#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qup h THR 3 N 0.00 1.12 0.00 4.28 1.35 -2.06 -1.99 112.91 115.61 1qup h THR 3 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1qup h THR 3 Cb 0.00 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1qup h THR 3 CO 0.00 0.16 0.00 -3.20 -0.25 0.00 0.00 175.52 172.23 1qup n ASN 4 N -4.37 0.64 0.10 5.36 5.15 -1.26 -2.39 115.26 118.48 1qup n ASN 4 Ca -0.01 0.66 0.12 0.00 -0.60 0.00 0.00 54.58 54.76 1qup n ASN 4 Cb 0.19 -0.80 0.21 0.00 -0.53 0.00 0.00 39.78 38.85 1qup n ASN 4 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1qup h ASP 5 N 0.00 0.00 -3.61 1.20 3.32 -1.77 -3.46 116.42 112.10 1qup h ASP 5 Ca 0.00 -0.10 -0.67 0.00 0.02 0.00 0.00 57.03 56.28 1qup h ASP 5 Cb 0.34 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.72 1qup h ASP 5 CO 0.00 0.05 -0.71 -0.89 -1.72 0.00 0.00 179.24 175.97 1qup s THR 6 N -3.18 3.58 0.25 0.35 2.01 -1.01 -4.27 115.64 113.37 1qup s THR 6 Ca 0.07 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.10 1qup s THR 6 Cb 0.11 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 1qup s THR 6 CO 0.69 0.35 0.45 -0.72 -0.69 0.00 0.00 174.62 174.69 1qup s TYR 7 N -1.03 0.48 -0.17 4.92 -0.85 0.66 -4.95 117.35 116.42 1qup s TYR 7 Ca 0.18 -0.83 -0.06 0.00 -0.52 0.00 0.00 57.07 55.84 1qup s TYR 7 Cb -0.11 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.30 1qup s TYR 7 CO 0.09 -0.97 0.03 -1.21 -1.52 0.00 0.00 175.55 171.96 1qup s GLU 8 N -3.96 3.81 -0.01 -3.49 2.02 -1.26 -1.44 118.70 114.37 1qup s GLU 8 Ca 0.25 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.85 1qup s GLU 8 Cb 0.00 -3.09 0.01 0.00 0.10 0.00 0.00 34.13 31.15 1qup s GLU 8 CO 0.10 0.31 -0.02 0.00 0.02 0.00 0.00 175.26 175.67 1qup s ALA 9 N 0.25 0.28 -0.11 5.21 0.00 -0.19 -4.01 121.76 123.18 1qup s ALA 9 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1qup s ALA 9 Cb -0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1qup s ALA 9 CO 0.01 0.01 -0.10 0.99 0.00 0.00 0.00 175.76 176.67 1qup s THR 10 N 0.35 3.33 -0.02 0.00 2.01 -1.26 -0.05 115.64 120.00 1qup s THR 10 Ca -0.03 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.44 1qup s THR 10 Cb -0.06 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 1qup s THR 10 CO -0.01 0.54 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.97 1qup s TYR 11 N -0.05 1.66 -0.19 4.92 1.51 -1.26 -1.72 117.35 122.22 1qup s TYR 11 Ca -0.01 -0.33 -0.19 0.00 -1.01 0.00 0.00 57.07 55.53 1qup s TYR 11 Cb -0.14 -1.07 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1qup s TYR 11 CO 0.03 -0.04 0.54 0.00 -1.11 0.00 0.00 175.55 174.97 1qup s ALA 12 N -0.39 3.53 -0.07 3.71 0.00 0.30 -4.34 121.76 124.50 1qup s ALA 12 Ca 0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 1qup s ALA 12 Cb -0.07 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.26 1qup s ALA 12 CO -0.00 -0.40 0.16 0.42 0.00 0.00 0.00 175.76 175.93 1qup s ILE 13 N 1.55 -0.08 0.94 0.00 1.01 -0.77 -1.71 121.20 122.14 1qup s ILE 13 Ca 0.25 0.20 -0.10 0.00 0.00 0.00 0.00 60.65 61.00 1qup s ILE 13 Cb -0.15 -0.26 0.16 0.00 0.01 0.00 0.00 42.46 42.21 1qup s ILE 13 CO 0.10 0.08 1.13 -0.81 0.00 0.00 0.00 174.94 175.44 1qup n PRO 14 N 4.34 -0.60 0.00 2.79 -0.04 -1.26 -4.45 135.00 135.78 1qup n PRO 14 Ca -0.24 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1qup n PRO 14 Cb 0.52 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1qup n PRO 14 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1qup n HIS 16 N -4.31 0.00 -2.19 0.54 8.25 -1.26 -4.98 115.22 111.27 1qup n HIS 16 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 1qup n HIS 16 Cb 0.52 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.64 1qup n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qup h GLU 18 N 1.03 -0.32 -0.00 0.00 4.11 -2.05 -0.90 114.58 116.43 1qup h GLU 18 Ca -0.49 0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1qup h GLU 18 Cb 1.26 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1qup h GLU 18 CO 0.57 -0.22 -0.02 0.09 0.07 0.00 0.00 179.01 179.49 1qup n ASN 19 N -5.41 0.31 -0.15 3.06 3.02 -1.26 -4.36 115.26 110.48 1qup n ASN 19 Ca -0.01 -0.83 -0.12 0.00 -0.03 0.00 0.00 54.58 53.59 1qup n ASN 19 Cb 0.35 -0.07 -0.08 0.00 -0.61 0.00 0.00 39.78 39.38 1qup n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qup h VAL 21 N -0.35 1.24 -0.66 0.00 2.07 -1.76 -2.71 116.25 114.07 1qup h VAL 21 Ca 0.10 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.83 1qup h VAL 21 Cb 0.59 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1qup h VAL 21 CO -0.61 0.30 0.37 0.78 0.02 0.00 0.00 177.57 178.44 1qup h ASN 22 N 0.65 0.56 -0.39 0.57 2.35 -1.66 -1.34 115.58 116.31 1qup h ASN 22 Ca 0.15 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1qup h ASN 22 Cb 0.34 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1qup h ASN 22 CO 0.00 0.37 0.03 0.44 -1.65 0.00 0.00 177.43 176.62 1qup h ASP 23 N 0.69 0.72 -0.49 5.81 3.32 -0.68 -1.31 116.42 124.47 1qup h ASP 23 Ca 0.29 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1qup h ASP 23 Cb 0.17 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1qup h ASP 23 CO -0.17 0.77 -0.12 0.40 -1.72 0.00 0.00 179.24 178.40 1qup h ILE 24 N 0.71 1.27 -0.59 0.35 2.04 -1.05 0.04 117.51 120.27 1qup h ILE 24 Ca 0.15 -1.26 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 1qup h ILE 24 Cb 0.39 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1qup h ILE 24 CO 0.01 0.44 0.08 0.11 0.00 0.00 0.00 178.15 178.80 1qup h LYS 25 N 0.87 0.99 -0.53 2.37 1.57 -0.90 -2.20 116.57 118.73 1qup h LYS 25 Ca 0.14 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1qup h LYS 25 Cb 0.67 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1qup h LYS 25 CO 0.05 0.95 -0.03 0.00 -0.57 0.00 0.00 179.45 179.85 1qup h ALA 26 N 1.01 0.95 -0.83 3.86 0.00 -1.04 0.38 119.26 123.59 1qup h ALA 26 Ca 0.18 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1qup h ALA 26 Cb 0.44 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1qup h ALA 26 CO 0.01 0.63 0.50 0.00 0.00 0.00 0.00 179.25 180.39 1qup n LEU 28 N -4.67 2.40 -0.33 0.00 4.77 -0.86 -4.62 117.00 113.69 1qup n LEU 28 Ca 0.12 -0.85 0.15 0.00 -0.03 0.00 0.00 56.01 55.40 1qup n LEU 28 Cb 0.20 -0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.66 1qup n LEU 28 CO 0.30 0.42 1.20 0.50 -1.33 0.00 0.00 177.39 178.48 1qup h LYS 29 N 3.30 0.64 -0.58 3.23 3.64 -0.77 -2.33 116.57 123.70 1qup h LYS 29 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1qup h LYS 29 Cb 0.85 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1qup h LYS 29 CO 0.00 0.42 0.00 0.09 -2.27 0.00 0.00 179.45 177.69 1qup n ASN 30 N -4.72 3.54 -4.63 4.20 3.02 -1.26 -4.90 115.26 110.50 1qup n ASN 30 Ca 0.23 -1.99 -0.43 0.00 -0.03 0.00 0.00 54.58 52.37 1qup n ASN 30 Cb 0.64 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 1qup n ASN 30 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qup s VAL 31 N -1.24 4.40 0.59 2.41 1.01 -0.88 -5.01 120.40 121.68 1qup s VAL 31 Ca 0.43 1.60 -0.18 0.00 0.00 0.00 0.00 61.98 63.83 1qup s VAL 31 Cb 0.23 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1qup s VAL 31 CO 0.31 -0.50 1.16 -2.16 0.00 0.00 0.00 175.10 173.91 1qup s PRO 32 N 3.81 3.08 0.00 2.72 0.04 -1.26 -3.84 135.00 139.56 1qup s PRO 32 Ca 0.48 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1qup s PRO 32 Cb -0.13 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1qup s