#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h57 s VAL 18 N 0.00 5.17 -0.32 3.84 1.01 0.71 -4.91 120.40 125.90 2h57 s VAL 18 Ca 0.00 1.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 2h57 s VAL 18 Cb 0.00 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2h57 s VAL 18 CO 0.00 0.32 0.21 -1.00 0.00 0.00 0.00 175.10 174.63 2h57 s HIS 19 N 0.61 3.21 0.07 5.22 0.09 -1.26 -0.09 115.29 123.14 2h57 s HIS 19 Ca 0.27 -0.25 0.10 0.00 -0.00 0.00 0.00 55.06 55.18 2h57 s HIS 19 Cb -0.15 -2.42 -0.03 0.00 -0.00 0.00 0.00 32.58 29.97 2h57 s HIS 19 CO 0.11 -0.35 -0.26 0.54 -0.00 0.00 0.00 174.74 174.78 2h57 s VAL 20 N 1.70 2.11 -0.20 -0.90 0.11 0.04 -0.33 120.40 122.93 2h57 s VAL 20 Ca 0.06 -1.48 -0.08 0.00 -2.93 0.00 0.00 61.98 57.55 2h57 s VAL 20 Cb -0.17 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 2h57 s VAL 20 CO 0.09 0.26 0.09 -0.76 -3.33 0.00 0.00 175.10 171.44 2h57 s LEU 21 N -1.49 3.88 -0.36 2.54 1.43 -0.67 -0.98 118.68 123.03 2h57 s LEU 21 Ca 0.12 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.19 2h57 s LEU 21 Cb -0.10 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.15 2h57 s LEU 21 CO 0.03 0.14 0.19 0.00 0.23 0.00 0.00 176.35 176.94 2h57 s LEU 23 N 1.55 2.56 0.00 0.00 1.43 0.11 -2.62 118.68 121.71 2h57 s LEU 23 Ca 0.02 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.05 2h57 s LEU 23 Cb -0.19 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.23 2h57 s LEU 23 CO 0.06 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.10 2h57 n GLY 24 N -0.52 2.80 3.78 -3.19 0.00 -1.26 -0.81 105.19 105.98 2h57 n GLY 24 Ca -0.06 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 2h57 n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h57 s LEU 25 N 0.00 3.15 0.62 0.99 1.43 -1.26 -4.03 118.68 119.58 2h57 s LEU 25 Ca 0.00 1.81 -0.18 0.00 -1.03 0.00 0.00 54.13 54.73 2h57 s LEU 25 Cb 0.00 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 2h57 s LEU 25 CO 0.00 -1.79 1.18 -0.90 0.23 0.00 0.00 176.35 175.08 2h57 n ASP 26 N -3.14 1.68 -0.16 2.29 5.75 -0.86 -2.47 116.55 119.63 2h57 n ASP 26 Ca 0.09 0.83 -0.02 0.00 -0.01 0.00 0.00 54.79 55.68 2h57 n ASP 26 Cb 0.53 -1.50 -0.01 0.00 -1.03 0.00 0.00 41.12 39.11 2h57 n ASP 26 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2h57 n ASN 27 N -1.42 -4.52 0.20 -1.12 5.15 -1.26 -4.89 115.26 107.40 2h57 n ASN 27 Ca 0.15 0.05 0.10 0.00 -0.60 0.00 0.00 54.58 54.28 2h57 n ASN 27 Cb 0.47 -2.20 0.13 0.00 -0.53 0.00 0.00 39.78 37.66 2h57 n ASN 27 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2h57 h SER 28 N 0.00 0.00 0.00 1.20 4.64 -1.83 -3.45 113.55 114.11 2h57 h SER 28 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2h57 h SER 28 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2h57 h SER 28 CO 0.06 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 2h57 n GLY 29 N 1.13 1.27 0.37 -0.77 0.00 -1.26 -4.37 105.19 101.56 2h57 n GLY 29 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2h57 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h57 h LYS 30 N 0.73 -0.59 -0.26 1.61 1.57 -1.92 -0.32 116.57 117.39 2h57 h LYS 30 Ca 0.00 0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 2h57 h LYS 30 Cb 0.00 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2h57 h LYS 30 CO 0.00 -0.40 -0.31 1.15 -0.57 0.00 0.00 179.45 179.33 2h57 h THR 31 N -0.62 1.28 -0.30 -0.16 2.02 -1.96 -2.02 112.91 111.15 2h57 h THR 31 Ca 0.02 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 2h57 h THR 31 Cb 0.63 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2h57 h THR 31 CO -0.18 0.44 0.18 0.74 0.37 0.00 0.00 175.52 177.08 2h57 h THR 32 N 0.47 1.10 0.54 3.16 2.02 -1.92 -1.68 112.91 116.60 2h57 h THR 32 Ca 0.06 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 2h57 h THR 32 Cb 0.77 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2h57 h THR 32 CO 0.06 0.10 -0.36 0.40 0.37 0.00 0.00 175.52 176.09 2h57 h ILE 33 N 0.39 0.26 -0.59 3.11 2.04 -0.75 -1.23 117.51 120.73 2h57 h ILE 33 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 2h57 h ILE 33 Cb 0.00 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 2h57 h ILE 33 CO -0.02 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.86 2h57 h ILE 34 N -0.87 0.99 -0.96 -0.67 1.08 -1.35 -1.74 117.51 113.99 2h57 h ILE 34 Ca -0.06 -0.22 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 2h57 h ILE 34 Cb 0.72 0.31 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 2h57 h ILE 34 CO 0.04 0.11 0.63 -1.13 -0.69 0.00 0.00 178.15 177.12 2h57 h ASN 35 N 0.63 1.06 1.31 1.72 -1.24 -1.26 -2.04 115.58 115.75 2h57 h ASN 35 Ca 0.26 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.25 2h57 h ASN 35 Cb 0.13 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.93 2h57 h ASN 35 CO -0.15 0.74 0.00 0.50 -1.29 0.00 0.00 177.43 177.23 2h57 h LYS 36 N 1.24 0.00 0.00 6.67 1.63 -0.36 -2.28 116.57 123.46 2h57 h LYS 36 Ca 0.37 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 2h57 h LYS 36 Cb -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2h57 h LYS 36 CO -0.10 0.00 0.00 1.28 -3.45 0.00 0.00 179.45 177.18 2h57 n LEU 37 N -3.01 0.53 -4.89 5.20 4.77 -0.78 -4.86 117.00 113.96 2h57 n LEU 37 Ca 0.02 0.57 -0.29 0.00 -0.03 0.00 0.00 56.01 56.27 2h57 n LEU 37 Cb 0.37 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2h57 n LEU 37 CO 0.29 -0.20 0.72 -0.54 -1.33 0.00 0.00 177.39 176.32 2h57 s LYS 38 N -3.10 2.78 0.55 3.23 1.02 -0.86 -4.62 119.74 118.73 2h57 s LYS 38 Ca 0.10 0.34 -0.19 0.00 0.02 0.00 0.00 55.97 56.24 2h57 s LYS 38 Cb 0.13 -2.06 -0.05 0.00 -0.52 0.00 0.00 37.83 35.33 2h57 s LYS 38 CO 0.52 -1.03 1.13 -2.14 -0.92 0.00 0.00 175.35 172.91 2h57 s PRO 39 N -5.32 3.31 0.31 -1.68 0.02 -1.26 -4.85 135.00 125.53 2h57 s PRO 39 Ca 0.58 1.61 0.07 0.00 0.02 0.00 0.00 61.00 63.28 2h57 s PRO 39 Cb -0.11 -2.00 0.84 0.00 0.02 0.00 0.00 34.50 33.25 2h57 s PRO 39 CO 0.50 -0.88 1.69 1.03 -0.33 0.00 0.00 177.00 179.01 2h57 h SER 40 N 1.12 0.39 1.05 2.53 0.87 -1.95 0.18 113.55 117.75 2h57 h SER 40 Ca -0.50 0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 2h57 h SER 40 Cb 1.26 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2h57 h SER 40 CO 0.57 -0.04 -0.16 -0.55 -0.53 0.00 0.00 176.83 176.12 2h57 h ASN 41 N 0.39 0.00 0.88 6.23 -1.07 -2.01 -3.01 115.58 116.99 2h57 h ASN 41 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.99 2h57 h ASN 41 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 2h57 h ASN 41 CO -0.56 0.16 -0.36 0.00 0.07 0.00 0.00 177.43 176.75 2h57 n ALA 42 N -2.18 2.88 -2.52 4.14 0.00 0.63 -4.96 120.51 118.50 2h57 n ALA 42 Ca 0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2h57 n ALA 42 Cb 0.42 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 2h57 n ALA 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2h57 s GLN 43 N -3.07 4.40 0.32 0.00 -0.21 -1.12 -4.96 119.66 115.03 2h57 s GLN 43 Ca 0.10 1.61 -0.29 0.00 0.02 0.00 0.00 55.36 56.80 2h57 s GLN 43 Cb 0.16 -3.51 -0.11 0.00 1.00 0.00 0.00 33.01 30.55 2h57 s GLN 43 CO 0.65 -0.35 1.43 0.45 -2.12 0.00 0.00 175.29 175.35 2h57 s SER 44 N 1.28 6.57 -0.10 5.90 0.15 -1.26 -4.94 113.70 121.31 2h57 s SER 44 Ca 0.55 2.82 0.13 0.00 0.70 0.00 0.00 55.95 60.15 2h57 s SER 44 Cb -0.24 -2.65 0.36 0.00 -1.71 0.00 0.00 66.02 61.78 2h57 s SER 44 CO 0.23 -0.72 1.27 0.00 1.20 0.00 0.00 173.24 175.22 2h57 n GLN 45 N 1.21 2.64 -3.17 5.44 3.00 -1.26 -4.69 117.38 120.55 2h57 n GLN 45 Ca 0.03 -2.40 -0.22 0.00 -0.01 0.00 0.00 57.00 54.40 2h57 n GLN 45 Cb 0.40 -1.51 -0.06 0.00 0.00 0.00 0.00 30.24 29.07 2h57 n GLN 45 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2h57 n ASN 46 N -0.37 -0.38 -4.59 1.08 5.15 -1.26 -5.11 115.26 109.78 2h57 n ASN 46 Ca 0.15 -2.70 -0.43 0.00 -0.60 0.00 0.00 54.58 51.00 2h57 n ASN 46 Cb 0.63 -0.30 -0.03 0.00 -0.53 0.00 0.00 39.78 39.55 2h57 n ASN 46 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2h57 s ILE 47 N -0.70 4.45 0.36 -1.44 1.01 -1.26 -5.02 121.20 118.60 2h57 s ILE 47 Ca 0.34 1.11 0.08 0.00 0.00 0.00 0.00 60.65 62.18 2h57 s ILE 47 Cb 0.15 -4.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2h57 s ILE 47 CO -0.14 -0.74 0.20 -0.76 0.00 0.00 0.00 174.94 173.50 2h57 s LEU 48 N 3.81 3.31 0.11 2.97 1.43 -1.26 -5.07 118.68 123.98 2h57 s LEU 48 Ca 0.41 -0.77 -0.35 0.00 -1.03 0.00 0.00 54.13 52.40 2h57 s LEU 48 Cb -0.10 -1.81 -0.14 0.00 0.03 0.00 0.00 46.19 44.16 2h57 s LEU 48 CO 0.24 -0.38 1.57 -2.65 0.23 0.00 0.00 176.35 175.36 2h57 n PRO 49 N -1.24 1.95 -2.11 1.29 -0.02 -1.26 -4.89 135.00 128.72 2h57 n PRO 49 Ca -0.02 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 2h57 n PRO 49 Cb 0.61 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 2h57 n PRO 49 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2h57 s THR 50 N 1.26 3.12 -0.40 3.45 2.01 -1.26 -4.98 115.64 118.84 2h57 s THR 50 Ca 0.82 0.80 -0.17 0.00 0.31 0.00 0.00 61.69 63.45 2h57 s THR 50 Cb -0.74 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.27 2h57 s THR 50 CO 0.42 0.06 0.42 -0.63 -0.69 0.00 0.00 174.62 174.20 2h57 s ILE 51 N 1.13 5.10 0.00 1.82 1.01 -1.26 -4.53 121.20 124.47 2h57 s ILE 51 Ca 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2h57 s ILE 51 Cb -0.39 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.09 2h57 s ILE 51 CO 0.30 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.51 2h57 n GLY 52 N 5.06 1.47 3.42 6.18 0.00 -1.26 -4.71 105.19 115.35 2h57 n GLY 52 Ca -0.08 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2h57 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2h57 s PHE 53 N 0.00 -0.51 0.14 1.61 -0.71 -1.26 -0.09 117.98 117.16 2h57 s PHE 53 Ca 0.00 0.37 0.07 0.00 -1.04 0.00 0.00 56.93 56.33 2h57 s PHE 53 Cb 0.00 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 2h57 s PHE 53 CO 0.00 -0.80 -0.16 -1.12 -1.34 0.00 0.00 175.22 171.80 2h57 s SER 54 N -2.55 2.30 -0.19 1.98 0.01 -0.43 -4.97 113.70 109.85 2h57 s SER 54 Ca -0.00 -0.83 -0.10 0.00 1.31 0.00 0.00 55.95 56.32 2h57 s SER 54 Cb -0.01 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.07 2h57 s SER 54 CO -0.10 -0.09 0.15 -0.63 0.41 0.00 0.00 173.24 172.97 2h57 s ILE 55 N -2.09 5.41 0.13 1.44 1.01 -1.26 -0.21 121.20 125.62 2h57 s ILE 55 Ca 0.12 0.23 0.07 0.00 0.00 0.00 0.00 60.65 61.07 2h57 s ILE 55 Cb -0.05 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 2h57 s ILE 55 CO 0.05 0.45 -0.17 -1.61 0.00 0.00 0.00 174.94 173.66 2h57 s GLU 56 N 0.22 1.13 -0.04 2.79 0.41 -0.02 -4.96 118.70 118.23 2h57 s GLU 56 Ca 0.10 -1.27 0.03 0.00 -0.41 0.00 0.00 54.97 53.41 2h57 s GLU 56 Cb -0.11 -1.16 0.00 0.00 -1.78 0.00 0.00 34.13 31.08 2h57 s GLU 56 CO -0.01 0.24 -0.13 0.15 -0.49 0.00 0.00 175.26 175.02 2h57 s LYS 57 N -2.52 1.41 0.13 1.61 1.02 -1.26 0.05 119.74 120.18 2h57 s LYS 57 Ca 0.10 -0.47 -0.07 0.00 0.02 0.00 0.00 55.97 55.56 2h57 s LYS 57 Cb -0.06 -1.26 -0.01 0.00 -0.52 0.00 0.00 37.83 35.98 2h57 s LYS 57 CO 0.05 0.18 0.20 -0.59 -0.92 0.00 0.00 175.35 174.26 2h57 s PHE 58 N 0.12 0.41 -0.04 3.18 -0.71 -0.88 -4.86 117.98 115.20 2h57 s PHE 58 Ca -0.04 -0.81 0.07 0.00 -1.04 0.00 0.00 56.93 55.11 2h57 s PHE 58 Cb -0.10 -0.15 -0.01 0.00 -1.21 0.00 0.00 43.02 41.54 2h57 s PHE 58 CO 0.01 -0.61 -0.25 0.15 -1.34 0.00 0.00 175.22 173.18 2h57 s LYS 59 N -3.95 2.31 0.00 1.99 1.02 -1.26 -0.50 119.74 119.35 2h57 s LYS 59 Ca 0.14 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.23 2h57 s LYS 59 Cb 0.05 