#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocu h PRO 32 N 0.00 0.72 -6.65 3.49 0.11 -2.08 -3.44 132.00 124.15 1ocu h PRO 32 Ca 0.00 -0.21 -0.51 0.00 0.11 0.00 0.00 66.00 65.39 1ocu h PRO 32 Cb 0.00 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 1ocu h PRO 32 CO 0.00 0.77 0.24 -2.00 -0.21 0.00 0.00 178.00 176.80 1ocu s GLU 33 N -4.87 4.60 0.22 1.05 2.56 -1.26 -5.05 118.70 115.96 1ocu s GLU 33 Ca -0.09 1.23 -0.24 0.00 0.00 0.00 0.00 54.97 55.87 1ocu s GLU 33 Cb 0.14 -3.14 -0.09 0.00 2.00 0.00 0.00 34.13 33.05 1ocu s GLU 33 CO 0.81 0.49 0.81 -0.80 -0.56 0.00 0.00 175.26 176.01 1ocu s ASN 34 N -1.30 7.31 0.18 -1.70 0.02 -1.26 -4.99 114.94 113.20 1ocu s ASN 34 Ca 0.40 1.65 -0.11 0.00 -1.02 0.00 0.00 52.86 53.79 1ocu s ASN 34 Cb -0.22 -2.50 -0.00 0.00 0.02 0.00 0.00 41.25 38.54 1ocu s ASN 34 CO 0.27 0.09 0.35 0.72 0.02 0.00 0.00 177.10 178.55 1ocu s PHE 35 N -1.36 0.32 -0.30 2.20 -0.12 -1.26 -5.04 117.98 112.42 1ocu s PHE 35 Ca 0.41 -0.68 -0.09 0.00 -0.05 0.00 0.00 56.93 56.53 1ocu s PHE 35 Cb -0.21 0.04 0.15 0.00 -0.63 0.00 0.00 43.02 42.38 1ocu s PHE 35 CO 0.25 -0.79 0.71 -1.17 -0.05 0.00 0.00 175.22 174.16 1ocu s LEU 36 N -2.96 -1.09 -0.06 -1.99 0.20 -1.26 -2.96 118.68 108.56 1ocu s LEU 36 Ca 0.17 1.23 0.03 0.00 0.69 0.00 0.00 54.13 56.25 1ocu s LEU 36 Cb 0.02 2.13 -0.03 0.00 -0.43 0.00 0.00 46.19 47.89 1ocu s LEU 36 CO 0.01 -0.21 -0.14 -1.61 -0.29 0.00 0.00 176.35 174.12 1ocu s GLU 37 N 2.83 2.58 -0.01 1.98 2.02 -0.18 -4.99 118.70 122.93 1ocu s GLU 37 Ca 0.02 -0.69 -0.12 0.00 0.02 0.00 0.00 54.97 54.20 1ocu s GLU 37 Cb -0.12 -2.41 0.01 0.00 0.10 0.00 0.00 34.13 31.72 1ocu s GLU 37 CO -0.19 0.60 0.24 -1.50 0.02 0.00 0.00 175.26 174.43 1ocu s ILE 38 N -0.66 0.07 -0.04 -1.63 2.07 -1.26 -1.02 121.20 118.73 1ocu s ILE 38 Ca 0.10 -0.57 -0.23 0.00 -1.41 0.00 0.00 60.65 58.54 1ocu s ILE 38 Cb -0.11 -0.55 0.05 0.00 0.13 0.00 0.00 42.46 41.98 1ocu s ILE 38 CO 0.01 -0.31 0.50 -0.70 -1.91 0.00 0.00 174.94 172.53 1ocu s GLU 39 N -1.38 0.86 -0.19 3.50 2.12 -0.11 -4.84 118.70 118.67 1ocu s GLU 39 Ca -0.14 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.25 1ocu s GLU 39 Cb -0.06 0.40 0.03 0.00 0.26 0.00 0.00 34.13 34.75 1ocu s GLU 39 CO 0.03 -0.26 -0.18 0.08 -0.54 0.00 0.00 175.26 174.40 1ocu s VAL 40 N -1.23 1.99 0.00 3.70 1.01 -1.26 -0.99 120.40 123.62 1ocu s VAL 40 Ca -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1ocu s VAL 40 Cb -0.03 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1ocu s VAL 40 CO 0.07 0.45 0.00 0.00 0.00 0.00 0.00 175.10 175.62 1ocu n HIS 41 N 4.62 -0.62 -3.58 5.22 -0.00 -0.50 -4.62 115.22 115.75 1ocu n HIS 41 Ca -0.19 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.28 