PRO 32 CO 0.18 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.55 1qup n GLY 33 N 0.19 0.75 3.70 0.56 0.00 -1.26 -4.80 105.19 104.33 1qup n GLY 33 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1qup n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qup s ILE 34 N -2.56 5.22 -0.16 -0.61 1.01 -1.25 -1.65 121.20 121.21 1qup s ILE 34 Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 60.65 61.36 1qup s ILE 34 Cb 0.00 -3.73 -0.24 0.00 0.01 0.00 0.00 42.46 38.50 1qup s ILE 34 CO 0.00 0.31 0.20 0.59 0.00 0.00 0.00 174.94 176.04 1qup n ASN 35 N 4.00 2.06 -3.51 3.58 3.02 0.36 -4.99 115.26 119.78 1qup n ASN 35 Ca -0.09 0.11 -0.16 0.00 -0.03 0.00 0.00 54.58 54.41 1qup n ASN 35 Cb 0.51 -0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 38.92 1qup n ASN 35 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1qup s SER 36 N -6.87 -0.62 -0.11 6.41 1.04 -0.97 -4.99 113.70 107.59 1qup s SER 36 Ca -0.26 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1qup s SER 36 Cb 0.07 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1qup s SER 36 CO 0.72 -0.69 -0.10 -0.76 0.98 0.00 0.00 173.24 173.40 1qup s LEU 37 N -1.57 1.36 -0.06 2.42 1.43 -1.26 -1.61 118.68 119.38 1qup s LEU 37 Ca -0.08 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1qup s LEU 37 Cb -0.00 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.35 1qup s LEU 37 CO 0.04 -0.07 -0.15 0.20 0.23 0.00 0.00 176.35 176.60 1qup s ASN 38 N 1.42 2.08 0.07 2.29 0.01 -0.03 -4.98 114.94 115.80 1qup s ASN 38 Ca 0.00 -0.35 0.06 0.00 -0.71 0.00 0.00 52.86 51.86 1qup s ASN 38 Cb -0.13 -0.85 -0.04 0.00 0.41 0.00 0.00 41.25 40.64 1qup s ASN 38 CO -0.06 0.09 -0.09 -0.36 -1.51 0.00 0.00 177.10 175.17 1qup s PHE 39 N 0.43 2.77 -0.44 2.20 0.40 -1.26 -0.07 117.98 122.01 1qup s PHE 39 Ca -0.12 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.10 1qup s PHE 39 Cb -0.15 -1.49 0.13 0.00 0.51 0.00 0.00 43.02 42.03 1qup s PHE 39 CO 0.04 0.39 0.24 0.34 0.70 0.00 0.00 175.22 176.93 1qup s ASP 40 N -1.91 3.72 0.21 1.36 -1.08 -0.54 -5.00 116.67 113.43 1qup s ASP 40 Ca 0.20 -2.64 -0.10 0.00 -0.52 0.00 0.00 52.55 49.49 1qup s ASP 40 Cb -0.11 -1.09 0.28 0.00 -1.46 0.00 0.00 42.92 40.54 1qup s ASP 40 CO 0.11 -0.27 1.72 0.40 0.52 0.00 0.00 175.17 177.66 1qup h ILE 41 N 5.30 0.70 -0.00 4.11 5.03 -1.96 0.59 117.51 131.28 1qup h ILE 41 Ca -0.02 -0.11 0.03 0.00 -0.12 0.00 0.00 64.86 64.64 1qup h ILE 41 Cb 0.93 0.36 -0.05 0.00 -3.03 0.00 0.00 36.82 35.02 1qup h ILE 41 CO 0.50 0.06 -0.32 -0.33 -0.68 0.00 0.00 178.15 177.38 1qup h GLU 42 N 0.32 -0.45 0.00 2.37 5.08 -1.96 -1.84 114.58 118.09 1qup h GLU 42 Ca 0.31 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1qup h GLU 42 Cb 0.42 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1qup h GLU 42 CO -0.35 -0.30 -0.07 1.04 -1.00 0.00 0.00 179.01 178.33 1qup n GLN 43 N -5.41 0.07 -3.50 2.33 6.02 -1.05 -4.95 117.38 110.89 1qup n GLN 43 Ca -0.05 0.05 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1qup n GLN 43 Cb 0.33 -1.58 0.06 0.00 1.02 0.00 0.00 30.24 30.07 1qup n GLN 43 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1qup n GLN 44 N -1.70 -4.52 -0.35 -1.09 6.02 0.20 -4.92 117.38 111.02 1qup n GLN 44 Ca 0.06 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 1qup n GLN 44 Cb 0.36 -5.48 0.00 0.00 1.02 0.00 0.00 30.24 26.15 1qup n GLN 44 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1qup n ILE 45 N -3.96 0.00 -3.65 5.09 -5.35 -1.03 -1.85 119.36 108.60 1qup n ILE 45 Ca -0.22 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.17 1qup n ILE 45 Cb 0.65 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.48 1qup n ILE 45 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1qup s SER 47 N 0.65 -0.84 -0.12 7.28 0.01 0.90 -1.47 113.70 120.12 1qup s SER 47 Ca 0.00 1.38 0.01 0.00 1.31 0.00 0.00 55.95 58.65 1qup s SER 47 Cb 0.00 1.27 0.02 0.00 0.21 0.00 0.00 66.02 67.51 1qup s SER 47 CO 0.00 -0.23 -0.15 -0.69 0.41 0.00 0.00 173.24 172.58 1qup s VAL 48 N 1.44 1.51 -0.25 3.43 1.01 0.93 -0.85 120.40 127.62 1qup s VAL 48 Ca -0.09 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1qup s VAL 48 Cb -0.06 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1qup s VAL 48 CO -0.16 0.44 0.06 -0.70 0.00 0.00 0.00 175.10 174.75 1qup s GLU 49 N 1.08 3.64 0.17 2.72 2.12 -0.63 -1.03 118.70 126.77 1qup s GLU 49 Ca -0.05 -0.48 -0.11 0.00 0.36 0.00 0.00 54.97 54.69 1qup s GLU 49 Cb -0.15 -3.30 0.04 0.00 0.26 0.00 0.00 34.13 30.98 1qup s GLU 49 CO -0.03 -0.18 0.56 -1.13 -0.54 0.00 0.00 175.26 173.93 1qup n SER 50 N 4.89 -1.20 -0.41 -1.70 3.41 -0.52 -0.48 113.62 117.60 1qup n SER 50 Ca -0.16 -1.73 0.08 0.00 -0.26 0.00 0.00 58.87 56.80 1qup n SER 50 Cb 0.51 1.97 0.18 0.00 -0.26 0.00 0.00 64.21 66.62 1qup n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1qup n SER 51 N -1.15 2.61 -4.71 4.04 3.41 -0.66 -0.24 113.62 116.92 1qup n SER 51 Ca -0.03 -3.24 -0.36 0.00 -0.26 0.00 0.00 58.87 54.97 1qup n SER 51 Cb 0.35 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 1qup n SER 51 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qup s VAL 52 N -2.95 5.32 0.26 -3.33 1.01 -1.26 -4.99 120.40 114.47 1qup s VAL 52 Ca 0.36 0.46 -0.31 0.00 0.00 0.00 0.00 61.98 62.49 1qup s VAL 52 Cb 0.32 -3.60 -0.12 0.00 0.00 0.00 0.00 36.38 32.98 1qup s VAL 52 CO 0.03 0.37 1.65 0.00 0.00 0.00 0.00 175.10 177.15 1qup n ALA 53 N 3.78 2.68 -0.18 5.51 0.00 -1.26 -4.83 120.51 126.21 1qup n ALA 53 Ca -0.12 0.38 0.23 0.00 0.00 0.00 0.00 53.44 53.93 1qup n ALA 53 Cb 0.52 -2.49 0.62 0.00 0.00 0.00 0.00 19.45 18.10 1qup n ALA 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qup h PRO 54 N 5.50 0.19 -0.24 0.00 0.11 -1.99 0.38 132.00 135.95 1qup h PRO 54 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1qup h PRO 54 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1qup h PRO 54 CO 0.85 0.12 -0.01 0.66 -0.21 0.00 0.00 178.00 179.42 1qup h SER 55 N 0.19 0.32 -0.14 -2.05 4.64 -1.97 0.17 113.55 114.71 1qup h SER 55 Ca 0.42 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.61 1qup h SER 55 Cb 1.36 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1qup h SER 55 CO -0.09 0.39 -0.23 0.74 -0.87 0.00 0.00 176.83 176.77 1qup h THR 56 N 0.34 1.36 -0.20 2.95 2.02 -0.59 0.44 112.91 119.23 1qup h THR 56 Ca 0.08 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 1qup h THR 56 Cb 0.25 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1qup h THR 56 CO 0.01 0.43 0.09 0.40 0.37 0.00 0.00 175.52 176.82 1qup h ILE 57 N 0.01 1.15 -0.67 3.11 1.08 -1.07 0.71 117.51 121.84 1qup h ILE 57 Ca 0.01 -0.45 -0.07 0.00 -0.39 0.00 0.00 64.86 63.97 1qup h ILE 57 Cb 0.80 1.07 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 1qup h ILE 57 CO 0.05 0.15 0.17 0.40 -0.69 0.00 0.00 178.15 178.22 1qup h ILE 58 N 0.18 1.26 -0.49 -0.67 2.04 -0.67 -0.98 117.51 118.18 1qup h ILE 58 Ca 0.07 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 1qup h ILE 58 Cb 0.15 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1qup h ILE 58 CO -0.01 0.36 0.17 -1.13 0.00 0.00 0.00 178.15 177.55 1qup h ASN 59 N 1.00 0.70 -0.29 1.72 -0.73 0.10 -0.42 115.58 117.66 1qup h ASN 59 Ca 0.21 -0.19 -0.05 0.00 1.87 0.00 0.00 56.30 58.14 1qup h ASN 59 Cb 0.36 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 1qup h ASN 59 CO 0.00 0.70 -0.01 0.74 -0.37 0.00 0.00 177.43 178.49 1qup h THR 60 N 0.65 1.26 -0.98 -3.57 2.02 -0.70 -1.26 112.91 110.34 1qup h THR 