#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cug n THR 18 N 0.00 0.37 -4.02 2.62 -2.24 -1.26 -4.65 114.28 105.10 1cug n THR 18 Ca 0.00 0.09 -0.30 0.00 -2.27 0.00 0.00 64.05 61.57 1cug n THR 18 Cb 0.00 -0.70 -0.16 0.00 -2.10 0.00 0.00 70.33 67.36 1cug n THR 18 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cug s THR 19 N -2.84 1.62 -0.07 4.28 2.01 -1.26 -0.50 115.64 118.88 1cug s THR 19 Ca 0.15 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1cug s THR 19 Cb 0.15 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 71.14 1cug s THR 19 CO 0.39 0.42 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.56 1cug s ARG 20 N 1.46 1.12 -0.35 4.92 1.81 -1.26 -4.98 118.95 121.67 1cug s ARG 20 Ca 0.04 -0.17 0.12 0.00 -1.72 0.00 0.00 55.73 54.00 1cug s ARG 20 Cb -0.13 -1.13 0.45 0.00 -0.45 0.00 0.00 34.95 33.68 1cug s ARG 20 CO -0.11 -0.13 1.08 -0.25 -0.68 0.00 0.00 175.30 175.21 1cug n ASP 21 N 4.36 3.32 -0.22 0.23 8.00 -1.25 -1.63 116.55 129.36 1cug n ASP 21 Ca -0.19 -3.18 0.00 0.00 0.71 0.00 0.00 54.79 52.14 1cug n ASP 21 Cb 0.51 -0.46 0.24 0.00 -0.02 0.00 0.00 41.12 41.39 1cug n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1cug h ASP 22 N 2.64 0.87 -0.09 -2.24 3.32 -1.66 -0.49 116.42 118.77 1cug h ASP 22 Ca 0.13 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1cug h ASP 22 Cb 1.16 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1cug h ASP 22 CO 0.63 0.63 -0.05 0.25 -1.72 0.00 0.00 179.24 178.99 1cug h LEU 23 N 1.02 0.20 -0.67 1.55 5.85 -1.90 0.17 115.31 121.54 1cug h LEU 23 Ca 0.28 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1cug h LEU 23 Cb -0.11 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1cug h LEU 23 CO -0.06 0.58 0.28 0.40 -0.34 0.00 0.00 178.44 179.30 1cug h ILE 24 N -0.17 1.24 0.00 4.05 2.04 -1.88 -2.97 117.51 119.81 1cug h ILE 24 Ca 0.02 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1cug h ILE 24 Cb 0.50 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1cug h ILE 24 CO 0.01 0.29 -0.33 0.78 0.00 0.00 0.00 178.15 178.90 1cug h ASN 25 N 0.94 0.00 -3.78 1.72 2.35 -1.13 -3.48 115.58 112.21 1cug h ASN 25 Ca 0.23 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.42 1cug h ASN 25 Cb 0.18 0.00 0.13 0.00 0.05 0.00 0.00 38.32 38.68 1cug h ASN 25 CO -0.02 0.14 0.57 0.61 -1.65 0.00 0.00 177.43 177.08 1cug n GLY 26 N 1.15 0.72 3.66 2.83 0.00 0.58 -4.98 105.19 109.15 1cug n GLY 26 Ca 0.02 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1cug n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cug s ASN 27 N -0.60 6.91 0.57 1.61 -0.87 -1.26 -4.93 114.94 116.36 1cug s ASN 27 Ca 0.63 1.13 0.27 0.00 -1.57 0.00 0.00 52.86 53.33 1cug s ASN 27 Cb -0.47 -2.46 1.68 0.00 -0.02 0.00 0.00 41.25 39.99 1cug s ASN 27 CO 0.56 -0.49 2.21 -1.28 -2.57 0.00 0.00 177.10 175.52 1cug h SER 28 N 7.52 0.00 1.05 -1.22 0.87 -1.94 -0.87 113.55 118.96 1cug h SER 28 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1cug h SER 28 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1cug h SER 28 CO 0.87 0.03 0.00 0.00 -0.53 0.00 0.00 176.83 177.20 1cug h ALA 29 N 1.97 1.00 -2.05 6.23 0.00 -1.91 -3.31 119.26 121.19 1cug h ALA 29 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1cug h ALA 29 Cb 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.46 1cug h ALA 29 CO 0.00 0.00 -1.09 -1.13 0.00 0.00 0.00 179.25 177.04 1cug n SER 30 N -2.40 1.36 -4.76 0.00 3.41 -0.34 -5.11 113.62 105.78 1cug n SER 30 Ca 0.03 -3.08 -0.39 0.00 -0.26 0.00 0.00 58.87 55.18 1cug n SER 30 Cb 0.31 -0.62 0.02 0.00 -0.26 0.00 0.00 64.21 63.67 1cug n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cug s ALA 32 N -1.31 2.66 0.02 0.00 0.00 -1.26 -4.97 121.76 116.90 1cug s ALA 32 Ca 0.66 -0.09 0.11 0.00 0.00 0.00 0.00 51.96 52.65 1cug s ALA 32 Cb -0.39 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1cug s ALA 32 CO 0.48 -1.27 1.39 -0.44 0.00 0.00 0.00 175.76 175.92 1cug h ASP 33 N -0.75 0.00 -3.82 0.00 3.32 -1.72 -3.42 116.42 110.03 1cug h ASP 33 Ca -0.45 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.10 1cug h ASP 33 Cb 1.23 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.47 1cug h ASP 33 CO 0.59 0.75 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.36 1cug s VAL 34 N -2.90 1.13 -0.13 -1.35 1.01 -1.05 -0.83 120.40 116.29 1cug s VAL 34 Ca 0.02 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1cug s VAL 34 Cb 0.09 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1cug s VAL 34 CO 0.78 0.34 -0.14 -0.63 0.00 0.00 0.00 175.10 175.45 1cug s ILE 35 N 0.16 1.47 -0.21 2.22 1.01 -0.57 -0.92 121.20 124.37 1cug s ILE 35 Ca -0.04 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 1cug s ILE 35 Cb -0.11 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1cug s ILE 35 CO 0.02 0.44 0.01 0.12 0.00 0.00 0.00 174.94 175.53 1cug s PHE 36 N 1.32 3.05 -0.18 3.97 5.36 0.08 -1.46 117.98 130.12 1cug s PHE 36 Ca 0.00 -0.45 -0.01 0.00 -0.96 0.00 0.00 56.93 55.51 1cug s PHE 36 Cb -0.14 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.43 1cug s PHE 36 CO -0.07 -0.26 -0.13 0.42 -1.46 0.00 0.00 175.22 173.72 1cug s ILE 37 N 1.11 2.76 -0.02 3.12 1.01 -0.77 -0.36 121.20 128.04 1cug s ILE 37 Ca 0.03 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.99 1cug s ILE 37 Cb -0.14 -2.20 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 1cug s ILE 37 CO 0.02 0.49 -0.11 -0.47 0.00 0.00 0.00 174.94 174.87 1cug s TYR 38 N 1.12 1.10 -0.18 3.97 5.04 -0.55 -2.11 117.35 125.74 1cug s TYR 38 Ca 0.01 -0.27 -0.03 0.00 -2.44 0.00 0.00 57.07 54.34 1cug s TYR 38 Cb -0.14 -0.76 -0.02 0.00 0.35 0.00 0.00 41.96 41.39 1cug s TYR 38 CO -0.04 -0.09 -0.05 0.00 -1.34 0.00 0.00 175.55 174.03 1cug s ALA 39 N 0.04 2.87 0.97 3.97 0.00 -0.62 -1.32 121.76 127.68 1cug s ALA 39 Ca -0.01 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 1cug s ALA 39 Cb -0.08 -1.60 0.18 0.00 0.00 0.00 0.00 23.12 21.62 1cug s ALA 39 CO 0.00 -0.09 1.17 -0.98 0.00 0.00 0.00 175.76 175.87 1cug s ARG 40 N 0.91 0.63 0.87 0.00 1.70 -1.26 -1.98 118.95 119.81 1cug s ARG 40 Ca -0.01 0.06 -0.10 0.00 -0.47 0.00 0.00 55.73 55.22 1cug s ARG 40 Cb -0.15 -1.80 0.17 0.00 -0.57 0.00 0.00 34.95 32.61 1cug s ARG 40 CO 0.01 -2.50 1.20 0.20 -1.08 0.00 0.00 175.30 173.13 1cug s GLY 41 N -4.22 1.77 0.31 3.88 0.00 -1.20 -2.37 107.32 105.50 1cug s GLY 41 Ca 0.67 -1.42 -0.29 0.00 0.00 0.00 0.00 44.72 43.68 1cug s GLY 41 CO 0.54 -0.72 1.45 -0.56 0.00 0.00 0.00 173.10 173.80 1cug s SER 42 N -4.84 6.55 0.00 1.64 0.01 -1.26 -2.81 113.70 112.99 1cug s SER 42 Ca 0.71 2.82 0.00 0.00 1.31 0.00 0.00 55.95 60.79 1cug s SER 42 Cb -0.04 