#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qae s ASP 7 N 0.00 5.28 0.00 4.38 2.15 -1.26 -4.93 116.67 122.29 1qae s ASP 7 Ca 0.00 -1.64 0.21 0.00 0.43 0.00 0.00 52.55 51.55 1qae s ASP 7 Cb 0.00 -1.85 0.56 0.00 -0.30 0.00 0.00 42.92 41.33 1qae s ASP 7 CO 0.00 -0.46 1.47 0.59 -0.17 0.00 0.00 175.17 176.60 1qae n ASN 8 N 4.71 3.43 -0.01 -0.34 3.02 -1.26 -4.34 115.26 120.46 1qae n ASN 8 Ca -0.08 -1.99 -0.01 0.00 -0.03 0.00 0.00 54.58 52.48 1qae n ASN 8 Cb 0.42 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 1qae n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qae n ALA 10 N -2.05 0.00 -1.45 0.00 0.00 -1.26 -4.16 120.51 111.60 1qae n ALA 10 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 1qae n ALA 10 Cb 0.53 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.19 1qae n ALA 10 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qae n VAL 11 N 0.00 2.49 -0.08 0.00 0.24 -1.26 -5.03 118.33 114.69 1qae n VAL 11 Ca 0.00 -2.76 0.00 0.00 -2.04 0.00 0.00 64.34 59.54 1qae n VAL 11 Cb 0.00 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 1qae n VAL 11 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qae n GLY 12 N -1.10 0.48 3.75 7.63 0.00 -1.26 -0.70 105.19 114.00 1qae n GLY 12 Ca 0.31 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 1qae n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qae s PRO 14 N -4.48 3.25 0.29 0.00 0.02 -1.26 -4.23 135.00 128.58 1qae s PRO 14 Ca 0.66 2.19 0.08 0.00 0.02 0.00 0.00 61.00 63.95 1qae s PRO 14 Cb -0.21 -2.30 -0.04 0.00 0.02 0.00 0.00 34.50 31.97 1qae s PRO 14 CO 0.50 -1.09 0.16 0.95 -0.33 0.00 0.00 177.00 177.20 1qae s THR 15 N -1.32 3.79 0.00 0.99 -4.23 -0.79 -4.66 115.64 109.41 1qae s THR 15 Ca 0.70 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1qae s THR 15 Cb -0.39 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1qae s THR 15 CO 0.47 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1qae n GLY 16 N -1.15 0.37 3.75 3.99 0.00 -1.26 -1.26 105.19 109.63 1qae n GLY 16 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1qae n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qae s GLY 17 N -1.67 2.72 0.39 -0.02 0.00 -1.26 -4.75 107.32 102.73 1qae s GLY 17 Ca 0.00 1.00 0.07 0.00 0.00 0.00 0.00 44.72 45.79 1qae s GLY 17 CO 0.00 1.39 1.98 1.48 0.00 0.00 0.00 173.10 177.95 1qae h SER 18 N 0.85 0.40 -3.06 1.64 4.64 -1.93 -3.42 113.55 112.67 1qae h SER 18 Ca -0.50 -0.04 -0.60 0.00 -0.47 0.00 0.00 61.79 60.17 1qae h SER 18 Cb 1.30 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1qae h SER 18 CO 0.55 0.39 -0.21 -0.55 -0.87 0.00 0.00 176.83 176.14 1qae s SER 19 N -6.76 6.74 0.31 4.97 0.15 -1.24 -4.99 113.70 112.89 1qae s SER 19 Ca -0.07 0.90 0.19 0.00 0.70 0.00 0.00 55.95 57.67 1qae s SER 19 Cb 0.16 -2.22 0.14 0.00 -1.71 0.00 0.00 66.02 62.39 1qae s SER 19 CO 0.74 0.25 1.39 0.78 1.20 0.00 0.00 173.24 177.61 1qae h ASN 20 N 4.25 0.00 -4.27 5.45 2.35 -1.93 -3.45 115.58 117.99 1qae h ASN 20 Ca -0.51 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 54.55 1qae h ASN 20 Cb 1.21 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.32 1qae h ASN 20 CO 0.63 0.25 -0.82 0.54 -1.65 0.00 0.00 177.43 176.38 1qae s VAL 21 N -3.11 2.61 0.20 2.81 0.11 -1.26 -5.13 120.40 116.63 1qae s VAL 21 Ca 0.04 -0.93 0.08 0.00 -2.93 0.00 0.00 61.98 58.24 1qae s VAL 21 Cb 0.07 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.89 1qae s VAL 21 CO 0.73 0.56 -0.02 -0.44 -3.33 0.00 0.00 175.10 172.60 1qae s SER 22 N -0.75 4.61 -0.20 3.54 0.01 -1.26 -4.68 113.70 114.97 1qae s SER 22 Ca 0.11 -0.50 -0.19 0.00 1.31 0.00 0.00 55.95 56.68 1qae s SER 22 Cb -0.10 -0.91 -0.03 0.00 0.21 0.00 0.00 66.02 65.18 1qae s SER 22 CO 0.00 0.07 0.54 -0.63 0.41 0.00 0.00 173.24 173.63 1qae s ILE 23 N -1.89 5.08 -0.21 1.44 1.01 0.59 -4.90 121.20 122.33 1qae s ILE 23 Ca 0.28 0.99 -0.04 0.00 0.00 0.00 0.00 60.65 61.89 1qae s ILE 23 Cb -0.08 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 1qae s ILE 23 CO 0.18 0.16 -0.04 -0.69 0.00 0.00 0.00 174.94 174.55 1qae s VAL 24 N 1.75 3.48 0.32 2.92 1.01 -1.26 -0.42 120.40 128.20 1qae s VAL 24 Ca 0.25 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1qae s VAL 24 Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1qae s VAL 24 CO 0.10 0.43 0.14 -0.13 0.00 0.00 0.00 175.10 175.64 1qae s ARG 25 N 1.27 1.63 0.17 2.72 0.52 0.76 -5.01 118.95 121.01 1qae s ARG 25 Ca 0.03 -1.94 -0.05 0.00 -0.52 0.00 0.00 55.73 53.26 1qae s ARG 25 Cb -0.14 -0.23 0.04 0.00 0.52 0.00 0.00 34.95 35.14 1qae s ARG 25 CO -0.01 -0.42 1.45 0.45 0.02 0.00 0.00 175.30 176.78 1qae h HIS 26 N 2.16 0.75 -0.32 -0.53 3.86 -1.98 -3.16 115.15 115.92 1qae h HIS 26 Ca -0.35 -0.29 -0.09 0.00 -1.16 0.00 0.00 60.37 58.48 1qae h HIS 26 Cb 1.25 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.58 1qae h HIS 26 CO 1.02 1.05 -0.19 0.00 0.86 0.00 0.00 177.93 180.67 1qae h ALA 27 N 0.88 1.06 -2.12 2.45 0.00 -1.92 -3.46 119.26 116.14 1qae h ALA 27 Ca -0.01 -0.33 0.32 0.00 0.00 0.00 0.00 54.91 54.89 1qae h ALA 27 Cb 1.20 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1qae h ALA 27 CO 0.12 0.57 0.85 1.52 0.00 0.00 0.00 179.25 182.31 1qae s TYR 28 N -4.62 0.03 -0.06 0.00 -0.85 -1.19 -4.61 117.35 106.04 1qae s TYR 28 Ca -0.08 -0.18 0.03 0.00 -0.52 0.00 0.00 57.07 56.32 1qae s TYR 28 Cb 0.14 0.58 0.01 0.00 0.38 0.00 0.00 41.96 43.06 1qae s TYR 28 CO 0.80 -0.36 -0.15 0.99 -1.52 0.00 0.00 175.55 175.32 1qae s THR 29 N -2.08 1.30 0.02 -3.49 2.01 -0.08 -0.17 115.64 113.14 1qae s THR 29 Ca 0.27 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.69 1qae s THR 29 Cb -0.00 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 1qae s THR 29 CO -0.00 0.39 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.03 1qae s LEU 30 N 0.43 2.13 -0.27 4.42 0.20 0.44 -0.78 118.68 125.25 1qae s LEU 30 Ca -0.11 -0.32 -0.01 0.00 0.69 0.00 0.00 54.13 54.37 1qae s LEU 30 Cb -0.14 -0.20 0.04 0.00 -0.43 0.00 0.00 46.19 45.46 1qae s LEU 30 CO 0.04 -0.08 -0.04 0.21 -0.29 0.00 0.00 176.35 176.19 1qae s ASN 31 N -0.85 4.57 0.44 3.68 3.84 -0.87 -0.30 114.94 125.44 1qae s ASN 31 Ca -0.04 -1.11 -0.12 0.00 0.21 0.00 0.00 52.86 51.79 1qae s ASN 31 Cb -0.06 -1.67 -0.07 0.00 -0.55 0.00 0.00 41.25 38.91 1qae s ASN 31 CO 0.00 -0.19 0.83 0.21 -2.79 0.00 0.00 177.10 175.16 1qae s ASN 32 N 1.26 6.54 -0.29 -4.21 2.47 -1.26 0.27 114.94 119.72 1qae s ASN 32 Ca -0.03 1.24 0.03 0.00 0.42 0.00 0.00 52.86 54.52 1qae s ASN 32 Cb -0.18 -2.37 0.08 0.00 -1.45 0.00 0.00 41.25 37.33 1qae s ASN 32 CO -0.03 -0.46 -0.02 0.21 -3.72 0.00 0.00 177.10 173.08 1qae s ASN 33 N -3.16 4.49 0.09 -4.21 3.84 -0.97 -3.60 114.94 111.42 1qae s ASN 33 Ca 0.53 -1.72 0.15 0.00 0.21 0.00 0.00 52.86 52.03 1qae s ASN 33 Cb -0.10 -1.50 0.65 0.00 -0.55 0.00 0.00 41.25 39.74 1qae s ASN 33 CO 0.32 -0.29 1.46 -1.54 -2.79 0.00 0.00 177.10 174.26 1qae n SER 34 N 4.40 0.21 -0.05 -4.21 3.41 -1.26 -0.56 113.62 115.56 1qae n SER 34 Ca -0.05 0.56 -0.21 0.00 -0.26 0.00 0.00 58.87 58.91 1qae n SER 34 Cb 0.42 -0.60 -0.13 0.00 -0.26 0.00 0.00 64.21 63.64 1qae n SER 34 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1qae h THR 35 N 0.00 0.97 0.00 6.66 2.02 -1.92 -3.38 112.91 117.26 1qae h THR 35 Ca 0.00 -2.28 -0.12 0.00 0.77 0.00 0.00 66.41 64.78 1qae h THR 35 Cb 0.22 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 1qae h THR 35 CO 0.00 0.54 -0.79 0.71 0.37 0.00 0.00 175.52 176.35 1qae h THR 36 N -0.62 0.73 0.00 3.16 1.35 -1.84 -3.38 112.91 112.31 1qae h THR 36 Ca -0.32 -2.12 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 1qae h THR 36 Cb 1.53 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 1qae h THR 36 CO -0.07 0.42 0.00 0.29 -0.25 0.00 0.00 175.52 175.91 1qae n LYS 37 N -3.11 0.00 -4.32 4.72 4.76 0.28 -2.34 118.16 118.15 1qae n LYS 37 Ca -0.02 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.22 1qae n LYS 37 Cb 0.76 -2.30 -0.11 0.00 -1.84 0.00 0.00 35.03 31.55 1qae n LYS 37 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1qae s PHE 38 N -2.53 1.70 0.27 2.13 0.08 -1.21 -4.22 117.98 114.19 1qae s PHE 38 Ca 0.00 -0.52 -0.29 0.00 0.12 0.00 0.00 56.93 56.24 1qae s PHE 38 Cb 0.00 -0.84 -0.10 