#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ft0 s GLU 2 N 0.00 2.38 -0.19 0.00 2.02 -1.26 -4.97 118.70 116.68 3ft0 s GLU 2 Ca 0.00 -1.61 0.16 0.00 0.02 0.00 0.00 54.97 53.54 3ft0 s GLU 2 Cb 0.00 -3.68 0.61 0.00 0.10 0.00 0.00 34.13 31.16 3ft0 s GLU 2 CO 0.00 -1.00 1.52 0.00 0.02 0.00 0.00 175.26 175.80 3ft0 s SER 4 N -1.55 0.21 -0.09 0.00 1.04 -1.26 -1.00 113.70 111.05 3ft0 s SER 4 Ca 0.45 -0.91 -0.08 0.00 0.48 0.00 0.00 55.95 55.90 3ft0 s SER 4 Cb 0.36 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.83 3ft0 s SER 4 CO 0.12 -0.75 0.24 0.54 0.98 0.00 0.00 173.24 174.36 3ft0 s VAL 5 N -3.95 -0.00 -0.24 5.02 0.11 -0.26 -4.94 120.40 116.13 3ft0 s VAL 5 Ca 0.13 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.09 3ft0 s VAL 5 Cb 0.06 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 3ft0 s VAL 5 CO -0.05 0.01 0.19 -1.81 -3.33 0.00 0.00 175.10 170.11 3ft0 s ASP 6 N 0.26 6.13 0.03 3.54 1.01 -1.26 -0.52 116.67 125.87 3ft0 s ASP 6 Ca -0.01 0.13 0.06 0.00 0.71 0.00 0.00 52.55 53.44 3ft0 s ASP 6 Cb -0.03 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 3ft0 s ASP 6 CO -0.01 0.04 -0.17 -0.51 0.21 0.00 0.00 175.17 174.72 3ft0 s ILE 7 N 1.18 1.39 -0.06 0.77 2.07 -0.02 -4.96 121.20 121.56 3ft0 s ILE 7 Ca 0.09 -1.04 0.04 0.00 -1.41 0.00 0.00 60.65 58.33 3ft0 s ILE 7 Cb -0.14 -1.22 -0.02 0.00 0.13 0.00 0.00 42.46 41.21 3ft0 s ILE 7 CO 0.06 0.15 -0.19 -1.10 -1.91 0.00 0.00 174.94 171.95 3ft0 s GLN 8 N -1.04 2.59 -0.17 3.50 -0.21 -1.26 -1.03 119.66 122.04 3ft0 s GLN 8 Ca 0.05 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.63 3ft0 s GLN 8 Cb -0.08 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.62 3ft0 s GLN 8 CO 0.01 0.48 -0.10 0.20 -2.12 0.00 0.00 175.29 173.76 3ft0 s GLY 9 N -0.38 1.55 0.34 3.09 0.00 -0.41 -1.93 107.32 109.59 3ft0 s GLY 9 Ca 0.03 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.77 3ft0 s GLY 9 CO 0.02 0.09 0.32 1.16 0.00 0.00 0.00 173.10 174.70 3ft0 n ASN 10 N 4.11 1.86 0.06 1.64 0.23 -0.60 -3.68 115.26 118.88 3ft0 n ASN 10 Ca -0.18 -2.10 0.10 0.00 -0.53 0.00 0.00 54.58 51.86 3ft0 n ASN 10 Cb 0.52 -0.09 0.41 0.00 -2.08 0.00 0.00 39.78 38.53 3ft0 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3ft0 n ASP 11 N -2.10 0.34 -1.36 0.53 8.00 -1.24 -2.69 116.55 118.03 3ft0 n ASP 11 Ca 0.02 0.58 0.10 0.00 0.71 0.00 0.00 54.79 56.20 3ft0 n ASP 11 Cb 0.38 -0.65 0.31 0.00 -0.02 0.00 0.00 41.12 41.14 3ft0 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ft0 n GLN 12 N -1.87 3.02 -3.26 -1.24 3.00 -1.26 -4.96 117.38 110.81 3ft0 n GLN 12 Ca 0.03 -2.50 -0.16 0.00 -0.01 0.00 0.00 57.00 54.36 3ft0 n GLN 12 Cb 0.21 -1.68 0.07 0.00 0.00 0.00 0.00 30.24 28.84 3ft0 n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 3ft0 n MET 13 N 1.23 -5.86 -4.11 -1.09 1.56 -1.09 -5.05 117.12 102.70 3ft0 n MET 13 Ca 0.23 0.68 -0.14 0.00 -0.27 0.00 0.00 57.70 58.19 3ft0 n MET 13 Cb 0.69 -5.22 -0.12 0.00 2.15 0.00 0.00 33.22 30.72 3ft0 n MET 13 CO 0.00 0.00 0.00 1.14 -0.73 0.00 0.00 175.97 176.38 3ft0 s GLN 14 N -5.56 0.53 0.31 2.12 -2.07 -1.26 -4.59 119.66 109.15 3ft0 s GLN 14 Ca 0.23 -0.59 -0.13 0.00 -1.82 0.00 0.00 55.36 53.05 3ft0 s GLN 14 Cb -0.10 -0.39 -0.08 0.00 -1.09 0.00 0.00 33.01 31.35 3ft0 s GLN 14 CO 0.59 0.09 0.69 -0.06 -1.32 0.00 0.00 175.29 175.27 3ft0 s PHE 15 N -0.96 3.40 -1.42 9.60 0.08 -1.26 -1.56 117.98 125.86 3ft0 s PHE 15 Ca -0.05 1.08 0.09 0.00 0.12 0.00 0.00 56.93 58.17 3ft0 s PHE 15 Cb -0.07 -2.44 0.36 0.00 -0.57 0.00 0.00 43.02 40.30 3ft0 s PHE 15 CO 0.00 0.11 1.21 0.27 -0.10 0.00 0.00 175.22 176.71 3ft0 n ASN 16 N -0.48 2.55 -3.72 1.36 6.94 -0.81 -4.82 115.26 116.27 3ft0 n ASN 16 Ca 0.02 -2.19 -0.12 0.00 -0.02 0.00 0.00 54.58 52.27 3ft0 n ASN 16 Cb 0.53 -0.39 -0.07 0.00 -2.36 0.00 0.00 39.78 37.49 3ft0 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3ft0 s THR 17 N -1.66 0.07 -0.06 5.53 -1.32 -1.26 -4.98 115.64 111.96 3ft0 s THR 17 Ca 0.26 -0.60 0.08 0.00 -1.21 0.00 0.00 61.69 60.22 3ft0 s THR 17 Cb 0.16 -0.94 0.13 0.00 -1.51 0.00 0.00 72.50 70.34 3ft0 s THR 17 CO 0.13 -0.33 1.01 -0.46 -2.21 0.00 0.00 174.62 172.76 3ft0 n ASN 18 N 0.56 1.41 -3.53 8.08 0.23 -1.26 -4.81 115.26 115.95 3ft0 n ASN 18 Ca -0.19 -2.36 -0.05 0.00 -0.53 0.00 0.00 54.58 51.46 3ft0 n ASN 18 Cb 0.59 -0.24 -0.06 0.00 -2.08 0.00 0.00 39.78 37.99 3ft0 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ft0 s ALA 19 N -1.45 -1.57 -0.11 -2.53 0.00 -1.26 -1.83 121.76 113.01 3ft0 s ALA 19 Ca 0.14 1.70 -0.01 0.00 0.00 0.00 0.00 51.96 53.79 3ft0 s ALA 19 Cb 0.12 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 3ft0 s ALA 19 CO 0.01 -0.98 -0.06 0.42 0.00 0.00 0.00 175.76 175.15 3ft0 s ILE 20 N 2.72 3.72 -0.15 0.00 1.01 -0.18 -4.97 121.20 123.35 3ft0 s ILE 20 Ca 0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 3ft0 s ILE 20 Cb -0.13 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3ft0 s ILE 20 CO -0.16 0.55 0.01 -0.89 0.00 0.00 0.00 174.94 174.45 3ft0 s THR 21 N -0.21 4.38 -0.30 2.92 2.01 -1.26 -1.68 115.64 121.50 3ft0 s THR 21 Ca 0.03 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 3ft0 s THR 21 Cb -0.13 -2.93 0.05 0.00 0.01 0.00 0.00 72.50 69.50 3ft0 s THR 21 CO 0.03 0.51 0.01 -0.69 -0.69 0.00 0.00 174.62 173.78 3ft0 s VAL 22 N 0.08 3.06 0.13 3.82 1.01 0.12 -4.95 120.40 123.68 3ft0 s VAL 22 Ca 0.03 -1.35 -0.33 0.00 0.00 0.00 0.00 61.98 60.32 3ft0 s VAL 22 Cb -0.13 -2.75 -0.13 0.00 0.00 0.00 0.00 36.38 33.37 3ft0 s VAL 22 CO 0.02 -0.11 1.67 0.47 0.00 0.00 0.00 175.10 177.15 3ft0 n ASP 23 N 4.64 3.40 0.02 3.32 10.43 -1.26 0.16 116.55 137.26 3ft0 n ASP 23 Ca -0.13 1.05 0.10 0.00 2.57 0.00 0.00 54.79 58.38 3ft0 n ASP 23 Cb 0.43 -1.46 0.44 0.00 1.84 0.00 0.00 41.12 42.38 3ft0 n ASP 23 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 3ft0 n LYS 24 N 4.20 0.04 0.22 -1.24 2.85 -0.50 -1.94 118.16 121.79 3ft0 n LYS 24 Ca 0.18 0.18 0.15 0.00 -1.05 0.00 0.00 58.31 57.76 3ft0 n LYS 24 Cb 0.31 -1.56 0.56 0.00 -0.65 0.00 0.00 35.03 33.69 3ft0 n LYS 24 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3ft0 h SER 25 N 0.00 0.00 -2.81 -5.58 4.64 -1.90 -3.44 113.55 104.46 3ft0 h SER 25 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3ft0 h SER 25 Cb 0.38 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.50 3ft0 h SER 25 CO 0.00 0.00 0.89 0.00 -0.87 0.00 0.00 176.83 176.85 3ft0 h LYS 27 N 7.45 0.61 -5.07 0.00 6.56 -1.89 -3.43 116.57 120.80 3ft0 h LYS 27 Ca -0.42 -0.73 -0.34 0.00 -1.06 0.00 0.00 60.65 58.09 3ft0 h LYS 27 Cb 1.20 0.23 -0.18 0.00 -0.57 0.00 0.00 32.23 32.91 3ft0 h LYS 27 CO 0.91 1.31 -0.74 -0.65 -2.06 0.00 0.00 179.45 178.22 3ft0 s GLN 28 N -3.15 0.88 -0.02 3.15 -0.21 -1.26 -1.76 119.66 117.28 3ft0 s GLN 28 Ca -0.09 -1.16 0.03 0.00 0.02 0.00 0.00 55.36 54.17 3ft0 s GLN 28 Cb 0.07 -0.62 -0.00 0.00 1.00 0.00 0.00 33.01 33.45 3ft0 s GLN 28 CO 0.92 0.11 -0.10 0.12 -2.12 0.00 0.00 175.29 174.21 3ft0 s PHE 29 N -2.30 1.02 -0.10 0.91 5.36 -0.33 -4.86 117.98 117.69 3ft0 s PHE 29 Ca 0.05 -0.23 0.03 0.00 -0.96 0.00 0.00 56.93 55.82 3ft0 s PHE 29 Cb -0.04 -0.70 -0.01 0.00 -0.34 0.00 0.00 43.02 41.94 3ft0 s PHE 29 CO 0.01 -0.07 -0.20 0.99 -1.46 0.00 0.00 175.22 174.48 3ft0 s THR 30 N -0.00 2.41 -0.22 0.12 2.01 -0.17 -0.91 115.64 118.87 3ft0 s THR 30 Ca -0.00 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 3ft0 s THR 30 Cb -0.07 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 3ft0 s THR 30 CO 0.00 0.55 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.76 3ft0 s VAL 31 N 0.19 3.47 -0.47 3.82 1.01 -0.19 -1.11 120.40 127.11 3ft0 s VAL 31 Ca -0.12 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3ft0 s VAL 31 Cb -0.16 -2.58 0.09 0.00 0.00 0.00 0.00 36.38 33.73 3ft0 s VAL 31 CO 0.07 0.41 0.38 0.20 0.00 0.00 0.00 175.10 176.16 3ft0 s ASN 32 N 1.49 6.00 -0.14 3.32 0.01 0.32 -1.80 114.94 124.14 3ft0 s ASN 32 Ca 0.06 -1.51 -0.12 0.00 -0.71 0.00 0.00 52.86 50.58 3ft0 s ASN 32 Cb -0.14 -2.13 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 3ft0 s ASN 32 CO -0.03 -0.67 0.24 -0.22 -1.51 0.00 0.00 177.10 174.91 3ft0 s LEU 33 N 1.56 4.29 0.21 0.60 2.96 0.47 -0.84 118.68 127.93 3ft0 s LEU 33 Ca 0.04 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 3ft0 s LEU 33 Cb -0.25 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 3ft0 s LEU 33 CO 0.04 0.20 0.04 -0.94 -1.32 0.00 0.00 176.35 174.37 3ft0 s SER 34 N -0.02 1.23 -0.49 3.68 1.04 -0.20 -1.68 113.70 117.26 3ft0 s SER 34 Ca 0.15 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.36 3ft0 s SER 34 Cb -0.13 0.13 0.16 0.00 0.10 0.00 0.00 66.02 66.28 3ft0 