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1cug s SER 42 CO 0.50 -0.74 0.00 0.41 0.41 0.00 0.00 173.24 173.81 1cug n THR 43 N 1.45 0.00 -1.99 1.44 -1.04 0.12 -4.96 114.28 109.31 1cug n THR 43 Ca 0.04 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.73 1cug n THR 43 Cb 0.40 -0.59 0.01 0.00 -1.82 0.00 0.00 70.33 68.33 1cug n THR 43 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1cug s GLU 44 N -1.18 3.43 0.62 -2.82 2.02 -1.12 -5.06 118.70 114.59 1cug s GLU 44 Ca 0.00 1.00 -0.04 0.00 0.02 0.00 0.00 54.97 55.95 1cug s GLU 44 Cb 0.00 -2.06 0.04 0.00 0.10 0.00 0.00 34.13 32.21 1cug s GLU 44 CO 0.00 -0.70 0.91 0.95 0.02 0.00 0.00 175.26 176.44 1cug s THR 45 N -2.77 2.90 0.00 3.63 -4.23 -1.26 -4.87 115.64 109.04 1cug s THR 45 Ca 0.60 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1cug s THR 45 Cb -0.13 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1cug s THR 45 CO 0.43 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1cug n GLY 46 N -2.65 1.56 0.08 3.99 0.00 -1.26 -1.74 105.19 105.16 1cug n GLY 46 Ca 0.06 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.60 1cug n GLY 46 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cug n ASN 47 N -1.98 1.51 -0.00 1.61 2.04 -0.03 -4.71 115.26 113.70 1cug n ASN 47 Ca 0.00 -1.41 0.02 0.00 -0.44 0.00 0.00 54.58 52.75 1cug n ASN 47 Cb 0.00 -0.01 -0.04 0.00 -2.53 0.00 0.00 39.78 37.20 1cug n ASN 47 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1cug n LEU 48 N -0.06 0.00 0.00 -4.53 4.77 0.34 -3.57 117.00 113.96 1cug n LEU 48 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1cug n LEU 48 Cb 0.13 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1cug n LEU 48 CO 0.01 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1cug n GLY 49 N 2.27 0.86 0.07 -0.72 0.00 -0.71 -2.36 105.19 104.60 1cug n GLY 49 Ca -0.02 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 1cug n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cug h THR 50 N 0.00 1.61 0.02 2.61 1.35 -1.98 -3.39 112.91 113.13 1cug h THR 50 Ca 0.00 -3.30 -0.35 0.00 -0.55 0.00 0.00 66.41 62.20 1cug h THR 50 Cb 0.00 2.83 -0.06 0.00 -1.73 0.00 0.00 68.15 69.19 1cug h THR 50 CO 0.00 0.93 -2.19 0.18 -0.25 0.00 0.00 175.52 174.19 1cug n LEU 51 N -3.36 1.17 -0.17 3.87 4.77 -1.26 -4.64 117.00 117.39 1cug n LEU 51 Ca -0.03 0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 1cug n LEU 51 Cb 0.96 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 42.03 1cug n LEU 51 CO 0.48 0.61 0.80 1.23 -1.33 0.00 0.00 177.39 179.18 1cug h GLY 52 N 3.10 0.46 0.54 -0.72 0.00 -1.66 -2.69 103.07 102.11 1cug h GLY 52 Ca -0.48 0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.08 1cug h GLY 52 CO 0.02 -0.18 0.61 -2.55 0.00 0.00 0.00 176.54 174.44 1cug h PRO 53 N 0.05 0.98 -0.51 4.80 0.11 -1.79 0.17 132.00 135.81 1cug h PRO 53 Ca 0.26 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1cug h PRO 53 Cb 0.40 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1cug h PRO 53 CO -0.49 0.65 0.25 0.77 -0.21 0.00 0.00 178.00 178.96 1cug h SER 54 N 1.01 0.66 -0.26 -2.05 0.02 -1.76 -0.78 113.55 110.39 1cug h SER 54 Ca 0.47 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1cug h SER 54 Cb 0.39 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1cug h SER 54 CO -0.24 0.60 0.03 0.40 -1.14 0.00 0.00 176.83 176.49 1cug h ILE 55 N 0.68 1.24 -0.37 3.27 2.04 -1.24 -3.05 117.51 120.08 1cug h ILE 55 Ca 0.18 -0.81 0.07 0.00 1.00 0.00 0.00 64.86 65.29 1cug h ILE 55 Cb 0.11 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1cug h ILE 55 CO -0.02 0.26 0.01 0.00 0.00 0.00 0.00 178.15 178.40 1cug h ALA 56 N 0.85 0.34 -0.96 1.87 0.00 -0.70 -1.39 119.26 119.28 1cug h ALA 56 Ca 0.08 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1cug h ALA 56 Cb 0.35 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1cug h ALA 56 CO 0.01 -0.39 0.61 0.77 0.00 0.00 0.00 179.25 180.25 1cug h SER 57 N 0.11 0.96 0.48 0.00 0.02 -1.12 -0.74 113.55 113.26 1cug h SER 57 Ca 0.18 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.99 1cug h SER 57 Cb 0.25 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1cug h SER 57 CO -0.29 0.60 -0.69 0.78 -1.14 0.00 0.00 176.83 176.09 1cug h ASN 58 N 1.09 0.22 -0.41 3.07 2.35 -1.29 -1.69 115.58 118.92 1cug h ASN 58 Ca 0.42 -0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.89 1cug h ASN 58 Cb 0.21 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1cug h ASN 58 CO -0.18 0.84 -0.27 -0.07 -1.65 0.00 0.00 177.43 176.10 1cug h LEU 59 N 0.13 0.94 -1.04 1.61 3.38 -0.58 -2.47 115.31 117.29 1cug h LEU 59 Ca -0.02 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1cug h LEU 59 Cb 1.23 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1cug h LEU 59 CO 0.10 1.16 0.32 -0.33 0.09 0.00 0.00 178.44 179.79 1cug h GLU 60 N 0.72 1.01 -0.70 1.13 5.08 -0.96 -0.14 114.58 120.72 1cug h GLU 60 Ca 0.08 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1cug h GLU 60 Cb 0.84 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1cug h GLU 60 CO 0.07 0.79 0.21 0.77 -1.00 0.00 0.00 179.01 179.86 1cug h SER 61 N 1.00 1.00 -0.02 1.42 0.02 -1.15 0.42 113.55 116.24 1cug h SER 61 Ca 0.24 -0.18 -0.18 0.00 -0.84 0.00 0.00 61.79 60.83 1cug h SER 61 Cb 0.12 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.41 1cug h SER 61 CO -0.03 0.94 -0.68 0.00 -1.14 0.00 0.00 176.83 175.92 1cug h ALA 62 N 1.20 0.11 0.00 3.77 0.00 -0.92 -3.37 119.26 120.05 1cug h ALA 62 Ca 0.23 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1cug h ALA 62 Cb 0.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1cug h ALA 62 CO -0.01 0.43 -0.68 1.19 0.00 0.00 0.00 179.25 180.18 1cug n PHE 63 N -4.14 0.00 0.00 0.00 3.72 -0.13 -5.11 117.46 111.80 1cug n PHE 63 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1cug n PHE 63 Cb 0.71 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 1cug n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cug n GLY 64 N 1.34 -0.44 0.18 1.37 0.00 0.15 -3.66 105.19 104.12 1cug n GLY 64 Ca 0.03 -1.57 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 1cug n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cug h LYS 65 N 0.00 0.20 -0.00 1.61 1.79 -1.91 -0.25 116.57 118.02 1cug h LYS 65 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1cug h LYS 65 Cb 0.00 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1cug h LYS 65 CO 0.00 0.14 -0.02 -0.25 -1.08 0.00 0.00 179.45 178.24 1cug n ASP 66 N -5.11 0.10 0.10 0.86 8.00 -1.26 -3.63 116.55 115.61 1cug n ASP 66 Ca 0.04 -0.46 0.10 0.00 0.71 0.00 0.00 54.79 55.18 1cug n ASP 66 Cb 0.20 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 