60 Ca 0.16 -0.97 0.02 0.00 0.77 0.00 0.00 66.41 66.39 1qup h THR 60 Cb 0.24 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 1qup h THR 60 CO -0.01 0.31 0.65 -0.07 0.37 0.00 0.00 175.52 176.77 1qup h LEU 61 N 0.31 1.10 -0.85 2.58 3.38 -1.04 -0.81 115.31 119.97 1qup h LEU 61 Ca 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1qup h LEU 61 Cb 0.46 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1qup h LEU 61 CO 0.02 0.78 0.38 -0.09 0.09 0.00 0.00 178.44 179.61 1qup h ARG 62 N 1.29 1.21 0.00 1.13 2.43 -0.80 -0.09 114.38 119.55 1qup h ARG 62 Ca 0.37 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1qup h ARG 62 Cb -0.09 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.25 1qup h ARG 62 CO -0.10 0.94 -0.00 -0.91 -1.51 0.00 0.00 179.97 178.39 1qup h ASN 63 N 1.19 0.00 -0.67 -3.80 2.35 0.05 0.12 115.58 114.81 1qup h ASN 63 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1qup h ASN 63 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1qup h ASN 63 CO -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.75 1qup n GLY 65 N 1.39 1.07 3.50 0.00 0.00 0.03 -5.01 105.19 106.17 1qup n GLY 65 Ca 0.24 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1qup n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qup s LYS 66 N -2.87 3.59 -0.52 1.61 -0.14 -0.21 -5.00 119.74 116.20 1qup s LYS 66 Ca 0.00 -0.53 -0.18 0.00 -1.36 0.00 0.00 55.97 53.90 1qup s LYS 66 Cb 0.00 -2.87 0.07 0.00 -1.68 0.00 0.00 37.83 33.35 1qup s LYS 66 CO 0.00 0.28 0.59 0.34 -0.76 0.00 0.00 175.35 175.80 1qup s ASP 67 N 0.26 6.20 -0.18 2.83 -1.08 -1.26 -3.13 116.67 120.31 1qup s ASP 67 Ca -0.03 -1.13 -0.11 0.00 -0.52 0.00 0.00 52.55 50.76 1qup s ASP 67 Cb -0.14 -2.27 -0.05 0.00 -1.46 0.00 0.00 42.92 39.00 1qup s ASP 67 CO 0.03 -0.88 0.19 0.00 0.52 0.00 0.00 175.17 175.02 1qup s ALA 68 N 2.40 3.68 -0.11 3.66 0.00 -1.26 -4.58 121.76 125.54 1qup s ALA 68 Ca 0.12 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.51 1qup s ALA 68 Cb -0.22 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1qup s ALA 68 CO 0.09 0.19 -0.23 0.42 0.00 0.00 0.00 175.76 176.23 1qup s ILE 69 N 0.23 2.04 0.53 0.00 1.01 -0.69 -4.94 121.20 119.37 1qup s ILE 69 Ca 0.12 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 1qup s ILE 69 Cb -0.12 -1.78 -0.07 0.00 0.01 0.00 0.00 42.46 40.50 1qup s ILE 69 CO 0.01 0.55 0.96 2.30 0.00 0.00 0.00 174.94 178.76 1qup n ILE 70 N 3.71 3.07 -3.81 2.92 -5.35 -1.26 -0.54 119.36 118.10 1qup n ILE 70 Ca -0.19 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 61.66 1qup n ILE 70 Cb 0.52 -1.14 -0.10 0.00 -1.74 0.00 0.00 39.64 37.18 1qup n ILE 70 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1qup s ARG 71 N -2.41 0.50 0.55 6.28 3.52 -0.70 -4.72 118.95 121.97 1qup s ARG 71 Ca 0.70 -0.12 -0.20 0.00 -0.13 0.00 0.00 55.73 55.98 1qup s ARG 71 Cb -0.47 0.22 -0.06 0.00 -1.56 0.00 0.00 34.95 33.08 1qup s ARG 71 CO 0.52 -0.12 1.15 0.20 -0.81 0.00 0.00 175.30 176.24 1qup s GLY 72 N -0.95 2.67 -0.13 8.12 0.00 -0.73 -4.34 107.32 111.96 1qup s GLY 72 Ca -0.10 0.87 0.16 0.00 0.00 0.00 0.00 44.72 45.65 1qup s GLY 72 CO 0.02 1.24 1.55 0.00 0.00 0.00 0.00 173.10 175.92 1qup n ALA 73 N -1.30 3.06 -0.84 3.20 0.00 -1.26 -4.85 120.51 118.52 1qup n ALA 73 Ca 0.12 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.81 1qup n ALA 73 Cb 0.50 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1qup n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qup n GLY 74 N 0.60 0.87 3.78 0.00 0.00 -1.26 -5.01 105.19 104.18 1qup n GLY 74 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1qup n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qup s LYS 75 N -0.21 3.96 0.26 1.61 -2.85 -1.26 -4.96 119.74 116.30 1qup s LYS 75 Ca 0.00 1.51 -0.30 0.00 -1.00 0.00 0.00 55.97 56.17 1qup s LYS 75 Cb 0.00 -2.36 -0.13 0.00 -2.06 0.00 0.00 37.83 33.27 1qup s LYS 75 CO 0.00 -0.32 1.33 -0.35 0.10 0.00 0.00 175.35 176.11 1qup n PRO 76 N -0.46 1.91 -4.15 1.78 -0.04 -1.26 -3.12 135.00 129.66 1qup n PRO 76 Ca 0.07 0.68 -0.32 0.00 -0.04 0.00 0.00 63.50 63.89 1qup n PRO 76 Cb 0.50 -2.28 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 1qup n PRO 76 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1qup n ASN 77 N 1.80 -1.63 -0.03 3.54 4.05 -1.26 -4.87 115.26 116.86 1qup n ASN 77 Ca 0.10 -1.05 -0.00 0.00 0.45 0.00 0.00 54.58 54.08 1qup n ASN 77 Cb 0.32 -2.67 -0.10 0.00 1.23 0.00 0.00 39.78 38.56 1qup n ASN 77 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1qup n SER 78 N -2.79 2.04 -4.59 1.20 3.41 -1.18 -4.36 113.62 107.34 1qup n SER 78 Ca -0.11 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.22 1qup n SER 78 Cb 0.59 1.17 -0.09 0.00 -0.26 0.00 0.00 64.21 65.61 1qup n SER 78 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1qup s SER 79 N -4.01 4.44 0.20 4.04 0.01 -1.26 -1.15 113.70 115.96 1qup s SER 79 Ca -0.05 -0.45 -0.12 0.00 1.31 0.00 0.00 55.95 56.64 1qup s SER 79 Cb 0.06 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.45 1qup s SER 79 CO 0.51 0.14 0.41 0.00 0.41 0.00 0.00 173.24 174.71 1qup s ALA 80 N -1.47 -0.29 -0.00 1.44 0.00 0.15 -1.54 121.76 120.04 1qup s ALA 80 Ca 0.24 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 1qup s ALA 80 Cb -0.10 0.94 0.02 0.00 0.00 0.00 0.00 23.12 23.98 1qup s ALA 80 CO 0.15 -0.76 0.26 0.54 0.00 0.00 0.00 175.76 175.96 1qup s VAL 81 N -3.97 0.07 -0.09 0.00 0.11 0.33 -0.80 120.40 116.05 1qup s VAL 81 Ca 0.17 -0.57 -0.03 0.00 -2.93 0.00 0.00 61.98 58.63 1qup s VAL 81 Cb 0.01 -0.61 0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1qup s VAL 81 CO 0.03 -0.31 0.06 0.00 -3.33 0.00 0.00 175.10 171.55 1qup s ALA 82 N -1.50 0.35 -0.29 1.54 0.00 -0.22 -0.33 121.76 121.31 1qup s ALA 82 Ca -0.13 -0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.60 1qup s ALA 82 Cb -0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1qup s ALA 82 CO 0.03 -0.72 0.70 0.42 0.00 0.00 0.00 175.76 176.18 1qup s ILE 83 N 2.14 4.89 -0.27 0.00 1.01 -1.26 -1.00 121.20 126.71 1qup s ILE 83 Ca 0.04 1.09 -0.14 0.00 0.00 0.00 0.00 60.65 61.65 1qup s ILE 83 Cb -0.13 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1qup s ILE 83 CO -0.05 -0.13 0.31 -0.76 0.00 0.00 0.00 174.94 174.31 1qup s LEU 84 N 2.72 4.04 0.16 2.97 1.43 -0.41 -3.76 118.68 125.82 1qup s LEU 84 Ca 0.29 0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 1qup s LEU 84 Cb -0.15 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1qup s LEU 84 CO 0.11 -0.13 -0.13 -1.61 0.23 0.00 0.00 176.35 174.82 1qup s GLU 85 N 1.90 1.14 0.51 1.70 2.02 -0.48 -0.36 118.70 125.14 1qup s GLU 85 Ca 0.12 -1.43 -0.17 0.00 0.02 0.00 0.00 54.97 53.52 1qup s GLU 85 Cb -0.16 -0.89 -0.08 0.00 0.10 0.00 0.00 34.13 33.10 1qup s GLU 85 CO 0.10 0.15 0.98 0.95 0.02 0.00 0.00 175.26 177.45 1qup s THR 86 N -2.81 4.53 -0.13 3.63 -4.23 -0.39 -0.67 115.64 115.58 1qup s THR 86 Ca 0.16 1.21 0.17 0.00 -1.18 0.00 0.00 61.69 62.05 1qup s THR 86 Cb -0.01 -3.72 0.29 0.00 1.34 0.00 0.00 72.50 70.40 1qup s THR 86 CO 0.04 -0.67 1.15 0.49 -0.54 0.00 0.00 174.62 175.09 1qup n PHE 87 N -1.53 0.00 -3.74 3.99 3.01 -1.26 -4.92 117.46 113.01 1qup n PHE 87 Ca 0.06 -0.99 -0.07 0.00 1.01 0.00 0.00 57.45 57.47 1qup n PHE 87 Cb 0.54 -0.16 -0.02 0.00 -0.01 0.00 0.00 39.48 39.84 1qup n PHE 87 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1qup s GLN 88 N -2.69 1.47 0.25 -1.08 -2.07 -1.26 -4.82 119.66 109.46 1qup s GLN 88 Ca 0.31 -0.77 -0.17 0.00 -1.82 