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2h57 s LYS 59 CO -0.04 0.46 0.00 -1.13 -0.92 0.00 0.00 175.35 173.72 2h57 n SER 60 N 2.72 0.00 0.27 2.83 3.41 -0.12 -5.00 113.62 117.73 2h57 n SER 60 Ca -0.17 -0.36 -0.14 0.00 -0.26 0.00 0.00 58.87 57.94 2h57 n SER 60 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 2h57 n SER 60 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2h57 h SER 61 N 0.00 -0.93 0.27 4.04 0.02 -2.01 -3.37 113.55 111.58 2h57 h SER 61 Ca 0.00 0.06 -0.33 0.00 -0.84 0.00 0.00 61.79 60.68 2h57 h SER 61 Cb 0.00 0.29 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 2h57 h SER 61 CO 0.00 -0.51 -2.00 -1.20 -1.14 0.00 0.00 176.83 171.97 2h57 n SER 62 N -4.58 0.61 -4.76 3.07 7.64 -1.26 -5.03 113.62 109.30 2h57 n SER 62 Ca -0.10 0.23 -0.26 0.00 1.01 0.00 0.00 58.87 59.76 2h57 n SER 62 Cb 0.35 0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.80 2h57 n SER 62 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2h57 s LEU 63 N -5.90 3.64 -0.17 -3.43 1.43 -1.26 -5.11 118.68 107.88 2h57 s LEU 63 Ca -0.08 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2h57 s LEU 63 Cb 0.07 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2h57 s LEU 63 CO 0.82 0.06 -0.04 -0.55 0.23 0.00 0.00 176.35 176.87 2h57 s SER 64 N -3.18 4.70 -0.09 2.29 0.15 -1.26 -0.95 113.70 115.37 2h57 s SER 64 Ca 0.30 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.80 2h57 s SER 64 Cb -0.09 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.43 2h57 s SER 64 CO 0.22 0.14 -0.17 -0.36 1.20 0.00 0.00 173.24 174.27 2h57 s PHE 65 N 0.54 2.69 -0.20 3.44 0.40 0.35 -0.21 117.98 125.00 2h57 s PHE 65 Ca -0.03 -0.55 -0.03 0.00 -0.60 0.00 0.00 56.93 55.72 2h57 s PHE 65 Cb -0.14 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 2h57 s PHE 65 CO 0.03 -0.11 -0.08 0.99 0.70 0.00 0.00 175.22 176.75 2h57 s THR 66 N -0.07 3.17 -0.17 0.64 2.01 0.87 -2.07 115.64 120.02 2h57 s THR 66 Ca -0.04 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 2h57 s THR 66 Cb -0.14 -2.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.95 2h57 s THR 66 CO 0.04 0.46 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.62 2h57 s VAL 67 N 1.23 2.93 -0.78 3.82 1.01 0.11 -0.78 120.40 127.94 2h57 s VAL 67 Ca 0.03 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 2h57 s VAL 67 Cb -0.14 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.02 2h57 s VAL 67 CO -0.03 0.49 1.20 -0.36 0.00 0.00 0.00 175.10 176.40 2h57 s PHE 68 N 0.99 2.51 -0.71 5.22 0.40 -0.15 -0.84 117.98 125.40 2h57 s PHE 68 Ca -0.01 -0.45 -0.21 0.00 -0.60 0.00 0.00 56.93 55.66 2h57 s PHE 68 Cb -0.15 -4.51 0.09 0.00 0.51 0.00 0.00 43.02 38.96 2h57 s PHE 68 CO -0.02 -1.88 0.95 0.34 0.70 0.00 0.00 175.22 175.32 2h57 s ASP 69 N 3.93 6.29 0.31 1.36 2.15 0.70 -1.42 116.67 129.99 2h57 s ASP 69 Ca 0.33 -1.35 -0.17 0.00 0.43 0.00 0.00 52.55 51.80 2h57 s ASP 69 Cb -0.09 -2.39 -0.09 0.00 -0.30 0.00 0.00 42.92 40.05 2h57 s ASP 69 CO 0.07 -1.28 0.75 -0.04 -0.17 0.00 0.00 175.17 174.50 2h57 s MET 70 N 3.43 4.08 0.28 4.34 -1.94 -1.08 -1.31 119.30 127.10 2h57 s MET 70 Ca 0.22 0.75 -0.30 0.00 -1.71 0.00 0.00 55.69 54.66 2h57 s MET 70 Cb -0.15 -2.50 -0.11 0.00 2.01 0.00 0.00 34.83 34.08 2h57 s MET 70 CO 0.04 0.19 1.54 0.45 -0.01 0.00 0.00 175.02 177.24 2h57 s SER 71 N -2.14 6.46 0.00 3.03 0.15 0.87 -4.89 113.70 117.18 2h57 s SER 71 Ca 0.53 2.87 0.24 0.00 0.70 0.00 0.00 55.95 60.29 2h57 s SER 71 Cb -0.11 -2.63 0.52 0.00 -1.71 0.00 0.00 66.02 62.08 2h57 s SER 71 CO 0.18 -0.85 1.45 0.61 1.20 0.00 0.00 173.24 175.83 2h57 n GLY 72 N 2.12 0.80 3.77 9.45 0.00 -1.26 -4.58 105.19 115.49 2h57 n GLY 72 Ca 0.07 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 2h57 n GLY 72 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2h57 s GLN 73 N -1.88 3.89 0.35 1.61 -0.21 -1.26 -2.03 119.66 120.14 2h57 s GLN 73 Ca 0.33 2.24 0.08 0.00 0.02 0.00 0.00 55.36 58.03 2h57 s GLN 73 Cb 0.20 -2.74 0.80 0.00 1.00 0.00 0.00 33.01 32.28 2h57 s GLN 73 CO 0.31 -0.58 1.88 0.78 -2.12 0.00 0.00 175.29 175.55 2h57 h GLY 74 N 2.59 1.18 1.28 3.09 0.00 -2.00 -0.82 103.07 108.39 2h57 h GLY 74 Ca -0.50 -0.30 0.10 0.00 0.00 0.00 0.00 47.33 46.62 2h57 h GLY 74 CO 0.62 0.11 0.27 -0.09 0.00 0.00 0.00 176.54 177.45 2h57 h ARG 75 N 0.71 0.07 -0.11 4.80 2.43 -1.98 -3.11 114.38 117.19 2h57 h ARG 75 Ca 0.43 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2h57 h ARG 75 Cb 0.66 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2h57 h ARG 75 CO -0.19 0.05 0.00 0.66 -1.51 0.00 0.00 179.97 178.97 2h57 n TYR 76 N -4.44 0.15 0.20 2.20 0.53 -0.35 -4.66 117.16 110.79 2h57 n TYR 76 Ca 0.06 -0.42 0.08 0.00 -1.02 0.00 0.00 57.90 56.60 2h57 n TYR 76 Cb 0.41 -0.03 0.39 0.00 -1.03 0.00 0.00 39.34 39.08 2h57 n TYR 76 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 2h57 h ARG 77 N 0.78 0.00 -0.80 -0.72 2.43 -1.39 -2.37 114.38 112.31 2h57 h ARG 77 Ca 0.00 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.40 2h57 h ARG 77 Cb 0.52 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 2h57 h ARG 77 CO 0.00 0.30 0.57 -2.95 -1.51 0.00 0.00 179.97 176.38 2h57 h ASN 78 N 0.00 0.05 0.89 -3.80 -1.07 -1.83 -1.67 115.58 108.15 2h57 h ASN 78 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.33 2h57 h ASN 78 Cb 0.82 -0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.06 2h57 h ASN 78 CO 0.04 0.02 -0.20 -0.07 0.07 0.00 0.00 177.43 177.28 2h57 h LEU 79 N 0.05 0.00 -0.25 6.14 3.38 -1.79 -3.33 115.31 119.51 2h57 h LEU 79 Ca 0.39 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.42 2h57 h LEU 79 Cb 1.47 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.15 2h57 h LEU 79 CO -0.02 0.20 -0.23 -0.50 0.09 0.00 0.00 178.44 177.98 2h57 h TRP 80 