1cug n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cug n GLY 67 N 1.21 -1.43 2.91 0.44 0.00 -0.12 -4.56 105.19 103.64 1cug n GLY 67 Ca 0.17 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1cug n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cug s VAL 68 N -3.33 0.30 -0.17 1.61 0.11 -1.10 -2.30 120.40 115.52 1cug s VAL 68 Ca -0.01 -0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 58.87 1cug s VAL 68 Cb 0.10 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.62 1cug s VAL 68 CO 0.79 0.11 0.01 0.26 -3.33 0.00 0.00 175.10 172.95 1cug s TRP 69 N 0.18 3.14 -0.24 1.54 0.51 -0.10 -4.89 118.94 119.08 1cug s TRP 69 Ca -0.02 -0.12 -0.09 0.00 -2.12 0.00 0.00 56.10 53.75 1cug s TRP 69 Cb -0.05 -2.02 -0.04 0.00 -0.81 0.00 0.00 33.47 30.55 1cug s TRP 69 CO -0.00 0.05 0.12 0.42 -0.51 0.00 0.00 176.95 177.03 1cug s ILE 70 N 0.38 4.92 -0.15 2.03 -1.09 -1.26 -0.74 121.20 125.28 1cug s ILE 70 Ca -0.01 0.03 -0.01 0.00 -2.23 0.00 0.00 60.65 58.43 1cug s ILE 70 Cb -0.13 -3.29 0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1cug s ILE 70 CO 0.02 0.35 -0.01 -1.58 -1.23 0.00 0.00 174.94 172.48 1cug s GLN 71 N 1.22 1.02 0.46 2.79 2.00 0.51 -1.56 119.66 126.11 1cug s GLN 71 Ca 0.06 -0.35 -0.06 0.00 -2.00 0.00 0.00 55.36 53.01 1cug s GLN 71 Cb -0.14 -1.81 -0.04 0.00 0.80 0.00 0.00 33.01 31.82 1cug s GLN 71 CO 0.05 -0.47 0.77 0.20 -0.50 0.00 0.00 175.29 175.35 1cug s GLY 72 N 1.77 1.57 -0.54 2.59 0.00 -0.64 -1.49 107.32 110.58 1cug s GLY 72 Ca 0.01 -0.47 -0.20 0.00 0.00 0.00 0.00 44.72 44.06 1cug s GLY 72 CO -0.07 -0.31 0.72 0.14 0.00 0.00 0.00 173.10 173.59 1cug s VAL 73 N -2.67 4.73 0.00 1.40 1.01 -0.43 -4.85 120.40 119.59 1cug s VAL 73 Ca 0.48 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1cug s VAL 73 Cb -0.10 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1cug s VAL 73 CO 0.42 -0.96 0.00 0.61 0.00 0.00 0.00 175.10 175.17 1cug n GLY 74 N 5.19 1.32 7.00 4.51 0.00 -1.26 -4.76 105.19 117.19 1cug n GLY 74 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1cug n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cug n GLY 75 N 5.00 3.07 0.13 -0.02 0.00 -1.26 -1.44 105.19 110.67 1cug n GLY 75 Ca 0.00 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.43 1cug n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cug h ALA 76 N -0.79 1.00 -1.47 4.61 0.00 -1.94 -3.41 119.26 117.26 1cug h ALA 76 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1cug h ALA 76 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1cug h ALA 76 CO 0.00 0.00 1.01 -0.47 0.00 0.00 0.00 179.25 179.79 1cug s TYR 77 N -3.22 2.43 -0.90 0.00 5.04 -0.52 -4.50 117.35 115.68 1cug s TYR 77 Ca 0.08 0.13 0.25 0.00 -2.44 0.00 0.00 57.07 55.09 1cug s TYR 77 Cb 0.11 -4.57 0.50 0.00 0.35 0.00 0.00 41.96 38.35 1cug s TYR 77 CO 0.52 -1.85 1.41 0.54 -1.34 0.00 0.00 175.55 174.83 1cug n ARG 78 N 8.93 0.08 -3.64 4.97 5.12 -1.26 -4.73 116.66 126.12 1cug n ARG 78 Ca 0.05 0.02 -0.22 0.00 -1.93 0.00 0.00 57.85 55.77 1cug n ARG 78 Cb 0.49 -1.55 0.05 0.00 -1.16 0.00 0.00 32.46 30.30 1cug n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cug n ALA 79 N -1.59 -1.84 -2.63 7.54 0.00 -1.26 -4.71 120.51 116.01 1cug n ALA 79 Ca 0.05 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 1cug n ALA 79 Cb 0.36 -2.82 -0.02 0.00 0.00 0.00 0.00 19.45 16.97 1cug n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cug s THR 80 N -3.49 4.65 0.23 0.00 2.01 -1.26 -0.70 115.64 117.08 1cug s THR 80 Ca 0.16 1.96 -0.08 0.00 0.31 0.00 0.00 61.69 64.04 1cug s THR 80 Cb -0.08 -4.26 0.23 0.00 0.01 0.00 0.00 72.50 68.40 1cug s THR 80 CO 0.78 -0.10 1.66 0.25 -0.69 0.00 0.00 174.62 176.52 1cug h LEU 81 N 8.88 -0.21 -2.16 4.42 5.85 -1.92 -1.10 115.31 129.07 1cug h LEU 81 Ca -0.25 0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1cug h LEU 81 Cb 1.10 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1cug h LEU 81 CO 0.93 -0.11 0.18 1.23 -0.34 0.00 0.00 178.44 180.32 1cug h GLY 82 N 0.16 0.00 1.95 3.75 0.00 -2.02 -1.93 103.07 104.98 1cug h GLY 82 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1cug h GLY 82 CO -0.57 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.19 1cug n ASP 83 N -4.08 0.00 0.26 0.19 8.00 -0.42 -2.21 116.55 118.29 1cug n ASP 83 Ca 0.02 0.46 0.12 0.00 0.71 0.00 0.00 54.79 56.09 1cug n ASP 83 Cb 0.31 -0.47 0.70 0.00 -0.02 0.00 0.00 41.12 41.63 1cug n ASP 83 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1cug h ASN 84 N 0.00 0.00 0.58 -2.24 2.35 -1.50 -2.40 115.58 112.37 1cug h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cug h ASN 84 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1cug h ASN 84 CO 0.00 0.13 -0.18 0.00 -1.65 0.00 0.00 177.43 175.73 1cug n ALA 85 N -2.30 2.84 -1.49 -0.83 0.00 -0.94 -4.32 120.51 113.47 1cug n ALA 85 Ca -0.02 -0.24 -0.32 0.00 0.00 0.00 0.00 53.44 52.86 1cug n ALA 85 Cb 0.24 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.43 1cug n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cug s LEU 86 N -2.76 3.26 0.22 0.00 1.43 -0.93 -4.90 118.68 115.01 1cug s LEU 86 Ca 0.20 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 1cug s LEU 86 Cb 0.19 -4.53 0.29 0.00 0.03 0.00 0.00 46.19 42.17 1cug s LEU 86 CO 0.55 -1.60 1.36 -2.65 0.23 0.00 0.00 176.35 174.24 1cug n PRO 87 N -2.78 -0.16 -0.12 1.29 -0.02 -1.26 -0.34 135.00 131.62 1cug n PRO 87 Ca 0.09 1.36 0.10 0.00 -2.02 0.00 0.00 63.50 63.03 1cug n PRO 87 Cb 0.53 -2.02 0.32 0.00 -0.02 0.00 0.00 33.50 32.31 1cug n PRO 87 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1cug n ARG 88 N -5.34 1.88 -0.71 -0.52 1.74 -1.26 -4.90 116.66 107.55 1cug n ARG 88 Ca 0.11 -1.34 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 1cug n ARG 88 Cb 0.39 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1cug n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cug n GLY 89 N 1.19 0.69 3.86 -0.13 0.00 0.54 -4.73 105.19 106.61 1cug n GLY 89 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 1cug n GLY 89 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cug s THR 90 N -2.34 0.00 0.48 2.61 -1.32 -1.07 -4.20 115.64 109.81 1cug s THR 90 Ca 0.00 -0.71 -0.06 0.00 -1.21 0.00 0.00 61.69 59.71 1cug s THR 90 Cb 0.00 -2.85 -0.04 0.00 -1.51 0.00 0.00 72.50 68.10 1cug s THR 90 CO 0.00 0.00 0.80 -0.94 -2.21 0.00 0.00 174.62 172.27 1cug s SER 91 N -3.29 6.27 0.22 8.08 1.04 -1.26 -4.73 113.70 120.02 1cug s SER 91 Ca 0.20 0.95 -0.05 0.00 0.48 0.00 0.00 55.95 57.53 1cug s SER 91 Cb -0.03 -2.26 0.21 0.00 0.10 0.00 0.00 66.02 64.03 1cug s SER 91 CO 0.07 -0.58 1.71 0.28 0.98 0.00 0.00 173.24 175.70 1cug h SER 92 N 