0.00 0.00 55.36 52.91 1qup s GLN 88 Cb 0.27 0.53 -0.08 0.00 -1.09 0.00 0.00 33.01 32.64 1qup s GLN 88 CO 0.01 -0.67 0.71 0.15 -1.32 0.00 0.00 175.29 174.17 1qup s LYS 89 N -3.65 4.13 -0.02 9.60 1.02 -1.26 -5.08 119.74 124.49 1qup s LYS 89 Ca 0.10 0.75 0.03 0.00 0.02 0.00 0.00 55.97 56.87 1qup s LYS 89 Cb -0.04 -2.73 -0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1qup s LYS 89 CO 0.02 0.32 -0.10 0.71 -0.92 0.00 0.00 175.35 175.38 1qup s TYR 90 N -1.67 0.97 0.34 3.18 1.51 -1.26 -4.91 117.35 115.50 1qup s TYR 90 Ca 0.46 -0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 1qup s TYR 90 Cb -0.14 -0.65 0.64 0.00 -0.11 0.00 0.00 41.96 41.69 1qup s TYR 90 CO 0.20 -0.05 1.96 1.15 -1.11 0.00 0.00 175.55 177.70 1qup h THR 91 N 5.07 1.08 0.00 -0.71 2.02 -1.98 -2.42 112.91 115.97 1qup h THR 91 Ca -0.32 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.42 1qup h THR 91 Cb 1.17 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1qup h THR 91 CO 0.49 0.16 -0.63 0.16 0.37 0.00 0.00 175.52 176.07 1qup h ILE 92 N 0.88 1.14 -3.06 3.11 3.07 -1.95 -3.42 117.51 117.28 1qup h ILE 92 Ca 0.31 -2.46 -0.68 0.00 1.55 0.00 0.00 64.86 63.58 1qup h ILE 92 Cb 0.13 2.46 -0.18 0.00 -0.27 0.00 0.00 36.82 38.96 1qup h ILE 92 CO -0.10 0.62 0.17 -0.62 -1.05 0.00 0.00 178.15 177.18 1qup s ASP 93 N -6.55 6.21 0.00 2.16 -1.08 -0.91 -4.78 116.67 111.73 1qup s ASP 93 Ca 0.02 -1.04 0.21 0.00 -0.52 0.00 0.00 52.55 51.23 1qup s ASP 93 Cb 0.09 -2.32 0.40 0.00 -1.46 0.00 0.00 42.92 39.62 1qup s ASP 93 CO 0.76 -1.06 1.35 0.00 0.52 0.00 0.00 175.17 176.74 1qup n GLN 94 N 6.52 2.41 -2.46 4.34 6.02 -1.26 -4.46 117.38 128.50 1qup n GLN 94 Ca -0.06 -2.21 -0.42 0.00 -0.01 0.00 0.00 57.00 54.29 1qup n GLN 94 Cb 0.45 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.20 1qup n GLN 94 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1qup s LYS 95 N -1.40 3.43 -0.00 -1.09 2.20 -1.26 -4.85 119.74 116.76 1qup s LYS 95 Ca 0.36 0.47 0.22 0.00 -0.36 0.00 0.00 55.97 56.65 1qup s LYS 95 Cb 0.21 -4.06 -0.25 0.00 -1.51 0.00 0.00 37.83 32.21 1qup s LYS 95 CO 0.29 -1.78 0.68 1.63 -0.36 0.00 0.00 175.35 175.81 1qup n LYS 96 N 8.47 0.44 -0.11 4.03 5.02 -1.26 -4.41 118.16 130.33 1qup n LYS 96 Ca 0.12 -0.11 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1qup n LYS 96 Cb 0.49 -1.54 0.36 0.00 -0.02 0.00 0.00 35.03 34.32 1qup n LYS 96 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1qup h ASP 97 N 0.00 0.63 -5.04 4.39 2.03 -2.03 -3.44 116.42 112.96 1qup h ASP 97 Ca 0.00 -0.01 -0.06 0.00 -0.73 0.00 0.00 57.03 56.23 1qup h ASP 97 Cb 0.83 -0.15 -0.15 0.00 -0.83 0.00 0.00 39.33 39.03 1qup h ASP 97 CO 0.00 0.45 -0.01 0.28 -1.03 0.00 0.00 179.24 178.92 1qup s THR 98 N -5.64 0.04 -1.80 1.15 -1.32 -1.26 -5.03 115.64 101.78 1qup s THR 98 Ca -0.09 -0.36 0.24 0.00 -1.21 0.00 0.00 61.69 60.26 1qup s THR 98 Cb 0.18 -1.02 0.04 0.00 -1.51 0.00 0.00 72.50 70.20 1qup s THR 98 CO 0.76 -0.20 1.22 0.00 -2.21 0.00 0.00 174.62 174.18 1qup n ALA 99 N 0.22 3.57 -2.03 11.08 0.00 -1.26 -4.91 120.51 127.17 1qup n ALA 99 Ca -0.18 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 1qup n ALA 99 Cb 0.61 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1qup n ALA 99 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qup s VAL 100 N -2.57 3.08 0.00 0.00 1.01 -1.26 -1.26 120.40 119.40 1qup s VAL 100 Ca 0.19 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1qup s VAL 100 Cb 0.18 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1qup s VAL 100 CO 0.60 0.10 0.05 0.54 0.00 0.00 0.00 175.10 176.39 1qup n ARG 101 N 3.20 1.81 -3.81 2.72 5.12 0.51 -4.95 116.66 121.26 1qup n ARG 101 Ca 0.09 -0.05 -0.04 0.00 -1.93 0.00 0.00 57.85 55.92 1qup n ARG 101 Cb 0.42 -0.33 0.00 0.00 -1.16 0.00 0.00 32.46 31.39 1qup n ARG 101 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1qup s GLY 102 N -0.27 -0.04 -0.10 -0.13 0.00 -0.95 -0.52 107.32 105.30 1qup s GLY 102 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.50 1qup s GLY 102 CO 0.00 0.84 0.26 -2.27 0.00 0.00 0.00 173.10 171.93 1qup s LEU 103 N -3.12 0.79 -0.18 0.66 2.96 -0.21 -1.29 118.68 118.29 1qup s LEU 103 Ca 0.16 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 1qup s LEU 103 Cb -0.02 0.86 0.02 0.00 0.50 0.00 0.00 46.19 47.55 1qup s LEU 103 CO 0.04 -0.12 -0.19 0.00 -1.32 0.00 0.00 176.35 174.77 1qup s ALA 104 N 0.51 2.37 -0.17 5.97 0.00 -0.17 -1.23 121.76 129.05 1qup s ALA 104 Ca -0.03 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 1qup s ALA 104 Cb -0.05 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1qup s ALA 104 CO -0.03 -0.37 0.04 1.03 0.00 0.00 0.00 175.76 176.43 1qup s ARG 105 N 1.30 3.85 -0.05 0.00 0.52 0.00 -1.06 118.95 123.52 1qup s ARG 105 Ca 0.05 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 1qup s ARG 105 Cb -0.13 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.21 1qup s ARG 105 CO -0.12 0.30 -0.15 0.42 0.02 0.00 0.00 175.30 175.77 1qup s ILE 106 N 0.27 1.28 -0.02 1.52 1.01 0.02 -0.23 121.20 125.04 1qup s ILE 106 Ca 0.02 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1qup s ILE 106 Cb -0.13 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.24 1qup s ILE 106 CO 0.01 0.38 -0.01 -0.69 0.00 0.00 0.00 174.94 174.63 1qup s VAL 107 N 0.30 0.15 -0.10 2.92 1.01 -0.79 -0.67 120.40 123.21 1qup s VAL 107 Ca -0.08 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 1qup s VAL 107 Cb -0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1qup s VAL 107 CO 0.03 0.10 0.45 -1.58 0.00 0.00 0.00 175.10 174.10 1qup s GLN 108 N 0.54 4.28 -0.11 2.72 0.74 -0.30 -0.74 119.66 126.79 1qup s GLN 108 Ca -0.05 0.41 0.03 0.00 0.05 0.00 0.00 55.36 55.80 1qup s GLN 108 Cb -0.08 -3.40 0.01 0.00 1.10 0.00 0.00 33.01 30.63 1qup s GLN 108 CO -0.01 0.24 -0.21 0.14 -0.55 0.00 0.00 175.29 174.91 1qup s VAL 109 N 0.36 1.87 0.01 1.34 -7.23 0.56 -4.95 120.40 112.36 1qup s VAL 109 Ca 0.25 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1qup s VAL 109 Cb -0.15 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1qup s VAL 109 CO 0.10 0.52 0.00 0.61 -0.31 0.00 0.00 175.10 176.02 1qup n GLY 110 N 3.84 -2.00 0.09 2.32 0.00 -1.26 -3.32 105.19 104.86 1qup n GLY 110 Ca -0.20 -1.39 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 1qup n GLY 110 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qup h GLU 111 N 0.00 0.00 -0.79 1.61 4.81 -1.94 -3.39 114.58 114.88 1qup h GLU 111 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1qup h GLU 111 Cb 0.05 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 29.10 1qup h GLU 111 CO 0.00 0.81 -0.99 -1.71 -0.73 0.00 0.00 179.01 176.39 1qup n ASN 112 N -3.29 0.58 -3.74 1.04 5.15 -1.26 -4.61 115.26 109.12 1qup n ASN 112 Ca 0.00 -2.67 -0.13 0.00 -0.60 0.00 0.00 54.58 51.18 1qup n ASN 112 Cb 0.87 -0.14 -0.13 0.00 -0.53 0.00 0.00 39.78 39.86 1qup n ASN 112 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1qup s LYS 113 N -2.27 0.18 -0.00 1.20 2.47 -1.21 -3.26 119.74 116.86 1qup s LYS 113 Ca 0.26 0.47 0.04 0.00 -1.56 0.00 0.00 55.97 55.18 1qup s LYS 113 Cb 0.44 -0.12 -0.01 0.00 -1.46 0.00 0.00 37.83 36.68 1qup s LYS 113 CO 0.00 -0.15 -0.11 0.95 0.16 0.00 0.00 175.35 176.20 1qup s THR 114 N 1.14 0.90 -0.08 3.43 -4.23 -0.50 -0.32 115.64 115.98 1qup s THR 114 Ca -0.08 -0.54 -0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1qup s THR 114 Cb -0.10 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 1qup s THR 114 CO -0.07 0.21 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.41 1qup s LEU 115 N -0.38 3.29 -0.19 4.79 1.43 0.08 -1.31 118.68 126.38 1qup s LEU 115 Ca 0.04 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1qup s LEU 115 Cb -0.05 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.47 1qup s LEU 115 CO -0.00 0.35 -0.16 -0.36 0.23 0.00 0.00 176.35 176.42 1qup s PHE 116 N -0.75 2.71 -0.49 0.29 0.40 0.73 -1.89 117.98 118.98 1qup s PHE 116 Ca 0.11 -1.70 -0.16 0.00 -0.60 0.00 0.00 56.93 54.58 1qup s PHE 116 Cb -0.11 -1.82 0.08 0.00 0.51 0.00 0.00 43.02 41.68 1qup s PHE 116 CO 0.02 -0.79 0.47 0.34 0.70 0.00 0.00 175.22 175.96 1qup s ASP 117 N 1.31 6.17 -0.15 1.36 -1.08 0.68 -1.02 116.67 123.93 1qup s ASP 117 Ca 0.01 -1.29 -0.04 0.00 -0.52 0.00 0.00 52.55 50.71 1qup s ASP 117 Cb -0.15 -2.22 -0.03 0.00 -1.46 0.00 0.00 42.92 39.06 1qup s ASP 117 CO -0.10 -0.74 -0.01 -0.63 0.52 0.00 0.00 175.17 174.20 1qup s ILE 118 N 1.90 4.15 -0.04 4.11 1.01 -0.69 -0.82 121.20 130.82 1qup s ILE 118 Ca 0.07 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.49 1qup s ILE 118 Cb -0.24 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.41 1qup s ILE 118 CO 0.07 0.50 -0.17 -0.89 0.00 0.00 0.00 174.94 174.45 1qup s THR 119 N 0.18 1.42 -0.06 2.92 2.01 -0.36 -1.69 115.64 120.07 1qup s THR 119 Ca -0.00 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.33 1qup s THR 119 Cb -0.13 -1.22 -0.00 0.00 0.01 0.00 0.00 72.50 71.15 1qup s THR 119 CO 0.02 0.41 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.47 1qup s VAL 120 N 0.05 1.73 -0.22 3.82 1.01 0.64 -1.05 120.40 126.38 1qup s VAL 120 Ca -0.04 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 1qup s VAL 120 Cb -0.11 -1.49 0.09 0.00 0.00 0.00 0.00 36.38 34.87 1qup s VAL 120 CO 0.02 0.49 0.49 0.21 0.00 0.00 0.00 175.10 176.31 1qup s ASN 121 N 0.14 -0.55 0.00 3.32 3.04 0.32 -0.79 114.94 120.41 1qup s ASN 121 Ca -0.09 1.14 0.00 0.00 0.04 0.00 0.00 52.86 53.95 1qup s ASN 121 Cb -0.14 1.40 0.00 0.00 -1.54 0.00 0.00 41.25 40.97 1qup s ASN 121 CO 0.05 -0.22 0.00 0.61 -3.04 0.00 0.00 177.10 174.49 1qup n GLY 122 N 5.03 0.98 3.79 1.21 0.00 -0.38 -4.54 105.19 111.28 1qup n GLY 122 Ca -0.14 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1qup n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qup s VAL 123 N -2.00 4.55 0.06 1.61 -7.23 -0.96 -4.76 120.40 111.68 1qup s VAL 123 Ca 0.00 1.50 0.28 0.00 -1.81 0.00 0.00 61.98 61.94 1qup s VAL 123 Cb 0.00 -4.04 0.31 0.00 0.56 0.00 0.00 36.38 33.21 1qup s VAL 123 CO 0.00 0.52 1.87 1.55 -0.31 0.00 0.00 175.10 178.73 1qup h PRO 124 N 4.55 0.00 -5.03 4.82 0.13 -1.88 0.26 132.00 134.84 1qup h PRO 124 Ca -0.48 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.99 1qup h PRO 124 Cb 1.21 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.02 1qup h PRO 124 CO 0.65 0.12 -0.81 -1.21 -0.23 0.00 0.00 178.00 176.52 1qup s GLU 125 N -3.60 3.11 0.67 0.86 2.02 -1.26 -4.85 118.70 115.64 1qup s GLU 125 Ca 0.01 -0.77 -0.16 0.00 0.02 0.00 0.00 54.97 54.08 1qup s GLU 125 Cb 0.09 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.58 1qup s GLU 125 CO 0.60 -0.22 1.15 0.00 0.02 0.00 0.00 175.26 176.82 1qup s ALA 126 N 1.36 2.38 0.00 5.21 0.00 -1.26 -4.94 121.76 124.51 1qup s ALA 126 Ca 0.05 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1qup s ALA 126 Cb -0.14 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1qup s ALA 126 CO -0.09 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 174.67 1qup n GLY 127 N -0.08 -0.31 3.63 0.00 0.00 -0.60 -5.04 105.19 102.80 1qup n GLY 127 Ca 0.12 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 1qup n GLY 127 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qup s ASN 128 N -2.47 6.49 0.21 1.61 -0.87 -1.26 -1.06 114.94 117.59 1qup s ASN 128 Ca 0.00 0.60 0.05 0.00 -1.57 0.00 0.00 52.86 51.94 1qup s ASN 128 Cb 0.00 -2.29 -0.03 0.00 -0.02 0.00 0.00 41.25 38.90 1qup s ASN 128 CO 0.00 -0.27 0.25 -0.31 -2.57 0.00 0.00 177.10 174.20 1qup s TYR 129 N 2.15 3.29 -0.04 2.20 1.51 0.43 -4.79 117.35 122.10 1qup s TYR 129 Ca 0.23 -0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.31 1qup s TYR 129 Cb -0.16 -1.52 -0.00 0.00 -0.11 0.00 0.00 41.96 40.17 1qup s TYR 129 CO 0.09 0.50 -0.17 -1.01 -1.11 0.00 0.00 175.55 173.85 1qup s HIS 130 N -1.93 1.67 0.05 2.71 3.76 -0.04 0.16 115.29 121.66 1qup s HIS 130 Ca 0.33 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.80 1qup s HIS 130 Cb -0.09 -1.13 -0.04 0.00 1.11 0.00 0.00 32.58 32.43 1qup s HIS 130 CO 0.26 -0.16 0.00 0.00 -0.85 0.00 0.00 174.74 174.00 1qup s ALA 131 N 0.04 3.29 0.22 -1.40 0.00 -1.26 -0.95 121.76 121.69 1qup s ALA 131 Ca -0.04 -1.04 -0.19 0.00 0.00 0.00 0.00 51.96 50.70 1qup s ALA 131 Cb -0.11 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.78 1qup s ALA 131 CO 0.02 0.68 0.58 -1.54 0.00 0.00 0.00 175.76 175.50 1qup s SER 132 N -1.98 -0.28 -0.12 0.00 1.04 -0.22 -1.96 113.70 110.18 1qup s SER 132 Ca 0.23 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1qup s SER 132 Cb -0.12 0.62 -0.00 0.00 0.10 0.00 0.00 66.02 66.62 1qup s SER 132 CO 0.15 -1.13 -0.19 -0.63 0.98 0.00 0.00 173.24 172.42 1qup s ILE 133 N -3.89 2.46 0.22 -1.02 1.01 0.62 -0.81 121.20 119.79 1qup s ILE 133 Ca 0.10 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1qup s ILE 133 Cb -0.02 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1qup s ILE 133 CO -0.00 0.54 0.40 -1.00 0.00 0.00 0.00 174.94 174.88 1qup s HIS 134 N 0.49 3.48 0.17 3.97 3.76 -0.26 0.24 115.29 127.15 1qup s HIS 134 Ca -0.13 0.27 -0.17 0.00 -0.15 0.00 0.00 55.06 54.89 1qup s HIS 134 Cb -0.17 -1.80 0.12 0.00 1.11 0.00 0.00 32.58 31.84 1qup s HIS 134 CO 0.05 0.36 1.66 1.49 -0.85 0.00 0.00 174.74 177.45 1qup h GLU 135 N 1.72 -0.01 -6.18 1.40 4.81 -0.93 -3.12 114.58 112.27 1qup h GLU 135 Ca -0.49 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.24 1qup h GLU 135 Cb 1.20 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 1qup h GLU 135 CO 0.66 -0.00 -0.47 0.15 -0.73 0.00 0.00 179.01 178.62 1qup s LYS 136 N -6.22 2.69 -0.03 1.92 -0.14 -0.24 -4.67 119.74 113.05 1qup s LYS 136 Ca -0.14 -1.31 0.12 0.00 -1.36 0.00 0.00 55.97 53.27 1qup s LYS 136 Cb 0.15 -2.44 0.35 0.00 -1.68 0.00 0.00 37.83 34.21 1qup s LYS 136 CO 0.71 0.12 1.29 0.41 -0.76 0.00 0.00 175.35 177.12 1qup n GLY 137 N -1.33 2.98 3.60 -3.33 0.00 -1.01 -2.80 105.19 103.30 1qup n GLY 137 Ca -0.02 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1qup n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qup s ASP 138 N -1.15 6.14 -0.24 1.61 -1.08 -1.26 -4.74 116.67 115.94 1qup s ASP 138 Ca 0.27 1.17 0.14 0.00 -0.52 0.00 0.00 52.55 53.60 1qup s ASP 138 Cb 0.16 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 39.73 1qup s ASP 138 CO 0.15 -1.53 1.60 1.33 0.52 0.00 0.00 175.17 177.23 1qup n VAL 139 N 7.14 2.59 0.14 1.11 0.24 -1.26 -3.01 118.33 125.28 1qup n VAL 139 Ca 0.20 -1.82 0.12 0.00 -2.04 0.00 0.00 64.34 60.80 1qup n VAL 139 Cb 0.47 -0.30 0.64 0.00 -1.47 0.00 0.00 33.84 33.18 1qup n VAL 139 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1qup h SER 140 N 2.38 0.05 0.00 -1.34 4.64 -1.92 -2.00 113.55 115.36 1qup h SER 140 Ca 0.10 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1qup h SER 140 Cb 1.82 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.85 1qup h SER 140 CO 0.44 0.03 -0.48 0.29 -0.87 0.00 0.00 176.83 176.24 1qup n LYS 141 N -4.48 1.31 0.00 4.77 5.02 -1.26 -5.04 