s SER 34 CO 0.03 -0.62 0.34 -2.28 0.98 0.00 0.00 173.24 171.69 3ft0 s HIS 35 N -3.68 2.02 0.80 5.02 2.46 -1.21 -1.29 115.29 119.41 3ft0 s HIS 35 Ca 0.29 -2.59 -0.15 0.00 0.47 0.00 0.00 55.06 53.09 3ft0 s HIS 35 Cb 0.07 -1.72 0.01 0.00 -0.13 0.00 0.00 32.58 30.81 3ft0 s HIS 35 CO 0.08 -0.74 0.63 -2.30 -2.47 0.00 0.00 174.74 169.94 3ft0 n PRO 36 N 2.92 0.12 0.00 2.88 -0.02 -1.24 -2.33 135.00 137.33 3ft0 n PRO 36 Ca 0.19 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3ft0 n PRO 36 Cb 0.39 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3ft0 n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ft0 n GLY 37 N 1.39 -0.95 0.03 -1.23 0.00 -1.26 -3.72 105.19 99.45 3ft0 n GLY 37 Ca 0.10 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.98 3ft0 n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ft0 n ASN 38 N 0.00 0.27 -4.73 1.61 5.15 -1.26 -4.36 115.26 111.93 3ft0 n ASN 38 Ca 0.00 -1.20 -0.40 0.00 -0.60 0.00 0.00 54.58 52.37 3ft0 n ASN 38 Cb 0.00 -0.02 -0.04 0.00 -0.53 0.00 0.00 39.78 39.19 3ft0 n ASN 38 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ft0 s LEU 39 N -0.15 4.42 0.86 1.20 1.43 -1.26 -4.86 118.68 120.32 3ft0 s LEU 39 Ca 0.00 1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 54.47 3ft0 s LEU 39 Cb 0.00 -3.32 0.11 0.00 0.03 0.00 0.00 46.19 43.02 3ft0 s LEU 39 CO 0.00 -0.07 1.16 -2.16 0.23 0.00 0.00 176.35 175.51 3ft0 s PRO 40 N 0.31 1.51 0.35 1.29 0.04 -1.26 -1.40 135.00 135.84 3ft0 s PRO 40 Ca 0.42 0.17 0.08 0.00 0.04 0.00 0.00 61.00 61.72 3ft0 s PRO 40 Cb -0.20 -1.89 0.80 0.00 0.04 0.00 0.00 34.50 33.24 3ft0 s PRO 40 CO 0.24 -1.92 1.85 -0.22 0.04 0.00 0.00 177.00 176.99 3ft0 h LYS 41 N -1.29 0.69 0.00 4.56 3.64 -1.86 -1.08 116.57 121.23 3ft0 h LYS 41 Ca -0.48 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3ft0 h LYS 41 Cb 1.33 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3ft0 h LYS 41 CO 0.63 0.46 0.00 -2.95 -2.27 0.00 0.00 179.45 175.32 3ft0 h ASN 42 N 0.71 0.00 0.01 4.20 -1.07 -1.95 -1.10 115.58 116.39 3ft0 h ASN 42 Ca 0.47 0.00 -0.40 0.00 0.07 0.00 0.00 56.30 56.44 3ft0 h ASN 42 Cb 0.75 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.94 3ft0 h ASN 42 CO -0.23 0.00 -2.32 0.52 0.07 0.00 0.00 177.43 175.47 3ft0 n VAL 43 N -3.09 1.55 -2.68 6.14 0.31 -0.67 -4.80 118.33 115.09 3ft0 n VAL 43 Ca 0.02 -0.45 -0.08 0.00 -0.01 0.00 0.00 64.34 63.82 3ft0 n VAL 43 Cb 0.38 -1.70 0.06 0.00 -0.91 0.00 0.00 33.84 31.67 3ft0 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3ft0 n MET 44 N -3.79 1.18 -2.29 5.55 0.00 -0.50 -5.02 117.12 112.25 3ft0 n MET 44 Ca -0.46 -2.73 -0.37 0.00 -0.00 0.00 0.00 57.70 54.14 3ft0 n MET 44 Cb 0.93 -0.81 -0.01 0.00 0.00 0.00 0.00 33.22 33.33 3ft0 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3ft0 s GLY 45 N -2.44 2.77 0.10 -5.12 0.00 -0.42 -4.77 107.32 97.44 3ft0 s GLY 45 Ca 0.25 0.90 0.07 0.00 0.00 0.00 0.00 44.72 45.94 3ft0 s GLY 45 CO -0.01 1.35 -0.17 0.30 0.00 0.00 0.00 173.10 174.57 3ft0 s HIS 46 N -1.57 1.53 0.34 1.90 3.76 -0.45 -4.77 115.29 116.04 3ft0 s HIS 46 Ca 0.63 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 55.12 3ft0 s HIS 46 Cb -0.28 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.55 3ft0 s HIS 46 CO 0.33 0.16 0.15 0.54 -0.85 0.00 0.00 174.74 175.07 3ft0 s ASN 47 N -2.04 2.07 -0.12 1.40 2.20 -1.26 -0.31 114.94 116.87 3ft0 s ASN 47 Ca 0.05 -1.59 0.01 0.00 -0.94 0.00 0.00 52.86 50.39 3ft0 s ASN 47 Cb -0.09 0.39 0.02 0.00 -2.00 0.00 0.00 41.25 39.57 3ft0 s ASN 47 CO 0.04 -0.89 -0.15 0.86 -2.94 0.00 0.00 177.10 174.03 3ft0 s TRP 48 N -3.43 2.03 -0.02 1.54 -0.00 -1.26 -3.89 118.94 113.92 3ft0 s TRP 48 Ca 0.32 -1.02 0.02 0.00 -0.00 0.00 0.00 56.10 55.42 3ft0 s TRP 48 Cb 0.04 -1.48 0.00 0.00 -0.00 0.00 0.00 33.47 32.03 3ft0 s TRP 48 CO 0.17 -0.55 -0.07 0.08 -0.00 0.00 0.00 176.95 176.58 3ft0 s VAL 49 N 1.19 0.63 -0.07 5.86 1.01 -0.47 -0.82 120.40 127.73 3ft0 s VAL 49 Ca -0.02 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3ft0 s VAL 49 Cb -0.14 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.68 3ft0 s VAL 49 CO -0.05 0.19 -0.23 -0.22 0.00 0.00 0.00 175.10 174.79 3ft0 s LEU 50 N 0.06 2.03 0.30 3.92 2.96 -0.52 -1.39 118.68 126.04 3ft0 s LEU 50 Ca -0.01 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.33 3ft0 s LEU 