0.06 -0.07 0.68 0.41 0.70 0.00 0.00 175.22 177.00 1xza n GLY 148 N 2.82 -0.30 3.58 4.36 0.00 0.05 -1.02 105.19 114.68 1xza n GLY 148 Ca -0.17 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1xza n GLY 148 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xza s TYR 149 N -3.68 1.45 -0.03 1.61 5.04 -1.26 -3.24 117.35 117.23 1xza s TYR 149 Ca 0.07 0.79 0.31 0.00 -2.44 0.00 0.00 57.07 55.79 1xza s TYR 149 Cb -0.04 -3.96 1.40 0.00 0.35 0.00 0.00 41.96 39.72 1xza s TYR 149 CO 0.83 -3.16 1.92 1.79 -1.34 0.00 0.00 175.55 175.58 1xza h THR 150 N 7.09 0.00 -0.42 4.34 1.35 -1.75 -1.03 112.91 122.49 1xza h THR 150 Ca -0.33 -0.26 -0.07 0.00 -0.55 0.00 0.00 66.41 65.20 1xza h THR 150 Cb 1.21 1.09 -0.04 0.00 -1.73 0.00 0.00 68.15 68.68 1xza h THR 150 CO 1.05 0.00 0.05 0.29 -0.25 0.00 0.00 175.52 176.66 1xza n LYS 151 N -2.69 3.25 -0.13 4.72 4.76 -1.26 -4.74 118.16 122.07 1xza n LYS 151 Ca 0.00 -2.99 -0.07 0.00 -2.87 0.00 0.00 58.31 52.38 1xza n LYS 151 Cb 0.20 -1.99 0.01 0.00 -1.84 0.00 0.00 35.03 31.42 1xza n LYS 151 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1xza h ASN 152 N 2.21 0.36 -0.16 4.39 -0.73 -1.41 -0.19 115.58 120.06 1xza h ASN 152 Ca 0.09 0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.16 1xza h ASN 152 Cb 1.75 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 40.27 1xza h ASN 152 CO 0.40 0.26 -0.31 0.25 -0.37 0.00 0.00 177.43 177.66 1xza h LEU 153 N 0.46 0.54 -0.98 0.34 5.85 -1.82 0.77 115.31 120.48 1xza h LEU 153 Ca 0.16 -0.55 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 1xza h LEU 153 Cb 0.02 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1xza h LEU 153 CO -0.08 0.99 -0.03 1.56 -0.34 0.00 0.00 178.44 180.54 1xza h GLN 154 N 0.11 0.71 -0.44 1.25 7.50 -1.86 -1.72 115.11 120.66 1xza h GLN 154 Ca 0.01 -0.19 0.00 0.00 0.50 0.00 0.00 58.65 58.96 1xza h GLN 154 Cb 0.90 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.35 1xza h GLN 154 CO 0.07 0.74 0.00 0.09 -1.50 0.00 0.00 178.83 178.23 1xza n ASN 155 N -4.22 3.17 -3.82 1.46 3.02 -0.10 -4.96 115.26 109.81 1xza n ASN 155 Ca 0.02 -1.96 -0.27 0.00 -0.03 0.00 0.00 54.58 52.34 1xza n ASN 155 Cb 0.30 -0.29 0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1xza n ASN 155 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xza n ARG 156 N 1.27 -5.59 -1.14 3.52 5.12 -0.19 -1.95 116.66 117.70 1xza n ARG 156 Ca 0.20 0.63 -0.05 0.00 -1.93 0.00 0.00 57.85 56.69 1xza n ARG 156 Cb 0.54 -5.44 -0.02 0.00 -1.16 0.00 0.00 32.46 26.38 1xza n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xza n GLY 157 N -1.68 0.73 3.55 -0.13 0.00 0.09 -5.01 105.19 102.74 1xza n GLY 157 Ca -0.06 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 1xza n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xza s ARG 158 N -1.94 1.87 -0.24 1.61 1.81 -0.82 -4.91 118.95 116.33 1xza s ARG 158 Ca 0.00 -1.83 -0.08 0.00 -1.72 0.00 0.00 55.73 52.09 1xza s ARG 158 Cb 0.00 -1.79 -0.04 0.00 -0.45 0.00 0.00 34.95 32.67 1xza s ARG 158 CO 0.00 0.19 0.10 0.42 -0.68 0.00 0.00 175.30 175.34 1xza s ILE 159 N -2.55 4.76 0.23 1.52 1.01 -1.26 -4.80 121.20 120.10 1xza s ILE 159 Ca 0.32 -0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.64 1xza s ILE 159 Cb -0.00 -3.21 -0.14 0.00 0.01 0.00 0.00 42.46 39.11 1xza s ILE 159 CO 0.17 0.35 1.30 -2.65 0.00 0.00 0.00 174.94 174.11 1xza n PRO 160 N 4.56 1.75 -1.05 2.79 -0.02 -1.26 -1.99 135.00 139.78 1xza n PRO 160 Ca -0.16 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 61.93 1xza n PRO 160 Cb 0.52 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 1xza n PRO 160 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xza n ASN 161 N 1.97 -4.36 -4.06 2.55 3.02 -1.26 -4.12 115.26 109.00 1xza n ASN 161 Ca 0.12 0.04 -0.21 0.00 -0.03 0.00 0.00 54.58 54.50 1xza n ASN 161 Cb 0.30 -2.01 -0.15 0.00 -0.61 0.00 0.00 39.78 37.31 1xza n ASN 161 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xza s TYR 162 N -1.68 1.13 0.47 3.10 5.04 -0.84 -5.02 117.35 119.54 1xza s TYR 162 Ca 0.00 -0.25 -0.23 0.00 -2.44 0.00 0.00 57.07 54.15 1xza s TYR 162 Cb 0.00 -0.75 -0.07 0.00 0.35 0.00 0.00 41.96 41.49 1xza s TYR 162 CO 0.00 -0.06 1.25 -1.25 -1.34 0.00 0.00 175.55 174.15 1xza s PRO 163 N -0.13 3.65 0.35 4.97 0.04 -1.26 -4.57 135.00 138.06 1xza s PRO 163 Ca 0.02 1.99 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1xza s PRO 163 Cb -0.06 -2.46 0.66 0.00 0.04 0.00 0.00 34.50 32.67 1xza s PRO 163 CO 0.00 -0.70 1.88 0.00 0.04 0.00 0.00 177.00 178.22 1xza h ALA 164 N 2.06 1.40 0.00 8.56 0.00 -1.93 -2.47 119.26 126.88 1xza h ALA 164 Ca -0.50 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1xza h ALA 164 Cb 1.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xza h ALA 164 CO 0.60 0.41 0.00 0.38 0.00 0.00 0.00 179.25 180.64 1xza h ASP 165 N 0.40 0.00 -0.24 0.00 2.03 -2.01 -2.09 116.42 114.51 1xza h ASP 165 Ca 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1xza h ASP 165 Cb 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1xza h ASP 165 CO 0.02 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.77 1xza n ARG 166 N -2.43 2.42 -4.35 4.15 1.74 -0.94 -4.94 116.66 112.31 1xza n ARG 166 Ca 0.02 -2.14 -0.35 0.00 -0.77 0.00 0.00 57.85 54.61 1xza n ARG 166 Cb 0.25 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.11 1xza n ARG 166 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1xza s THR 167 N -1.69 4.32 -0.07 0.55 2.01 -0.79 -0.82 115.64 119.15 1xza s THR 167 Ca 0.34 -0.24 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 1xza s THR 167 Cb 0.21 -2.83 0.02 0.00 0.01 0.00 0.00 72.50 69.92 1xza s THR 167 CO 0.31 0.59 -0.04 -0.75 -0.69 0.00 0.00 174.62 174.04 1xza s LYS 168 N -0.72 0.90 -0.12 4.92 2.20 -0.37 -4.97 119.74 121.59 1xza s LYS 168 Ca 0.11 -0.06 -0.01 0.00 -0.36 0.00 0.00 55.97 55.65 1xza s LYS 168 Cb -0.12 -1.05 -0.03 0.00 -1.51 0.00 0.00 37.83 35.13 