N 0.00 -0.60 0.00 1.13 4.06 -1.46 -2.52 115.95 116.56 2h57 h TRP 80 Ca -0.00 0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.97 2h57 h TRP 80 Cb 0.70 0.30 -0.00 0.00 -1.00 0.00 0.00 29.16 29.16 2h57 h TRP 80 CO 0.00 -0.30 -0.07 1.05 -3.56 0.00 0.00 178.44 175.55 2h57 h GLU 81 N -0.23 0.00 -0.13 0.49 4.11 -1.78 -2.24 114.58 114.81 2h57 h GLU 81 Ca 0.14 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.61 2h57 h GLU 81 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2h57 h GLU 81 CO -0.38 0.07 0.27 0.45 0.07 0.00 0.00 179.01 179.49 2h57 h HIS 82 N 0.00 0.00 -0.04 2.06 3.86 -1.65 -2.47 115.15 116.91 2h57 h HIS 82 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2h57 h HIS 82 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2h57 h HIS 82 CO 0.00 0.00 0.00 0.66 0.86 0.00 0.00 177.93 179.45 2h57 n TYR 83 N -3.33 0.08 0.25 2.45 4.02 -0.84 -4.72 117.16 115.07 2h57 n TYR 83 Ca 0.01 -0.70 0.11 0.00 -0.01 0.00 0.00 57.90 57.30 2h57 n TYR 83 Cb 0.37 -0.10 0.63 0.00 -0.02 0.00 0.00 39.34 40.22 2h57 n TYR 83 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 2h57 h TYR 84 N 0.24 0.00 0.17 -0.72 -1.99 -1.50 -2.82 116.97 110.36 2h57 h TYR 84 Ca 0.00 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.42 2h57 h TYR 84 Cb 0.75 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.49 2h57 h TYR 84 CO 0.04 0.17 -1.46 0.87 -0.00 0.00 0.00 178.16 177.78 2h57 h LYS 85 N 0.00 0.36 0.00 4.88 1.57 -1.82 -3.27 116.57 118.30 2h57 h LYS 85 Ca -0.00 -0.62 -0.02 0.00 -1.87 0.00 0.00 60.65 58.14 2h57 h LYS 85 Cb 0.42 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 2h57 h LYS 85 CO 0.02 1.27 -0.11 0.93 -0.57 0.00 0.00 179.45 180.99 2h57 h GLU 86 N 0.10 0.00 -6.30 3.15 3.07 -1.87 -3.44 114.58 109.29 2h57 h GLU 86 Ca -0.23 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.07 2h57 h GLU 86 Cb 2.06 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.93 2h57 h GLU 86 CO 0.21 0.11 1.01 0.20 -1.40 0.00 0.00 179.01 179.15 2h57 s GLY 87 N -4.19 1.38 0.00 -3.84 0.00 -1.08 -4.73 107.32 94.86 2h57 s GLY 87 Ca -0.03 0.28 0.25 0.00 0.00 0.00 0.00 44.72 45.22 2h57 s GLY 87 CO 0.58 2.71 1.35 -1.06 0.00 0.00 0.00 173.10 176.68 2h57 n GLN 88 N 7.32 0.46 -3.55 2.90 6.02 0.56 -4.96 117.38 126.13 2h57 n GLN 88 Ca 0.16 -0.31 -0.07 0.00 -0.01 0.00 0.00 57.00 56.77 2h57 n GLN 88 Cb 0.46 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 2h57 n GLN 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2h57 s ALA 89 N -2.75 -1.82 -0.03 -1.58 0.00 -1.23 -4.31 121.76 110.04 2h57 s ALA 89 Ca 0.16 0.90 0.05 0.00 0.00 0.00 0.00 51.96 53.07 2h57 s ALA 89 Cb 0.18 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 2h57 s ALA 89 CO 0.64 -0.75 -0.19 0.42 0.00 0.00 0.00 175.76 175.89 2h57 s ILE 90 N -3.10 1.52 -0.28 0.00 1.01 -0.12 -1.67 121.20 118.57 2h57 s ILE 90 Ca 0.06 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 2h57 s ILE 90 Cb -0.01 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.18 2h57 s ILE 90 CO -0.07 0.43 0.04 -0.63 0.00 0.00 0.00 174.94 174.72 2h57 s ILE 91 N -0.20 3.72 -0.25 2.92 1.01 0.12 -0.49 121.20 128.03 2h57 s ILE 91 Ca 0.01 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 2h57 s ILE 91 Cb -0.10 -2.89 0.02 0.00 0.01 0.00 0.00 42.46 39.50 2h57 s ILE 91 CO 0.01 0.14 -0.05 0.12 0.00 0.00 0.00 174.94 175.16 2h57 s PHE 92 N 1.47 3.05 -0.12 3.97 2.19 0.59 -0.71 117.98 128.42 2h57 s PHE 92 Ca 0.03 -1.40 -0.03 0.00 0.33 0.00 0.00 56.93 55.85 2h57 s PHE 92 Cb -0.17 -2.08 -0.03 0.00 -1.31 0.00 0.00 43.02 39.43 2h57 s PHE 92 CO 0.01 -0.69 -0.00 0.08 1.83 0.00 0.00 175.22 176.45 2h57 s VAL 93 N 1.36 4.27 -0.04 3.12 1.01 0.01 -1.74 120.40 128.39 2h57 s VAL 93 Ca 0.01 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2h57 s VAL 93 Cb -0.16 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 2h57 s VAL 93 CO -0.04 0.56 -0.18 -0.63 0.00 0.00 0.00 175.10 174.81 2h57 s ILE 94 N -0.42 1.46 -0.53 2.22 1.09 -0.33 -4.06 121.20 120.63 2h57 s ILE 94 Ca 0.08 -0.74 -0.28 0.00 -1.10 0.00 0.00 60.65 58.61 2h57 s ILE 94 Cb -0.12 -1.25 0.01 0.00 -1.06 0.00 0.00 42.46 40.04 2h57 s ILE 94 CO 0.02 0.42 1.44 -0.62 -0.10 0.00 0.00 174.94 176.10 2h57 s ASP 95 N -0.03 6.12 0.55 3.58 -1.08 -1.26 -0.72 116.67 123.84 2h57 s ASP 95 Ca -0.02 0.42 0.29 0.00 -0.52 0.00 0.00 52.55 52.71 2h57 s ASP 95 Cb -0.11 -2.54 1.62 0.00 -1.46 0.00 0.00 42.92 40.43 2h57 s ASP 95 CO 0.02 -1.68 2.15 0.28 0.52 0.00 0.00 175.17 176.46 2h57 h SER 96 N 11.22 0.00 -0.09 -0.34 0.02 -0.97 -2.85 113.55 120.53 2h57 h SER 96 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2h57 h SER 96 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2h57 h SER 96 CO 1.16 0.07 0.00 -1.54 -1.14 0.00 0.00 176.83 175.38 2h57 n SER 97 N -3.71 1.38 -3.76 3.07 3.41 -1.26 -2.15 113.62 110.60 2h57 n SER 97 Ca -0.02 -1.58 -0.28 0.00 -0.26 0.00 0.00 58.87 56.73 2h57 n SER 97 Cb 0.17 -0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 63.95 2h57 n SER 97 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2h57 s ASP 98 N -1.74 3.81 0.22 4.04 -1.08 -1.08 -4.62 116.67 116.23 2h57 s ASP 98 Ca 0.35 -3.37 -0.08 0.00 -0.52 0.00 0.00 52.55 48.93 2h57 s ASP 98 Cb 0.18 -1.26 0.25 0.00 -1.46 0.00 0.00 42.92 40.63 2h57 s ASP 98 CO 0.29 -0.15 1.85 -0.09 0.52 0.00 0.00 175.17 177.59 2h57 h ARG 99 N 5.81 0.90 0.07 4.34 2.43 -1.83 -2.25 114.38 123.85 2h57 h ARG 99 Ca 0.12 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2h57 h ARG 99 Cb 0.83 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2h57 h ARG 99 CO 0.59 0.60 -0.03 1.25 -1.51 0.00 0.00 179.97 180.87 2h57 h LEU 100 N 0.93 -0.08 -1.46 3.80 5.85 -1.97 -2.66 115.31 119.72 2h57 h LEU 100 Ca 0.32 