0.23 0.92 -0.83 7.02 0.02 -2.00 -2.52 113.55 116.40 1cug h SER 92 Ca -0.47 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.28 1cug h SER 92 Cb 1.20 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.45 1cug h SER 92 CO 0.62 0.96 0.53 0.00 -1.14 0.00 0.00 176.83 177.80 1cug h ALA 93 N 1.14 1.09 -0.55 3.77 0.00 -1.94 -1.39 119.26 121.38 1cug h ALA 93 Ca 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1cug h ALA 93 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1cug h ALA 93 CO 0.02 0.37 0.01 0.00 0.00 0.00 0.00 179.25 179.65 1cug h ALA 94 N 1.34 0.73 -0.64 0.00 0.00 -1.69 -1.92 119.26 117.08 1cug h ALA 94 Ca 0.33 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1cug h ALA 94 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1cug h ALA 94 CO -0.11 0.55 0.29 0.82 0.00 0.00 0.00 179.25 180.80 1cug h ILE 95 N 0.84 1.23 -0.80 0.00 2.04 -1.06 -1.42 117.51 118.33 1cug h ILE 95 Ca 0.16 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1cug h ILE 95 Cb 0.52 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1cug h ILE 95 CO 0.03 0.27 0.45 -0.09 0.00 0.00 0.00 178.15 178.81 1cug h ARG 96 N 0.89 1.10 -0.11 2.37 2.43 -1.07 -0.14 114.38 119.86 1cug h ARG 96 Ca 0.22 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1cug h ARG 96 Cb 0.15 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1cug h ARG 96 CO -0.02 0.80 0.03 1.49 -1.51 0.00 0.00 179.97 180.75 1cug h GLU 97 N 1.11 0.17 -0.34 0.20 4.57 -0.68 -1.10 114.58 118.51 1cug h GLU 97 Ca 0.28 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.30 1cug h GLU 97 Cb 0.00 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1cug h GLU 97 CO -0.05 0.34 -0.31 1.98 -1.18 0.00 0.00 179.01 179.79 1cug h MET 98 N -0.03 0.73 -0.84 1.92 4.05 -0.96 -2.37 114.93 117.44 1cug h MET 98 Ca 0.03 -0.34 -0.00 0.00 -0.28 0.00 0.00 59.70 59.12 1cug h MET 98 Cb 0.24 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 1cug h MET 98 CO 0.00 0.95 0.51 -0.07 0.23 0.00 0.00 176.91 178.53 1cug h LEU 99 N 0.62 1.01 -1.47 3.39 3.38 -0.96 -1.86 115.31 119.41 1cug h LEU 99 Ca 0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1cug h LEU 99 Cb 0.84 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1cug h LEU 99 CO 0.07 0.77 0.14 1.23 0.09 0.00 0.00 178.44 180.74 1cug h GLY 100 N 1.15 0.53 1.05 0.83 0.00 -0.80 -0.83 103.07 105.00 1cug h GLY 100 Ca 0.30 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 1cug h GLY 100 CO -0.06 0.23 -0.47 1.41 0.00 0.00 0.00 176.54 177.66 1cug h LEU 101 N 0.49 0.85 -0.70 3.11 3.38 -0.86 0.17 115.31 121.76 1cug h LEU 101 Ca 0.12 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1cug h LEU 101 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1cug h LEU 101 CO -0.01 1.23 0.33 -0.26 0.09 0.00 0.00 178.44 179.81 1cug h PHE 102 N 0.51 1.02 -0.67 1.13 0.04 -1.00 -0.50 116.94 117.47 1cug h PHE 102 Ca 0.01 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 1cug h PHE 102 Cb 1.07 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.88 1cug h PHE 102 CO 0.08 0.76 0.12 1.96 -0.60 0.00 0.00 178.31 180.63 1cug h GLN 103 N 0.98 1.10 -0.80 1.51 4.20 -1.03 -1.54 115.11 119.52 1cug h GLN 103 Ca 0.24 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1cug h GLN 103 Cb 0.13 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1cug h GLN 103 CO -0.03 1.00 0.46 1.96 -0.67 0.00 0.00 178.83 181.55 1cug h GLN 104 N 1.02 1.10 -0.46 1.46 4.20 -0.54 -1.67 115.11 120.22 1cug h GLN 104 Ca 0.21 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1cug h GLN 104 Cb 0.42 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1cug h GLN 104 CO 0.01 0.80 0.18 0.00 -0.67 0.00 0.00 178.83 179.15 1cug h ALA 105 N 1.25 0.60 -0.69 3.87 0.00 -0.76 0.16 119.26 123.68 1cug h ALA 105 Ca 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1cug h ALA 105 Cb -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1cug h ALA 105 CO -0.05 0.21 0.33 -0.97 0.00 0.00 0.00 179.25 178.77 1cug h ASN 106 N 0.60 0.88 0.01 0.00 -1.24 -1.01 0.13 115.58 114.95 1cug h ASN 106 Ca 0.15 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 1cug h ASN 106 Cb 0.20 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.03 1cug h ASN 106 CO -0.01 0.75 -0.10 0.74 -1.29 0.00 0.00 177.43 177.52 1cug h THR 107 N 0.97 1.70 -0.40 -3.57 2.02 -1.03 -3.06 112.91 109.55 1cug h THR 107 Ca 0.24 -2.19 -0.07 0.00 0.77 0.00 0.00 66.41 65.16 1cug h THR 107 Cb 0.10 3.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 1cug h THR 107 CO -0.03 0.58 -0.01 0.50 0.37 0.00 0.00 175.52 176.92 1cug h LYS 108 N -0.83 0.71 -2.41 6.66 3.64 -0.69 -3.38 116.57 120.26 1cug h LYS 108 Ca -0.02 -0.23 -0.59 0.00 -1.27 0.00 0.00 60.65 58.54 1cug h LYS 108 Cb 1.00 -0.06 -0.39 0.00 -0.41 0.00 0.00 32.23 32.37 1cug h LYS 108 CO 0.02 0.81 -0.89 0.00 -2.27 0.00 0.00 179.45 177.12 1cug h PRO 110 N 5.10 0.00 -0.02 0.00 0.13 -1.68 -2.31 132.00 133.21 1cug h PRO 110 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1cug h PRO 110 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1cug h PRO 110 CO 0.50 0.00 -0.15 -0.25 -0.23 0.00 0.00 178.00 177.87 1cug n ASP 111 N -3.09 2.59 -4.79 1.44 8.00 -1.26 -4.96 116.55 114.48 1cug n ASP 111 Ca -0.03 -1.81 -0.35 0.00 0.71 0.00 0.00 54.79 53.31 1cug n ASP 111 Cb 0.13 0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1cug n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cug s ALA 112 N -2.15 3.05 0.02 2.24 0.00 -0.87 -5.01 121.76 119.04 1cug s ALA 112 Ca 0.26 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 1cug s ALA 112 Cb 0.19 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 1cug s ALA 112 CO 0.39 -0.09 0.57 0.99 0.00 0.00 0.00 175.76 177.61 1cug s THR 113 N -1.83 4.87 0.15 0.00 2.01 -0.01 -4.93 115.64 115.91 1cug s THR 113 Ca 0.59 1.20 0.04 0.00 0.31 0.00 0.00 61.69 63.83 1cug s THR 113 Cb -0.17 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1cug s THR 113 CO 0.22 0.47 0.19 -0.76 -0.69 0.00 0.00 174.62 174.04 1cug s LEU 114 N -0.50 4.00 0.04 4.42 1.43 -0.72 -1.51 118.68 125.84 1cug s LEU 114 Ca 0.30 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.33 1cug s LEU 114 Cb -0.18 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 1cug s LEU 114 CO 0.17 0.07 0.11 0.27 0.23 0.00 0.00 176.35 177.20 1cug s ILE 115 N -1.72 0.13 0.19 -0.59 -4.36 -0.53 -0.77 121.20 113.55 1cug s ILE 115 Ca 0.32 -1.05 -0.07 0.00 -0.26 0.00 0.00 60.65 59.59 1cug s ILE 115 Cb -0.11 -0.87 -0.02 0.00 1.25 0.00 0.00 42.46 42.71 1cug s ILE 115 CO 0.25 -0.58 0.28 0.00 0.24 0.00 0.00 174.94 175.13 1cug s ALA 116 N -2.54 0.33 0.04 2.27 0.00 -0.85 -1.84 121.76 119.16 