0.00 -0.57 0.00 0.00 43.02 41.51 1qae s PHE 38 CO 0.00 0.30 1.31 0.00 -0.10 0.00 0.00 175.22 176.72 1qae s ALA 39 N -2.31 3.52 0.21 5.36 0.00 -1.25 -2.30 121.76 124.98 1qae s ALA 39 Ca 0.16 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.27 1qae s ALA 39 Cb -0.04 -3.48 0.17 0.00 0.00 0.00 0.00 23.12 19.78 1qae s ALA 39 CO 0.06 -0.57 1.57 -0.91 0.00 0.00 0.00 175.76 175.91 1qae h ASN 40 N 4.37 0.65 -4.92 0.00 2.35 -0.46 -3.40 115.58 114.17 1qae h ASN 40 Ca -0.47 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 54.96 1qae h ASN 40 Cb 1.22 -0.18 -0.17 0.00 0.05 0.00 0.00 38.32 39.24 1qae h ASN 40 CO 0.72 0.98 0.23 -1.66 -1.65 0.00 0.00 177.43 176.05 1qae s TRP 41 N -4.23 -0.59 -0.06 1.19 1.48 -1.24 -4.17 118.94 111.32 1qae s TRP 41 Ca -0.08 0.84 -0.01 0.00 -1.06 0.00 0.00 56.10 55.79 1qae s TRP 41 Cb 0.12 0.46 0.03 0.00 -1.16 0.00 0.00 33.47 32.92 1qae s TRP 41 CO 0.83 -0.65 0.00 0.08 -4.06 0.00 0.00 176.95 173.15 1qae s VAL 42 N -1.95 0.31 -0.10 -0.66 1.01 0.77 -2.05 120.40 117.72 1qae s VAL 42 Ca -0.06 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1qae s VAL 42 Cb -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1qae s VAL 42 CO 0.02 0.23 -0.07 0.00 0.00 0.00 0.00 175.10 175.28 1qae s ALA 43 N 1.77 2.92 0.08 5.51 0.00 0.04 -1.10 121.76 130.99 1qae s ALA 43 Ca 0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1qae s ALA 43 Cb -0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1qae s ALA 43 CO -0.04 0.45 0.05 1.52 0.00 0.00 0.00 175.76 177.74 1qae s TYR 44 N -0.39 0.53 -0.26 0.00 1.13 -0.06 -0.91 117.35 117.39 1qae s TYR 44 Ca 0.05 -1.01 0.01 0.00 -1.41 0.00 0.00 57.07 54.72 1qae s TYR 44 Cb -0.12 -0.33 0.07 0.00 -1.10 0.00 0.00 41.96 40.48 1qae s TYR 44 CO 0.02 -0.47 -0.00 -1.58 -2.51 0.00 0.00 175.55 171.01 1qae s HIS 45 N -3.95 2.43 -0.03 -3.49 2.46 -1.26 -1.37 115.29 110.08 1qae s HIS 45 Ca 0.12 -1.92 -0.22 0.00 0.47 0.00 0.00 55.06 53.51 1qae s HIS 45 Cb 0.07 -1.80 -0.05 0.00 -0.13 0.00 0.00 32.58 30.67 1qae s HIS 45 CO -0.07 -0.82 0.63 0.42 -2.47 0.00 0.00 174.74 172.44 1qae s ILE 46 N 1.38 4.96 0.36 0.89 1.01 0.18 -4.93 121.20 125.05 1qae s ILE 46 Ca 0.00 1.31 0.04 0.00 0.00 0.00 0.00 60.65 62.00 1qae s ILE 46 Cb -0.18 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1qae s ILE 46 CO -0.10 0.35 0.15 0.42 0.00 0.00 0.00 174.94 175.76 1qae s THR 47 N 0.20 0.52 0.54 2.92 -4.23 -1.26 -1.44 115.64 112.89 1qae s THR 47 Ca 0.33 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.12 1qae s THR 47 Cb -0.18 -2.45 0.33 0.00 1.34 0.00 0.00 72.50 71.54 1qae s THR 47 CO 0.17 0.00 2.20 0.11 -0.54 0.00 0.00 174.62 176.56 1qae h LYS 48 N 1.98 0.00 -0.14 3.99 6.56 -1.86 -2.62 116.57 124.48 1qae h LYS 48 Ca -0.34 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 1qae h LYS 48 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 1qae h LYS 48 CO 0.55 0.03 0.00 -0.25 -2.06 0.00 0.00 179.45 177.72 1qae n ASP 49 N -3.85 2.54 -0.02 0.86 8.00 -1.26 -4.48 116.55 118.34 1qae n ASP 49 Ca -0.03 -1.83 -0.15 0.00 0.71 0.00 0.00 54.79 53.49 1qae n ASP 49 Cb 0.12 -0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.00 1qae n ASP 49 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1qae n THR 50 N 0.94 1.67 -1.98 -3.53 -2.24 -0.99 -4.66 114.28 103.49 1qae n THR 50 Ca 0.17 -0.73 -0.37 0.00 -2.27 0.00 0.00 64.05 60.86 1qae n THR 50 Cb 0.50 -1.34 0.03 0.00 -2.10 0.00 0.00 70.33 67.42 1qae n THR 50 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1qae s PRO 51 N -2.57 3.05 -0.28 -0.78 0.02 -0.91 0.12 135.00 133.64 1qae s PRO 51 Ca -0.14 1.91 -0.21 0.00 0.02 0.00 0.00 61.00 62.57 1qae s PRO 51 Cb 0.07 -2.03 0.10 0.00 0.02 0.00 0.00 34.50 32.67 1qae s PRO 51 CO 0.79 -1.16 0.85 0.00 -0.33 0.00 0.00 177.00 177.14 1qae s ALA 52 N -1.52 -1.95 0.42 -1.55 0.00 -0.19 -4.38 121.76 112.59 1qae s ALA 52 Ca 0.75 2.12 0.07 0.00 0.00 0.00 0.00 51.96 54.91 1qae s ALA 52 Cb -0.32 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1qae s ALA 52 CO 0.36 -0.32 0.28 -1.54 0.00 0.00 0.00 175.76 174.54 1qae s SER 53 N 0.83 4.72 0.00 0.00 1.04 -1.26 -4.42 113.70 114.61 1qae s SER 53 Ca -0.03 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1qae s SER 53 Cb -0.05 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1qae s SER 53 CO -0.09 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1qae n GLY 54 N -1.39 0.53 3.81 7.32 0.00 -1.26 -5.02 105.19 109.17 1qae n GLY 54 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1qae n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qae s LYS 55 N -0.23 4.27 0.60 1.61 -0.14 -1.26 -5.05 119.74 119.53 1qae s LYS 55 Ca 0.00 1.18 -0.05 0.00 -1.36 0.00 0.00 55.97 55.74 1qae s LYS 55 Cb 0.00 -2.30 0.02 0.00 -1.68 0.00 0.00 37.83 33.86 1qae s LYS 55 CO 0.00 0.00 0.90 0.95 -0.76 0.00 0.00 175.35 176.44 1qae s THR 56 N -2.05 3.45 -0.68 2.17 -4.23 -1.26 -5.06 115.64 107.99 1qae s THR 56 Ca 0.60 -0.09 -0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1qae s THR 56 Cb -0.12 -3.38 0.17 0.00 1.34 0.00 0.00 72.50 70.52 1qae s THR 56 CO 0.16 -0.38 0.49 -0.13 -0.54 0.00 0.00 174.62 174.22 1qae s ARG 57 N -4.99 2.61 -0.85 3.99 3.00 -1.26 -5.01 118.95 116.44 1qae s ARG 57 Ca 0.54 -2.85 -0.14 0.00 0.00 0.00 0.00 55.73 53.28 1qae s ARG 57 Cb -0.11 -3.66 0.21 0.00 0.00 0.00 0.00 34.95 31.39 1qae s ARG 57 CO 0.44 -1.20 0.82 -0.80 0.00 0.00 0.00 175.30 174.56 1qae s ASN 58 N -0.02 6.77 0.30 0.23 0.02 -1.26 -5.04 114.94 115.93 1qae s ASN 58 Ca 0.21 -2.65 -0.29 0.00 -1.02 0.00 0.00 52.86 49.10 1qae s ASN 58 Cb -0.16 -2.23 -0.13 0.00 0.02 0.00 0.00 41.25 38.75 1qae s ASN 58 CO -0.07 -0.62 1.37 0.79 0.02 0.00 0.00 177.10 178.59 1qae n TRP 59 N 4.23 2.30 -3.74 2.20 7.02 -1.26 -4.81 117.44 123.38 1qae n TRP 59 Ca 0.15 0.48 -0.13 0.00 -1.02 0.00 0.00 57.50 56.98 1qae n TRP 59 Cb 0.47 -2.45 -0.08 0.00 -2.42 0.00 0.00 31.31 26.83 1qae n TRP 59 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1qae s LYS 60 N -1.18 0.74 0.20 -0.99 1.02 -1.06 -4.87 119.74 113.59 1qae s LYS 60 Ca 0.61 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 56.07 1qae s LYS 60 Cb -0.59 0.33 -0.08 0.00 -0.52 0.00 0.00 37.83 36.96 1qae s LYS 60 CO 0.56 -0.22 1.23 0.99 -0.92 0.00 0.00 175.35 176.99 1qae s THR 61 N -1.62 3.42 -0.06 2.17 2.01 -1.26 -0.68 115.64 119.62 1qae s THR 61 Ca -0.11 1.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.81 1qae s THR 61 Cb -0.04 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.63 1qae s THR 61 CO 0.03 0.20 1.96 -0.62 -0.69 0.00 0.00 174.62 175.50 1qae s ASP 62 N 0.08 6.22 0.31 3.53 -1.08 -1.26 -4.84 116.67 119.62 1qae s ASP 62 Ca 0.53 2.33 0.25 0.00 -0.52 0.00 0.00 52.55 55.14 1qae s ASP 62 Cb -0.34 -2.53 1.05 0.00 -1.46 0.00 0.00 42.92 39.64 1qae s ASP 62 CO 0.38 -1.29 1.76 1.55 0.52 0.00 0.00 175.17 178.09 1qae h PRO 63 N 11.61 0.00 0.00 4.34 0.13 -2.01 -2.96 132.00 143.11 1qae h PRO 63 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1qae h PRO 63 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1qae h PRO 63 CO 0.95 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 178.50 1qae n ALA 64 N -1.82 2.66 -2.62 -0.56 0.00 -1.26 -4.88 120.51 112.02 1qae n ALA 64 Ca 0.02 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 1qae n ALA 64 Cb 0.24 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 1qae n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qae s LEU 65 N -3.71 3.51 0.01 0.00 1.43 -1.12 -5.08 118.68 113.72 1qae s LEU 65 Ca 0.11 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 1qae s LEU 65 Cb 0.16 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 1qae s LEU 65 CO 0.62 -0.19 1.29 0.21 0.23 0.00 0.00 176.35 178.51 1qae s ASN 66 N -3.86 6.96 0.61 2.29 3.84 -1.26 -4.88 114.94 118.64 1qae s ASN 66 Ca 0.36 2.02 0.27 0.00 0.21 0.00 0.00 52.86 55.72 1qae s ASN 66 Cb -0.06 -2.57 1.33 0.00 -0.55 0.00 0.00 41.25 39.41 1qae s ASN 66 CO 0.24 -0.61 1.74 1.55 -2.79 0.00 0.00 177.10 177.23 1qae h PRO 67 N 7.39 0.00 0.00 0.43 0.13 -1.91 0.18 132.00 138.22 1qae h PRO 67 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1qae h PRO 67 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1qae h PRO 67 CO 0.87 