118.16 118.48 1qup n LYS 141 Ca 0.02 -2.97 0.00 0.00 -2.02 0.00 0.00 58.31 53.34 1qup n LYS 141 Cb 0.28 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1qup n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qup n GLY 142 N -0.95 1.33 0.26 0.72 0.00 -0.75 -3.02 105.19 102.77 1qup n GLY 142 Ca 0.16 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.50 1qup n GLY 142 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1qup h VAL 143 N 0.00 1.15 -0.70 1.61 -1.51 -1.90 -3.06 116.25 111.84 1qup h VAL 143 Ca 0.00 -0.61 0.12 0.00 -1.23 0.00 0.00 66.70 64.98 1qup h VAL 143 Cb 0.00 1.00 -0.08 0.00 -2.13 0.00 0.00 31.29 30.07 1qup h VAL 143 CO 0.00 0.20 0.28 -0.33 -1.23 0.00 0.00 177.57 176.50 1qup h GLU 144 N 0.34 0.45 0.00 5.19 5.08 -1.90 -1.84 114.58 121.89 1qup h GLU 144 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1qup h GLU 144 Cb 0.25 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1qup h GLU 144 CO 0.01 0.30 0.00 -1.13 -1.00 0.00 0.00 179.01 177.18 1qup n SER 145 N -4.97 0.00 -0.15 1.42 3.41 -1.16 -3.60 113.62 108.57 1qup n SER 145 Ca 0.12 -0.42 0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1qup n SER 145 Cb 0.34 -0.19 0.68 0.00 -0.26 0.00 0.00 64.21 64.78 1qup n SER 145 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qup n THR 146 N -1.19 0.00 -4.26 6.66 -2.24 -0.69 -4.36 114.28 108.20 1qup n THR 146 Ca 0.17 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1qup n THR 146 Cb 0.19 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1qup n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qup n GLY 147 N 1.19 -0.93 3.82 3.38 0.00 -1.24 -1.07 105.19 110.34 1qup n GLY 147 Ca 0.18 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1qup n GLY 147 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qup s LYS 148 N 0.00 2.83 0.18 1.61 -2.85 -1.26 -4.66 119.74 115.58 1qup s LYS 148 Ca 0.00 0.94 -0.31 0.00 -1.00 0.00 0.00 55.97 55.60 1qup s LYS 148 Cb 0.00 -1.98 -0.10 0.00 -2.06 0.00 0.00 37.83 33.69 1qup s LYS 148 CO 0.00 -1.17 1.53 0.08 0.10 0.00 0.00 175.35 175.89 1qup s VAL 149 N -3.05 2.68 -0.14 1.79 1.01 -1.26 -0.75 120.40 120.67 1qup s VAL 149 Ca 0.58 0.50 0.10 0.00 0.00 0.00 0.00 61.98 63.17 1qup s VAL 149 Cb -0.14 -3.32 -0.16 0.00 0.00 0.00 0.00 36.38 32.76 1qup s VAL 149 CO 0.55 0.05 0.01 1.87 0.00 0.00 0.00 175.10 177.58 1qup n TRP 150 N 3.69 0.00 -3.69 5.22 -0.00 0.14 -4.77 117.44 118.02 1qup n TRP 150 Ca 0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.52 1qup n TRP 150 Cb 0.39 -0.67 -0.11 0.00 -0.00 0.00 0.00 31.31 30.92 1qup n TRP 150 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1qup s HIS 151 N -2.33 -0.60 -0.11 5.87 2.46 -0.70 -4.98 115.29 114.91 1qup s HIS 151 Ca -0.09 1.27 -0.01 0.00 0.47 0.00 0.00 55.06 56.69 1qup s HIS 151 Cb 0.04 0.25 -0.03 0.00 -0.13 0.00 0.00 32.58 32.71 1qup s HIS 151 CO 0.54 -0.35 -0.05 0.21 -2.47 0.00 0.00 174.74 172.62 1qup s LYS 152 N 1.54 3.17 -0.23 2.88 2.20 -1.26 -0.28 119.74 127.76 1qup s LYS 152 Ca -0.09 -0.52 -0.12 0.00 -0.36 0.00 0.00 55.97 54.89 1qup s LYS 152 Cb -0.09 -2.75 -0.05 0.00 -1.51 0.00 0.00 37.83 33.43 1qup s LYS 152 CO -0.12 0.49 0.21 -0.06 -0.36 0.00 0.00 175.35 175.51 1qup s PHE 153 N -0.32 3.33 0.14 4.03 0.40 -0.83 -4.99 117.98 119.74 1qup s PHE 153 Ca 0.05 0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 56.69 1qup s PHE 153 Cb -0.12 -2.32 -0.07 0.00 0.51 0.00 0.00 43.02 41.01 1qup s PHE 153 CO 0.02 0.06 1.32 -0.44 0.70 0.00 0.00 175.22 176.89 1qup h ASP 154 N 7.45 0.36 -2.62 1.36 3.32 -1.98 -3.41 116.42 120.90 1qup h ASP 154 Ca -0.38 -0.30 -0.56 0.00 0.02 0.00 0.00 57.03 55.81 1qup h ASP 154 Cb 1.17 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1qup h ASP 154 CO 0.67 1.12 1.14 -1.61 -1.72 0.00 0.00 179.24 178.84 1qup s GLU 155 N -3.16 3.95 0.80 3.56 2.02 -1.26 -4.99 118.70 119.63 1qup s GLU 155 Ca -0.04 1.99 -0.11 0.00 0.02 0.00 0.00 54.97 56.83 1qup s GLU 155 Cb 0.09 -4.04 0.08 0.00 0.10 0.00 0.00 34.13 30.36 1qup s GLU 155 CO 0.85 -1.12 1.10 -2.14 0.02 0.00 0.00 175.26 173.97 1qup s PRO 156 N 4.47 1.99 -0.37 0.39 0.02 -1.26 -4.73 135.00 135.50 1qup s PRO 156 Ca 0.75 1.16 -0.07 0.00 0.02 0.00 0.00 61.00 62.87 1qup s PRO 156 Cb -0.30 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.41 1qup s PRO 156 CO 0.30 -1.83 0.16 0.42 -0.33 0.00 0.00 177.00 175.72 1qup s ILE 157 N -2.88 3.83 -0.23 2.83 1.01 0.12 -4.92 121.20 120.96 1qup s ILE 157 Ca 0.62 -1.32 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 1qup s ILE 157 Cb -0.18 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1qup s ILE 157 CO 0.56 -0.33 1.17 -1.61 0.00 0.00 0.00 174.94 174.73 1qup s GLU 158 N 1.37 4.17 -0.54 2.79 2.02 -1.26 -0.43 118.70 126.82 1qup s GLU 158 Ca 0.01 1.41 0.04 0.00 0.02 0.00 0.00 54.97 56.45 1qup s GLU 158 Cb -0.21 -3.74 0.14 0.00 0.10 0.00 0.00 34.13 30.42 1qup s GLU 158 CO 0.02 -0.78 0.29 0.00 0.02 0.00 0.00 175.26 174.81 1qup n PHE 160 N 2.95 0.00 -2.71 0.00 3.01 -1.17 -1.56 117.46 117.98 1qup n PHE 160 Ca 0.07 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.20 1qup n PHE 160 Cb 0.33 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.74 1qup n PHE 160 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1qup s ASN 161 N -0.20 6.73 0.20 4.37 0.01 -1.09 -4.87 114.94 120.09 1qup s ASN 161 Ca 0.00 1.76 -0.30 0.00 -0.71 0.00 0.00 52.86 53.60 1qup s ASN 161 Cb 0.00 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 39.03 1qup s ASN 161 CO 0.00 -0.51 1.29 -0.70 -1.51 0.00 0.00 177.10 175.67 1qup s GLU 162 N -3.25 4.41 0.32 -0.60 2.12 -1.26 -0.75 118.70 119.68 1qup s GLU 162 Ca 0.63 2.02 -0.26 0.00 0.36 0.00 0.00 54.97 57.72 1qup s GLU 162 Cb -0.11 -3.20 -0.10 0.00 0.26 0.00 0.00 34.13 30.98 1qup s GLU 162 CO 0.16 -0.22 0.94 0.45 -0.54 0.00 0.00 175.26 176.05 1qup s SER 163 N 0.29 7.35 -0.01 -1.70 0.15 -0.21 -4.61 113.70 114.96 1qup s SER 163 Ca 0.56 1.83 0.06 0.00 0.70 0.00 0.00 55.95 59.10 1qup s SER 163 Cb -0.36 -2.58 0.19 0.00 -1.71 0.00 0.00 66.02 61.56 1qup s SER 163 CO 0.38 -0.05 1.10 -0.90 1.20 0.00 0.00 173.24 174.96 1qup n ASP 164 N 0.61 1.30 -0.00 5.45 5.75 -1.26 -2.96 116.55 125.44 1qup n ASP 164 Ca 0.02 -2.04 0.06 0.00 -0.01 0.00 0.00 54.79 52.81 1qup n ASP 164 Cb 0.50 -0.21 -0.08 0.00 -1.03 0.00 0.00 41.12 40.30 1qup n ASP 164 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1qup n LEU 165 N 0.11 0.19 -3.64 -2.12 4.77 -1.26 -5.01 117.00 110.04 1qup n LEU 165 Ca 0.07 -0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 55.84 1qup n LEU 165 Cb 0.23 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1qup n LEU 165 CO 0.05 0.05 0.72 -0.83 -1.33 0.00 0.00 177.39 176.05 1qup s GLY 166 N -2.87 -0.00 0.62 -0.72 0.00 -1.15 -5.01 107.32 98.18 1qup s GLY 166 Ca -0.01 3.08 0.35 0.00 0.00 0.00 0.00 44.72 48.14 1qup s GLY 166 CO 0.47 2.42 2.24 1.70 0.00 0.00 0.00 173.10 179.93 1qup h LYS 167 N 5.57 0.00 -0.45 2.90 1.63 -1.95 -1.74 116.57 122.53 1qup h LYS 167 Ca -0.28 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1qup h LYS 167 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1qup h LYS 167 CO 0.18 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.27 1qup n ASN 168 N -3.50 3.20 -4.86 4.20 3.02 -1.26 -4.83 115.26 111.23 1qup n ASN 168 Ca -0.02 -1.98 -0.21 0.00 -0.03 0.00 0.00 54.58 52.34 1qup n ASN 168 Cb 0.15 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1qup n ASN 168 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qup