1ocu n HIS 41 Cb 0.49 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.51 1ocu n HIS 41 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1ocu n ASN 42 N -0.88 -5.74 -4.77 4.39 4.05 -1.26 -0.90 115.26 110.14 1ocu n ASN 42 Ca 0.00 -0.84 -0.38 0.00 0.45 0.00 0.00 54.58 53.81 1ocu n ASN 42 Cb 0.00 -3.51 -0.03 0.00 1.23 0.00 0.00 39.78 37.48 1ocu n ASN 42 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 1ocu s PRO 43 N -5.24 4.12 -0.07 1.20 0.02 -1.26 -3.75 135.00 130.02 1ocu s PRO 43 Ca 0.32 1.73 -0.05 0.00 0.02 0.00 0.00 61.00 63.03 1ocu s PRO 43 Cb -0.11 -2.66 0.03 0.00 0.02 0.00 0.00 34.50 31.77 1ocu s PRO 43 CO 0.84 -0.23 0.16 0.15 -0.33 0.00 0.00 177.00 177.60 1ocu s LYS 44 N -2.31 0.16 -0.15 5.54 1.02 -0.91 -5.00 119.74 118.08 1ocu s LYS 44 Ca 0.57 0.30 -0.04 0.00 0.02 0.00 0.00 55.97 56.82 1ocu s LYS 44 Cb -0.28 -0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 36.98 1ocu s LYS 44 CO 0.35 -0.08 -0.01 0.99 -0.92 0.00 0.00 175.35 175.68 1ocu s THR 45 N 0.57 4.13 0.21 2.17 2.01 -1.26 -1.29 115.64 122.17 1ocu s THR 45 Ca -0.04 -0.28 0.09 0.00 0.31 0.00 0.00 61.69 61.78 1ocu s THR 45 Cb -0.05 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1ocu s THR 45 CO -0.03 0.50 -0.08 -1.00 -0.69 0.00 0.00 174.62 173.32 1ocu s HIS 46 N 0.25 2.63 -0.62 4.92 0.09 0.96 -4.97 115.29 118.55 1ocu s HIS 46 Ca -0.01 -0.23 0.02 0.00 -0.00 0.00 0.00 55.06 54.85 1ocu s HIS 46 Cb -0.13 -1.25 0.15 0.00 -0.00 0.00 0.00 32.58 31.35 1ocu s HIS 46 CO 0.02 0.55 0.40 0.42 -0.00 0.00 0.00 174.74 176.13 1ocu s ILE 47 N -1.89 3.04 0.22 0.60 -1.09 -1.26 -2.70 121.20 118.11 1ocu s ILE 47 Ca 0.27 -3.55 -0.16 0.00 -2.23 0.00 0.00 60.65 54.97 1ocu s ILE 47 Cb -0.08 -3.03 0.23 0.00 -1.58 0.00 0.00 42.46 38.00 1ocu s ILE 47 CO 0.16 -0.89 1.59 1.55 -1.23 0.00 0.00 174.94 176.12 1ocu h PRO 48 N 6.27 -0.07 -0.14 2.79 0.13 -1.83 0.13 132.00 139.29 1ocu h PRO 48 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1ocu h PRO 48 Cb 0.86 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ocu h PRO 48 CO 0.72 -0.04 0.00 0.27 -0.23 0.00 0.00 178.00 178.71 1ocu n ASN 49 N -5.47 0.90 0.00 1.44 0.23 -1.26 -4.89 115.26 106.21 1ocu n ASN 49 Ca 0.08 -1.81 0.00 0.00 -0.53 0.00 0.00 54.58 52.32 1ocu n ASN 49 Cb 0.38 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1ocu n ASN 49 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ocu n GLY 50 N 0.86 0.00 0.24 4.83 0.00 0.46 -4.59 105.19 106.98 1ocu n GLY 50 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1ocu n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ocu n MET 51 N -1.71 0.52 -4.54 1.61 2.81 -1.26 -5.05 117.12 109.49 1ocu n MET 51 Ca 0.00 0.22 -0.26 0.00 -1.81 0.00 0.00 57.70 55.86 1ocu n MET 51 Cb 0.00 -1.37 -0.09 0.00 -0.71 0.00 0.00 33.22 31.05 1ocu n MET 51 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1ocu s ASP 52 N -7.08 2.93 0.00 7.83 1.47 -1.26 -5.05 116.67 115.51 1ocu s ASP 52 Ca -0.33 -1.59 0.24 0.00 1.18 0.00 0.00 52.55 52.05 1ocu s ASP 52 Cb 0.12 0.33 1.31 0.00 -0.34 0.00 0.00 42.92 44.34 1ocu s ASP 52 CO 0.43 -0.82 1.80 -1.54 0.68 0.00 0.00 175.17 175.71 1ocu n SER 53 N -1.13 0.00 -4.64 2.11 3.41 -1.26 -4.64 113.62 107.47 1ocu n SER 53 Ca -0.07 -0.37 -0.44 0.00 -0.26 0.00 0.00 58.87 57.73 1ocu n SER 53 Cb 0.66 -0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1ocu n SER 53 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ocu n LYS 54 N -1.16 2.48 -0.76 4.33 4.81 -1.26 -1.01 118.16 125.59 1ocu n LYS 54 Ca 0.14 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 1ocu n LYS 54 Cb 0.14 -2.97 0.00 0.00 0.02 0.00 0.00 35.03 32.22 1ocu n LYS 54 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ocu n GLY 55 N 4.86 0.57 3.71 3.14 0.00 -1.26 -4.56 105.19 111.65 1ocu n GLY 55 Ca 0.23 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1ocu n GLY 55 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ocu s MET 56 N -0.87 4.14 0.16 1.61 1.75 -0.18 -4.57 119.30 121.34 1ocu s MET 56 Ca 0.00 2.56 -0.14 0.00 -1.25 0.00 0.00 55.69 56.86 1ocu s MET 56 Cb 0.00 -3.27 0.02 0.00 2.84 0.00 0.00 34.83 34.42 1ocu s MET 56 CO 0.00 -0.76 0.41 -0.59 -0.65 0.00 0.00 175.02 173.42 1ocu s PHE 57 N 1.72 0.01 0.04 4.11 -0.12 -1.10 -5.00 117.98 117.64 1ocu s PHE 57 Ca 0.76 -0.36 0.08 0.00 -0.05 0.00 0.00 56.93 57.36 1ocu s PHE 57 Cb -0.47 0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 1ocu s PHE 57 CO 0.33 -0.78 -0.23 0.95 -0.05 0.00 0.00 175.22 175.43 1ocu s THR 58 N -3.88 1.88 0.44 -4.49 -4.23 -1.26 -0.03 115.64 104.07 1ocu s THR 58 Ca 0.09 -1.25 0.03 0.00 -1.18 0.00 0.00 61.69 59.39 1ocu s THR 58 Cb 0.01 -1.61 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 1ocu s THR 58 CO -0.05 0.31 0.06 1.51 -0.54 0.00 0.00 174.62 175.91 1ocu s ASP 59 N -1.12 3.33 0.05 3.99 1.47 -0.41 -4.39 116.67 119.59 1ocu s ASP 59 Ca 0.09 -1.60 0.02 0.00 1.18 0.00 0.00 52.55 52.24 1ocu s ASP 59 Cb -0.09 0.36 -0.03 0.00 -0.34 0.00 0.00 42.92 42.82 1ocu s ASP 59 CO 0.02 -0.82 -0.08 -0.31 0.68 0.00 0.00 175.17 174.65 1ocu s TYR 60 N -3.05 0.74 -0.07 2.11 1.51 0.86 -2.15 117.35 117.30 1ocu s TYR 60 Ca 0.20 -0.54 -0.17 0.00 -1.01 0.00 0.00 57.07 55.55 1ocu s TYR 60 Cb 0.04 -0.44 -0.05 0.00 -0.11 0.00 0.00 41.96 41.40 1ocu s TYR 60 CO 0.11 -0.08 0.44 -2.00 -1.11 0.00 0.00 175.55 172.91 1ocu s GLU 61 N -1.83 4.18 -0.25 -0.62 2.12 -0.08 -0.36 118.70 121.87 1ocu s GLU 61 