50 Cb -0.06 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.33 3ft0 s LEU 50 CO -0.00 0.19 0.48 -0.94 -1.32 0.00 0.00 176.35 174.76 3ft0 s SER 51 N 0.07 0.35 0.76 3.68 1.04 -0.88 -0.23 113.70 118.49 3ft0 s SER 51 Ca -0.09 -1.21 -0.13 0.00 0.48 0.00 0.00 55.95 55.00 3ft0 s SER 51 Cb -0.15 0.63 0.06 0.00 0.10 0.00 0.00 66.02 66.65 3ft0 s SER 51 CO 0.05 -1.23 1.16 0.42 0.98 0.00 0.00 173.24 174.62 3ft0 s THR 52 N -3.48 2.56 0.26 2.02 -4.23 -1.26 -1.34 115.64 110.17 3ft0 s THR 52 Ca 0.26 0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 60.99 3ft0 s THR 52 Cb -0.00 -2.68 0.25 0.00 1.34 0.00 0.00 72.50 71.41 3ft0 s THR 52 CO 0.14 -0.18 1.84 0.00 -0.54 0.00 0.00 174.62 175.88 3ft0 h ALA 53 N -0.67 1.34 0.00 3.99 0.00 -0.88 -2.60 119.26 120.45 3ft0 h ALA 53 Ca -0.46 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3ft0 h ALA 53 Cb 1.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3ft0 h ALA 53 CO 0.49 0.24 -0.31 0.00 0.00 0.00 0.00 179.25 179.68 3ft0 h ALA 54 N 1.48 1.49 0.00 0.00 0.00 -1.92 -3.07 119.26 117.23 3ft0 h ALA 54 Ca 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ft0 h ALA 54 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ft0 h ALA 54 CO -0.23 0.38 -0.80 -0.44 0.00 0.00 0.00 179.25 178.16 3ft0 h ASP 55 N 0.00 0.00 -0.26 0.00 3.32 -1.85 -3.41 116.42 114.23 3ft0 h ASP 55 Ca -0.00 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.02 3ft0 h ASP 55 Cb 0.54 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.02 3ft0 h ASP 55 CO 0.04 0.04 -0.44 -0.03 -1.72 0.00 0.00 179.24 177.13 3ft0 h MET 56 N 0.00 -0.41 -0.76 3.56 4.05 -1.38 -2.08 114.93 117.91 3ft0 h MET 56 Ca 0.00 0.03 0.16 0.00 -0.28 0.00 0.00 59.70 59.61 3ft0 h MET 56 Cb 0.91 0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 31.69 3ft0 h MET 56 CO 0.00 -0.27 0.22 0.37 0.23 0.00 0.00 176.91 177.45 3ft0 h GLN 57 N -0.43 0.30 0.01 0.39 4.15 -1.79 -1.20 115.11 116.54 3ft0 h GLN 57 Ca 0.10 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3ft0 h GLN 57 Cb 0.61 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.23 3ft0 h GLN 57 CO -0.48 0.20 -0.01 0.78 -1.93 0.00 0.00 178.83 177.39 3ft0 h GLY 58 N 0.31 -0.02 0.32 2.39 0.00 -1.73 -1.02 103.07 103.32 3ft0 h GLY 58 Ca 0.43 0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.87 3ft0 h GLY 58 CO -0.50 -0.01 0.18 -2.08 0.00 0.00 0.00 176.54 174.14 3ft0 h VAL 59 N -0.27 0.73 0.28 4.60 2.07 -1.02 -0.28 116.25 122.36 3ft0 h VAL 59 Ca -0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3ft0 h VAL 59 Cb 0.26 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3ft0 h VAL 59 CO 0.00 0.06 -0.13 0.58 0.02 0.00 0.00 177.57 178.10 3ft0 h VAL 60 N 0.34 0.76 -0.14 2.57 2.07 -1.15 0.32 116.25 121.03 3ft0 h VAL 60 Ca 0.30 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.56 3ft0 h VAL 60 Cb 0.40 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3ft0 h VAL 60 CO -0.34 0.06 -0.05 0.74 0.02 0.00 0.00 177.57 178.01 3ft0 h THR 61 N -0.53 0.82 -0.61 2.57 2.02 -0.95 -0.06 112.91 116.18 3ft0 h THR 61 Ca -0.04 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 3ft0 h THR 61 Cb 0.39 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3ft0 h THR 61 CO 0.06 0.00 0.04 0.44 0.37 0.00 0.00 175.52 176.44 3ft0 h ASP 62 N -0.03 0.99 -0.23 4.18 3.32 -1.04 -2.60 116.42 121.01 3ft0 h ASP 62 Ca 0.07 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 56.90 3ft0 h ASP 62 Cb 0.13 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3ft0 h ASP 62 CO -0.16 1.02 0.05 1.23 -1.72 0.00 0.00 179.24 179.67 3ft0 h GLY 63 N 1.02 0.26 1.03 2.75 0.00 0.05 -0.19 103.07 107.99 3ft0 h GLY 63 Ca 0.18 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.51 3ft0 h GLY 63 CO 0.02 0.00 0.60 1.98 0.00 0.00 0.00 176.54 179.14 3ft0 h MET 64 N 0.15 1.14 -0.39 4.80 1.85 -0.92 -2.08 114.93 119.47 3ft0 h MET 64 Ca 0.10 -0.07 -0.10 0.00 -0.61 0.00 0.00 59.70 59.02 3ft0 h MET 64 Cb 0.09 -0.26 -0.02 0.00 0.43 0.00 0.00 31.60 31.85 3ft0 h MET 64 CO -0.13 0.75 -0.18 0.00 -0.40 0.00 0.00 176.91 176.95 3ft0 h ALA 65 N 1.46 0.95 -0.39 0.39 0.00 -1.14 -2.81 119.26 117.72 3ft0 h ALA 65 Ca 0.35 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3ft0 h ALA 65 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3ft0 h ALA 65 CO -0.10 0.61 