1cug s ALA 116 Ca -0.05 -1.16 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 1cug s ALA 116 Cb -0.01 1.06 0.09 0.00 0.00 0.00 0.00 23.12 24.26 1cug s ALA 116 CO -0.04 -0.68 0.97 0.20 0.00 0.00 0.00 175.76 176.21 1cug s GLY 117 N -3.04 -0.36 -0.03 0.00 0.00 -0.90 -1.62 107.32 101.37 1cug s GLY 117 Ca 0.25 0.69 -0.29 0.00 0.00 0.00 0.00 44.72 45.37 1cug s GLY 117 CO 0.06 0.21 0.80 -0.32 0.00 0.00 0.00 173.10 173.84 1cug s GLY 118 N -2.68 -0.48 -0.07 0.20 0.00 -0.68 -1.59 107.32 102.03 1cug s GLY 118 Ca 0.09 1.30 0.03 0.00 0.00 0.00 0.00 44.72 46.14 1cug s GLY 118 CO -0.04 0.70 -0.17 -0.47 0.00 0.00 0.00 173.10 173.12 1cug s TYR 119 N -2.05 1.89 0.00 1.90 5.04 -0.84 -1.27 117.35 122.02 1cug s TYR 119 Ca -0.03 -0.70 0.00 0.00 -2.44 0.00 0.00 57.07 53.90 1cug s TYR 119 Cb -0.01 -1.31 0.00 0.00 0.35 0.00 0.00 41.96 41.00 1cug s TYR 119 CO -0.01 -0.30 0.00 0.45 -1.34 0.00 0.00 175.55 174.35 1cug n SER 120 N 3.58 0.00 -0.16 4.32 2.88 -0.18 -0.35 113.62 123.72 1cug n SER 120 Ca -0.21 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.43 1cug n SER 120 Cb 0.52 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.40 1cug n SER 120 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1cug h GLN 121 N 0.00 0.59 0.00 -1.46 4.15 -1.85 0.54 115.11 117.08 1cug h GLN 121 Ca 0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1cug h GLN 121 Cb 0.00 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1cug h GLN 121 CO 0.00 0.39 -0.18 0.78 -1.93 0.00 0.00 178.83 177.89 1cug h GLY 122 N 0.61 0.00 1.21 2.39 0.00 -0.31 0.35 103.07 107.32 1cug h GLY 122 Ca 0.32 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.45 1cug h GLY 122 CO -0.11 0.00 -0.63 0.00 0.00 0.00 0.00 176.54 175.80 1cug h ALA 123 N 1.82 0.44 -0.54 3.60 0.00 -0.84 -0.02 119.26 123.72 1cug h ALA 123 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 1cug h ALA 123 Cb 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1cug h ALA 123 CO 0.02 0.69 -0.04 0.00 0.00 0.00 0.00 179.25 179.92 1cug h ALA 124 N 0.68 0.74 -0.42 0.00 0.00 -1.02 -1.24 119.26 118.01 1cug h ALA 124 Ca -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1cug h ALA 124 Cb 1.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1cug h ALA 124 CO 0.13 0.59 0.23 1.25 0.00 0.00 0.00 179.25 181.46 1cug h LEU 125 N 0.86 0.52 -0.57 0.00 5.85 -0.85 0.10 115.31 121.23 1cug h LEU 125 Ca 0.15 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1cug h LEU 125 Cb 0.59 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1cug h LEU 125 CO 0.04 0.46 0.31 0.00 -0.34 0.00 0.00 178.44 178.91 1cug h ALA 126 N 1.08 0.73 -0.45 1.25 0.00 -0.83 -0.47 119.26 120.58 1cug h ALA 126 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1cug h ALA 126 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1cug h ALA 126 CO -0.02 0.26 0.16 0.00 0.00 0.00 0.00 179.25 179.64 1cug h ALA 127 N 1.14 0.59 -0.36 0.00 0.00 -0.96 -1.07 119.26 118.60 1cug h ALA 127 Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1cug h ALA 127 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1cug h ALA 127 CO -0.03 0.22 0.08 0.00 0.00 0.00 0.00 179.25 179.52 1cug h ALA 128 N 1.01 0.48 -0.42 0.00 0.00 -0.75 -1.65 119.26 117.92 1cug h ALA 128 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1cug h ALA 128 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1cug h ALA 128 CO -0.01 0.15 0.20 0.77 0.00 0.00 0.00 179.25 180.36 1cug h SER 129 N 0.43 0.56 -0.47 0.00 0.02 -0.94 -1.96 113.55 111.19 1cug h SER 129 Ca 0.11 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1cug h SER 129 Cb 0.31 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1cug h SER 129 CO 0.00 0.54 0.05 0.40 -1.14 0.00 0.00 176.83 176.68 1cug h ILE 130 N 0.54 1.24 -0.70 3.27 2.04 -1.14 -0.34 117.51 122.41 1cug h ILE 130 Ca 0.14 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 1cug h ILE 130 Cb 0.13 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1cug h ILE 130 CO -0.02 0.35 0.23 -0.08 0.00 0.00 0.00 178.15 178.63 1cug h GLU 131 N 0.81 1.08 0.00 2.37 4.81 -1.06 -2.97 114.58 119.62 1cug h GLU 131 Ca 0.16 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1cug h GLU 131 Cb 0.41 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1cug h GLU 131 CO 0.01 0.92 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.69 1cug h ASP 132 N 1.02 0.00 -3.88 1.04 3.32 -0.90 -3.48 116.42 113.55 1cug h ASP 132 Ca 0.23 -0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.71 1cug h ASP 132 Cb 0.28 0.00 0.15 0.00 0.22 0.00 0.00 39.33 39.98 1cug h ASP 132 CO -0.01 0.00 0.47 0.18 -1.72 0.00 0.00 179.24 178.16 1cug n LEU 133 N -2.76 5.07 -4.75 1.55 4.77 -0.18 -4.93 117.00 115.77 1cug n LEU 133 Ca 0.04 0.93 -0.41 0.00 -0.03 0.00 0.00 56.01 56.54 1cug n LEU 133 Cb 0.49 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.05 1cug n LEU 133 CO 0.33 -0.94 1.23 -0.62 -1.33 0.00 0.00 177.39 176.06 1cug s ASP 134 N -1.03 6.39 0.44 -1.43 2.15 -1.26 -4.78 116.67 117.14 1cug s ASP 134 Ca 0.74 2.94 0.12 0.00 0.43 0.00 0.00 52.55 56.77 1cug s ASP 134 Cb -0.42 -2.64 1.00 0.00 -0.30 0.00 0.00 42.92 40.56 1cug s ASP 134 CO 0.48 -0.90 2.03 0.77 -0.17 0.00 0.00 175.17 177.38 1cug h SER 135 N 4.77 0.36 -0.14 -0.34 4.64 -1.95 -1.14 113.55 119.75 1cug h SER 135 Ca -0.47 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1cug h SER 135 Cb 1.22 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1cug h SER 135 CO 0.78 0.24 0.08 0.00 -0.87 0.00 0.00 176.83 177.06 1cug h ALA 136 N 1.74 1.82 0.10 5.18 0.00 -1.99 0.60 119.26 126.71 1cug h ALA 136 Ca 0.20 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 1cug h ALA 136 Cb 0.