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.51 1qae h ALA 68 N 1.19 0.91 -0.27 -0.56 0.00 -2.00 -3.28 119.26 115.25 1qae h ALA 68 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1qae h ALA 68 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1qae h ALA 68 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1qae n ASP 69 N -2.33 3.20 -3.57 0.00 8.00 0.62 -4.97 116.55 117.51 1qae n ASP 69 Ca 0.05 -1.97 -0.15 0.00 0.71 0.00 0.00 54.79 53.43 1qae n ASP 69 Cb 0.44 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.31 1qae n ASP 69 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1qae s THR 70 N -1.67 0.00 0.24 -3.53 -1.32 -1.23 -4.32 115.64 103.83 1qae s THR 70 Ca 0.35 -1.79 0.02 0.00 -1.21 0.00 0.00 61.69 59.07 1qae s THR 70 Cb 0.22 -2.52 -0.03 0.00 -1.51 0.00 0.00 72.50 68.65 1qae s THR 70 CO 0.31 0.00 0.40 -0.76 -2.21 0.00 0.00 174.62 172.36 1qae s LEU 71 N -3.24 4.23 0.24 9.08 1.43 -1.26 -4.92 118.68 124.25 1qae s LEU 71 Ca 0.35 0.24 0.10 0.00 -1.03 0.00 0.00 54.13 53.78 1qae s LEU 71 Cb 0.02 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 1qae s LEU 71 CO 0.19 -0.10 -0.06 0.00 0.23 0.00 0.00 176.35 176.61 1qae s ALA 72 N -2.00 3.03 0.40 4.21 0.00 -1.26 -4.62 121.76 121.52 1qae s ALA 72 Ca 0.36 -1.64 0.17 0.00 0.00 0.00 0.00 51.96 50.86 1qae s ALA 72 Cb -0.10 -0.68 1.06 0.00 0.00 0.00 0.00 23.12 23.41 1qae s ALA 72 CO 0.31 0.32 1.81 -1.35 0.00 0.00 0.00 175.76 176.85 1qae h PRO 73 N 2.24 0.42 0.00 0.00 0.11 -1.89 0.44 132.00 133.32 1qae h PRO 73 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1qae h PRO 73 Cb 1.24 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1qae h PRO 73 CO 0.58 0.28 -0.07 0.00 -0.21 0.00 0.00 178.00 178.58 1qae h ALA 74 N 1.61 1.70 0.00 -0.75 0.00 -1.95 -2.59 119.26 117.28 1qae h ALA 74 Ca 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1qae h ALA 74 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1qae h ALA 74 CO -0.25 0.09 0.00 -0.44 0.00 0.00 0.00 179.25 178.65 1qae h ASP 75 N 0.00 0.00 -0.17 0.00 3.32 -1.10 -2.64 116.42 115.82 1qae h ASP 75 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qae h ASP 75 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1qae h ASP 75 CO 0.01 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 1qae n TYR 76 N -3.00 0.22 -1.68 4.55 4.02 -0.98 -4.15 117.16 116.14 1qae n TYR 76 Ca -0.01 -0.11 -0.44 0.00 -0.01 0.00 0.00 57.90 57.33 1qae n TYR 76 Cb 0.17 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.45 1qae n TYR 76 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1qae n THR 77 N 0.49 0.39 -0.89 -0.72 -1.04 -1.00 -1.41 114.28 110.11 1qae n THR 77 Ca 0.17 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1qae n THR 77 Cb 0.37 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 1qae n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qae n GLY 78 N 4.17 0.75 0.33 3.41 0.00 -1.26 -3.17 105.19 109.42 1qae n GLY 78 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 1qae n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qae h ALA 79 N 0.00 1.11 -0.49 4.61 0.00 -1.57 -2.31 119.26 120.61 1qae h ALA 79 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1qae h ALA 79 Cb 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1qae h ALA 79 CO 0.00 0.44 -0.04 -0.97 0.00 0.00 0.00 179.25 178.68 1qae h ASN 80 N 1.12 0.89 0.39 0.00 -0.73 -1.79 -0.70 115.58 114.76 1qae h ASN 80 Ca 0.33 -0.33 -0.14 0.00 1.87 0.00 0.00 56.30 58.04 1qae h ASN 80 Cb -0.06 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.28 1qae h ASN 80 CO -0.10 1.00 -0.58 0.00 -0.37 0.00 0.00 177.43 177.39 1qae h ALA 81 N 0.92 0.91 0.04 1.57 0.00 -1.87 -0.36 119.26 120.46 1qae h ALA 81 Ca 0.13 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1qae h ALA 81 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1qae h ALA 81 CO 0.03 0.71 -0.69 0.00 0.00 0.00 0.00 179.25 179.31 1qae h ALA 82 N 1.26 0.10 -0.04 0.00 0.00 -1.37 -3.41 119.26 115.80 1qae h ALA 82 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1qae h ALA 82 Cb 1.06 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1qae h ALA 82 CO 0.09 0.38 0.00 1.28 0.00 0.00 0.00 179.25 181.00 1qae n LEU 83 N -4.39 1.89 -3.71 0.00 4.77 -0.28 -5.00 117.00 110.28 1qae n LEU 83 Ca -0.19 -1.12 -0.25 0.00 -0.03 0.00 0.00 56.01 54.42 1qae n LEU 83 Cb 0.65 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.77 1qae n LEU 83 CO 0.32 0.39 0.11 1.17 -1.33 0.00 0.00 177.39 178.05 1qae n LYS 84 N 0.50 -6.26 -4.29 3.23 3.00 -0.15 -4.92 118.16 109.28 1qae n LYS 84 Ca 0.06 0.70 -0.26 0.00 -0.00 0.00 0.00 58.31 58.82 1qae n LYS 84 Cb 0.25 -5.59 -0.09 0.00 0.00 0.00 0.00 35.03 29.61 1qae n LYS 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1qae s VAL 85 N -3.40 3.30 0.43 3.15 -7.23 -1.25 -1.81 120.40 113.59 1qae s VAL 85 Ca 0.41 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 58.92 1qae s VAL 85 Cb -0.19 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 1qae s VAL 85 CO 0.78 -0.20 0.25 -1.81 -0.31 0.00 0.00 175.10 173.82 1qae s ASP 86 N -3.11 4.59 -0.85 4.85 1.01 0.11 -3.97 116.67 119.30 1qae s ASP 86 Ca 0.27 -1.04 -0.20 0.00 0.71 0.00 0.00 52.55 52.30 1qae s ASP 86 Cb -0.08 -0.37 0.11 0.00 1.01 0.00 0.00 42.92 43.59 1qae s ASP 86 CO 0.17 -0.64 1.08 -0.13 0.21 0.00 0.00 175.17 175.86 1qae s ARG 87 N -4.00 3.46 -0.13 8.23 0.52 -1.26 -2.00 118.95 123.78 1qae s ARG 87 Ca 0.41 -1.50 -0.22 0.00 -0.52 0.00 0.00 55.73 53.90 1qae s ARG 87 Cb 0.01 -4.74 -0.03 0.00 0.52 0.00 0.00 34.95 30.71 1qae s ARG 87 CO 0.23 -1.79 0.65 0.20 0.02 0.00 0.00 175.30 174.62 1qae s GLY 88 N 3.69 2.35 0.41 -3.53 0.00 -0.62 -4.89 107.32 104.74 1qae s GLY 88 Ca 0.30 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.72 1qae s GLY 88 CO -0.04 1.20 1.13 0.30 0.00 0.00 0.00 173.10 175.69 1qae s HIS 89 N 1.25 3.10 -0.10 1.90 3.76 -1.26 -2.09 115.29 121.85 1qae s HIS 89 Ca 0.33 1.58 -0.08 0.00 -0.15 0.00 0.00 55.06 56.74 1qae s HIS 89 Cb -0.17 -3.31 -0.03 0.00 1.11 0.00 0.00 32.58 30.18 1qae s HIS 89 CO 0.14 -1.14 -0.15 1.04 -0.85 0.00 0.00 174.74 173.78 1qae n GLN 90 N -0.03 0.32 -2.78 1.40 6.02 -0.34 -4.75 117.38 117.21 1qae n GLN 90 Ca 0.05 0.36 -0.42 0.00 -0.01 0.00 0.00 57.00 56.98 1qae n GLN 90 Cb 0.48 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.38 1qae n GLN 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qae s ALA 91 N -2.85 3.46 0.17 -1.58 0.00 -1.26 -4.98 121.76 114.71 1qae s ALA 91 Ca -0.12 0.23 -0.31 0.00 0.00 0.00 0.00 51.96 51.75 1qae s ALA 91 Cb 0.02 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1qae s ALA 91 CO 0.18 -0.62 1.46 -1.25 0.00 0.00 0.00 175.76 175.53 1qae s PRO 92 N 2.07 4.28 0.07 0.00 0.04 -1.26 -4.98 135.00 135.22 1qae s PRO 92 Ca 0.44 2.23 -0.32 0.00 0.04 0.00 0.00 61.00 63.38 1qae s PRO 92 Cb -0.17 -3.18 -0.18 0.00 0.04 0.00 0.00 34.50 31.01 1qae s PRO 92 CO 0.15 -0.48 1.63 1.25 0.04 0.00 0.00 177.00 179.59 1qae h LEU 93 N 6.31 -0.75 -1.75 -3.56 5.85 -1.94 -3.05 115.31 116.42 1qae h LEU 93 Ca -0.43 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1qae h LEU 93 Cb 1.21 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 1qae h LEU 93 CO 0.86 -0.51 0.02 0.00 -0.34 0.00 0.00 178.44 178.46 1qae h ALA 94 N -0.44 1.81 0.00 1.25 0.00 -1.94 0.32 119.26 120.25 1qae h ALA 94 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qae h ALA 94 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1qae h ALA 94 CO 0.11 0.16 0.00 0.77 0.00 0.00 0.00 179.25 180.29 1qae h SER 95 N 0.17 0.00 0.00 0.00 0.02 -1.82 -0.47 113.55 111.46 1qae h SER 95 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1qae h SER 95 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1qae h SER 95 CO -0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1qae n LEU 96 N -2.96 0.42 0.00 5.07 4.77 -0.98 -2.15 117.00 121.17 1qae n LEU 96 Ca 0.04 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1qae n LEU 96 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1qae n LEU 96 CO 0.32 0.10 0.28 0.00 -1.33 0.00 0.00 177.39 176.76 1qae n ALA 97 N -0.21 1.16 1.25 -1.18 0.00 0.11 -1.68 120.51 119.96 1qae n ALA 97 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1qae