0.04 1.03 0.00 0.00 0.00 179.25 180.83 3ft0 h SER 66 N 0.65 0.55 -4.50 0.00 0.87 -0.50 -3.49 113.55 107.14 3ft0 h SER 66 Ca 0.10 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3ft0 h SER 66 Cb 0.67 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3ft0 h SER 66 CO 0.05 0.60 0.00 0.61 -0.53 0.00 0.00 176.83 177.56 3ft0 n GLY 67 N -0.90 -0.31 0.36 5.77 0.00 -0.83 -4.35 105.19 104.93 3ft0 n GLY 67 Ca 0.02 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 3ft0 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ft0 h LEU 68 N 0.00 1.01 -0.78 0.99 5.85 -1.88 -1.24 115.31 119.27 3ft0 h LEU 68 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3ft0 h LEU 68 Cb 0.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.77 3ft0 h LEU 68 CO 0.00 0.78 0.00 0.44 -0.34 0.00 0.00 178.44 179.32 3ft0 h ASP 69 N 1.16 0.00 -0.65 1.25 3.32 -2.00 0.93 116.42 120.43 3ft0 h ASP 69 Ca 0.30 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 3ft0 h ASP 69 Cb -0.05 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 3ft0 h ASP 69 CO -0.06 0.00 0.13 0.29 -1.72 0.00 0.00 179.24 177.88 3ft0 n LYS 70 N -2.42 4.35 -1.86 3.56 4.76 -0.85 -4.93 118.16 120.76 3ft0 n LYS 70 Ca 0.02 -3.09 -0.19 0.00 -2.87 0.00 0.00 58.31 52.18 3ft0 n LYS 70 Cb 0.27 -2.24 -0.06 0.00 -1.84 0.00 0.00 35.03 31.16 3ft0 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3ft0 n ASP 71 N 0.27 -5.21 -2.46 4.39 9.92 0.32 -2.62 116.55 121.17 3ft0 n ASP 71 Ca 0.34 0.31 -0.19 0.00 -0.53 0.00 0.00 54.79 54.72 3ft0 n ASP 71 Cb 1.29 -4.53 0.02 0.00 -0.64 0.00 0.00 41.12 37.25 3ft0 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3ft0 n TYR 72 N -2.84 -1.45 -4.09 1.24 4.01 -0.53 -4.67 117.16 108.83 3ft0 n TYR 72 Ca -0.20 0.32 -0.18 0.00 -0.16 0.00 0.00 57.90 57.67 3ft0 n TYR 72 Cb 0.64 -3.90 -0.16 0.00 -0.31 0.00 0.00 39.34 35.61 3ft0 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ft0 s LEU 73 N -5.64 1.40 0.10 7.72 1.43 -1.08 -4.18 118.68 118.44 3ft0 s LEU 73 Ca 0.18 -0.09 -0.31 0.00 -1.03 0.00 0.00 54.13 52.88 3ft0 s LEU 73 Cb -0.08 -0.34 -0.09 0.00 0.03 0.00 0.00 46.19 45.71 3ft0 s LEU 73 CO 0.23 -0.05 1.70 -0.75 0.23 0.00 0.00 176.35 177.71 3ft0 s LYS 74 N 0.76 4.18 0.30 1.70 2.20 -1.26 -4.87 119.74 122.74 3ft0 s LYS 74 Ca -0.09 2.42 -0.28 0.00 -0.36 0.00 0.00 55.97 57.66 3ft0 s LYS 74 Cb -0.12 -3.55 -0.14 0.00 -1.51 0.00 0.00 37.83 32.51 3ft0 s LYS 74 CO -0.00 -0.76 1.07 -2.30 -0.36 0.00 0.00 175.35 173.00 3ft0 n PRO 75 N 5.44 1.50 -2.48 4.03 -0.02 -1.26 -2.39 135.00 139.82 3ft0 n PRO 75 Ca 0.16 0.53 -0.20 0.00 -2.02 0.00 0.00 63.50 61.97 3ft0 n PRO 75 Cb 0.39 -1.94 -0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3ft0 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ft0 n ASP 76 N 1.17 -5.57 -4.60 2.55 8.00 -1.26 -4.91 116.55 111.93 3ft0 n ASP 76 Ca 0.09 -0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 3ft0 n ASP 76 Cb 0.33 -4.64 -0.03 0.00 -0.02 0.00 0.00 41.12 36.76 3ft0 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ft0 s ASP 77 N -2.12 5.99 0.04 -2.24 -1.08 -1.01 -4.86 116.67 111.39 3ft0 s ASP 77 Ca 0.03 1.30 0.23 0.00 -0.52 0.00 0.00 52.55 53.59 3ft0 s ASP 77 Cb -0.02 -2.53 0.96 0.00 -1.46 0.00 0.00 42.92 39.88 3ft0 s ASP 77 CO 0.04 -1.63 1.73 -1.20 0.52 0.00 0.00 175.17 174.64 3ft0 n SER 78 N 9.93 0.11 0.24 -0.34 7.64 -1.26 -2.49 113.62 127.45 3ft0 n SER 78 Ca 0.22 0.52 0.13 0.00 1.01 0.00 0.00 58.87 60.75 3ft0 n SER 78 Cb 0.47 -0.55 0.37 0.00 -1.01 0.00 0.00 64.21 63.49 3ft0 n SER 78 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3ft0 h ARG 79 N 0.00 0.00 -6.30 1.43 3.08 -1.97 -3.43 114.38 107.18 3ft0 h ARG 79 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3ft0 h ARG 79 Cb 0.42 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 3ft0 h ARG 79 CO 0.00 0.04 0.76 0.08 -1.07 0.00 0.00 179.97 179.78 3ft0 s VAL 80 N -3.39 4.47 -0.01 2.04 1.01 -1.04 -4.50 120.40 118.98 3ft0 s VAL 80 Ca 0.04 1.38 -0.20 0.00 0.00 0.00 0.00 61.98 63.20 3ft0 s VAL 80 Cb 0.07 -4.43 -0.30 0.00 0.00 0.00 0.00 36.38 31.73 3ft0 s VAL 80 CO 0.63 -0.63 0.98 0.40 0.00 0.00 0.00 175.10 176.48 3ft0 h ILE 81 N 5.89 1.44 -3.01 2.22 2.04 -0.90 -3.48 117.51 121.71 3ft0 h ILE 81 Ca -0.22 -2.43 -0.07 0.00 1.00 0.00 0.00 64.86 63.13 3ft0 h ILE 81 Cb 1.07 2.98 -0.16 