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2h57 h LEU 100 Cb 0.07 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2h57 h LEU 100 CO -0.13 0.22 0.00 0.03 -0.34 0.00 0.00 178.44 178.21 2h57 h ARG 101 N -0.38 0.00 -0.06 1.25 3.08 -1.95 -1.38 114.38 114.95 2h57 h ARG 101 Ca -0.01 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2h57 h ARG 101 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2h57 h ARG 101 CO 0.02 0.00 0.06 0.52 -1.07 0.00 0.00 179.97 179.49 2h57 h MET 102 N 0.00 0.00 -0.45 0.04 2.86 -1.03 0.54 114.93 116.89 2h57 h MET 102 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 2h57 h MET 102 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2h57 h MET 102 CO 0.00 0.00 -0.19 0.28 1.06 0.00 0.00 176.91 178.06 2h57 h VAL 103 N 0.00 1.27 -0.20 -2.22 2.07 -1.33 -0.19 116.25 115.65 2h57 h VAL 103 Ca 0.03 -1.35 -0.14 0.00 0.82 0.00 0.00 66.70 66.06 2h57 h VAL 103 Cb 0.14 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2h57 h VAL 103 CO -0.00 0.46 -0.42 0.58 0.02 0.00 0.00 177.57 178.21 2h57 h VAL 104 N 0.77 1.32 -0.77 2.57 2.07 -1.48 -2.78 116.25 117.96 2h57 h VAL 104 Ca 0.10 -1.64 0.07 0.00 0.82 0.00 0.00 66.70 66.05 2h57 h VAL 104 Cb 0.76 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.33 2h57 h VAL 104 CO 0.06 0.51 0.45 0.00 0.02 0.00 0.00 177.57 178.61 2h57 h ALA 105 N 0.60 1.05 -0.68 1.67 0.00 -0.88 -2.11 119.26 118.90 2h57 h ALA 105 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2h57 h ALA 105 Cb 1.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2h57 h ALA 105 CO 0.09 0.14 0.42 -0.22 0.00 0.00 0.00 179.25 179.68 2h57 h LYS 106 N 0.80 0.92 -0.44 0.00 3.64 -0.94 -0.44 116.57 120.12 2h57 h LYS 106 Ca 0.35 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2h57 h LYS 106 Cb 0.22 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2h57 h LYS 106 CO -0.19 0.64 0.26 1.49 -2.27 0.00 0.00 179.45 179.38 2h57 h GLU 107 N 0.93 0.60 -0.72 1.90 4.57 -1.17 -0.57 114.58 120.11 2h57 h GLU 107 Ca 0.25 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.31 2h57 h GLU 107 Cb -0.05 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 2h57 h GLU 107 CO -0.05 0.45 0.23 0.93 -1.18 0.00 0.00 179.01 179.39 2h57 h GLU 108 N 0.58 1.10 -0.50 1.92 4.39 -1.16 -1.42 114.58 119.49 2h57 h GLU 108 Ca 0.16 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2h57 h GLU 108 Cb 0.01 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 2h57 h GLU 108 CO -0.03 0.93 0.14 1.25 -1.16 0.00 0.00 179.01 180.15 2h57 h LEU 109 N 1.06 0.74 -1.04 1.33 5.85 -0.81 -0.32 115.31 122.13 2h57 h LEU 109 Ca 0.23 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2h57 h LEU 109 Cb 0.29 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2h57 h LEU 109 CO -0.01 0.77 0.08 0.44 -0.34 0.00 0.00 178.44 179.38 2h57 h ASP 110 N 0.68 0.72 -0.41 1.25 3.32 -0.90 -0.73 116.42 120.35 2h57 h ASP 110 Ca 0.16 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 2h57 h ASP 110 Cb 0.30 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2h57 h ASP 110 CO -0.00 0.74 -0.27 0.74 -1.72 0.00 0.00 179.24 178.72 2h57 h THR 111 N 0.73 1.27 0.39 0.35 2.02 -1.02 -2.75 112.91 113.91 2h57 h THR 111 Ca 0.16 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 2h57 h THR 111 Cb 0.33 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2h57 h THR 111 CO 0.00 0.49 -0.19 0.25 0.37 0.00 0.00 175.52 176.44 2h57 h LEU 112 N 0.80 -0.45 -1.72 2.58 5.85 -0.85 -2.99 115.31 118.53 2h57 h LEU 112 Ca 0.09 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2h57 h LEU 112 Cb 0.85 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 2h57 h LEU 112 CO 0.07 -0.27 0.16 -0.07 -0.34 0.00 0.00 178.44 178.00 2h57 h LEU 113 N -0.60 0.31 -2.52 2.25 3.38 -1.11 -1.95 115.31 115.07 2h57 h LEU 113 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2h57 h LEU 113 Cb 0.44 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2h57 h LEU 113 CO 0.09 0.23 0.00 0.59 0.09 0.00 0.00 178.44 179.44 2h57 n ASN 114 N -4.49 3.70 -4.75 -0.43 3.02 -1.04 -3.42 115.26 107.86 2h57 n ASN 114 Ca 0.01 -2.05 -0.41 0.00 -0.03 0.00 0.00 54.58 52.10 2h57 n ASN 114 Cb 0.08 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 2h57 n ASN 114 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2h57 s HIS 115 N -1.19 3.31 0.21 3.10 2.46 -0.73 -4.73 115.29 117.72 2h57 s HIS 115 Ca 0.45 1.37 -0.17 0.00 0.47 0.00 0.00 55.06 57.19 2h57 s HIS 115 Cb 0.24 -3.53 0.21 0.00 -0.13 0.00 0.00 32.58 29.37 2h57 s HIS 115 CO 0.30 -1.51 1.59 -1.35 -2.47 0.00 0.00 174.74 171.30 2h57 h PRO 116 N 4.82 -0.08 0.00 2.88 0.11 -1.92 0.88 132.00 138.68 2h57 h PRO 116 Ca -0.46 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2h57 h PRO 116 Cb 1.22 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2h57 h PRO 116 CO 0.73 -0.05 0.00 -0.25 -0.21 0.00 0.00 178.00 178.22 2h57 n ASP 117 N -5.46 0.00 -0.01 -2.05 8.00 -1.26 -3.68 116.55 112.09 2h57 n ASP 117 Ca 0.07 -0.27 -0.02 0.00 0.71 0.00 0.00 54.79 55.28 2h57 n ASP 117 Cb 0.37 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.36 2h57 n ASP 117 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2h57 n ILE 118 N -1.10 0.08 -0.09 0.53 2.08 0.79 -4.63 119.36 117.03 2h57 n ILE 118 Ca 0.10 -0.02 0.18 0.00 0.56 0.00 0.00 62.75 63.56 2h57 n ILE 118 Cb 0.07 -1.51 0.59 0.00 -0.75 0.00 0.00 39.64 38.04 2h57 n ILE 118 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2h57 h LYS 119 N -0.05 0.22 -0.47 0.38 6.56 0.56 -2.55 116.57 121.22 2h57 h LYS 119 Ca -0.04 -0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.44 2h57 h LYS 119 Cb 1.03 -0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 32.58 2h57 h LYS 119 CO -0.02 0.15 0.08 0.72 -2.06 0.00 0.00 