n ALA 97 Cb 0.06 -0.84 0.40 0.00 0.00 0.00 0.00 19.45 19.07 1qae n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qae n GLY 98 N -1.04 -0.69 3.84 0.00 0.00 0.31 -4.76 105.19 102.86 1qae n GLY 98 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1qae n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qae s VAL 99 N -2.53 4.36 0.33 1.61 -7.23 -0.67 -4.86 120.40 111.41 1qae s VAL 99 Ca 0.24 0.84 0.03 0.00 -1.81 0.00 0.00 61.98 61.27 1qae s VAL 99 Cb 0.19 -3.64 0.28 0.00 0.56 0.00 0.00 36.38 33.77 1qae s VAL 99 CO 0.53 -0.94 1.95 0.77 -0.31 0.00 0.00 175.10 177.10 1qae h SER 100 N -0.26 0.79 -0.87 4.85 4.64 -1.91 -2.42 113.55 118.37 1qae h SER 100 Ca -0.44 -0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.32 1qae h SER 100 Cb 1.20 -0.17 -0.29 0.00 -0.31 0.00 0.00 62.40 62.82 1qae h SER 100 CO 0.60 0.53 0.42 -0.90 -0.87 0.00 0.00 176.83 176.60 1qae n ASP 101 N -4.47 5.66 -0.14 4.97 5.68 -1.26 -4.75 116.55 122.25 1qae n ASP 101 Ca 0.11 -3.75 0.28 0.00 -0.50 0.00 0.00 54.79 50.93 1qae n ASP 101 Cb 0.16 -0.80 0.72 0.00 -1.14 0.00 0.00 41.12 40.07 1qae n ASP 101 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 1qae h TRP 102 N 1.67 0.00 -0.25 2.11 5.08 -1.73 -1.19 115.95 121.65 1qae h TRP 102 Ca 0.52 0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.56 1qae h TRP 102 Cb 1.50 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.65 1qae h TRP 102 CO 1.32 0.00 0.18 0.93 -1.28 0.00 0.00 178.44 179.59 1qae h GLU 103 N 0.00 0.02 0.00 0.12 5.08 -1.87 -0.71 114.58 117.22 1qae h GLU 103 Ca 0.40 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1qae h GLU 103 Cb 1.67 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 1qae h GLU 103 CO -0.00 0.01 0.00 -1.13 -1.00 0.00 0.00 179.01 176.89 1qae n SER 104 N -4.47 0.52 0.28 1.42 3.41 -0.45 -1.36 113.62 112.98 1qae n SER 104 Ca 0.03 0.70 0.18 0.00 -0.26 0.00 0.00 58.87 59.51 1qae n SER 104 Cb 0.32 -0.78 0.72 0.00 -0.26 0.00 0.00 64.21 64.21 1qae n SER 104 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1qae h LEU 105 N 0.00 0.00 -2.95 1.04 3.38 -1.32 -2.31 115.31 113.15 1qae h LEU 105 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qae h LEU 105 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1qae h LEU 105 CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1qae n ASN 106 N -3.05 3.84 -4.76 -0.43 3.02 -0.46 -4.83 115.26 108.58 1qae n ASN 106 Ca 0.00 -2.22 -0.39 0.00 -0.03 0.00 0.00 54.58 51.94 1qae n ASN 106 Cb 0.28 -0.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 1qae n ASN 106 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qae s TYR 107 N -1.41 3.69 -0.70 3.10 2.02 -0.87 -2.58 117.35 120.60 1qae s TYR 107 Ca 0.40 1.78 0.11 0.00 -0.37 0.00 0.00 57.07 58.99 1qae s TYR 107 Cb 0.24 -3.12 0.54 0.00 -0.40 0.00 0.00 41.96 39.22 1qae s TYR 107 CO 0.23 -0.13 1.33 1.28 -1.57 0.00 0.00 175.55 176.69 1qae n LEU 108 N 1.05 0.24 0.25 -1.29 4.32 0.14 -1.11 117.00 120.60 1qae n LEU 108 Ca -0.00 0.60 0.13 0.00 -0.02 0.00 0.00 56.01 56.72 1qae n LEU 108 Cb 0.47 -0.61 0.59 0.00 -1.62 0.00 0.00 43.42 42.24 1qae n LEU 108 CO 0.50 -0.62 0.90 0.77 -1.22 0.00 0.00 177.39 177.72 1qae h SER 109 N 0.00 0.00 -0.63 -1.43 4.64 -1.88 -2.15 113.55 112.10 1qae h SER 109 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qae h SER 109 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1qae h SER 109 CO 0.00 0.12 0.00 -3.20 -0.87 0.00 0.00 176.83 172.88 1qae n ASN 110 N -3.30 4.74 -4.27 4.97 5.15 -0.27 -3.97 115.26 118.32 1qae n ASN 110 Ca 0.00 -2.47 -0.20 0.00 -0.60 0.00 0.00 54.58 51.31 1qae n ASN 110 Cb 0.35 -0.57 -0.11 0.00 -0.53 0.00 0.00 39.78 38.92 1qae n ASN 110 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1qae s ILE 111 N -1.88 1.50 0.07 -1.44 -1.09 -0.81 -1.20 121.20 116.35 1qae s ILE 111 Ca 0.51 -1.70 -0.12 0.00 -2.23 0.00 0.00 60.65 57.10 1qae s ILE 111 Cb 0.33 -1.57 0.01 0.00 -1.58 0.00 0.00 42.46 39.65 1qae s ILE 111 CO 0.24 -0.31 0.27 0.42 -1.23 0.00 0.00 174.94 174.33 1qae s THR 112 N -1.86 0.10 -0.80 2.92 -4.23 -0.89 -4.80 115.64 106.08 1qae s THR 112 Ca 0.09 -0.82 -0.25 0.00 -1.18 0.00 0.00 61.69 59.53 1qae s THR 112 Cb -0.06 -1.07 -0.01 0.00 1.34 0.00 0.00 72.50 72.70 1qae s THR 112 CO 0.04 -0.45 1.71 -2.84 -0.54 0.00 0.00 174.62 172.54 1qae s PRO 113 N -3.05 2.87 -0.20 3.99 0.02 -1.26 -1.58 135.00 135.79 1qae s PRO 113 Ca -0.01 -0.13 -0.08 0.00 0.02 0.00 0.00 61.00 60.80 1qae s PRO 113 Cb 0.01 -4.73 -0.04 0.00 0.02 0.00 0.00 34.50 29.76 1qae s PRO 113 CO -0.07 -2.74 0.08 -1.14 -0.33 0.00 0.00 177.00 172.80 1qae s GLN 114 N 6.44 3.93 0.09 5.54 0.74 -0.85 -4.73 119.66 130.82 1qae s GLN 114 Ca 0.59 -0.36 -0.37 0.00 0.05 0.00 0.00 55.36 55.27 1qae s GLN 114 Cb -0.08 -3.28 -0.17 0.00 1.10 0.00 0.00 33.01 30.58 1qae s GLN 114 CO 0.08 0.16 1.26 1.63 -0.55 0.00 0.00 175.29 177.87 1qae n LYS 115 N 3.89 0.97 -0.34 1.67 4.76 -1.26 0.09 118.16 127.94 1qae n LYS 115 Ca -0.16 0.35 0.11 0.00 -2.87 0.00 0.00 58.31 55.73 1qae n LYS 115 Cb 0.52 -1.94 0.31 0.00 -1.84 0.00 0.00 35.03 32.08 1qae n LYS 115 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1qae h SER 116 N 4.11 0.81 0.37 4.39 0.02 -1.65 -0.23 113.55 121.38 1qae h SER 116 Ca -0.47 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.49 1qae h SER 116 Cb 1.35 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1qae h SER 116 CO 0.74 0.37 -0.25 0.44 -1.14 0.00 0.00 176.83 176.99 1qae h ASP 117 N 0.83 0.00 0.00 3.07 3.32 -1.88 -0.39 116.42 121.38 1qae h ASP 117 Ca 0.52 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.51 1qae h ASP 117 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1qae h ASP 117 CO -0.29 0.25 -0.36 0.25 -1.72 0.00 0.00 179.24 177.37 1qae h LEU 118 N 0.00 0.00 -0.57 1.55 5.85 -1.36 -2.36 115.31 118.42 1qae h LEU 118 Ca -0.00 -0.78 0.10 0.00 0.84 0.00 0.00 57.88 58.03 1qae h LEU 118 Cb 0.51 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 1qae h LEU 118 CO 0.03 1.10 0.13 -1.13 -0.34 0.00 0.00 178.44 178.24 1qae h ASN 119 N -1.00 0.04 -0.14 1.25 -1.24 -1.01 -1.35 115.58 112.12 1qae h ASN 119 Ca -0.10 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1qae h ASN 119 Cb 1.02 0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.20 1qae h ASN 119 CO -0.06 0.03 0.00 0.00 -1.29 0.00 0.00 177.43 176.12 1qae n GLN 120 N -5.10 1.98 0.00 6.67 6.02 -0.16 -3.30 117.38 123.48 1qae n GLN 120 Ca 0.08 -1.45 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 1qae n GLN 120 Cb 0.29 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1qae n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qae n GLY 121 N 1.26 1.06 0.38 1.08 0.00 -0.54 -4.75 105.19 103.67 1qae n GLY 121 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1qae n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qae h ALA 122 N -0.57 1.95 -0.67 4.61 0.00 -1.71 -1.38 119.26 121.50 1qae h ALA 122 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1qae h ALA 122 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1qae h ALA 122 CO 0.00 -0.19 0.15 2.35 0.00 0.00 0.00 179.25 181.55 1qae h TRP 123 N 0.59 1.13 -0.17 0.00 2.91 -1.73 -1.49 115.95 117.19 1qae h TRP 123 Ca 0.43 -0.14 -0.16 0.00 1.13 0.00 0.00 58.89 60.16 1qae h TRP 123 Cb 0.82 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 29.14 1qae h TRP 123 CO -0.00 0.94 -0.55 0.00 -1.03 0.00 0.00 178.44 177.80 1qae h ALA 124 N 1.06 0.74 -0.08 2.65 0.00 -1.27 -2.16 119.26 120.20 1qae h ALA 124 Ca 0.21 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1qae h ALA 124 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1qae h ALA 124 CO 0.01 0.69 -0.45 0.00 0.00 0.00 0.00 179.25 179.50 1qae h ARG 125 N 0.38 0.18 -0.20 0.00 3.08 -1.16 -0.88 114.38 115.78 1qae h ARG 125 Ca 0.01 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 1qae h ARG 125 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 1qae h ARG 125 CO 0.10 0.60 -0.29 1.25 -1.07 0.00 0.00 179.97 180.56 1qae h LEU 126 N 0.15 0.60 -1.03 3.04 5.85 -1.15 -2.20 115.31 120.57 1qae h LEU 126 Ca 0.01 -0.52 0.06 0.00 0.84 0.00 0.00 57.88 58.28 1qae h LEU 126 Cb 0.85 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 1qae h LEU 126 