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1cug h ALA 136 CO -0.05 0.15 -1.30 0.82 0.00 0.00 0.00 179.25 178.87 1cug h ILE 137 N 0.23 1.08 -0.95 0.00 2.04 -1.66 -3.34 117.51 114.91 1cug h ILE 137 Ca 0.06 -2.38 0.13 0.00 1.00 0.00 0.00 64.86 63.66 1cug h ILE 137 Cb 0.03 2.73 -0.09 0.00 -0.74 0.00 0.00 36.82 38.76 1cug h ILE 137 CO -0.01 0.67 0.57 -0.09 0.00 0.00 0.00 178.15 179.29 1cug h ARG 138 N -0.41 0.86 0.00 2.37 2.43 -0.95 -0.09 114.38 118.60 1cug h ARG 138 Ca -0.28 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1cug h ARG 138 Cb 1.67 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 1cug h ARG 138 CO 0.04 0.57 0.00 -0.25 -1.51 0.00 0.00 179.97 178.81 1cug n ASP 139 N -4.69 0.41 -0.06 -3.80 8.00 0.18 -1.52 116.55 115.06 1cug n ASP 139 Ca 0.18 0.65 0.13 0.00 0.71 0.00 0.00 54.79 56.46 1cug n ASP 139 Cb 0.37 -0.72 0.35 0.00 -0.02 0.00 0.00 41.12 41.11 1cug n ASP 139 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cug n LYS 140 N -2.01 0.23 -2.73 -1.24 5.02 -0.05 -4.74 118.16 112.65 1cug n LYS 140 Ca 0.01 -0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.75 1cug n LYS 140 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1cug n LYS 140 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1cug s ILE 141 N -2.85 4.10 0.35 -0.18 1.01 -0.58 -1.76 121.20 121.30 1cug s ILE 141 Ca 0.16 0.09 0.29 0.00 0.00 0.00 0.00 60.65 61.18 1cug s ILE 141 Cb 0.18 -4.75 0.30 0.00 0.01 0.00 0.00 42.46 38.21 1cug s ILE 141 CO 0.62 -1.54 2.04 0.00 0.00 0.00 0.00 174.94 176.07 1cug h ALA 142 N 9.69 1.18 -1.55 9.38 0.00 -1.24 -3.46 119.26 133.27 1cug h ALA 142 Ca -0.28 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.61 1cug h ALA 142 Cb 1.06 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.59 1cug h ALA 142 CO 1.20 0.15 0.54 0.20 0.00 0.00 0.00 179.25 181.34 1cug s GLY 143 N -4.21 -0.21 -0.02 0.00 0.00 -1.26 -4.78 107.32 96.85 1cug s GLY 143 Ca -0.02 2.25 0.01 0.00 0.00 0.00 0.00 44.72 46.96 1cug s GLY 143 CO 0.58 1.26 -0.04 -1.59 0.00 0.00 0.00 173.10 173.30 1cug s THR 144 N -0.74 0.38 -0.09 0.90 2.01 0.14 -2.02 115.64 116.22 1cug s THR 144 Ca -0.00 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 61.89 1cug s THR 144 Cb -0.02 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1cug s THR 144 CO -0.01 0.14 -0.18 0.68 -0.69 0.00 0.00 174.62 174.56 1cug s VAL 145 N 0.30 2.66 -0.10 3.82 -7.23 -0.64 -1.41 120.40 117.80 1cug s VAL 145 Ca -0.03 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1cug s VAL 145 Cb -0.07 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.83 1cug s VAL 145 CO -0.00 0.56 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.42 1cug s LEU 146 N -0.01 1.78 -0.09 1.32 1.43 -0.48 -1.69 118.68 120.94 1cug s LEU 146 Ca -0.06 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1cug s LEU 146 Cb -0.15 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 1cug s LEU 146 CO 0.05 0.04 -0.08 -0.36 0.23 0.00 0.00 176.35 176.22 1cug s PHE 147 N 0.84 2.90 -1.38 0.29 0.40 -0.40 -0.44 117.98 120.19 1cug s PHE 147 Ca -0.10 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1cug s PHE 147 Cb -0.15 -1.76 -0.00 0.00 0.51 0.00 0.00 43.02 41.62 1cug s PHE 147 CO 0.01 0.18 0.47 0.41 0.70 0.00 0.00 175.22 176.98 1cug n GLY 148 N 2.62 -0.27 3.58 4.36 0.00 -0.03 -1.01 105.19 114.44 1cug n GLY 148 Ca -0.18 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1cug n GLY 148 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cug s TYR 149 N -3.90 1.30 0.50 1.61 5.04 -1.26 -3.30 117.35 117.33 1cug s TYR 149 Ca 0.03 0.89 0.41 0.00 -2.44 0.00 0.00 57.07 55.95 1cug s TYR 149 Cb -0.01 -3.87 2.09 0.00 0.35 0.00 0.00 41.96 40.52 1cug s TYR 149 CO 0.88 -3.26 2.25 1.79 -1.34 0.00 0.00 175.55 175.88 1cug h THR 150 N 7.23 0.03 -0.35 4.34 1.35 -1.74 -1.45 112.91 122.32 1cug h THR 150 Ca -0.33 -0.17 -0.09 0.00 -0.55 0.00 0.00 66.41 65.27 1cug h THR 150 Cb 1.23 1.16 -0.06 0.00 -1.73 0.00 0.00 68.15 68.75 1cug h THR 150 CO 1.06 0.00 0.02 0.29 -0.25 0.00 0.00 175.52 176.64 1cug n LYS 151 N -3.12 2.61 -0.03 4.72 4.76 -1.26 -4.75 118.16 121.08 1cug n LYS 151 Ca -0.02 -2.98 -0.09 0.00 -2.87 0.00 0.00 58.31 52.35 1cug n LYS 151 Cb 0.14 -1.88 -0.03 0.00 -1.84 0.00 0.00 35.03 31.42 1cug n LYS 151 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1cug h ASN 152 N 1.58 -0.13 -0.04 4.39 -0.73 -1.49 -0.28 115.58 118.88 1cug h ASN 152 Ca 0.12 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 1cug h ASN 152 Cb 1.64 0.10 -0.00 0.00 0.27 0.00 0.00 38.32 40.32 1cug h ASN 152 CO 0.35 -0.04 -0.03 0.25 -0.37 0.00 0.00 177.43 177.59 1cug h LEU 153 N 0.02 0.10 -1.14 0.34 5.85 -1.83 0.27 115.31 118.92 1cug h LEU 153 Ca 0.09 -0.45 0.08 0.00 0.84 0.00 0.00 57.88 58.43 1cug h LEU 153 Cb 0.12 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1cug h LEU 153 CO -0.17 0.53 0.59 1.56 -0.34 0.00 0.00 178.44 180.62 1cug h GLN 154 N -0.33 0.96 -0.67 1.25 7.50 -1.87 -1.62 115.11 120.32 1cug h GLN 154 Ca 0.01 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1cug h GLN 154 Cb 0.50 -0.22 0.00 0.00 0.05 0.00 0.00 27.48 27.81 1cug h GLN 154 CO 0.01 0.64 0.00 0.09 -1.50 0.00 0.00 178.83 178.07 1cug n ASN 155 N -4.51 3.70 -3.78 1.46 3.02 -0.12 -4.96 115.26 110.07 1cug n ASN 155 Ca 0.15 -2.00 -0.29 0.00 -0.03 0.00 0.00 54.58 52.41 1cug n ASN 155 Cb 0.24 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1cug n ASN 155 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1cug n ARG 156 N 1.53 -5.54 -1.23 3.52 5.12 -0.59 -1.72 116.66 117.75 1cug n ARG 156 Ca 0.23 0.63 -0.08 0.00 -1.93 0.00 0.00 57.85 56.70 1cug n ARG 156 Cb 0.59 -5.52 -0.03 0.00 -1.16 0.00 0.00 32.46 26.33 1cug n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1cug n GLY 157 N -1.67 0.98 3.55 -0.13 0.00 0.86 -5.01 105.19 103.77 1cug n GLY 157 Ca 0.03 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 1cug n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cug s ARG 158 N -2.50 1.84 -0.21 1.61 1.81 -0.70 -4.90 118.95 115.90 1cug s ARG 158 Ca 0.00 -2.03 -0.04 0.00 -1.72 0.00 0.00 55.73 51.94 1cug s ARG 158 Cb 0.00 -1.37 -0.01 0.00 -0.45 0.00 0.00 34.95 33.12 1cug s ARG 158 CO 0.00 -0.09 -0.03 0.42 -0.68 0.00 0.00 175.30 174.93 1cug s ILE 159 N -2.91 3.60 0.21 1.52 1.01 -1.26 -4.80 121.20 118.57 1cug s ILE 159 Ca 0.35 -0.42 -0.32 0.00 0.00 0.00 0.00 60.65 60.26 1cug s ILE 159 Cb 0.09 -2.63 -0.14 0.00 0.01 0.00 0.00 42.46 39.78 1cug s ILE 159 CO 0.17 0.42 1.33 -2.65 0.00 0.00 0.00 174.94 174.22 1cug n PRO 160 N 4.59 1.75 -1.10 2.79 -0.02 -1.26 -1.99 135.00 139.75 1cug n PRO 160 Ca -0.18 0.62 -0.04 0.00 -2.02 0.00 0.00 63.50 61.89 1cug n PRO 160 Cb 0.51 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1cug n PRO 160 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cug n ASN 161 N 2.16 -4.34 -4.06 2.55 3.02 -1.26 -4.18 115.26 109.14 1cug n ASN 161 Ca 0.13 0.09 -0.23 0.00 -0.03 0.00 0.00 54.58 54.54 1cug n ASN 161 Cb 0.29 -2.16 -0.16 0.00 -0.61 0.00 0.00 39.78 37.14 1cug n ASN 161 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1cug s TYR 162 N -1.83 1.32 0.43 3.10 5.04 -0.84 -5.02 117.35 119.55 1cug s TYR 162 Ca 0.00 -0.36 -0.26 0.00 -2.44 0.00 0.00 57.07 54.01 1cug s TYR 162 Cb 0.00 -0.91 -0.09 0.00 0.35 0.00 0.00 41.96 41.31 1cug s TYR 162 CO 0.00 -0.13 1.44 -1.25 -1.34 0.00 0.00 175.55 174.26 1cug s PRO 163 N 0.13 3.78 0.36 4.97 0.04 -1.26 -4.53 135.00 138.49 1cug s PRO 163 Ca -0.04 2.44 0.06 0.00 0.04 0.00 0.00 61.00 63.51 1cug s PRO 163 Cb -0.10 -2.72 0.68 0.00 0.04 0.00 0.00 34.50 32.39 1cug s PRO 163 CO 0.01 -0.75 1.90 0.00 0.04 0.00 0.00 