179.45 178.31 2h57 n HIS 120 N -4.43 1.59 -4.30 -1.35 8.25 -1.26 -4.95 115.22 108.78 2h57 n HIS 120 Ca 0.12 -1.09 -0.22 0.00 -0.26 0.00 0.00 57.72 56.27 2h57 n HIS 120 Cb 0.57 -0.49 -0.12 0.00 1.12 0.00 0.00 29.99 31.07 2h57 n HIS 120 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2h57 s ARG 121 N -2.95 1.16 -0.81 -0.41 0.52 -0.96 -5.07 118.95 110.43 2h57 s ARG 121 Ca 0.48 -1.26 -0.02 0.00 -0.52 0.00 0.00 55.73 54.42 2h57 s ARG 121 Cb 0.39 -1.30 0.36 0.00 0.52 0.00 0.00 34.95 34.92 2h57 s ARG 121 CO 0.10 0.28 1.97 0.54 0.02 0.00 0.00 175.30 178.21 2h57 n ARG 122 N 0.73 2.79 -2.56 3.54 1.74 -1.26 -4.90 116.66 116.75 2h57 n ARG 122 Ca -0.17 -3.58 -0.40 0.00 -0.77 0.00 0.00 57.85 52.94 2h57 n ARG 122 Cb 0.55 -2.27 -0.05 0.00 -1.02 0.00 0.00 32.46 29.68 2h57 n ARG 122 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2h57 s ILE 123 N -5.10 3.67 0.27 0.55 -4.36 -1.26 -4.68 121.20 110.29 2h57 s ILE 123 Ca 0.52 1.64 -0.29 0.00 -0.26 0.00 0.00 60.65 62.26 2h57 s ILE 123 Cb 0.44 -4.03 -0.09 0.00 1.25 0.00 0.00 42.46 40.03 2h57 s ILE 123 CO -0.39 0.36 1.02 -2.16 0.24 0.00 0.00 174.94 174.01 2h57 s PRO 124 N -1.49 4.70 -0.25 0.37 0.04 -1.26 -4.41 135.00 132.71 2h57 s PRO 124 Ca 0.45 1.64 0.01 0.00 0.04 0.00 0.00 61.00 63.14 2h57 s PRO 124 Cb -0.29 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.12 2h57 s PRO 124 CO 0.37 0.32 -0.11 0.42 0.04 0.00 0.00 177.00 178.05 2h57 s ILE 125 N -1.22 2.38 -0.23 0.56 1.01 -0.53 -0.94 121.20 122.22 2h57 s ILE 125 Ca 0.44 -1.35 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 2h57 s ILE 125 Cb -0.28 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 2h57 s ILE 125 CO 0.36 0.12 0.51 -0.22 0.00 0.00 0.00 174.94 175.71 2h57 s LEU 126 N 1.20 4.09 -0.17 2.97 2.96 0.35 -2.45 118.68 127.64 2h57 s LEU 126 Ca -0.04 0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 54.37 2h57 s LEU 126 Cb -0.18 -2.67 -0.05 0.00 0.50 0.00 0.00 46.19 43.79 2h57 s LEU 126 CO -0.06 -0.24 0.13 -0.36 -1.32 0.00 0.00 176.35 174.50 2h57 s PHE 127 N 2.00 3.46 -0.24 5.38 0.40 0.13 -0.30 117.98 128.82 2h57 s PHE 127 Ca 0.22 0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 56.89 2h57 s PHE 127 Cb -0.15 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.31 2h57 s PHE 127 CO 0.09 0.44 -0.03 -0.06 0.70 0.00 0.00 175.22 176.36 2h57 s PHE 128 N -0.14 3.01 -1.24 0.36 2.99 -0.71 -1.56 117.98 120.69 2h57 s PHE 128 Ca 0.10 -1.13 -0.14 0.00 0.00 0.00 0.00 56.93 55.76 2h57 s PHE 128 Cb -0.11 -2.11 0.15 0.00 0.00 0.00 0.00 43.02 40.94 2h57 s PHE 128 CO 0.00 -0.61 1.55 0.00 -0.00 0.00 0.00 175.22 176.16 2h57 n ALA 129 N 4.77 3.95 -1.76 5.36 0.00 0.50 -1.19 120.51 132.13 2h57 n ALA 129 Ca -0.17 -4.16 -0.30 0.00 0.00 0.00 0.00 53.44 48.81 2h57 n ALA 129 Cb 0.49 -3.18 0.07 0.00 0.00 0.00 0.00 19.45 16.84 2h57 n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2h57 s ASN 130 N 2.99 4.83 -0.92 0.00 2.47 0.10 -1.87 114.94 122.53 2h57 s ASN 130 Ca 0.45 1.10 -0.03 0.00 0.42 0.00 0.00 52.86 54.80 2h57 s ASN 130 Cb -0.00 -1.80 0.00 0.00 -1.45 0.00 0.00 41.25 38.00 2h57 s ASN 130 CO 0.02 -1.73 0.42 0.29 -3.72 0.00 0.00 177.10 172.37 2h57 n LYS 131 N -3.25 -3.22 0.29 0.43 5.02 -0.50 -0.35 118.16 116.57 2h57 n LYS 131 Ca 0.07 0.54 0.16 0.00 -2.02 0.00 0.00 58.31 57.07 2h57 n LYS 131 Cb 0.58 -4.65 0.88 0.00 -0.02 0.00 0.00 35.03 31.82 2h57 n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h57 h MET 132 N -0.95 0.00 0.00 1.97 -0.00 -1.51 -2.30 114.93 112.14 2h57 h MET 132 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 2h57 h MET 132 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.82 2h57 h MET 132 CO 0.34 0.05 0.00 -0.40 -0.00 0.00 0.00 176.91 176.90 2h57 n ASP 133 N -3.51 0.26 -4.90 -0.10 5.75 -1.26 -4.73 116.55 108.06 2h57 n ASP 133 Ca -0.02 0.54 -0.28 0.00 -0.01 0.00 0.00 54.79 55.02 2h57 n ASP 133 Cb 0.17 -0.61 0.01 0.00 -1.03 0.00 0.00 41.12 39.66 2h57 n ASP 133 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2h57 s LEU 134 N -3.53 3.37 0.14 -2.12 1.43 -0.86 -4.98 118.68 112.13 2h57 s LEU 134 Ca 0.09 1.00 -0.18 0.00 -1.03 0.00 0.00 54.13 54.01 2h57 s LEU 134 Cb 0.13 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2h57 s LEU 134 CO 0.42 -0.84 1.76 0.08 0.23 0.00 0.00 176.35 178.01 2h57 h ARG 135 N -0.08 0.26 -0.07 1.70 0.11 -1.89 -2.59 114.38 111.83 2h57 h ARG 135 Ca -0.46 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2h57 h ARG 135 Cb 1.22 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.24 2h57 h ARG 135 CO 0.62 0.17 0.00 -0.25 0.10 0.00 0.00 179.97 180.61 2h57 n ASP 136 N -4.99 1.01 -4.66 0.08 8.00 -1.26 -4.94 116.55 109.80 2h57 n ASP 136 Ca -0.01 -1.50 -0.48 0.00 0.71 0.00 0.00 54.79 53.51 2h57 n ASP 136 Cb 0.08 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 2h57 n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h57 n ALA 137 N -0.15 0.69 -2.84 2.24 0.00 -0.98 -4.56 120.51 114.92 2h57 n ALA 137 Ca 0.17 0.43 -0.21 0.00 0.00 0.00 0.00 53.44 53.84 2h57 n ALA 137 Cb 0.24 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.37 2h57 n ALA 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2h57 s VAL 138 N 1.43 5.03 0.88 0.00 -7.23 -0.92 -4.92 120.40 114.67 2h57 s VAL 138 Ca 0.83 -0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 59.98 2h57 s VAL 138 Cb -0.76 -3.78 0.12 0.00 0.56 0.00 0.00 36.38 32.51 2h57 s VAL 138 CO 0.43 -0.33 1.09 0.42 -0.31 0.00 0.00 175.10 176.40 2h57 s THR 139 N -2.07 2.75 0.26 5.32 -4.23 -1.26 -4.78 115.64 111.63 2h57 s THR 139 Ca 0.37 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 61.08 2h57 s THR 139 Cb -0.09 -2.69 0.22 0.00 1.34 0.00 0.00 72.50 71.28 2h57 s THR 139 CO 0.30 -0.32 1.89 0.77 -0.54 0.00 0.00 