s LEU 169 N -1.01 3.57 0.25 3.41 1.43 -0.65 -4.85 118.68 120.83 1qup s LEU 169 Ca 0.31 -0.53 0.11 0.00 -1.03 0.00 0.00 54.13 52.99 1qup s LEU 169 Cb 0.16 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1qup s LEU 169 CO 0.21 -0.41 -0.19 -0.31 0.23 0.00 0.00 176.35 175.88 1qup s TYR 170 N -2.33 2.14 0.11 0.29 1.51 0.08 -1.04 117.35 118.11 1qup s TYR 170 Ca 0.42 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1qup s TYR 170 Cb -0.05 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1qup s TYR 170 CO 0.27 0.59 0.01 -1.54 -1.11 0.00 0.00 175.55 173.78 1qup s SER 171 N -3.30 0.54 0.15 2.29 1.04 0.07 -1.24 113.70 113.24 1qup s SER 171 Ca 0.26 -1.12 -0.24 0.00 0.48 0.00 0.00 55.95 55.33 1qup s SER 171 Cb -0.05 0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.37 1qup s SER 171 CO 0.12 -0.65 0.74 -0.83 0.98 0.00 0.00 173.24 173.61 1qup s GLY 172 N -3.02 -0.42 -0.02 7.32 0.00 0.03 -2.66 107.32 108.55 1qup s GLY 172 Ca 0.18 0.39 -0.15 0.00 0.00 0.00 0.00 44.72 45.14 1qup s GLY 172 CO -0.02 0.13 0.32 -1.59 0.00 0.00 0.00 173.10 171.93 1qup s LYS 173 N -3.57 0.67 0.14 2.90 -2.85 -1.26 -0.26 119.74 115.50 1qup s LYS 173 Ca 0.06 -0.16 -0.18 0.00 -1.00 0.00 0.00 55.97 54.68 1qup s LYS 173 Cb -0.02 0.30 0.05 0.00 -2.06 0.00 0.00 37.83 36.09 1qup s LYS 173 CO -0.06 -0.18 0.47 -0.08 0.10 0.00 0.00 175.35 175.60 1qup s THR 174 N -1.27 0.04 -0.13 3.79 -1.32 -0.68 -4.70 115.64 111.37 1qup s THR 174 Ca -0.13 -0.39 0.01 0.00 -1.21 0.00 0.00 61.69 59.96 1qup s THR 174 Cb -0.05 -1.13 0.02 0.00 -1.51 0.00 0.00 72.50 69.83 1qup s THR 174 CO 0.04 -0.20 -0.13 0.12 -2.21 0.00 0.00 174.62 172.24 1qup s PHE 175 N -3.79 1.93 0.39 9.09 5.36 -1.26 -1.71 117.98 127.99 1qup s PHE 175 Ca 0.03 -1.01 0.05 0.00 -0.96 0.00 0.00 56.93 55.04 1qup s PHE 175 Cb 0.01 -1.45 -0.07 0.00 -0.34 0.00 0.00 43.02 41.17 1qup s PHE 175 CO -0.12 -0.57 0.03 -0.51 -1.46 0.00 0.00 175.22 172.59 1qup s LEU 176 N 1.40 2.57 0.12 6.12 1.43 -0.19 -4.96 118.68 125.18 1qup s LEU 176 Ca 0.02 -1.40 -0.07 0.00 -1.03 0.00 0.00 54.13 51.64 1qup s LEU 176 Cb -0.13 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 1qup s LEU 176 CO -0.08 -0.55 0.20 -0.94 0.23 0.00 0.00 176.35 175.22 1qup s SER 177 N -3.64 0.13 -0.04 2.29 1.04 -1.26 -0.19 113.70 112.03 1qup s SER 177 Ca 0.33 -0.84 -0.26 0.00 0.48 0.00 0.00 55.95 55.66 1qup s SER 177 Cb 0.09 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.63 1qup s SER 177 CO 0.16 -0.79 0.57 0.00 0.98 0.00 0.00 173.24 174.16 1qup s ALA 178 N -3.93 -1.47 -1.48 5.32 0.00 -0.43 -4.97 121.76 114.79 1qup s ALA 178 Ca 0.13 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.01 1qup s ALA 178 Cb 0.05 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1qup s ALA 178 CO -0.05 -0.34 2.59 -0.35 0.00 0.00 0.00 175.76 177.62 1qup n PRO 179 N 1.01 3.89 -3.94 0.00 -0.04 -1.26 -1.41 135.00 133.24 1qup n PRO 179 Ca -0.20 -2.78 -0.10 0.00 -0.04 0.00 0.00 63.50 60.39 1qup n PRO 179 Cb 0.57 -2.81 -0.11 0.00 -0.04 0.00 0.00 33.50 31.10 1qup n PRO 179 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qup s LEU 180 N -0.37 2.05 0.30 1.53 1.43 -1.20 -4.83 118.68 117.59 1qup s LEU 180 Ca 0.59 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 1qup s LEU 180 Cb 0.17 0.23 -0.03 0.00 0.03 0.00 0.00 46.19 46.59 1qup s LEU 180 CO -0.07 -0.29 0.47 -2.16 0.23 0.00 0.00 176.35 174.53 1qup s PRO 181 N -1.32 3.47 0.34 1.29 0.04 -1.26 -2.64 135.00 134.93 1qup s PRO 181 Ca -0.14 -0.49 0.03 0.00 0.04 0.00 0.00 61.00 60.44 1qup s PRO 181 Cb -0.09 -2.76 0.63 0.00 0.04 0.00 0.00 34.50 32.33 1qup s PRO 181 CO -0.00 0.27 1.97 1.15 0.04 0.00 0.00 177.00 180.43 1qup h THR 182 N 0.96 1.11 0.00 1.26 2.02 -1.86 -2.03 112.91 114.37 1qup h THR 182 Ca -0.50 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1qup h THR 182 Cb 1.22 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1qup h THR 182 CO 0.62 0.16 0.00 4.11 0.37 0.00 0.00 175.52 180.78 1qup h TRP 183 N 0.88 0.00 0.00 3.16 5.08 -1.95 0.95 115.95 124.07 1qup h TRP 183 Ca 0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.26 1qup h TRP 183 Cb 0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 1qup h TRP 183 CO -0.00 0.00 -0.69 1.96 -1.28 0.00 0.00 178.44 178.43 1qup h GLN 184 N 0.00 0.00 0.05 0.12 4.20 -1.77 -3.37 115.11 114.33 1qup h GLN 184 Ca 0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 1qup h GLN 184 Cb 0.01 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1qup h GLN 184 CO 0.00 0.00 -2.17 1.28 -0.67 0.00 0.00 178.83 177.27 1qup n LEU 185 N -2.12 2.07 -4.73 1.46 4.77 0.24 -4.88 117.00 113.82 1qup n LEU 185 Ca 0.03 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 1qup n LEU 185 Cb 0.44 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1qup n LEU 185 CO 0.37 0.75 1.05 2.30 -1.33 0.00 0.00 177.39 180.53 1qup n ILE 186 N -3.23 1.81 0.00 -0.08 -5.35 -0.70 -2.01 119.36 109.80 1qup n ILE 186 Ca -0.34 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 1qup n ILE 186 Cb 1.05 -1.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.17 1qup n ILE 186 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qup n GLY 187 N 0.91 2.43 2.98 3.28 0.00 -0.24 -4.99 105.19 109.56 1qup n GLY 187 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1qup n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qup n ARG 188 N -2.00 -0.15 -4.81 1.61 1.74 -0.85 -2.41 116.66 109.79 1qup n ARG 188 Ca 0.00 -2.00 -0.32 0.00 -0.77 0.00 0.00 57.85 54.76 1qup n ARG 188 Cb 0.00 -0.62 -0.13 0.00 -1.02 0.00 0.00 32.46 30.70 1qup n ARG 188 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qup s SER 189 N -4.25 4.03 -0.21 0.55 1.04 -1.12 -0.34 113.70 113.39 1qup s SER 189 Ca 0.52 -0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.63 1qup s SER 189 Cb -0.03 -0.82 -0.04 0.00 0.10 0.00 0.00 66.02 65.24 1qup s SER 189 CO 0.35 0.32 0.10 0.12 0.98 0.00 0.00 173.24 175.12 1qup s PHE 190 N -0.80 3.25 -0.05 5.02 5.36 -0.20 -1.10 117.98 129.48 1qup s PHE 190 Ca 0.13 0.07 0.04 0.00 -0.96 0.00 0.00 56.93 56.20 1qup s PHE 190 Cb -0.11 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 1qup s PHE 190 CO 0.02 0.05 -0.15 0.08 -1.46 0.00 0.00 175.22 173.76 1qup s VAL 191 N 0.82 1.30 -0.06 3.12 1.01 0.01 -1.79 120.40 124.80 1qup s VAL 191 Ca 0.05 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1qup s VAL 191 Cb -0.13 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1qup s VAL 191 CO 0.02 0.38 -0.20 -0.63 0.00 0.00 0.00 175.10 174.68 1qup s ILE 192 N 0.20 1.66 0.21 2.22 1.01 -0.50 -1.05 121.20 124.95 1qup s ILE 192 Ca -0.06 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 1qup s ILE 192 Cb -0.12 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1qup s ILE 192 CO 0.02 0.47 0.37 -0.94 0.00 0.00 0.00 174.94 174.87 1qup s SER 193 N 0.17 -0.03 -0.15 3.58 1.04 -0.13 -1.35 113.70 116.82 1qup s SER 193 Ca -0.09 -0.91 -0.19 0.00 0.48 0.00 0.00 55.95 55.24 1qup s SER 193 Cb -0.14 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.53 1qup s SER 193 CO 0.04 -1.01 0.51 -0.75 0.98 0.00 0.00 173.24 173.02 1qup s LYS 194 N -4.00 0.67 0.26 4.02 2.20 -0.66 -0.86 119.74 121.38 1qup s LYS 194 Ca 0.21 0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 56.06 1qup s LYS 194 Cb 0.02 0.32 -0.10 0.00 -1.51 0.00 0.00 37.83 36.55 1qup s LYS 194 CO 0.05 -0.12 1.46 0.45 -0.36 0.00 0.00 175.35 176.82 1qup s SER 195 N -0.13 6.61 0.29 1.43 0.15 -1.26 -0.45 113.70 120.34 