177.00 178.21 1cug h ALA 164 N 2.48 1.44 0.00 8.56 0.00 -1.93 -2.47 119.26 127.33 1cug h ALA 164 Ca -0.51 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1cug h ALA 164 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cug h ALA 164 CO 0.62 0.40 0.00 0.38 0.00 0.00 0.00 179.25 180.65 1cug h ASP 165 N 0.43 0.00 -0.35 0.00 2.03 -2.01 -2.28 116.42 114.24 1cug h ASP 165 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1cug h ASP 165 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1cug h ASP 165 CO 0.01 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.76 1cug n ARG 166 N -3.01 2.49 -4.82 4.15 1.74 -0.94 -4.93 116.66 111.35 1cug n ARG 166 Ca 0.00 -2.25 -0.33 0.00 -0.77 0.00 0.00 57.85 54.50 1cug n ARG 166 Cb 0.26 -1.51 -0.13 0.00 -1.02 0.00 0.00 32.46 30.06 1cug n ARG 166 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1cug s THR 167 N -1.55 3.20 -0.09 0.55 2.01 -0.86 -0.68 115.64 118.22 1cug s THR 167 Ca 0.38 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 1cug s THR 167 Cb 0.23 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.49 1cug s THR 167 CO 0.32 0.58 -0.01 -0.75 -0.69 0.00 0.00 174.62 174.07 1cug s LYS 168 N -0.60 0.80 -0.14 4.92 2.20 -0.50 -4.96 119.74 121.47 1cug s LYS 168 Ca 0.09 -0.01 -0.04 0.00 -0.36 0.00 0.00 55.97 55.64 1cug s LYS 168 Cb -0.11 -1.20 -0.03 0.00 -1.51 0.00 0.00 37.83 34.97 1cug s LYS 168 CO 0.01 -0.33 0.00 0.08 -0.36 0.00 0.00 175.35 174.76 1cug s VAL 169 N 1.91 4.28 -0.36 4.02 1.01 -1.26 -1.39 120.40 128.62 1cug s VAL 169 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1cug s VAL 169 Cb -0.13 -2.87 0.07 0.00 0.00 0.00 0.00 36.38 33.46 1cug s VAL 169 CO -0.06 0.53 0.11 -0.36 0.00 0.00 0.00 175.10 175.32 1cug s PHE 170 N -0.09 3.40 -0.23 5.22 0.08 0.41 -4.97 117.98 121.81 1cug s PHE 170 Ca 0.04 -2.01 -0.01 0.00 0.12 0.00 0.00 56.93 55.07 1cug s PHE 170 Cb -0.13 -2.63 0.07 0.00 -0.57 0.00 0.00 43.02 39.76 1cug s PHE 170 CO 0.02 -0.86 0.02 0.00 -0.10 0.00 0.00 175.22 174.30 1cug s LYS 172 N 1.68 3.95 0.17 0.00 1.02 -1.26 -4.99 119.74 120.31 1cug s LYS 172 Ca -0.00 1.58 -0.32 0.00 0.02 0.00 0.00 55.97 57.26 1cug s LYS 172 Cb -0.18 -2.42 -0.10 0.00 -0.52 0.00 0.00 37.83 34.61 1cug s LYS 172 CO -0.11 -0.34 1.62 0.99 -0.92 0.00 0.00 175.35 176.59 1cug s THR 173 N -1.67 2.49 0.00 2.17 2.01 -1.26 -1.19 115.64 118.19 1cug s THR 173 Ca 0.61 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.94 1cug s THR 173 Cb -0.23 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.06 1cug s THR 173 CO 0.29 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 1cug n GLY 174 N 3.84 0.82 3.51 4.40 0.00 -1.26 -4.87 105.19 111.63 1cug n GLY 174 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1cug n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cug s ASP 175 N -2.40 6.18 0.59 1.61 -1.08 -0.33 -4.60 116.67 116.64 1cug s ASP 175 Ca 0.00 -0.72 0.29 0.00 -0.52 0.00 0.00 52.55 51.60 1cug s ASP 175 Cb 0.00 -2.50 1.69 0.00 -1.46 0.00 0.00 42.92 40.65 1cug s ASP 175 CO 0.00 -1.66 2.14 -0.07 0.52 0.00 0.00 175.17 176.10 1cug h LEU 176 N 12.32 0.00 -1.52 -1.34 3.38 -1.87 -1.89 115.31 124.39 1cug h LEU 176 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1cug h LEU 176 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1cug h LEU 176 CO 1.24 0.00 0.00 -0.37 0.09 0.00 0.00 178.44 179.40 1cug h VAL 177 N 0.00 0.00 -0.00 1.22 -1.51 -1.70 -1.51 116.25 112.74 1cug h VAL 177 Ca 0.06 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1cug h VAL 177 Cb 0.35 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1cug h VAL 177 CO -0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 177.57 176.17 1cug n THR 179 N -1.21 2.17 -0.59 0.00 -1.04 -0.62 -3.47 114.28 109.51 1cug n THR 179 Ca 0.11 -2.25 0.00 0.00 -2.04 0.00 0.00 64.05 59.86 1cug n THR 179 Cb 0.31 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 1cug n THR 179 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1cug n GLY 180 N -1.00 0.71 3.80 3.41 0.00 -1.20 -4.97 105.19 105.94 1cug n GLY 180 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1cug n GLY 180 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cug s SER 181 N -2.08 4.78 -0.06 1.61 0.15 -0.87 -5.04 113.70 112.20 1cug s SER 181 Ca 0.00 -0.84 0.10 0.00 0.70 0.00 0.00 55.95 55.90 1cug s SER 181 Cb 0.00 -0.61 0.24 0.00 -1.71 0.00 0.00 66.02 63.95 1cug s SER 181 CO 0.00 -0.52 1.18 0.18 1.20 0.00 0.00 173.24 175.29 1cug n LEU 182 N -1.34 2.69 -4.73 3.45 4.77 -1.26 -3.91 117.00 116.66 1cug n LEU 182 Ca 0.00 -2.39 -0.41 0.00 -0.03 0.00 0.00 56.01 53.19 1cug n LEU 182 Cb 0.62 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1cug n LEU 182 CO 0.44 0.64 0.72 -0.63 -1.33 0.00 0.00 177.39 177.23 1cug s ILE 183 N -1.68 4.21 -0.40 -0.08 -1.09 -1.26 -4.97 121.20 115.93 1cug s ILE 183 Ca 0.21 1.89 -0.15 0.00 -2.23 0.00 0.00 60.65 60.36 1cug s ILE 183 Cb 0.15 -4.20 0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1cug s ILE 183 CO 0.07 0.31 0.34 -0.69 -1.23 0.00 0.00 174.94 173.74 1cug s VAL 184 N -0.17 5.20 0.39 2.92 1.01 -1.26 -4.05 120.40 124.44 1cug s VAL 184 Ca 0.48 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1cug s VAL 184 Cb -0.26 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1cug s VAL 184 CO 0.32 -0.27 0.17 0.00 0.00 0.00 0.00 175.10 175.31 1cug s ALA 185 N 1.85 3.55 0.28 5.51 0.00 -1.26 -5.04 121.76 126.66 1cug s ALA 185 Ca 0.08 -2.01 0.02 0.00 0.00 0.00 0.00 51.96 50.05 1cug s ALA 185 Cb -0.18 -0.51 0.67 0.00 0.00 0.00 0.00 23.12 23.10 1cug s ALA 185 CO 0.11 -0.10 1.71 0.00 0.00 0.00 0.00 175.76 177.49 1cug h ALA 186 N 1.47 1.37 -0.01 0.00 0.00 -1.98 -0.83 119.26 119.29 1cug h ALA 186 Ca -0.43 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1cug h ALA 186 Cb 1.25 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1cug h ALA 186 CO 0.67 -0.28 0.03 -1.35 0.00 0.00 0.00 179.25 178.32 1cug h PRO 187 N 0.45 0.00 0.00 0.00 0.11 -1.89 -1.35 132.00 129.31 1cug h PRO 187 Ca 0.53 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.62 1cug h PRO 187 Cb 0.94 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1cug h PRO 187 CO -0.48 0.00 -0.06 1.25 -0.21 0.00 0.00 178.00 178.49 1cug h HIS 188 N 0.00 0.00 -0.53 0.65 2.76 -1.45 -2.49 115.15 114.09 1cug h HIS 188 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1cug h HIS 188 Cb 0.