174.62 176.73 2h57 h SER 140 N -1.52 1.03 -0.28 3.99 4.64 -1.92 0.43 113.55 119.92 2h57 h SER 140 Ca -0.48 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2h57 h SER 140 Cb 1.27 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 2h57 h SER 140 CO 0.53 0.82 0.18 0.58 -0.87 0.00 0.00 176.83 178.07 2h57 h VAL 141 N 1.16 1.06 -0.74 0.95 2.07 -1.95 0.21 116.25 119.02 2h57 h VAL 141 Ca 0.30 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.74 2h57 h VAL 141 Cb 0.01 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 2h57 h VAL 141 CO -0.05 0.07 0.44 0.11 0.02 0.00 0.00 177.57 178.16 2h57 h LYS 142 N 0.38 0.80 -0.51 1.57 1.57 -1.81 -0.58 116.57 117.99 2h57 h LYS 142 Ca 0.11 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2h57 h LYS 142 Cb -0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2h57 h LYS 142 CO -0.03 0.53 0.22 0.28 -0.57 0.00 0.00 179.45 179.88 2h57 h VAL 143 N 0.83 1.20 -0.89 0.50 2.07 -0.35 -1.03 116.25 118.58 2h57 h VAL 143 Ca 0.32 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.29 2h57 h VAL 143 Cb 0.14 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 2h57 h VAL 143 CO -0.16 0.23 0.56 -1.28 0.02 0.00 0.00 177.57 176.94 2h57 h SER 144 N 0.68 0.89 -0.12 0.57 0.87 -0.18 -0.57 113.55 115.68 2h57 h SER 144 Ca 0.17 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2h57 h SER 144 Cb 0.16 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2h57 h SER 144 CO -0.02 0.57 -0.02 1.56 -0.53 0.00 0.00 176.83 178.40 2h57 h GLN 145 N 1.03 0.23 -0.05 2.24 4.20 -0.78 -0.34 115.11 121.64 2h57 h GLN 145 Ca 0.39 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 2h57 h GLN 145 Cb 0.16 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2h57 h GLN 145 CO -0.17 0.50 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.33 2h57 h LEU 146 N -0.06 0.07 0.00 1.46 3.38 -0.97 -2.87 115.31 116.32 2h57 h LEU 146 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2h57 h LEU 146 Cb 0.41 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2h57 h LEU 146 CO 0.01 0.18 -0.82 0.18 0.09 0.00 0.00 178.44 178.08 2h57 n LEU 147 N -4.39 0.66 -3.64 1.67 4.77 -0.24 -4.98 117.00 110.86 2h57 n LEU 147 Ca -0.02 -0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.63 2h57 n LEU 147 Cb 0.19 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2h57 n LEU 147 CO 0.36 0.12 0.04 0.00 -1.33 0.00 0.00 177.39 176.57 2h57 h LEU 149 N -1.98 0.00 -1.94 0.00 3.38 -1.72 -2.41 115.31 110.64 2h57 h LEU 149 Ca -0.60 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.43 2h57 h LEU 149 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2h57 h LEU 149 CO 0.56 0.08 0.18 -0.33 0.09 0.00 0.00 178.44 179.02 2h57 h GLU 150 N 0.00 0.08 0.00 1.13 4.39 -1.90 -1.39 114.58 116.88 2h57 h GLU 150 Ca -0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2h57 h GLU 150 Cb 0.25 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2h57 h GLU 150 CO 0.01 0.05 0.00 0.09 -1.16 0.00 0.00 179.01 178.00 2h57 n ASN 151 N -4.48 0.00 -4.54 1.42 3.02 -0.91 -4.48 115.26 105.30 2h57 n ASN 151 Ca 0.03 0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 2h57 n ASN 151 Cb 0.28 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2h57 n ASN 151 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h57 s ILE 152 N -2.56 3.88 -0.22 2.41 1.01 -0.53 -4.84 121.20 120.36 2h57 s ILE 152 Ca 0.18 -0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.82 2h57 s ILE 152 Cb 0.12 -4.92 -0.21 0.00 0.01 0.00 0.00 42.46 37.46 2h57 s ILE 152 CO 0.28 -1.82 -0.03 0.29 0.00 0.00 0.00 174.94 173.66 2h57 n LYS 153 N 8.95 0.67 -1.03 2.79 4.01 -1.26 -4.48 118.16 127.81 2h57 n LYS 153 Ca 0.11 0.13 -0.12 0.00 -0.51 0.00 0.00 58.31 57.91 2h57 n LYS 153 Cb 0.49 -1.56 0.23 0.00 -0.51 0.00 0.00 35.03 33.68 2h57 n LYS 153 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2h57 n ASP 154 N -3.13 3.82 -3.79 4.39 3.85 -1.26 -4.92 116.55 115.50 2h57 n ASP 154 Ca -0.39 -3.50 -0.13 0.00 -0.71 0.00 0.00 54.79 50.07 2h57 n ASP 154 Cb 1.05 -0.75 -0.12 0.00 -1.35 0.00 0.00 41.12 39.95 2h57 n ASP 154 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 2h57 s LYS 155 N -3.17 0.26 0.19 0.11 1.02 -1.26 -4.58 119.74 112.30 2h57 s LYS 155 Ca 0.53 0.33 -0.30 0.00 0.02 0.00 0.00 55.97 56.55 2h57 s LYS 155 Cb 0.44 0.11 -0.08 0.00 -0.52 0.00 0.00 37.83 37.78 2h57 s LYS 155 CO 0.09 -0.04 1.22 -2.14 -0.92 0.00 0.00 175.35 173.55 2h57 s PRO 156 N 0.22 4.48 -0.01 -1.68 0.02 -1.26 -4.96 135.00 131.80 2h57 s PRO 156 Ca -0.01 1.91 -0.14 0.00 0.02 0.00 0.00 61.00 62.78 2h57 s PRO 156 Cb -0.02 -3.23 0.02 0.00 0.02 0.00 0.00 34.50 31.29 2h57 s PRO 156 CO -0.00 -0.11 0.29 1.67 -0.33 0.00 0.00 177.00 178.51 2h57 s TRP 157 N -0.07 -0.15 -0.02 6.54 1.48 -1.26 -1.46 118.94 124.00 2h57 s TRP 157 Ca 0.53 0.22 -0.09 0.00 -1.06 0.00 0.00 56.10 55.70 2h57 s TRP 157 Cb -0.33 0.08 0.01 0.00 -1.16 0.00 0.00 33.47 32.07 2h57 s TRP 157 CO 0.37 -0.38 0.19 -1.58 -4.06 0.00 0.00 176.95 171.49 2h57 s HIS 158 N -1.34 -0.06 -0.03 1.66 2.46 -1.03 -5.02 115.29 111.93 2h57 s HIS 158 Ca -0.14 0.09 0.04 0.00 0.47 0.00 0.00 55.06 55.52 2h57 s HIS 158 Cb -0.05 0.01 -0.00 0.00 -0.13 0.00 0.00 32.58 32.40 2h57 s HIS 158 CO 0.04 -0.28 -0.13 -1.50 -2.47 0.00 0.00 174.74 170.40 2h57 s ILE 159 N -1.08 1.11 0.00 0.89 2.07 -1.26 0.22 121.20 123.15 2h57 s ILE 159 Ca -0.12 -0.55 0.07 0.00 -1.41 0.00 0.00 60.65 58.64 2h57 s ILE 159 Cb -0.06 -0.96 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 2h57 s ILE 159 CO 0.02 0.33 -0.20 0.00 -1.91 0.00 0.00 174.94 173.17 2h57 s ALA 161 N -0.57 3.39 0.03 0.00 0.00 -1.26 -0.37 121.76 122.98 2h57 s ALA 161 Ca 0.08 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.91 2h57 s ALA 