CO 0.07 1.00 0.64 -0.33 -0.34 0.00 0.00 178.44 179.48 1qae h GLU 127 N 0.22 1.13 -0.45 1.25 5.08 -1.16 0.27 114.58 120.92 1qae h GLU 127 Ca 0.02 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1qae h GLU 127 Cb 0.87 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1qae h GLU 127 CO 0.07 0.75 0.18 0.22 -1.00 0.00 0.00 179.01 179.22 1qae h ASP 128 N 1.17 0.62 0.24 1.42 3.58 -0.99 -0.43 116.42 122.03 1qae h ASP 128 Ca 0.43 -0.17 -0.16 0.00 0.42 0.00 0.00 57.03 57.55 1qae h ASP 128 Cb 0.17 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1qae h ASP 128 CO -0.17 0.62 -0.62 1.56 -2.88 0.00 0.00 179.24 177.74 1qae h GLN 129 N 0.58 0.37 -0.47 0.28 1.08 -0.73 -1.49 115.11 114.73 1qae h GLN 129 Ca 0.15 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 1qae h GLN 129 Cb 0.19 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1qae h GLN 129 CO -0.01 0.88 0.20 1.49 -0.95 0.00 0.00 178.83 180.44 1qae h GLU 130 N 0.27 0.69 -0.39 1.46 4.81 -0.27 -2.45 114.58 118.71 1qae h GLU 130 Ca -0.01 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 1qae h GLU 130 Cb 1.16 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1qae h GLU 130 CO 0.11 0.61 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.68 1qae h ARG 131 N 0.62 0.77 0.00 1.92 2.43 -0.98 -2.98 114.38 116.16 1qae h ARG 131 Ca 0.16 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 1qae h ARG 131 Cb 0.16 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1qae h ARG 131 CO -0.02 0.93 -0.11 0.87 -1.51 0.00 0.00 179.97 180.13 1qae h LYS 132 N 0.67 0.00 -0.83 0.20 1.57 -0.93 -2.74 116.57 114.52 1qae h LYS 132 Ca 0.09 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1qae h LYS 132 Cb 0.74 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 1qae h LYS 132 CO 0.06 0.11 0.54 -0.07 -0.57 0.00 0.00 179.45 179.52 1qae h LEU 133 N 0.00 0.84 -0.75 2.94 3.38 -1.28 -1.28 115.31 119.16 1qae h LEU 133 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qae h LEU 133 Cb 0.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1qae h LEU 133 CO 0.01 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1qae n ILE 134 N -4.47 1.00 0.39 1.22 0.13 -1.03 -1.71 119.36 114.90 1qae n ILE 134 Ca 0.12 0.39 0.13 0.00 -1.10 0.00 0.00 62.75 62.29 1qae n ILE 134 Cb 0.16 -1.32 0.34 0.00 -0.84 0.00 0.00 39.64 37.97 1qae n ILE 134 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 1qae h ASP 135 N 0.00 0.00 -3.74 9.51 3.32 -1.39 -3.45 116.42 120.67 1qae h ASP 135 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1qae h ASP 135 Cb 0.22 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.82 1qae h ASP 135 CO 0.00 0.00 0.61 -0.13 -1.72 0.00 0.00 179.24 178.00 1qae s ARG 136 N -3.23 4.42 0.24 3.56 0.52 -0.69 -4.93 118.95 118.84 1qae s ARG 136 Ca 0.08 2.10 -0.07 0.00 -0.52 0.00 0.00 55.73 57.32 1qae s ARG 136 Cb 0.08 -3.12 0.24 0.00 0.52 0.00 0.00 34.95 32.67 1qae s ARG 136 CO 0.61 -0.12 1.90 0.00 0.02 0.00 0.00 175.30 177.71 1qae h ALA 137 N 3.94 1.22 -0.03 2.13 0.00 -1.89 -2.70 119.26 121.94 1qae h ALA 137 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1qae h ALA 137 Cb 1.22 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1qae h ALA 137 CO 0.69 0.64 0.00 -0.40 0.00 0.00 0.00 179.25 180.18 1qae n ASP 138 N -4.38 0.72 -4.31 0.00 5.68 -1.26 -4.72 116.55 108.28 1qae n ASP 138 Ca 0.11 -1.33 -0.37 0.00 -0.50 0.00 0.00 54.79 52.70 1qae n ASP 138 Cb 0.04 -0.02 -0.13 0.00 -1.14 0.00 0.00 41.12 39.87 1qae n ASP 138 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1qae s ILE 139 N -1.97 3.78 -0.06 2.12 1.01 -1.02 -4.95 121.20 120.11 1qae s ILE 139 Ca 0.39 -0.83 0.21 0.00 0.00 0.00 0.00 60.65 60.42 1qae s ILE 139 Cb 0.19 -2.99 -0.32 0.00 0.01 0.00 0.00 42.46 39.36 1qae s ILE 139 CO 0.32 0.04 0.39 -1.54 0.00 0.00 0.00 174.94 174.15 1qae n SER 140 N 4.83 0.09 -3.82 3.58 3.41 -1.26 -4.68 113.62 115.76 1qae n SER 140 Ca -0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.35 1qae n SER 140 Cb 0.47 1.79 -0.09 0.00 -0.26 0.00 0.00 64.21 66.12 1qae n SER 140 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1qae s SER 141 N -4.66 -0.06 -0.13 4.04 0.01 -1.26 -4.38 113.70 107.26 1qae s SER 141 Ca -0.08 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 1qae s SER 141 Cb 0.12 0.25 0.03 0.00 0.21 0.00 0.00 66.02 66.64 1qae s SER 141 CO 0.88 -0.42 -0.06 -0.69 0.41 0.00 0.00 173.24 173.36 1qae s VAL 142 N -1.48 0.95 -0.22 3.43 1.01 -0.52 -0.16 120.40 123.41 1qae s VAL 142 Ca -0.13 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1qae s VAL 142 Cb -0.06 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1qae s VAL 142 CO 0.02 0.26 0.00 -0.31 0.00 0.00 0.00 175.10 175.08 1qae s TYR 143 N 1.72 3.02 0.06 5.22 2.02 -0.16 -0.65 117.35 128.58 1qae s TYR 143 Ca 0.04 -0.64 0.07 0.00 -0.37 0.00 0.00 57.07 56.16 1qae s TYR 143 Cb -0.13 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.26 1qae s TYR 143 CO -0.08 -0.40 -0.19 0.99 -1.57 0.00 0.00 175.55 174.30 1qae s THR 144 N 1.37 1.55 -0.06 -0.71 2.01 -0.47 -1.93 115.64 117.39 1qae s THR 144 Ca 0.05 -1.26 0.02 0.00 0.31 0.00 0.00 61.69 60.81 1qae s THR 144 Cb -0.15 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.00 1qae s THR 144 CO 0.00 0.07 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.20 1qae s VAL 145 N -0.93 1.12 0.04 3.82 1.01 -0.10 -0.88 120.40 124.47 1qae s VAL 145 Ca 0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1qae s VAL 145 Cb -0.09 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1qae s VAL 145 CO 0.02 0.35 -0.03 0.28 0.00 0.00 0.00 175.10 175.72 1qae s THR 146 N 0.62 0.19 0.01 3.92 -1.32 -0.25 -0.09 115.64 118.71 1qae s THR 146 Ca -0.13 -1.47 -0.28 0.00 -1.21 0.00 0.00 61.69 58.59 1qae s THR 146 Cb -0.15 -1.04 0.10 0.00 -1.51 0.00 0.00 72.50 69.90 1qae s THR 146 CO 0.03 -0.80 1.26 -0.83 -2.21 0.00 0.00 174.62 172.07 1qae s GLY 147 N -2.36 -0.21 0.46 6.08 0.00 -1.03 -0.17 107.32 110.10 1qae s GLY 147 Ca -0.02 0.23 0.07 0.00 0.00 0.00 0.00 44.72 45.00 1qae s GLY 147 CO -0.06 3.22 0.63 2.56 0.00 0.00 0.00 173.10 179.45 1qae s PRO 148 N -2.20 2.71 0.10 2.90 0.04 -1.26 -1.32 135.00 135.98 1qae s PRO 148 Ca 0.23 -1.18 0.09 0.00 0.04 0.00 0.00 61.00 60.17 1qae s PRO 148 Cb 0.01 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1qae s PRO 148 CO -0.01 -0.42 -0.23 -0.51 0.04 0.00 0.00 177.00 175.87 1qae s LEU 149 N -4.47 2.28 -0.55 -3.56 1.43 0.11 -4.88 118.68 109.03 1qae s LEU 149 Ca 0.56 -0.68 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1qae s LEU 149 Cb -0.10 -1.01 0.17 0.00 0.03 0.00 0.00 46.19 45.29 1qae s LEU 149 CO 0.35 0.11 0.43 -1.22 0.23 0.00 0.00 176.35 176.25 1qae n TYR 150 N 1.16 1.12 0.47 0.29 4.01 -1.26 -0.74 117.16 122.21 1qae n TYR 150 Ca -0.19 -3.80 0.05 0.00 -0.16 0.00 0.00 57.90 53.81 1qae n TYR 150 Cb 0.53 -0.18 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 1qae n TYR 150 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1qae n GLU 151 N 2.34 2.48 -3.52 -0.72 1.02 -1.26 -4.98 120.64 116.00 1qae n GLU 151 Ca 0.25 -0.46 -0.18 0.00 -0.02 0.00 0.00 57.16 56.75 1qae n GLU 151 Cb 0.42 -1.07 -0.06 0.00 -0.02 0.00 0.00 31.44 30.71 1qae n GLU 151 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1qae s ARG 152 N -1.54 1.06 0.12 3.49 1.70 -1.26 -5.11 118.95 117.40 1qae s ARG 152 Ca 0.07 0.27 -0.31 0.00 -0.47 0.00 0.00 55.73 55.29 1qae s ARG 152 Cb 0.08 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.86 1qae s ARG 152 CO 0.30 -0.33 1.75 0.34 -1.08 0.00 0.00 175.30 176.28 1qae s ASP 153 N -1.17 6.49 0.00 -2.89 -1.08 -1.26 -4.65 116.67 112.10 1qae s ASP 153 Ca -0.11 2.67 0.09 0.00 -0.52 0.00 0.00 52.55 54.69 1qae s ASP 153 Cb -0.00 -2.57 0.19 0.00 -1.46 0.00 0.00 42.92 39.08 1qae s ASP 153 CO 0.10 -0.95 1.06 0.23 0.52 0.00 0.00 175.17 176.12 1qae n MET 154 N 5.42 1.89 0.00 4.34 2.81 -1.26 -5.10 117.12 125.22 1qae n MET 154 Ca 0.17 -1.62 0.00 0.00 -1.81 0.00 0.00 57.70 54.43 1qae n MET 154 Cb 0.39 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 1qae n MET 154 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qae n GLY 155 N 0.44 -1.83 3.11 3.03 0.00 -1.26 -4.98 105.19 103.69 1qae n GLY 155 Ca 0.08 