1xza s LYS 168 CO 0.02 -0.20 -0.06 0.08 -0.36 0.00 0.00 175.35 174.83 1xza s VAL 169 N 1.47 3.70 -0.32 4.02 1.01 -1.26 -1.17 120.40 127.86 1xza s VAL 169 Ca -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1xza s VAL 169 Cb -0.13 -2.57 0.06 0.00 0.00 0.00 0.00 36.38 33.74 1xza s VAL 169 CO -0.03 0.54 0.03 -0.36 0.00 0.00 0.00 175.10 175.28 1xza s PHE 170 N -0.09 3.35 -0.21 5.22 0.08 0.01 -4.96 117.98 121.38 1xza s PHE 170 Ca 0.01 -2.06 -0.02 0.00 0.12 0.00 0.00 56.93 54.99 1xza s PHE 170 Cb -0.13 -2.35 0.06 0.00 -0.57 0.00 0.00 43.02 40.03 1xza s PHE 170 CO 0.03 -0.85 0.01 0.00 -0.10 0.00 0.00 175.22 174.31 1xza s ASN 172 N 1.70 6.53 0.21 0.00 0.01 -1.26 -4.99 114.94 117.14 1xza s ASN 172 Ca -0.02 2.41 -0.32 0.00 -0.71 0.00 0.00 52.86 54.21 1xza s ASN 172 Cb -0.18 -2.62 -0.12 0.00 0.41 0.00 0.00 41.25 38.74 1xza s ASN 172 CO -0.08 -0.67 1.66 0.41 -1.51 0.00 0.00 177.10 176.91 1xza n THR 173 N 0.17 0.18 -0.43 1.60 -1.04 -1.26 -1.38 114.28 112.11 1xza n THR 173 Ca 0.04 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1xza n THR 173 Cb 0.46 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1xza n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xza n GLY 174 N 3.52 0.89 3.47 3.41 0.00 -1.26 -4.84 105.19 110.37 1xza n GLY 174 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1xza n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xza s ASP 175 N -3.00 6.22 0.61 1.61 -1.08 -0.48 -4.58 116.67 115.97 1xza s ASP 175 Ca 0.00 -0.85 0.36 0.00 -0.52 0.00 0.00 52.55 51.54 1xza s ASP 175 Cb 0.00 -2.41 2.02 0.00 -1.46 0.00 0.00 42.92 41.07 1xza s ASP 175 CO 0.00 -1.34 2.28 -0.07 0.52 0.00 0.00 175.17 176.56 1xza h LEU 176 N 11.09 0.00 -0.92 -1.34 3.38 -1.87 -1.08 115.31 124.57 1xza h LEU 176 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1xza h LEU 176 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xza h LEU 176 CO 1.14 0.01 0.00 -0.37 0.09 0.00 0.00 178.44 179.31 1xza h VAL 177 N 0.00 0.00 -0.00 1.22 -1.51 -1.70 -1.87 116.25 112.38 1xza h VAL 177 Ca -0.00 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1xza h VAL 177 Cb 0.05 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1xza h VAL 177 CO 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 177.57 176.22 1xza n THR 179 N -1.46 2.18 -0.39 0.00 -1.04 -0.80 -3.30 114.28 109.47 1xza n THR 179 Ca 0.08 -2.96 0.00 0.00 -2.04 0.00 0.00 64.05 59.13 1xza n THR 179 Cb 0.33 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 1xza n THR 179 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xza n GLY 180 N -1.18 0.75 3.87 3.41 0.00 -1.21 -4.97 105.19 105.86 1xza n GLY 180 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1xza n GLY 180 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xza s SER 181 N -2.53 4.96 -0.10 1.61 0.15 -0.77 -5.03 113.70 111.99 1xza s SER 181 Ca 0.00 -0.82 0.14 0.00 0.70 0.00 0.00 55.95 55.97 1xza s SER 181 Cb 0.00 -0.45 0.28 