161 Cb -0.08 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2h57 s ALA 161 CO -0.00 -0.21 -0.05 -1.54 0.00 0.00 0.00 175.76 173.96 2h57 s SER 162 N -0.38 0.53 -0.34 0.00 1.04 -0.78 -4.16 113.70 109.60 2h57 s SER 162 Ca 0.48 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.39 2h57 s SER 162 Cb -0.31 0.07 0.09 0.00 0.10 0.00 0.00 66.02 65.98 2h57 s SER 162 CO 0.37 -0.27 0.06 -0.62 0.98 0.00 0.00 173.24 173.77 2h57 s ASP 163 N -1.57 4.85 0.54 7.02 -1.08 -0.73 -1.41 116.67 124.30 2h57 s ASP 163 Ca -0.12 -1.98 0.33 0.00 -0.52 0.00 0.00 52.55 50.25 2h57 s ASP 163 Cb -0.09 -1.67 1.34 0.00 -1.46 0.00 0.00 42.92 41.03 2h57 s ASP 163 CO -0.01 -0.39 1.97 0.00 0.52 0.00 0.00 175.17 177.27 2h57 h ALA 164 N 7.75 1.00 -0.09 3.66 0.00 -1.93 0.16 119.26 129.81 2h57 h ALA 164 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2h57 h ALA 164 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2h57 h ALA 164 CO 0.55 0.00 -0.26 0.82 0.00 0.00 0.00 179.25 180.37 2h57 h ILE 165 N 0.00 1.41 0.00 0.00 1.08 -1.95 -3.34 117.51 114.71 2h57 h ILE 165 Ca 0.00 -1.60 -0.25 0.00 -0.39 0.00 0.00 64.86 62.63 2h57 h ILE 165 Cb 0.52 2.20 -0.04 0.00 -3.07 0.00 0.00 36.82 36.43 2h57 h ILE 165 CO 0.00 0.46 -1.34 0.11 -0.69 0.00 0.00 178.15 176.69 2h57 h LYS 166 N -0.13 0.00 0.00 2.37 6.56 -1.95 -3.48 116.57 119.94 2h57 h LYS 166 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2h57 h LYS 166 Cb 0.87 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 2h57 h LYS 166 CO 0.05 0.73 0.00 0.41 -2.06 0.00 0.00 179.45 178.59 2h57 n GLY 167 N 1.45 0.58 3.74 3.86 0.00 0.51 -5.07 105.19 110.26 2h57 n GLY 167 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2h57 n GLY 167 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h57 s GLU 168 N -0.75 4.21 0.00 1.61 4.04 -0.98 -2.87 118.70 123.96 2h57 s GLU 168 Ca 0.00 2.40 0.00 0.00 0.04 0.00 0.00 54.97 57.41 2h57 s GLU 168 Cb 0.00 -3.09 0.00 0.00 0.02 0.00 0.00 34.13 31.06 2h57 s GLU 168 CO 0.00 -0.52 0.00 0.41 -1.84 0.00 0.00 175.26 173.31 2h57 n GLY 169 N 2.49 2.41 0.18 -3.83 0.00 -1.26 -1.77 105.19 103.41 2h57 n GLY 169 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2h57 n GLY 169 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h57 h LEU 170 N 0.00 0.52 -0.14 0.99 3.38 -1.81 -3.02 115.31 115.23 2h57 h LEU 170 Ca 0.00 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2h57 h LEU 170 Cb 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2h57 h LEU 170 CO 0.00 1.10 -0.03 1.56 0.09 0.00 0.00 178.44 181.16 2h57 h GLN 171 N 0.29 0.27 -1.00 1.13 1.08 -1.91 -1.48 115.11 113.50 2h57 h GLN 171 Ca -0.04 -0.10 0.17 0.00 -1.45 0.00 0.00 58.65 57.23 2h57 h GLN 171 Cb 1.35 -0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 28.66 2h57 h GLN 171 CO 0.13 0.55 0.61 1.49 -0.95 0.00 0.00 178.83 180.66 2h57 h GLU 172 N -0.02 0.80 -0.02 1.46 4.81 -1.96 0.23 114.58 119.87 2h57 h GLU 172 Ca 0.04 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2h57 h GLU 172 Cb 0.45 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2h57 h GLU 172 CO 0.01 0.53 -0.01 0.78 -0.73 0.00 0.00 179.01 179.60 2h57 h GLY 173 N 0.83 0.05 1.01 1.92 0.00 -1.37 -2.12 103.07 103.39 2h57 h GLY 173 Ca 0.55 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.81 2h57 h GLY 173 CO -0.35 0.04 0.33 -2.08 0.00 0.00 0.00 176.54 174.48 2h57 h VAL 174 N -0.35 1.23 -0.20 4.60 2.07 -0.87 -1.60 116.25 121.12 2h57 h VAL 174 Ca 0.01 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.92 2h57 h VAL 174 Cb 0.43 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2h57 h VAL 174 CO 0.00 0.27 -0.07 0.44 0.02 0.00 0.00 177.57 178.23 2h57 h ASP 175 N 0.96 -0.26 -0.00 0.57 3.32 -0.57 0.98 116.42 121.43 2h57 h ASP 175 Ca 0.24 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.37 2h57 h ASP 175 Cb 0.12 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2h57 h ASP 175 CO -0.03 -0.10 -0.09 -0.25 -1.72 0.00 0.00 179.24 177.05 2h57 h TRP 176 N -0.04 -0.23 -0.37 4.55 7.01 -1.10 -1.37 115.95 124.41 2h57 h TRP 176 Ca 0.10 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 2h57 h TRP 176 Cb 0.19 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 2h57 h TRP 176 CO -0.24 -0.14 0.07 1.25 -2.79 0.00 0.00 178.44 176.59 2h57 h LEU 177 N -0.16 0.50 -0.48 0.65 5.85 -1.03 -1.98 115.31 118.66 2h57 h LEU 177 Ca 0.04 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 2h57 h LEU 177 Cb 0.21 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2h57 h LEU 177 CO -0.10 0.52 0.07 -0.61 -0.34 0.00 0.00 178.44 177.98 2h57 h GLN 178 N 0.53 0.81 -0.89 1.25 4.15 -0.44 -2.59 115.11 117.94 2h57 h GLN 178 Ca 0.12 -0.22 0.06 0.00 0.77 0.00 0.00 58.65 59.38 2h57 h GLN 178 Cb 0.24 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.78 2h57 h GLN 178 CO -0.00 0.82 0.58 -0.44 -1.93 0.00 0.00 178.83 177.85 2h57 h ASP 179 N 0.67 0.89 -0.10 -0.69 3.32 -0.79 -2.89 116.42 116.84 2h57 h ASP 179 Ca 0.14 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 2h57 h ASP 179 Cb 0.41 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2h57 h ASP 179 CO 0.01 0.58 -0.28 1.56 -1.72 0.00 0.00 179.24 179.39 2h57 h GLN 180 N 1.02 0.57 0.00 3.56 1.08 -1.11 -3.18 115.11 117.05 2h57 h GLN 180 Ca 0.38 -0.24 -0.16 0.00 -1.45 0.00 0.00 58.65 57.18 2h57 h GLN 180 Cb 0.17 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2h57 h GLN 180 CO -0.13 0.79 -0.78 0.82 -0.95 0.00 0.00 178.83 178.58 2h57 h ILE 181 N 0.49 1.53 -0.02 2.54 1.08 -1.26 -3.50 117.51 118.37 2h57 h ILE 181 Ca 0.06 -2.69 0.00 0.00 -0.39 0.00 0.00 64.86 61.85 2h57 h ILE 181 Cb 0.74 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 2h57 h ILE 181 CO 0.06 0.76 0.00 0.00 -0.69 0.00 0.00 178.15 178.28