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 1qae n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qae s LYS 156 N 0.00 0.65 0.18 1.61 -0.14 -1.26 -4.45 119.74 116.34 1qae s LYS 156 Ca 0.00 -0.89 -0.32 0.00 -1.36 0.00 0.00 55.97 53.40 1qae s LYS 156 Cb 0.00 -0.44 -0.11 0.00 -1.68 0.00 0.00 37.83 35.60 1qae s LYS 156 CO 0.00 0.08 1.64 -0.51 -0.76 0.00 0.00 175.35 175.80 1qae s LEU 157 N -1.81 4.37 0.41 3.17 1.43 -1.26 -4.90 118.68 120.08 1qae s LEU 157 Ca -0.05 2.73 0.19 0.00 -1.03 0.00 0.00 54.13 55.97 1qae s LEU 157 Cb -0.08 -3.60 0.87 0.00 0.03 0.00 0.00 46.19 43.41 1qae s LEU 157 CO 0.00 -0.89 1.83 1.55 0.23 0.00 0.00 176.35 179.08 1qae h PRO 158 N 6.81 0.00 -0.81 1.29 0.13 -1.86 -3.30 132.00 134.26 1qae h PRO 158 Ca -0.43 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 1qae h PRO 158 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1qae h PRO 158 CO 0.93 0.31 0.13 0.41 -0.23 0.00 0.00 178.00 179.56 1qae n GLY 159 N -0.14 2.85 3.20 1.56 0.00 -1.19 -4.93 105.19 106.54 1qae n GLY 159 Ca -0.01 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1qae n GLY 159 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qae s THR 160 N -2.18 0.08 -1.48 2.61 -1.32 -1.24 -4.37 115.64 107.72 1qae s THR 160 Ca 0.37 -0.67 0.18 0.00 -1.21 0.00 0.00 61.69 60.36 1qae s THR 160 Cb 0.29 -0.71 -0.04 0.00 -1.51 0.00 0.00 72.50 70.54 1qae s THR 160 CO 0.10 -0.37 0.89 0.00 -2.21 0.00 0.00 174.62 173.02 1qae n GLN 161 N 1.04 1.52 -2.02 7.08 6.02 -1.26 -4.91 117.38 124.85 1qae n GLN 161 Ca -0.21 -0.71 -0.40 0.00 -0.01 0.00 0.00 57.00 55.68 1qae n GLN 161 Cb 0.57 -1.33 -0.01 0.00 1.02 0.00 0.00 30.24 30.50 1qae n GLN 161 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1qae s LYS 162 N -2.17 4.11 0.04 -1.09 1.02 -1.26 -4.96 119.74 115.43 1qae s LYS 162 Ca 0.13 2.26 -0.30 0.00 0.02 0.00 0.00 55.97 58.08 1qae s LYS 162 Cb 0.14 -2.89 -0.05 0.00 -0.52 0.00 0.00 37.83 34.51 1qae s LYS 162 CO 0.50 -0.41 1.11 0.00 -0.92 0.00 0.00 175.35 175.63 1qae s ALA 163 N -1.19 3.30 0.21 5.17 0.00 -1.26 -5.00 121.76 122.99 1qae s ALA 163 Ca 0.54 0.73 -0.15 0.00 0.00 0.00 0.00 51.96 53.07 1qae s ALA 163 Cb -0.40 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.32 1qae s ALA 163 CO 0.53 -0.36 0.49 -3.38 0.00 0.00 0.00 175.76 173.04 1qae s HIS 164 N 1.05 0.10 -0.14 0.00 -0.00 -1.26 -4.69 115.29 110.34 1qae s HIS 164 Ca 0.56 -0.46 -0.02 0.00 -0.00 0.00 0.00 55.06 55.14 1qae s HIS 164 Cb -0.26 0.29 0.05 0.00 -0.00 0.00 0.00 32.58 32.65 1qae s HIS 164 CO 0.29 -0.94 0.02 0.99 -0.00 0.00 0.00 174.74 175.10 1qae s THR 165 N -3.94 0.49 0.12 -5.38 2.01 -0.99 -4.98 115.64 102.98 1qae s THR 165 Ca 0.15 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 1qae s THR 165 Cb -0.01 -0.85 -0.07 0.00 0.01 0.00 0.00 72.50 71.59 1qae s THR 165 CO 0.02 -0.01 1.20 -0.63 -0.69 0.00 0.00 174.62 174.51 1qae s ILE 166 N 1.89 3.83 0.79 1.82 1.01 -1.26 -4.88 121.20 124.40 1qae s ILE 166 Ca 0.02 1.40 -0.13 0.00 0.00 0.00 0.00 60.65 61.93 1qae s ILE 166 Cb -0.15 -3.90 0.08 0.00 0.01 0.00 0.00 42.46 38.50 1qae s ILE 166 CO -0.07 0.16 1.20 -2.84 0.00 0.00 0.00 174.94 173.39 1qae s PRO 167 N 0.50 1.72 -0.01 2.79 0.02 -1.26 -4.49 135.00 134.27 1qae s PRO 167 Ca 0.56 1.74 0.15 0.00 0.02 0.00 0.00 61.00 63.46 1qae s PRO 167 Cb -0.31 -1.79 -0.21 0.00 0.02 0.00 0.00 34.50 32.22 1qae s PRO 167 CO 0.32 -2.14 0.41 -1.13 -0.33 0.00 0.00 177.00 174.12 1qae n SER 168 N -3.23 1.36 -3.78 2.53 3.41 0.08 -4.88 113.62 109.12 1qae n SER 168 Ca 0.13 -0.25 -0.08 0.00 -0.26 0.00 0.00 58.87 58.41 1qae n SER 168 Cb 0.51 1.47 -0.02 0.00 -0.26 0.00 0.00 64.21 65.90 1qae n SER 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qae s ALA 169 N -2.81 -1.25 0.01 7.33 0.00 -1.22 -0.83 121.76 123.00 1qae s ALA 169 Ca -0.02 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1qae s ALA 169 Cb 0.10 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 1qae s ALA 169 CO 0.60 -0.98 -0.05 0.71 0.00 0.00 0.00 175.76 176.05 1qae s TYR 170 N -3.89 0.42 0.21 0.00 2.02 0.20 -0.72 117.35 115.59 1qae s TYR 170 Ca 0.10 -0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.62 1qae s TYR 170 Cb -0.05 -0.26 -0.05 0.00 -0.40 0.00 0.00 41.96 41.20 1qae s TYR 170 CO 0.03 -0.05 -0.09 1.67 -1.57 0.00 0.00 175.55 175.54 1qae s TRP 171 N -0.61 1.65 -0.14 2.71 1.48 -0.43 -0.20 118.94 123.39 1qae s TRP 171 Ca -0.04 -0.70 -0.07 0.00 -1.06 0.00 0.00 56.10 54.24 1qae s TRP 171 Cb -0.05 -0.85 0.06 0.00 -1.16 0.00 0.00 33.47 31.47 1qae s TRP 171 CO -0.00 0.22 0.32 0.21 -4.06 0.00 0.00 176.95 173.64 1qae s LYS 172 N -3.72 0.28 -0.16 3.25 2.20 -0.54 -2.46 119.74 118.59 1qae s LYS 172 Ca 0.24 0.68 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 1qae s LYS 172 Cb 0.02 -0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1qae s LYS 172 CO 0.07 -0.18 -0.16 0.08 -0.36 0.00 0.00 175.35 174.80 1qae s VAL 173 N 1.50 2.56 0.05 4.02 1.01 0.87 -0.76 120.40 129.65 1qae s VAL 173 Ca -0.08 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1qae s VAL 173 Cb -0.10 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1qae s VAL 173 CO -0.10 0.52 -0.15 -0.63 0.00 0.00 0.00 175.10 174.73 1qae s ILE 174 N 0.86 1.20 -0.01 2.22 1.01 0.82 -0.92 121.20 126.38 1qae s ILE 174 Ca -0.05 -1.15 -0.19 0.00 0.00 0.00 0.00 60.65 59.27 1qae s ILE 174 Cb -0.15 -1.10 0.03 0.00 0.01 0.00 0.00 42.46 41.25 1qae s ILE 174 CO -0.01 -0.05 0.40 0.72 0.00 0.00 0.00 174.94 176.00 1qae s PHE 175 N -1.00 -0.29 0.15 3.97 -0.12 -0.81 0.37 117.98 120.25 1qae s PHE 175 Ca 0.01 0.43 0.05 0.00 -0.05 0.00 0.00 56.93 57.38 1qae s PHE 175 Cb -0.09 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 1qae s PHE 175 CO 0.02 -0.47 0.11 0.96 -0.05 0.00 0.00 175.22 175.79 1qae s ILE 176 N -1.51 4.38 0.00 -4.49 -4.36 -1.03 -0.99 121.20 113.21 1qae s ILE 176 Ca -0.12 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.19 1qae s ILE 176 Cb -0.03 -3.21 0.00 0.00 1.25 0.00 0.00 42.46 40.46 1qae s ILE 176 CO 0.04 -0.08 0.00 0.59 0.24 0.00 0.00 174.94 175.74 1qae n ASN 177 N -0.20 0.00 -0.10 4.36 3.02 0.77 -4.13 115.26 118.98 1qae n ASN 177 Ca -0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.32 1qae n ASN 177 Cb 0.54 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.66 1qae n ASN 177 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1qae n ASN 178 N 7.68 1.92 -3.58 6.41 3.02 -1.26 -4.69 115.26 124.76 1qae n ASN 178 Ca 0.00 0.39 -0.12 0.00 -0.03 0.00 0.00 54.58 54.83 1qae n ASN 178 Cb 0.00 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 38.31 1qae n ASN 178 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qae s SER 179 N -6.36 -0.44 0.23 6.41 0.15 -1.26 -4.78 113.70 107.65 1qae s SER 179 Ca -0.29 0.56 0.17 0.00 0.70 0.00 0.00 55.95 57.09 1qae s SER 179 Cb 0.07 0.47 0.87 0.00 -1.71 0.00 0.00 66.02 65.71 1qae s SER 179 CO 0.42 -0.35 1.53 -0.81 1.20 0.00 0.00 173.24 175.23 1qae n PRO 180 N 1.06 0.11 0.26 5.44 -0.04 -1.26 -0.26 135.00 140.31 1qae n PRO 180 Ca -0.12 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 1qae n PRO 180 Cb 0.57 -1.83 0.69 0.00 -0.04 0.00 0.00 33.50 32.90 1qae n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qae h ALA 181 N 2.08 1.33 0.00 0.55 0.00 -1.96 -3.32 119.26 117.92 1qae h ALA 181 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qae h ALA 181 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1qae h ALA 181 CO 0.00 0.17 -0.05 1.33 0.00 0.00 0.00 179.25 180.70 1qae n VAL 182 N -3.72 0.00 -4.29 0.00 0.24 -0.48 -5.11 118.33 104.97 1qae n VAL 182 Ca -0.02 -0.10 -0.24 0.00 -2.04 0.00 0.00 64.34 61.94 1qae n VAL 182 Cb 0.25 0.83 -0.08 0.00 -1.47 0.00 0.00 33.84 33.37 1qae n VAL 182 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1qae s ASN 183 N -0.30 4.49 0.48 -1.34 -0.87 0.64 -5.01 114.94 113.03 1qae s ASN 183 Ca 0.00 -0.62 -0.24 0.00 -1.57 0.00 0.00 52.86 50.43 1qae s ASN 183 Cb 0.00 -0.82 -0.07 0.00 -0.02 0.00 0.00 41.25 40.33 1qae s ASN 183 CO 0.00 0.03 1.33 1.41 -2.57 0.00 0.00 177.10 177.29 1qae n HIS 184 N -0.66 2.26 -4.17 2.20 8.25 -1.26 -4.43 115.22 117.41 1qae n HIS 184 Ca -0.07 0.46 -0.12 0.00 -0.26 0.00 0.00 57.72 57.72 1qae n HIS 184 Cb 0.58 -2.38 -0.09 