0.00 -1.71 0.00 0.00 66.02 64.14 1xza s SER 181 CO 0.00 -0.70 1.19 0.18 1.20 0.00 0.00 173.24 175.10 1xza n LEU 182 N -1.56 2.66 -4.73 3.45 4.77 -1.26 -3.90 117.00 116.42 1xza n LEU 182 Ca 0.03 -2.75 -0.41 0.00 -0.03 0.00 0.00 56.01 52.85 1xza n LEU 182 Cb 0.62 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1xza n LEU 182 CO 0.42 0.66 0.76 -0.63 -1.33 0.00 0.00 177.39 177.28 1xza s ILE 183 N -2.30 4.10 -0.37 -0.08 -1.09 -1.26 -4.97 121.20 115.22 1xza s ILE 183 Ca 0.27 1.74 -0.15 0.00 -2.23 0.00 0.00 60.65 60.27 1xza s ILE 183 Cb 0.22 -4.11 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1xza s ILE 183 CO 0.05 0.27 0.36 -0.69 -1.23 0.00 0.00 174.94 173.70 1xza s VAL 184 N 0.01 5.17 0.37 2.92 1.01 -1.26 -4.04 120.40 124.57 1xza s VAL 184 Ca 0.50 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.37 1xza s VAL 184 Cb -0.27 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1xza s VAL 184 CO 0.33 -0.20 0.10 0.00 0.00 0.00 0.00 175.10 175.32 1xza s ALA 185 N 1.97 3.41 0.32 5.51 0.00 -1.26 -5.03 121.76 126.67 1xza s ALA 185 Ca 0.10 -1.99 0.05 0.00 0.00 0.00 0.00 51.96 50.12 1xza s ALA 185 Cb -0.17 -0.45 0.69 0.00 0.00 0.00 0.00 23.12 23.19 1xza s ALA 185 CO 0.12 -0.03 1.86 0.00 0.00 0.00 0.00 175.76 177.71 1xza h ALA 186 N 1.61 1.68 -0.01 0.00 0.00 -1.97 -0.60 119.26 119.96 1xza h ALA 186 Ca -0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xza h ALA 186 Cb 1.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xza h ALA 186 CO 0.67 0.09 0.05 -1.35 0.00 0.00 0.00 179.25 178.72 1xza h PRO 187 N 0.84 0.00 0.00 0.00 0.11 -1.89 -1.12 132.00 129.94 1xza h PRO 187 Ca 0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.53 1xza h PRO 187 Cb 0.57 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 1xza h PRO 187 CO -0.22 0.00 -0.16 1.25 -0.21 0.00 0.00 178.00 178.66 1xza h HIS 188 N 0.00 0.00 -0.56 0.65 2.76 -1.40 -2.82 115.15 113.79 1xza h HIS 188 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1xza h HIS 188 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1xza h HIS 188 CO 0.00 0.16 0.00 1.28 -1.30 0.00 0.00 177.93 178.07 1xza n LEU 189 N -3.38 5.59 -1.89 0.26 4.32 -0.43 -4.57 117.00 116.91 1xza n LEU 189 Ca -0.00 -2.92 -0.21 0.00 -0.02 0.00 0.00 56.01 52.85 1xza n LEU 189 Cb 0.36 -0.67 0.04 0.00 -1.62 0.00 0.00 43.42 41.53 1xza n LEU 189 CO 0.31 0.64 0.26 0.00 -1.22 0.00 0.00 177.39 177.39 1xza n ALA 190 N 0.56 4.94 0.94 -1.18 0.00 -1.06 -4.67 120.51 120.05 1xza n ALA 190 Ca 0.27 -3.72 0.12 0.00 0.00 0.00 0.00 53.44 50.11 1xza n ALA 190 Cb 1.17 -0.40 0.27 0.00 0.00 0.00 0.00 19.45 20.49 1xza n ALA 190 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xza n TYR 191 N -0.77 0.18 -0.21 0.00 4.01 -1.26 -4.58 117.16 114.54 1xza n TYR 191 Ca 0.42 -0.09 -0.09 0.00 -0.16 0.00 0.00 57.90 57.98 1xza n TYR 191 Cb 0.93 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.92 1xza n TYR 191 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1xza