0.00 -0.74 0.00 0.00 36.82 39.97 3ft0 h ILE 81 CO 1.03 0.70 -0.07 0.00 0.00 0.00 0.00 178.15 179.82 3ft0 s ALA 82 N -2.71 -1.07 -0.06 1.87 0.00 -1.23 -5.01 121.76 113.55 3ft0 s ALA 82 Ca -0.12 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 3ft0 s ALA 82 Cb 0.02 0.39 0.08 0.00 0.00 0.00 0.00 23.12 23.62 3ft0 s ALA 82 CO 0.85 -0.49 0.75 -3.38 0.00 0.00 0.00 175.76 173.50 3ft0 s HIS 83 N -2.60 -0.57 0.69 0.00 -3.43 -1.26 -1.44 115.29 106.67 3ft0 s HIS 83 Ca -0.04 0.91 -0.02 0.00 -0.80 0.00 0.00 55.06 55.11 3ft0 s HIS 83 Cb -0.01 0.44 0.10 0.00 -1.43 0.00 0.00 32.58 31.68 3ft0 s HIS 83 CO -0.03 -0.57 0.96 0.95 -2.00 0.00 0.00 174.74 174.05 3ft0 s THR 84 N -1.46 2.29 0.88 -5.38 -4.23 0.00 -4.83 115.64 102.91 3ft0 s THR 84 Ca -0.07 -0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 59.77 3ft0 s THR 84 Cb -0.00 -2.76 0.13 0.00 1.34 0.00 0.00 72.50 71.20 3ft0 s THR 84 CO 0.05 0.00 1.22 -1.59 -0.54 0.00 0.00 174.62 173.77 3ft0 s LYS 85 N -5.10 1.39 0.02 3.99 -2.85 -1.26 -4.60 119.74 111.33 3ft0 s LYS 85 Ca 0.63 -0.06 -0.30 0.00 -1.00 0.00 0.00 55.97 55.24 3ft0 s LYS 85 Cb -0.07 -1.90 -0.03 0.00 -2.06 0.00 0.00 37.83 33.76 3ft0 s LYS 85 CO 0.43 -1.96 0.98 -1.17 0.10 0.00 0.00 175.35 173.73 3ft0 s LEU 86 N -5.74 4.39 0.11 2.77 2.96 -1.26 -4.43 118.68 117.47 3ft0 s LEU 86 Ca 0.66 1.69 0.10 0.00 -0.22 0.00 0.00 54.13 56.36 3ft0 s LEU 86 Cb -0.09 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 3ft0 s LEU 86 CO 0.51 -0.24 -0.24 0.27 -1.32 0.00 0.00 176.35 175.33 3ft0 s ILE 87 N 0.88 1.99 0.34 6.68 -4.36 0.57 -4.90 121.20 122.40 3ft0 s ILE 87 Ca 0.52 -1.62 0.03 0.00 -0.26 0.00 0.00 60.65 59.31 3ft0 s ILE 87 Cb -0.22 -1.77 0.03 0.00 1.25 0.00 0.00 42.46 41.75 3ft0 s ILE 87 CO 0.28 0.04 0.26 0.61 0.24 0.00 0.00 174.94 176.38 3ft0 n GLY 88 N 1.07 2.83 3.64 6.27 0.00 -1.26 -1.34 105.19 116.40 3ft0 n GLY 88 Ca -0.19 -2.25 -0.43 0.00 0.00 0.00 0.00 46.02 43.15 3ft0 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ft0 n SER 89 N -1.92 1.96 0.00 1.61 3.41 -0.49 -1.55 113.62 116.63 3ft0 n SER 89 Ca -0.01 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 3ft0 n SER 89 Cb 0.39 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 3ft0 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ft0 n GLY 90 N 1.01 1.08 3.99 5.00 0.00 -0.98 -4.95 105.19 110.33 3ft0 n GLY 90 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 3ft0 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ft0 s GLU 91 N -0.23 2.98 0.14 1.61 2.02 -0.60 -4.99 118.70 119.64 3ft0 s GLU 91 Ca 0.00 -0.99 -0.15 0.00 0.02 0.00 0.00 54.97 53.85 3ft0 s GLU 91 Cb 0.00 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.51 3ft0 s GLU 91 CO 0.00 -0.13 0.39 -1.59 0.02 0.00 0.00 175.26 173.95 3ft0 s LYS 92 N -4.32 1.13 0.10 1.61 -2.85 -1.26 -3.32 119.74 110.84 3ft0 s LYS 92 Ca 0.49 -0.83 -0.19 0.00 -1.00 0.00 0.00 55.97 54.44 3ft0 s LYS 92 Cb -0.10 0.46 0.05 0.00 -2.06 0.00 0.00 37.83 36.18 3ft0 s LYS 92 CO 0.33 -0.44 0.47 0.34 0.10 0.00 0.00 175.35 176.14 3ft0 s ASP 93 N -2.85 -0.35 0.09 0.03 2.15 -0.68 -5.03 116.67 110.04 3ft0 s ASP 93 Ca 0.06 -0.11 0.05 0.00 0.43 0.00 0.00 52.55 52.99 3ft0 s ASP 93 Cb 0.02 0.50 -0.03 0.00 -0.30 0.00 0.00 42.92 43.10 3ft0 s ASP 93 CO -0.08 -0.82 -0.14 -0.55 -0.17 0.00 0.00 175.17 173.40 3ft0 s SER 94 N -2.51 1.82 -0.01 -0.34 0.15 -1.26 -0.39 113.70 111.15 3ft0 s SER 94 Ca -0.00 -0.69 0.02 0.00 0.70 0.00 0.00 55.95 55.97 3ft0 s SER 94 Cb 0.00 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 3ft0 s SER 94 CO -0.09 -0.10 -0.05 0.54 1.20 0.00 0.00 173.24 174.74 3ft0 s VAL 95 N -1.60 0.46 -0.09 4.45 0.11 -0.74 -4.87 120.40 118.10 3ft0 s VAL 95 Ca 0.02 -0.22 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 3ft0 s VAL 95 Cb -0.08 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 3ft0 s VAL 95 CO 0.02 0.14 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.82 3ft0 s THR 96 N 0.06 1.93 0.16 5.04 2.01 -1.26 -1.03 115.64 122.55 3ft0 s THR 96 Ca -0.00 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.11 3ft0 s THR 96 Cb -0.04 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 3ft0 s THR 96 CO -0.00 0.53 -0.13 0.72 -0.69 0.00 0.00 174.62 175.06 3ft0 s PHE 97 N 0.36 1.44 -0.17 4.92 -0.12 -0.09 -4.93 117.98 119.39 3ft0 s PHE 