0.00 1.12 0.00 0.00 29.99 29.22 1qae n HIS 184 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1qae s TYR 185 N -1.25 1.04 0.15 4.41 -0.85 -1.26 -2.46 117.35 117.13 1qae s TYR 185 Ca 0.66 -1.28 -0.20 0.00 -0.52 0.00 0.00 57.07 55.73 1qae s TYR 185 Cb -0.45 -0.43 0.06 0.00 0.38 0.00 0.00 41.96 41.51 1qae s TYR 185 CO 0.54 -0.71 0.52 0.00 -1.52 0.00 0.00 175.55 174.38 1qae s ALA 186 N -4.11 -1.32 -0.12 9.51 0.00 0.16 -2.37 121.76 123.51 1qae s ALA 186 Ca 0.36 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 1qae s ALA 186 Cb 0.06 0.81 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1qae s ALA 186 CO 0.12 -0.72 0.31 0.00 0.00 0.00 0.00 175.76 175.47 1qae s ALA 187 N -3.77 -0.76 0.09 0.00 0.00 -1.26 -0.13 121.76 115.94 1qae s ALA 187 Ca 0.02 0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.95 1qae s ALA 187 Cb 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1qae s ALA 187 CO -0.13 -0.16 -0.10 -0.06 0.00 0.00 0.00 175.76 175.31 1qae s PHE 188 N 0.42 1.03 -0.09 0.00 0.40 0.06 -1.09 117.98 118.71 1qae s PHE 188 Ca -0.02 -0.65 -0.04 0.00 -0.60 0.00 0.00 56.93 55.62 1qae s PHE 188 Cb -0.04 -0.57 0.05 0.00 0.51 0.00 0.00 43.02 42.97 1qae s PHE 188 CO -0.02 -0.01 0.17 -1.17 0.70 0.00 0.00 175.22 174.89 1qae s LEU 189 N -2.39 -0.10 -0.07 -0.37 2.96 -0.52 -1.47 118.68 116.72 1qae s LEU 189 Ca 0.04 0.34 0.05 0.00 -0.22 0.00 0.00 54.13 54.34 1qae s LEU 189 Cb -0.03 0.31 -0.01 0.00 0.50 0.00 0.00 46.19 46.96 1qae s LEU 189 CO -0.00 -0.25 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.19 1qae s PHE 190 N 2.31 2.51 0.51 5.38 0.40 0.72 -4.79 117.98 125.01 1qae s PHE 190 Ca 0.03 -0.71 -0.17 0.00 -0.60 0.00 0.00 56.93 55.48 1qae s PHE 190 Cb -0.12 -1.64 -0.08 0.00 0.51 0.00 0.00 43.02 41.69 1qae s PHE 190 CO -0.06 -0.21 0.99 0.34 0.70 0.00 0.00 175.22 176.98 1qae s ASP 191 N -0.10 6.58 0.36 1.36 2.15 -1.26 -0.63 116.67 125.12 1qae s ASP 191 Ca -0.05 1.62 0.05 0.00 0.43 0.00 0.00 52.55 54.60 1qae s ASP 191 Cb -0.14 -2.52 0.72 0.00 -0.30 0.00 0.00 42.92 40.68 1qae s ASP 191 CO 0.04 -0.62 1.96 1.56 -0.17 0.00 0.00 175.17 177.94 1qae h GLN 192 N 1.03 0.76 -0.95 4.34 1.08 -1.34 -2.45 115.11 117.59 1qae h GLN 192 Ca -0.47 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 56.54 1qae h GLN 192 Cb 1.19 -0.17 -0.09 0.00 -0.05 0.00 0.00 27.48 28.36 1qae h GLN 192 CO 0.61 0.50 0.18 0.09 -0.95 0.00 0.00 178.83 179.26 1qae n ASN 193 N -4.48 3.19 -4.73 1.46 5.03 -1.26 -4.57 115.26 109.90 1qae n ASN 193 Ca 0.11 -2.57 -0.42 0.00 0.87 0.00 0.00 54.58 52.58 1qae n ASN 193 Cb 0.22 -0.62 -0.03 0.00 -1.02 0.00 0.00 39.78 38.34 1qae n ASN 193 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1qae s THR 194 N -1.45 2.75 0.55 3.41 2.01 -0.92 -4.94 115.64 117.05 1qae s THR 194 Ca 0.23 0.60 -0.21 0.00 0.31 0.00 0.00 61.69 62.61 1qae s THR 194 Cb 0.19 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 1qae s THR 194 CO 0.05 0.08 1.26 -2.65 -0.69 0.00 0.00 174.62 172.67 1qae n PRO 195 N 2.95 1.50 -0.29 4.92 -0.02 -1.26 -4.26 135.00 138.54 1qae n PRO 195 Ca 0.09 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 1qae n PRO 195 Cb 0.40 -2.46 0.35 0.00 -0.02 0.00 0.00 33.50 31.76 1qae n PRO 195 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1qae h LYS 196 N 1.23 0.74 -0.58 -0.52 1.63 -1.93 -2.16 116.57 114.99 1qae h LYS 196 Ca -0.50 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 1qae h LYS 196 Cb 1.32 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1qae h LYS 196 CO 0.56 0.49 0.00 0.41 -3.45 0.00 0.00 179.45 177.46 1qae n GLY 197 N -1.41 1.73 3.75 5.01 0.00 -1.26 -4.12 105.19 108.89 1qae n GLY 197 Ca 0.18 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1qae n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qae n ALA 198 N 1.13 1.91 -2.63 4.61 0.00 -0.81 -4.96 120.51 119.77 1qae n ALA 198 Ca 0.19 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 1qae n ALA 198 Cb 0.51 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.54 1qae n ALA 198 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qae s ASP 199 N -0.56 6.79 0.63 0.00 2.15 -1.26 -4.30 116.67 120.13 1qae s ASP 199 Ca 0.63 0.90 0.37 0.00 0.43 0.00 0.00 52.55 54.88 1qae s ASP 199 Cb -0.45 -2.45 2.08 0.00 -0.30 0.00 0.00 42.92 41.80 1qae s ASP 199 CO 0.56 -0.62 2.27 2.19 -0.17 0.00 0.00 175.17 179.40 1qae h PHE 200 N 7.91 0.00 0.00 -5.34 -5.15 -1.93 -2.09 116.94 110.34 1qae h PHE 200 Ca -0.23 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.52 1qae h PHE 200 Cb 1.09 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.25 1qae h PHE 200 CO 0.77 0.00 -0.09 0.00 -2.00 0.00 0.00 178.31 176.99 1qae n GLN 202 N -3.81 0.39 -0.87 0.00 6.02 -0.78 -3.57 117.38 114.75 1qae n GLN 202 Ca -0.02 0.06 -0.07 0.00 -0.01 0.00 0.00 57.00 56.96 1qae n GLN 202 Cb 0.19 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.15 1qae n GLN 202 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1qae n PHE 203 N -1.25 1.31 -2.45 1.08 3.72 -0.95 -5.00 117.46 113.91 1qae n PHE 203 Ca 0.12 -1.65 -0.41 0.00 -0.05 0.00 0.00 57.45 55.46 1qae n PHE 203 Cb 0.18 -0.55 -0.04 0.00 -0.94 0.00 0.00 39.48 38.13 1qae n PHE 203 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1qae s ARG 204 N -3.27 4.58 0.18 -1.08 0.52 -1.23 -1.43 118.95 117.21 1qae s ARG 204 Ca 0.46 1.80 0.04 0.00 -0.52 0.00 0.00 55.73 57.51 1qae s ARG 204 Cb 0.42 -3.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 1qae s ARG 204 CO 0.01 0.07 0.15 1.33 0.02 0.00 0.00 175.30 176.88 1qae n VAL 205 N 1.97 0.00 -3.99 3.52 0.24 -0.25 -4.90 118.33 114.92 1qae n VAL 205 Ca 0.02 -1.30 -0.21 0.00 -2.04 0.00 0.00 64.34 60.80 1qae n VAL 205 Cb 0.45 0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 1qae n VAL 205 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1qae s THR 206 N -2.73 5.16 0.30 3.34 -4.23 -1.26 -4.19 115.64 112.03 1qae s THR 206 Ca 0.21 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 59.74 1qae s THR 206 Cb 0.01 -3.79 0.09 0.00 1.34 0.00 0.00 72.50 70.15 1qae s THR 206 CO 0.15 -0.32 1.77 0.58 -0.54 0.00 0.00 174.62 176.26 1qae h VAL 207 N 1.24 1.25 -0.84 2.29 2.07 -1.78 -2.77 116.25 117.71 1qae h VAL 207 Ca -0.51 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 65.88 1qae h VAL 207 Cb 1.23 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 1qae h VAL 207 CO 0.61 0.37 0.54 -0.78 0.02 0.00 0.00 177.57 178.33 1qae h ASP 208 N 0.39 0.89 -0.70 0.57 3.58 -1.32 -1.24 116.42 118.59 1qae h ASP 208 Ca 0.06 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1qae h ASP 208 Cb 0.59 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 1qae h ASP 208 CO 0.04 0.61 0.35 -0.08 -2.88 0.00 0.00 179.24 177.29 1qae h GLU 209 N 1.05 1.00 -0.28 0.28 4.81 -1.76 -1.50 114.58 118.19 1qae h GLU 209 Ca 0.34 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1qae h GLU 209 Cb 0.02 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1qae h GLU 209 CO -0.12 0.78 0.09 0.82 -0.73 0.00 0.00 179.01 179.85 1qae h ILE 210 N 0.98 1.20 -0.86 2.32 2.04 -1.35 -2.14 117.51 119.69 1qae h ILE 210 Ca 0.24 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1qae h ILE 210 Cb 0.10 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1qae h ILE 210 CO -0.03 0.21 0.56 -0.33 0.00 0.00 0.00 178.15 178.56 1qae h GLU 211 N 0.29 1.08 0.00 2.37 5.08 -1.05 -1.16 114.58 121.20 1qae h GLU 211 Ca 0.09 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1qae h GLU 211 Cb 0.23 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1qae h GLU 211 CO -0.00 0.72 -0.24 0.87 -1.00 0.00 0.00 179.01 179.35 1qae h LYS 212 N 1.11 0.00 -0.03 2.33 1.57 -1.07 0.81 116.57 121.31 1qae h LYS 212 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1qae h LYS 212 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1qae h LYS 212 CO -0.10 0.24 -0.14 0.54 -0.57 0.00 0.00 179.45 179.42 1qae n ARG 213 N -3.61 2.00 0.00 3.15 1.74 -0.81 -4.44 116.66 114.69 1qae n ARG 213 Ca -0.01 -1.65 0.00 0.00 -0.77 0.00 0.00 57.85 55.42 1qae n ARG 213 Cb 0.37 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1qae n ARG 213 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1qae n THR 214 N 0.94 0.00 -0.77 0.55 -2.24 -0.50 -4.78 114.28 107.47 1qae n THR 214 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1qae n THR 214 Cb 0.56 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1qae n THR 214 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qae n GLY 215 N 2.60 0.60 3.85 3.38 0.00 0.26 -5.04 105.19 110.84 1qae n GLY 215 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1qae n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qae s LEU 216 N 0.00 3.73 -0.25 0.99 1.43 -1.23 -4.64 118.68 118.71 1qae s LEU 216 Ca 0.00 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1qae s LEU 216 Cb 0.00 -2.31 0.06 0.00 0.03 0.00 0.00 46.19 43.96 1qae s LEU 216 CO 0.00 -0.21 -0.12 -0.63 0.23 0.00 0.00 176.35 175.62 1qae s ILE 217 N -2.22 2.13 0.33 -0.59 1.01 -0.39 -4.51 121.20 116.97 1qae s ILE 217 Ca 0.37 -1.