h GLY 192 N 4.75 -0.52 0.54 2.72 0.00 -1.97 -1.42 103.07 107.17 1xza h GLY 192 Ca 0.00 0.58 0.09 0.00 0.00 0.00 0.00 47.33 48.01 1xza h GLY 192 CO 0.00 -0.15 0.48 -2.55 0.00 0.00 0.00 176.54 174.32 1xza h PRO 193 N -0.23 0.78 -0.72 4.80 0.11 -2.00 -1.76 132.00 132.98 1xza h PRO 193 Ca 0.17 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1xza h PRO 193 Cb 0.56 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 1xza h PRO 193 CO -0.69 0.52 0.22 -0.44 -0.21 0.00 0.00 178.00 177.40 1xza h ASP 194 N 0.81 1.05 0.53 -2.05 3.32 -1.63 -2.31 116.42 116.14 1xza h ASP 194 Ca 0.40 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 1xza h ASP 194 Cb 0.35 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1xza h ASP 194 CO -0.24 0.98 -0.32 0.00 -1.72 0.00 0.00 179.24 177.94 1xza h ALA 195 N 1.11 1.22 0.00 3.45 0.00 -0.61 -0.93 119.26 123.50 1xza h ALA 195 Ca 0.23 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1xza h ALA 195 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1xza h ALA 195 CO -0.01 0.40 -0.51 0.00 0.00 0.00 0.00 179.25 179.14 1xza h ARG 196 N 0.00 0.00 0.00 0.00 3.08 -0.97 -3.31 114.38 113.18 1xza h ARG 196 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xza h ARG 196 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1xza h ARG 196 CO 0.04 0.51 0.00 0.41 -1.07 0.00 0.00 179.97 179.86 1xza n GLY 197 N 0.93 0.12 0.25 0.04 0.00 -0.90 -4.88 105.19 100.75 1xza n GLY 197 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 1xza n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xza h PRO 198 N 0.00 0.34 0.02 1.61 0.13 -1.75 -1.01 132.00 131.34 1xza h PRO 198 Ca 0.00 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1xza h PRO 198 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 1xza h PRO 198 CO 0.00 0.44 -0.01 0.00 -0.23 0.00 0.00 178.00 178.20 1xza h ALA 199 N 1.59 -0.03 -0.89 -0.56 0.00 -1.45 -0.11 119.26 117.81 1xza h ALA 199 Ca 0.07 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1xza h ALA 199 Cb 0.36 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1xza h ALA 199 CO 0.02 -0.24 0.59 -1.00 0.00 0.00 0.00 179.25 178.61 1xza h PRO 200 N -0.57 1.11 -0.59 0.00 0.13 -1.75 -1.64 132.00 128.68 1xza h PRO 200 Ca -0.00 -0.07 0.07 0.00 -0.87 0.00 0.00 66.00 65.13 1xza h PRO 200 Cb 0.54 -0.25 -0.06 0.00 0.13 0.00 0.00 31.00 31.36 1xza h PRO 200 CO 0.00 0.73 0.28 1.49 -0.23 0.00 0.00 178.00 180.28 1xza h GLU 201 N 1.14 0.51 0.03 0.86 4.81 -0.98 0.43 114.58 121.39 1xza h GLU 201 Ca 0.34 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1xza h GLU 201 Cb -0.03 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1xza h GLU 201 CO -0.09 0.33 -0.02 0.35 -0.73 0.00 0.00 179.01 178.85 1xza h PHE 202 N 0.52 -0.04 -0.58 0.92 3.57 -0.49 -1.09 116.94 119.75 1xza h PHE 202 Ca 0.28 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.79 1xza h PHE 202 Cb 0.25 