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1cug h HIS 188 CO 0.00 0.06 0.00 1.28 -1.30 0.00 0.00 177.93 177.97 1cug n LEU 189 N -3.26 4.95 -1.20 0.26 4.32 -0.51 -4.56 117.00 117.00 1cug n LEU 189 Ca -0.01 -2.75 -0.05 0.00 -0.02 0.00 0.00 56.01 53.18 1cug n LEU 189 Cb 0.27 -0.60 0.20 0.00 -1.62 0.00 0.00 43.42 41.67 1cug n LEU 189 CO 0.28 0.70 0.72 0.00 -1.22 0.00 0.00 177.39 177.87 1cug n ALA 190 N 0.56 4.32 1.33 -1.18 0.00 -0.94 -4.64 120.51 119.97 1cug n ALA 190 Ca 0.25 -3.10 0.12 0.00 0.00 0.00 0.00 53.44 50.71 1cug n ALA 190 Cb 1.01 -0.77 0.43 0.00 0.00 0.00 0.00 19.45 20.12 1cug n ALA 190 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cug n TYR 191 N -1.10 0.14 -0.11 0.00 4.01 -1.26 -4.44 117.16 114.39 1cug n TYR 191 Ca 0.34 -0.07 -0.10 0.00 -0.16 0.00 0.00 57.90 57.91 1cug n TYR 191 Cb 1.06 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.04 1cug n TYR 191 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1cug h GLY 192 N 4.97 -0.55 0.87 2.72 0.00 -1.97 -1.19 103.07 107.92 1cug h GLY 192 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 47.33 47.91 1cug h GLY 192 CO 0.00 -0.19 0.62 -2.55 0.00 0.00 0.00 176.54 174.42 1cug h PRO 193 N -0.33 1.11 -0.80 4.80 0.11 -1.99 -2.21 132.00 132.69 1cug h PRO 193 Ca 0.13 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 1cug h PRO 193 Cb 0.58 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 1cug h PRO 193 CO -0.56 0.74 0.37 -0.44 -0.21 0.00 0.00 178.00 177.90 1cug h ASP 194 N 1.15 1.07 0.67 -2.05 3.32 -1.59 -2.14 116.42 116.85 1cug h ASP 194 Ca 0.40 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 1cug h ASP 194 Cb 0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1cug h ASP 194 CO -0.14 0.92 -0.27 0.00 -1.72 0.00 0.00 179.24 178.03 1cug h ALA 195 N 1.19 1.13 0.00 3.45 0.00 -0.71 -1.13 119.26 123.19 1cug h ALA 195 Ca 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1cug h ALA 195 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1cug h ALA 195 CO -0.03 0.33 -0.61 0.00 0.00 0.00 0.00 179.25 178.94 1cug h ARG 196 N 0.00 0.00 0.00 0.00 3.08 -0.96 -3.31 114.38 113.19 1cug h ARG 196 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cug h ARG 196 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1cug h ARG 196 CO 0.03 0.13 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 1cug n GLY 197 N 1.19 0.06 0.32 0.04 0.00 -0.85 -4.86 105.19 101.09 1cug n GLY 197 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1cug n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cug h PRO 198 N 0.00 0.46 0.53 1.61 0.13 -1.76 -1.21 132.00 131.77 1cug h PRO 198 Ca 0.00 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 1cug h PRO 198 Cb 0.00 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 31.03 1cug h PRO 198 CO 0.00 0.30 -0.26 0.00 -0.23 0.00 0.00 178.00 177.82 1cug h ALA 199 N 1.74 -0.72 -0.07 -0.56 0.00 -1.49 -0.52 119.26 117.64 1cug h ALA 199 Ca 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1cug h ALA 199 Cb 0.14 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1cug h ALA 199 CO -0.05 -0.77 -0.21 -1.00 0.00 0.00 0.00 179.25 177.23 1cug h PRO 200 N -0.99 0.12 -0.55 0.00 0.13 -1.75 -1.69 132.00 127.28 1cug h PRO 200 Ca -0.07 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1cug h PRO 200 Cb 0.63 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 1cug h PRO 200 CO 0.12 0.33 0.31 1.49 -0.23 0.00 0.00 178.00 180.02 1cug h GLU 201 N 0.11 0.59 -0.18 0.86 4.81 -1.08 0.57 114.58 120.26 1cug h GLU 201 Ca 0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1cug h GLU 201 Cb 0.44 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1cug h GLU 201 CO 0.03 0.39 0.07 0.35 -0.73 0.00 0.00 179.01 179.12 1cug h PHE 202 N 0.61 0.28 -0.56 0.92 3.57 -0.53 -1.54 116.94 119.70 1cug h PHE 202 Ca 0.23 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1cug h PHE 202 Cb 0.08 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1cug h PHE 202 CO -0.08 0.35 0.34 -0.07 -2.23 0.00 0.00 178.31 176.62 1cug h LEU 203 N 0.14 0.66 -0.48 0.59 3.38 -0.93 -0.79 115.31 117.88 1cug h LEU 203 Ca 0.06 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1cug h LEU 203 Cb 0.19 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1cug h LEU 203 CO -0.00 0.52 0.23 0.40 0.09 0.00 0.00 178.44 179.67 1cug h ILE 204 N 0.75 1.19 -0.53 1.22 2.04 -0.82 -1.38 117.51 119.98 1cug h ILE 204 Ca 0.20 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1cug h ILE 204 Cb -0.03 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1cug h ILE 204 CO -0.04 0.21 0.31 -0.08 0.00 0.00 0.00 178.15 178.55 1cug h GLU 205 N 0.63 0.73 -0.30 2.37 4.81 -0.94 -0.61 114.58 121.27 1cug h GLU 205 Ca 0.16 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1cug h GLU 205 Cb 0.12 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1cug h GLU 205 CO -0.02 0.55 -0.14 0.87 -0.73 0.00 0.00 179.01 179.53 1cug h LYS 206 N 0.71 0.53 -0.19 1.92 1.79 -0.87 0.10 116.57 120.55 1cug h LYS 206 Ca 0.19 -0.16 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 1cug h LYS 206 Cb 0.01 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1cug h LYS 206 CO -0.03 0.66 -0.16 0.28 -1.08 0.00 0.00 179.45 179.11 1cug h VAL 207 N 0.48 1.33 0.00 0.50 2.07 -0.97 -3.15 116.25 116.51 1cug h VAL 207 Ca 0.09 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 1cug h VAL 207 Cb 0.53 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1cug h VAL 207 CO 0.03 0.39 -0.29 0.03 0.02 0.00 0.00 177.57 177.75 1cug h ARG 208 N 0.12 0.00 -0.75 1.57 3.08 -0.82 0.70 114.38 118.27 1cug h ARG 208 Ca 0.03 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1cug h ARG 208 Cb 0.69 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 1cug h ARG 208 CO 0.04 0.29 0.50 0.00 -1.07 0.00 0.00 179.97 179.73 1cug h ALA 209 N 1.71 1.51 0.00 0.04 0.00 -0.94 0.98 119.26 122.56 1cug h ALA 209 Ca -0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 1cug h ALA 209 Cb 0.55 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1cug h ALA 209 CO 0.04 0.43 -2.26 1.33 0.00 0.00 0.00 179.25 178.79 1cug n VAL 210 N -4.44 0.97 0.70 0.00 0.24 -1.02 -4.48 118.33 110.30 1cug n VAL 210 Ca 0.09 -0.75 0.11 0.00 -2.04 0.00 0.00 64.34 61.75 1cug n VAL 210 Cb 0.07 -0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.09 1cug n VAL 210 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1cug n ARG 211 N -2.60 0.20 0.00 7.34 1.74 0.21 -5.06 116.66 118.48 1cug n ARG 211 Ca -0.24 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 1cug n ARG 211 Cb 0.98 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 1cug n ARG 211 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cug n GLY 212 N 1.42 0.40 0.00 -0.13 0.00 0.33 -5.02 105.19 102.20 1cug n GLY 212 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1cug n GLY 212 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06