97 Ca -0.18 -0.65 -0.29 0.00 -0.05 0.00 0.00 56.93 55.77 3ft0 s PHE 97 Cb -0.17 -0.71 -0.02 0.00 -0.63 0.00 0.00 43.02 41.48 3ft0 s PHE 97 CO 0.08 0.19 1.40 0.34 -0.05 0.00 0.00 175.22 177.18 3ft0 s ASP 98 N -3.03 6.76 0.51 1.98 2.15 -1.26 -1.19 116.67 122.59 3ft0 s ASP 98 Ca 0.16 1.72 0.25 0.00 0.43 0.00 0.00 52.55 55.12 3ft0 s ASP 98 Cb -0.00 -2.54 1.35 0.00 -0.30 0.00 0.00 42.92 41.43 3ft0 s ASP 98 CO 0.03 -0.92 2.05 0.58 -0.17 0.00 0.00 175.17 176.74 3ft0 h VAL 99 N 5.68 0.67 0.00 1.11 2.07 -1.61 -1.56 116.25 122.61 3ft0 h VAL 99 Ca -0.30 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3ft0 h VAL 99 Cb 1.12 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3ft0 h VAL 99 CO 0.98 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 177.17 3ft0 n SER 100 N -3.75 0.24 0.00 0.57 3.41 -1.26 -2.06 113.62 110.77 3ft0 n SER 100 Ca -0.02 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 3ft0 n SER 100 Cb 0.25 -0.63 0.46 0.00 -0.26 0.00 0.00 64.21 64.03 3ft0 n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ft0 n LYS 101 N -1.80 0.01 -3.50 4.33 5.02 -0.59 -4.58 118.16 117.06 3ft0 n LYS 101 Ca 0.01 0.13 -0.40 0.00 -2.02 0.00 0.00 58.31 56.04 3ft0 n LYS 101 Cb 0.10 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 3ft0 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ft0 s LEU 102 N -2.98 4.33 0.10 -0.35 1.43 -0.87 -5.08 118.68 115.26 3ft0 s LEU 102 Ca 0.11 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3ft0 s LEU 102 Cb 0.14 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3ft0 s LEU 102 CO 0.38 -0.21 0.25 -0.54 0.23 0.00 0.00 176.35 176.46 3ft0 s LYS 103 N 1.84 3.45 0.32 1.70 3.01 -1.26 -5.07 119.74 123.74 3ft0 s LYS 103 Ca 0.09 -0.49 -0.29 0.00 -1.01 0.00 0.00 55.97 54.27 3ft0 s LYS 103 Cb -0.17 -3.00 -0.11 0.00 -1.01 0.00 0.00 37.83 33.54 3ft0 s LYS 103 CO 0.11 0.57 1.50 -1.21 0.51 0.00 0.00 175.35 176.83 3ft0 s GLU 104 N -2.81 4.16 0.00 1.68 8.01 -1.26 -2.91 118.70 125.57 3ft0 s GLU 104 Ca 0.35 2.51 0.00 0.00 0.01 0.00 0.00 54.97 57.84 3ft0 s GLU 104 Cb -0.12 -3.02 0.00 0.00 -4.31 0.00 0.00 34.13 26.68 3ft0 s GLU 104 CO 0.28 -0.52 0.00 0.41 0.01 0.00 0.00 175.26 175.44 3ft0 n GLY 105 N 1.37 3.08 3.78 -1.39 0.00 -1.26 -5.01 105.19 105.76 3ft0 n GLY 105 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3ft0 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ft0 s GLU 106 N -0.24 3.98 -0.22 1.61 2.56 -1.15 -5.04 118.70 120.21 3ft0 s GLU 106 Ca 0.00 1.56 -0.09 0.00 0.00 0.00 0.00 54.97 56.44 3ft0 s GLU 106 Cb 0.00 -2.43 -0.04 0.00 2.00 0.00 0.00 34.13 33.66 3ft0 s GLU 106 CO 0.00 -0.31 0.11 -0.65 -0.56 0.00 0.00 175.26 173.85 3ft0 s GLN 107 N -2.68 4.00 0.08 4.30 -1.52 -1.26 -4.95 119.66 117.64 3ft0 s GLN 107 Ca 0.61 -0.31 0.06 0.00 -1.95 0.00 0.00 55.36 53.77 3ft0 s GLN 107 Cb -0.23 -3.38 -0.04 0.00 -0.22 0.00 0.00 33.01 29.14 3ft0 s GLN 107 CO 0.28 0.14 -0.09 0.71 -0.25 0.00 0.00 175.29 176.08 3ft0 s TYR 108 N 0.78 2.77 0.00 0.91 2.02 -1.25 -0.21 117.35 122.37 3ft0 s TYR 108 Ca 0.06 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.65 3ft0 s TYR 108 Cb -0.13 -1.48 -0.01 0.00 -0.40 0.00 0.00 41.96 39.94 3ft0 s TYR 108 CO 0.02 0.40 -0.09 -1.64 -1.57 0.00 0.00 175.55 172.67 3ft0 s MET 109 N -2.00 0.71 0.22 -0.62 -1.94 -0.45 -1.80 119.30 113.43 3ft0 s MET 109 Ca 0.20 -0.38 0.07 0.00 -1.71 0.00 0.00 55.69 53.87 3ft0 s MET 109 Cb -0.11 -0.68 -0.04 0.00 2.01 0.00 0.00 34.83 36.01 3ft0 s MET 109 CO 0.12 0.18 0.14 -0.59 -0.01 0.00 0.00 175.02 174.87 3ft0 s PHE 110 N -0.34 3.06 -0.03 -0.03 -0.12 -0.03 -2.07 117.98 118.43 3ft0 s PHE 110 Ca 0.02 -0.10 -0.30 0.00 -0.05 0.00 0.00 56.93 56.51 3ft0 s PHE 110 Cb -0.04 -1.41 0.11 0.00 -0.63 0.00 0.00 43.02 41.05 3ft0 s PHE 110 CO -0.00 0.53 1.01 -0.59 -0.05 0.00 0.00 175.22 176.12 3ft0 s PHE 111 N -2.02 -0.24 -0.13 3.49 -0.12 -0.49 -1.00 117.98 117.48 3ft0 s PHE 111 Ca 0.32 0.10 -0.17 0.00 -0.05 0.00 0.00 56.93 57.13 3ft0 s PHE 111 Cb -0.08 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 3ft0 s PHE 111 CO 0.23 -0.48 0.43 0.00 -0.05 0.00 0.00 175.22 175.35 3ft0 n ALA 113 N 3.61 2.53 -1.65 0.00 0.00 -1.26 -3.58 120.51 120.15 3ft0 n ALA 113 Ca -0.08 -0.45 -0.35 0.00 0.00 0.00 0.00 53.44 52.55 3ft0 n ALA 113 Cb 0.52 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.89 