1qup s SER 195 Ca -0.03 2.72 -0.29 0.00 0.70 0.00 0.00 55.95 59.05 1qup s SER 195 Cb -0.03 -2.63 -0.10 0.00 -1.71 0.00 0.00 66.02 61.55 1qup s SER 195 CO 0.02 -0.73 1.35 -0.76 1.20 0.00 0.00 173.24 174.32 1qup s LEU 196 N -0.54 4.41 0.24 3.45 1.43 -0.36 -4.80 118.68 122.51 1qup s LEU 196 Ca 0.59 2.66 -0.02 0.00 -1.03 0.00 0.00 54.13 56.32 1qup s LEU 196 Cb -0.43 -3.64 0.26 0.00 0.03 0.00 0.00 46.19 42.42 1qup s LEU 196 CO 0.45 -0.59 1.67 0.78 0.23 0.00 0.00 176.35 178.89 1qup h ASN 197 N 4.10 0.71 -2.17 2.29 2.35 -1.92 -3.36 115.58 117.58 1qup h ASN 197 Ca -0.48 -0.24 -0.58 0.00 -0.55 0.00 0.00 56.30 54.45 1qup h ASN 197 Cb 1.22 -0.19 -0.40 0.00 0.05 0.00 0.00 38.32 39.00 1qup h ASN 197 CO 0.70 0.90 -0.85 1.41 -1.65 0.00 0.00 177.43 177.94 1qup n HIS 198 N -4.13 1.51 0.33 1.19 8.25 -1.26 -4.95 115.22 116.15 1qup n HIS 198 Ca 0.00 -3.84 0.20 0.00 -0.26 0.00 0.00 57.72 53.83 1qup n HIS 198 Cb 0.40 -0.41 1.08 0.00 1.12 0.00 0.00 29.99 32.18 1qup n HIS 198 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1qup h PRO 199 N 4.26 0.00 -0.67 -0.41 0.13 -1.90 -2.47 132.00 130.94 1qup h PRO 199 Ca 0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1qup h PRO 199 Cb 0.78 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 1qup h PRO 199 CO 0.63 0.00 0.32 0.93 -0.23 0.00 0.00 178.00 179.65 1qup h GLU 200 N 0.00 0.96 0.00 0.86 3.07 -1.92 -2.02 114.58 115.52 1qup h GLU 200 Ca 0.01 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1qup h GLU 200 Cb 0.19 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1qup h GLU 200 CO -0.00 0.74 0.00 0.09 -1.40 0.00 0.00 179.01 178.44 1qup n ASN 201 N -4.34 0.00 -4.32 1.42 3.02 -0.93 -4.63 115.26 105.48 1qup n ASN 201 Ca 0.06 -1.03 -0.45 0.00 -0.03 0.00 0.00 54.58 53.14 1qup n ASN 201 Cb 0.14 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 1qup n ASN 201 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qup s GLU 202 N -2.00 2.90 0.62 3.52 0.41 -0.76 -4.76 118.70 118.63 1qup s GLU 202 Ca 0.40 -1.58 0.36 0.00 -0.41 0.00 0.00 54.97 53.74 1qup s GLU 202 Cb 0.18 -4.17 2.03 0.00 -1.78 0.00 0.00 34.13 30.40 1qup s GLU 202 CO 0.31 -1.19 2.28 -1.00 -0.49 0.00 0.00 175.26 175.17 1qup h PRO 203 N 8.76 0.00 0.00 0.39 0.13 -1.85 -0.82 132.00 138.62 1qup h PRO 203 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1qup h PRO 203 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qup h PRO 203 CO 0.95 0.01 0.00 0.43 -0.23 0.00 0.00 178.00 179.16 1qup n SER 204 N -3.49 0.31 0.00 1.44 7.64 -1.26 -4.79 113.62 113.47 1qup n SER 204 Ca -0.03 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1qup n SER 204 Cb 0.10 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1qup n SER 204 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1qup n SER 205 N -1.90 -4.57 -4.81 6.43 7.64 -0.31 -4.95 113.62 111.15 1qup n SER 205 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1qup n SER 205 Cb 0.07 -2.78 -0.02 0.00 -1.01 0.00 0.00 64.21 60.46 1qup n SER 205 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1qup s VAL 206 N -1.25 3.98 -0.16 0.44 1.01 -1.26 -4.98 120.40 118.18 1qup s VAL 206 Ca 0.00 1.09 0.13 0.00 0.00 0.00 0.00 61.98 63.20 1qup s VAL 206 Cb 0.00 -3.49 -0.18 0.00 0.00 0.00 0.00 36.38 32.71 1qup s VAL 206 CO 0.00 -0.40 0.34 0.29 0.00 0.00 0.00 175.10 175.33 1qup n LYS 207 N -1.37 1.00 -4.48 2.72 4.76 -1.26 -4.87 118.16 114.66 1qup n LYS 207 Ca 0.08 -0.09 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 1qup n LYS 207 Cb 0.53 -1.25 -0.13 0.00 -1.84 0.00 0.00 35.03 32.34 1qup n LYS 207 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1qup s ASP 208 N -3.16 2.86 -0.37 4.39 1.01 -1.26 -1.23 116.67 118.91 1qup s ASP 208 Ca -0.02 -0.66 -0.14 0.00 0.71 0.00 0.00 52.55 52.43 1qup s ASP 208 Cb 0.09 -0.20 -0.00 0.00 1.01 0.00 0.00 42.92 43.81 1qup s ASP 208 CO 0.53 0.15 0.30 -0.47 0.21 0.00 0.00 175.17 175.89 1qup s TYR 209 N -1.00 3.22 0.07 4.23 5.04 0.40 -4.85 117.35 124.46 1qup s TYR 209 Ca 0.10 -0.30 0.04 0.00 -2.44 0.00 0.00 57.07 54.47 1qup s TYR 209 Cb -0.10 -2.59 -0.03 0.00 0.35 0.00 0.00 41.96 39.59 1qup s TYR 209 CO 0.04 -0.48 -0.11 -1.54 -1.34 0.00 0.00 175.55 172.12 1qup s SER 210 N 1.72 1.34 -0.01 4.32 1.04 -1.26 -1.65 113.70 119.21 1qup s SER 210 Ca 0.08 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.86 1qup s SER 210 Cb -0.18 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1qup s SER 210 CO 0.11 -0.17 -0.03 0.72 0.98 0.00 0.00 173.24 174.84 1qup s PHE 211 N -1.67 0.34 0.27 5.02 -0.12 -0.46 -4.42 117.98 116.95 1qup s PHE 211 Ca -0.02 -0.06 -0.13 0.00 -0.05 0.00 0.00 56.93 56.67 1qup s PHE 211 Cb -0.08 -0.24 0.00 0.00 -0.63 0.00 0.00 43.02 42.07 1qup s PHE 211 CO 0.01 -0.02 0.53 -0.48 -0.05 0.00 0.00 175.22 175.20 1qup s LEU 212 N 0.03 0.32 0.11 -1.99 2.34 0.16 -1.40 118.68 118.24 1qup s LEU 212 Ca 0.00 -0.98 -0.25 0.00 0.06 0.00 0.00 54.13 52.96 1qup s LEU 212 Cb -0.03 1.91 0.08 0.00 -0.56 0.00 0.00 46.19 47.59 1qup s LEU 212 CO -0.00 -1.22 0.73 -0.83 -1.06 0.00 0.00 176.35 173.96 1qup s GLY 213 N -3.04 -0.51 0.25 -3.48 0.00 -0.74 -1.38 107.32 98.42 1qup s GLY 213 Ca 0.22 0.59 -0.30 0.00 0.00 0.00 0.00 44.72 45.23 1qup s GLY 213 CO 0.10 0.19 1.05 0.14 0.00 0.00 0.00 173.10 174.59 1qup s VAL 214 N -3.52 3.75 -0.29 1.40 1.01 -1.26 -1.03 120.40 120.46 1qup s VAL 214 Ca 0.04 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.44 1qup s VAL 214 Cb -0.01 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1qup s VAL 214 CO -0.09 0.39 1.12 -0.63 0.00 0.00 0.00 175.10 175.88 1qup s ILE 215 N -0.98 4.46 0.11 2.22 1.01 0.53 -4.44 121.20 124.11 1qup s ILE 215 Ca 0.44 1.70 0.08 0.00 0.00 0.00 0.00 60.65 62.87 1qup s ILE 215 Cb -0.29 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 1qup s ILE 215 CO 0.37 -0.40 -0.12 0.00 0.00 0.00 0.00 174.94 174.78 1qup s ALA 216 N 3.68 2.88 0.37 9.38 0.00 0.55 -1.08 121.76 137.54 1qup s ALA 216 Ca 0.48 -1.28 -0.28 0.00 0.00 0.00 0.00 51.96 50.89 1qup s ALA 216 Cb -0.14 -0.82 -0.10 0.00 0.00 0.00 0.00 23.12 22.06 1qup s ALA 216 CO 0.15 0.63 1.34 1.03 0.00 0.00 0.00 175.76 178.91 1qup s ARG 217 N -2.19 4.15 0.07 0.00 0.52 -1.26 -0.51 118.95 119.72 1qup s ARG 217 Ca 0.20 2.26 -0.01 0.00 -0.52 0.00 0.00 55.73 57.67 1qup s ARG 217 Cb -0.11 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 1qup s ARG 217 CO 0.13 -0.38 -0.00 0.45 0.02 0.00 0.00 175.30 175.52 1qup s SER 218 N -0.52 0.43 0.35 0.23 0.15 -0.59 -4.75 113.70 109.01 1qup s SER 218 Ca 0.53 -1.04 0.19 0.00 0.70 0.00 0.00 55.95 56.32 1qup s SER 218 Cb -0.40 0.23 0.34 0.00 -1.71 0.00 0.00 66.02 64.47 1qup s SER 218 CO 0.53 -0.64 1.57 0.00 1.20 0.00 0.00 173.24 175.91 1qup h ALA 219 N 3.07 0.82 0.00 5.45 0.00 -1.95 -3.37 119.26 123.27 1qup h ALA 219 Ca -0.34 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1qup h ALA 219 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1qup h ALA 219 CO 0.64 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.74 1qup n GLY 220 N 0.91 0.56 3.45 0.00 0.00 -1.26 -4.52 105.19 104.33 1qup n GLY 220 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1qup n GLY 220 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qup n VAL 221 N -2.72 4.25 -0.18 1.61 0.31 -1.26 -1.77 118.33 118.57 1qup n VAL 221 Ca 0.00 -4.71 0.00 0.00 -0.01 0.00 0.00 64.34 59.62 1qup n VAL 221 Cb 0.03 -2.46 0.00 0.00 -0.91 0.00 0.00 33.84 30.50 1qup n VAL 221 CO 0.00 0.00 0.00 -2.67 -1.32 0.00 0.00 176.83 172.84