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 1qae s ILE 217 Cb -0.07 -2.21 -0.07 0.00 0.01 0.00 0.00 42.46 40.11 1qae s ILE 217 CO 0.26 0.03 0.70 -0.63 0.00 0.00 0.00 174.94 175.31 1qae s ILE 218 N 1.13 4.79 -1.38 2.92 1.01 -1.26 -1.89 121.20 126.52 1qae s ILE 218 Ca -0.07 0.68 -0.05 0.00 0.00 0.00 0.00 60.65 61.21 1qae s ILE 218 Cb -0.19 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.64 1qae s ILE 218 CO -0.06 -0.30 0.86 0.79 0.00 0.00 0.00 174.94 176.23 1qae n TRP 219 N -0.71 -2.14 0.09 3.97 8.01 -1.24 -4.83 117.44 120.59 1qae n TRP 219 Ca 0.02 0.88 0.02 0.00 -1.31 0.00 0.00 57.50 57.12 1qae n TRP 219 Cb 0.53 -4.37 0.10 0.00 -2.01 0.00 0.00 31.31 25.57 1qae n TRP 219 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1qae n ALA 220 N -4.46 1.10 1.12 6.99 0.00 -1.18 -2.26 120.51 121.82 1qae n ALA 220 Ca -0.16 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1qae n ALA 220 Cb 0.62 -1.06 0.19 0.00 0.00 0.00 0.00 19.45 19.19 1qae n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qae n GLY 221 N -1.26 0.59 3.78 0.00 0.00 0.13 -4.96 105.19 103.47 1qae n GLY 221 Ca 0.00 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1qae n GLY 221 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qae s LEU 222 N -2.08 4.12 0.59 0.99 1.43 -0.96 -4.92 118.68 117.85 1qae s LEU 222 Ca 0.29 2.04 -0.19 0.00 -1.03 0.00 0.00 54.13 55.23 1qae s LEU 222 Cb 0.20 -4.20 -0.05 0.00 0.03 0.00 0.00 46.19 42.17 1qae s LEU 222 CO 0.35 -0.51 1.06 -2.65 0.23 0.00 0.00 176.35 174.83 1qae n PRO 223 N -0.12 1.05 -0.17 1.29 -0.02 -1.26 -4.76 135.00 131.02 1qae n PRO 223 Ca 0.05 0.40 -0.02 0.00 -2.02 0.00 0.00 63.50 61.92 1qae n PRO 223 Cb 0.50 -2.26 0.06 0.00 -0.02 0.00 0.00 33.50 31.78 1qae n PRO 223 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1qae h ASP 224 N 0.67 -0.31 -1.00 2.55 5.19 -1.98 -2.07 116.42 119.47 1qae h ASP 224 Ca -0.49 0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.08 1qae h ASP 224 Cb 1.35 0.26 -0.05 0.00 0.18 0.00 0.00 39.33 41.07 1qae h ASP 224 CO 0.52 -0.11 0.66 -2.24 -3.12 0.00 0.00 179.24 174.95 1qae h ASP 225 N 0.08 1.13 -0.48 6.45 2.03 -1.99 -0.85 116.42 122.78 1qae h ASP 225 Ca 0.27 -0.02 -0.07 0.00 -0.73 0.00 0.00 57.03 56.48 1qae h ASP 225 Cb 0.42 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 38.62 1qae h ASP 225 CO -0.48 0.80 0.03 0.58 -1.03 0.00 0.00 179.24 179.14 1qae h VAL 226 N 1.33 1.26 -0.33 4.15 2.07 -1.77 -2.18 116.25 120.78 1qae h VAL 226 Ca 0.38 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1qae h VAL 226 Cb -0.10 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1qae h VAL 226 CO -0.10 0.35 0.16 1.56 0.02 0.00 0.00 177.57 179.57 1qae h GLN 227 N 0.69 0.47 -0.80 1.57 4.20 -0.91 -1.28 115.11 119.06 1qae h GLN 227 Ca 0.14 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1qae h GLN 227 Cb 0.46 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1qae h GLN 227 CO 0.02 0.43 0.31 0.00 -0.67 0.00 0.00 178.83 178.91 1qae h ALA 228 N 1.02 1.03 0.00 3.87 0.00 -1.08 -2.37 119.26 121.73 1qae h ALA 228 Ca 0.11 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 1qae h ALA 228 Cb 0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1qae h ALA 228 CO -0.01 0.67 -1.29 0.66 0.00 0.00 0.00 179.25 179.28 1qae h SER 229 N 1.16 0.00 0.22 0.00 4.64 -1.31 -3.40 113.55 114.86 1qae h SER 229 Ca 0.26 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.28 1qae h SER 229 Cb 0.23 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.26 1qae h SER 229 CO -0.02 0.91 -2.05 0.18 -0.87 0.00 0.00 176.83 174.98 1qae n LEU 230 N -3.17 0.36 0.26 5.97 4.77 -0.49 -4.42 117.00 120.28 1qae n LEU 230 Ca -0.08 0.17 0.14 0.00 -0.03 0.00 0.00 56.01 56.21 1qae n LEU 230 Cb 0.96 0.32 0.71 0.00 -2.33 0.00 0.00 43.42 43.08 1qae n LEU 230 CO 0.45 0.40 0.96 0.11 -1.33 0.00 0.00 177.39 177.98 1qae h LYS 231 N 0.00 0.00 -0.69 3.23 1.57 -1.61 -2.51 116.57 116.56 1qae h LYS 231 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1qae h LYS 231 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1qae h LYS 231 CO 0.04 0.11 0.00 -1.13 -0.57 0.00 0.00 179.45 177.90 1qae n SER 232 N -3.39 4.04 -4.08 0.86 3.41 -1.26 -0.76 113.62 112.44 1qae n SER 232 Ca -0.01 -2.14 -0.32 0.00 -0.26 0.00 0.00 58.87 56.14 1qae n SER 232 Cb 0.28 -0.50 -0.16 0.00 -0.26 0.00 0.00 64.21 63.57 1qae n SER 232 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qae s LYS 233 N -1.31 2.70 0.34 4.33 2.47 -0.95 -4.99 119.74 122.34 1qae s LYS 233 Ca 0.48 -0.72 -0.29 0.00 -1.56 0.00 0.00 55.97 53.88 1qae s LYS 233 Cb 0.27 -2.38 -0.11 0.00 -1.46 0.00 0.00 37.83 34.14 1qae s LYS 233 CO 0.29 -0.22 1.52 -2.14 0.16 0.00 0.00 175.35 174.96 1qae s PRO 234 N 1.37 4.13 0.79 4.03 0.02 -1.26 -4.83 135.00 139.25 1qae s PRO 234 Ca 0.05 2.55 -0.11 0.00 0.02 0.00 0.00 61.00 63.51 1qae s PRO 234 Cb -0.13 -2.99 0.08 0.00 0.02 0.00 0.00 34.50 31.48 1qae s PRO 234 CO -0.12 -0.55 1.15 0.20 -0.33 0.00 0.00 177.00 177.35 1qae s GLY 235 N 0.08 1.62 0.00 0.52 0.00 -1.25 -5.01 107.32 103.28 1qae s GLY 235 Ca 0.56 -0.74 0.22 0.00 0.00 0.00 0.00 44.72 44.77 1qae s GLY 235 CO 0.57 -0.25 1.34 3.33 0.00 0.00 0.00 173.10 178.09 1qae n VAL 236 N -3.25 0.40 -0.28 1.40 0.24 -1.20 -4.51 118.33 111.13 1qae n VAL 236 Ca 0.08 -0.70 0.05 0.00 -2.04 0.00 0.00 64.34 61.73 1qae n VAL 236 Cb 0.61 1.08 0.27 0.00 -1.47 0.00 0.00 33.84 34.33 1qae n VAL 236 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1qae h LEU 237 N 4.33 0.85 -2.05 1.34 5.85 -1.79 -2.10 115.31 121.74 1qae h LEU 237 Ca 0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1qae h LEU 237 Cb 0.96 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1qae h LEU 237 CO 0.00 0.54 0.36 -0.65 -0.34 0.00 0.00 178.44 178.35 1qae h PRO 238 N 0.96 0.00 0.00 5.25 0.11 -1.79 0.62 132.00 137.15 1qae h PRO 238 Ca 0.38 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.45 1qae h PRO 238 Cb 0.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 1qae h PRO 238 CO -0.14 0.00 -0.16 0.93 -0.21 0.00 0.00 178.00 178.42 1qae h GLU 239 N 0.00 0.00 -0.00 1.05 3.07 -1.56 0.91 114.58 118.05 1qae h GLU 239 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1qae h GLU 239 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1qae h GLU 239 CO -0.00 0.16 -0.14 1.28 -1.40 0.00 0.00 179.01 178.91 1qae n LEU 240 N -4.08 0.25 -1.15 1.33 4.77 0.20 -3.18 117.00 115.15 1qae n LEU 240 Ca -0.02 0.21 0.09 0.00 -0.03 0.00 0.00 56.01 56.26 1qae n LEU 240 Cb 0.24 -0.32 0.27 0.00 -2.33 0.00 0.00 43.42 41.28 1qae n LEU 240 CO 0.34 0.05 0.73 0.23 -1.33 0.00 0.00 177.39 177.42 1qae n MET 241 N -1.30 3.06 -0.03 3.23 2.81 0.22 -4.95 117.12 120.16 1qae n MET 241 Ca 0.10 -2.54 0.00 0.00 -1.81 0.00 0.00 57.70 53.45 1qae n MET 241 Cb 0.31 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 1qae n MET 241 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qae n GLY 242 N 0.96 0.37 3.84 3.03 0.00 -1.07 -4.98 105.19 107.34 1qae n GLY 242 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1qae n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qae s LYS 244 N -4.66 1.50 0.00 0.00 3.01 -1.26 -4.29 119.74 114.03 1qae s LYS 244 Ca 0.58 -1.55 0.00 0.00 -1.01 0.00 0.00 55.97 53.99 1qae s LYS 244 Cb -0.12 -1.72 0.00 0.00 -1.01 0.00 0.00 37.83 34.98 1qae s LYS 244 CO 0.45 0.36 0.00 0.09 0.51 0.00 0.00 175.35 176.76