3ft0 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ft0 s ALA 114 N -1.82 2.48 -0.31 0.00 0.00 -1.26 -4.34 121.76 116.51 3ft0 s ALA 114 Ca 0.31 0.89 -0.39 0.00 0.00 0.00 0.00 51.96 52.77 3ft0 s ALA 114 Cb 0.16 -3.42 -0.15 0.00 0.00 0.00 0.00 23.12 19.71 3ft0 s ALA 114 CO 0.25 -1.24 1.91 0.00 0.00 0.00 0.00 175.76 176.67 3ft0 n ALA 115 N -1.86 0.23 -0.80 0.00 0.00 -1.26 -1.71 120.51 115.11 3ft0 n ALA 115 Ca 0.13 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3ft0 n ALA 115 Cb 0.50 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3ft0 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ft0 n ALA 116 N 6.82 0.00 -0.09 0.00 0.00 -1.26 -4.89 120.51 121.09 3ft0 n ALA 116 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.62 3ft0 n ALA 116 Cb 0.15 -0.62 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 3ft0 n ALA 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ft0 h HIS 117 N 0.00 1.05 -0.34 0.00 -0.00 -1.61 -2.38 115.15 111.88 3ft0 h HIS 117 Ca 0.00 -0.36 -0.12 0.00 -0.00 0.00 0.00 60.37 59.90 3ft0 h HIS 117 Cb 0.15 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 3ft0 h HIS 117 CO 0.10 1.18 -0.26 0.00 -0.00 0.00 0.00 177.93 178.94 3ft0 h ALA 118 N 0.69 0.91 -0.68 2.45 0.00 -1.75 -1.78 119.26 119.09 3ft0 h ALA 118 Ca 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3ft0 h ALA 118 Cb 1.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3ft0 h ALA 118 CO 0.11 0.62 0.28 0.00 0.00 0.00 0.00 179.25 180.26 3ft0 h ALA 119 N 1.11 1.20 0.00 0.00 0.00 -1.89 -0.71 119.26 118.97 3ft0 h ALA 119 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ft0 h ALA 119 Cb 0.75 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ft0 h ALA 119 CO 0.06 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3ft0 n ALA 120 N -2.44 2.23 -0.80 0.00 0.00 -0.86 -4.85 120.51 113.79 3ft0 n ALA 120 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3ft0 n ALA 120 Cb 0.17 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3ft0 n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ft0 n ALA 121 N -0.68 0.00 -2.06 0.00 0.00 -0.27 -4.96 120.51 112.53 3ft0 n ALA 121 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 3ft0 n ALA 121 Cb 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 3ft0 n ALA 121 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ft0 n MET 122 N -2.46 2.73 -3.53 0.00 2.00 -0.73 -4.79 117.12 110.35 3ft0 n MET 122 Ca 0.00 -2.80 -0.09 0.00 0.00 0.00 0.00 57.70 54.81 3ft0 n MET 122 Cb 0.05 -3.39 -0.02 0.00 0.00 0.00 0.00 33.22 29.86 3ft0 n MET 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 3ft0 s LYS 123 N 4.15 1.11 0.10 0.03 -2.85 -1.26 -1.58 119.74 119.44 3ft0 s LYS 123 Ca 0.53 -0.46 -0.13 0.00 -1.00 0.00 0.00 55.97 54.91 3ft0 s LYS 123 Cb 0.08 0.48 0.05 0.00 -2.06 0.00 0.00 37.83 36.38 3ft0 s LYS 123 CO 0.03 -0.49 0.63 0.41 0.10 0.00 0.00 175.35 176.03 3ft0 n GLY 124 N -0.34 0.84 3.87 0.59 0.00 -0.17 -4.63 105.19 105.36 3ft0 n GLY 124 Ca -0.11 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 3ft0 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ft0 s THR 125 N -2.25 4.93 -0.12 2.61 -4.23 -0.76 -0.85 115.64 114.97 3ft0 s THR 125 Ca 0.14 0.48 0.02 0.00 -1.18 0.00 0.00 61.69 61.16 3ft0 s THR 125 Cb -0.02 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.22 3ft0 s THR 125 CO 0.03 -0.07 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.64 3ft0 s LEU 126 N -2.80 1.90 -0.07 4.79 0.20 -0.75 -1.01 118.68 120.93 3ft0 s LEU 126 Ca 0.47 -0.50 0.00 0.00 0.69 0.00 0.00 54.13 54.79 3ft0 s LEU 126 Cb -0.11 -1.24 0.02 0.00 -0.43 0.00 0.00 46.19 44.42 3ft0 s LEU 126 CO 0.21 0.05 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.37 3ft0 s THR 127 N 0.87 0.80 0.09 3.68 2.01 -0.67 -3.86 115.64 118.55 3ft0 s THR 127 Ca -0.08 -0.21 -0.31 0.00 0.31 0.00 0.00 61.69 61.40 3ft0 s THR 127 Cb -0.15 -0.81 -0.08 0.00 0.01 0.00 0.00 72.50 71.46 3ft0 s THR 127 CO -0.01 0.31 1.62 -0.76 -0.69 0.00 0.00 174.62 175.09 3ft0 s LEU 128 N 1.28 4.36 0.00 4.42 1.43 -1.26 -0.70 118.68 128.22 3ft0 s LEU 128 Ca -0.04 2.49 0.03 0.00 -1.03 0.00 0.00 54.13 55.58 3ft0 s LEU 128 Cb -0.14 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.54 3ft0 s LEU 128 CO -0.02 -0.86 0.59 0.29 0.23 0.00 0.00 176.35 176.57