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1xza h PHE 202 CO -0.12 0.10 0.37 -0.07 -2.23 0.00 0.00 178.31 176.36 1xza h LEU 203 N -0.18 0.62 -0.38 0.59 3.38 -0.85 -0.75 115.31 117.74 1xza h LEU 203 Ca -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1xza h LEU 203 Cb 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1xza h LEU 203 CO 0.01 0.44 0.18 0.40 0.09 0.00 0.00 178.44 179.56 1xza h ILE 204 N 0.74 1.17 -0.72 1.22 2.04 -0.86 -1.04 117.51 120.06 1xza h ILE 204 Ca 0.22 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1xza h ILE 204 Cb -0.04 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1xza h ILE 204 CO -0.07 0.19 0.48 -0.08 0.00 0.00 0.00 178.15 178.66 1xza h GLU 205 N 0.47 0.94 -0.20 2.37 4.81 -0.86 -0.75 114.58 121.36 1xza h GLU 205 Ca 0.13 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1xza h GLU 205 Cb 0.13 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1xza h GLU 205 CO -0.02 0.62 -0.35 0.87 -0.73 0.00 0.00 179.01 179.40 1xza h LYS 206 N 0.97 0.43 -0.15 1.92 1.79 -0.75 -0.17 116.57 120.61 1xza h LYS 206 Ca 0.27 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1xza h LYS 206 Cb -0.10 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1xza h LYS 206 CO -0.06 0.73 -0.04 0.28 -1.08 0.00 0.00 179.45 179.28 1xza h VAL 207 N 0.37 1.29 0.00 0.50 2.07 -0.92 -3.04 116.25 116.52 1xza h VAL 207 Ca 0.04 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 1xza h VAL 207 Cb 0.80 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1xza h VAL 207 CO 0.06 0.29 -0.20 0.03 0.02 0.00 0.00 177.57 177.77 1xza h ARG 208 N -0.02 0.00 -0.47 1.57 3.08 -0.93 0.44 114.38 118.05 1xza h ARG 208 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1xza h ARG 208 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1xza h ARG 208 CO 0.01 0.20 0.12 0.00 -1.07 0.00 0.00 179.97 179.24 1xza h ALA 209 N 1.80 1.32 0.00 0.04 0.00 -0.91 0.26 119.26 121.77 1xza h ALA 209 Ca -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1xza h ALA 209 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1xza h ALA 209 CO 0.03 0.48 -2.01 1.33 0.00 0.00 0.00 179.25 179.08 1xza n VAL 210 N -4.30 0.59 0.42 0.00 0.24 -0.90 -4.42 118.33 109.96 1xza n VAL 210 Ca 0.03 -0.64 0.11 0.00 -2.04 0.00 0.00 64.34 61.81 1xza n VAL 210 Cb 0.21 -0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 32.27 1xza n VAL 210 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xza n ARG 211 N -2.50 0.38 0.00 7.34 1.74 0.10 -5.07 116.66 118.64 1xza n ARG 211 Ca -0.13 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1xza n ARG 211 Cb 0.78 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1xza n ARG 211 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xza n GLY 212 N 1.34 -0.30 0.00 -0.13 0.00 0.91 -5.02 105.19 101.99 1xza n GLY 212 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1xza n GLY 212 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06