Ca -0.07 0.43 -0.04 0.00 0.36 0.00 0.00 54.97 55.65 1ocu s GLU 61 Cb -0.08 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.96 1ocu s GLU 61 CO 0.00 0.38 -0.01 0.42 -0.54 0.00 0.00 175.26 175.51 1ocu s ILE 62 N -0.10 3.46 -0.13 -3.70 1.09 0.45 -1.40 121.20 120.86 1ocu s ILE 62 Ca 0.25 -0.63 -0.01 0.00 -1.10 0.00 0.00 60.65 59.15 1ocu s ILE 62 Cb -0.16 -2.67 -0.02 0.00 -1.06 0.00 0.00 42.46 38.56 1ocu s ILE 62 CO 0.11 0.29 -0.09 -0.51 -0.10 0.00 0.00 174.94 174.64 1ocu s ILE 63 N 1.46 3.39 -0.02 2.92 -1.16 -0.16 -1.80 121.20 125.84 1ocu s ILE 63 Ca 0.04 -0.54 -0.01 0.00 -0.51 0.00 0.00 60.65 59.63 1ocu s ILE 63 Cb -0.15 -2.45 0.01 0.00 0.61 0.00 0.00 42.46 40.48 1ocu s ILE 63 CO -0.02 0.52 0.04 0.00 -2.81 0.00 0.00 174.94 172.67 1ocu s ARG 65 N 0.23 2.33 0.26 0.00 0.52 -0.19 -0.94 118.95 121.17 1ocu s ARG 65 Ca -0.02 -0.65 -0.18 0.00 -0.52 0.00 0.00 55.73 54.36 1ocu s ARG 65 Cb -0.03 -1.83 0.02 0.00 0.52 0.00 0.00 34.95 33.63 1ocu s ARG 65 CO -0.01 0.12 0.63 -0.08 0.02 0.00 0.00 175.30 175.98 1ocu s THR 66 N 0.46 0.00 0.00 0.02 -1.32 0.38 -1.01 115.64 114.17 1ocu s THR 66 Ca -0.16 -1.06 0.00 0.00 -1.21 0.00 0.00 61.69 59.27 1ocu s THR 66 Cb -0.16 -1.98 0.00 0.00 -1.51 0.00 0.00 72.50 68.85 1ocu s THR 66 CO 0.06 -0.01 0.59 -0.46 -2.21 0.00 0.00 174.62 172.58 1ocu n ASN 67 N -0.42 0.43 -4.76 8.08 6.94 -1.16 -4.31 115.26 120.06 1ocu n ASN 67 Ca -0.04 -1.21 -0.41 0.00 -0.02 0.00 0.00 54.58 52.89 1ocu n ASN 67 Cb 0.60 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 38.02 1ocu n ASN 67 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ocu n LEU 68 N -0.11 4.54 0.27 -4.53 4.77 -1.26 -4.88 117.00 115.81 1ocu n LEU 68 Ca 0.00 1.21 0.18 0.00 -0.03 0.00 0.00 56.01 57.36 1ocu n LEU 68 Cb 0.43 -1.60 0.94 0.00 -2.33 0.00 0.00 43.42 40.86 1ocu n LEU 68 CO 0.00 0.08 1.04 1.55 -1.33 0.00 0.00 177.39 178.73 1ocu h PRO 69 N 3.34 0.00 0.00 3.23 0.13 -1.98 -2.63 132.00 134.10 1ocu h PRO 69 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ocu h PRO 69 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ocu h PRO 69 CO 0.67 0.00 -0.48 -1.13 -0.23 0.00 0.00 178.00 176.83 1ocu n SER 70 N -2.72 0.50 -4.94 1.44 3.41 -1.26 -4.88 113.62 105.16 1ocu n SER 70 Ca -0.02 -0.08 -0.24 0.00 -0.26 0.00 0.00 58.87 58.27 1ocu n SER 70 Cb 0.07 0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1ocu n SER 70 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ocu s PHE 71 N -3.04 3.40 -1.13 7.33 0.40 -0.99 -4.97 117.98 118.97 1ocu s PHE 71 Ca 0.10 0.32 0.13 0.00 -0.60 0.00 0.00 56.93 56.88 1ocu s PHE 71 Cb 0.17 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 1ocu s PHE 71 CO 0.69 -0.06 0.72 0.72 0.70 0.00 0.00 175.22 177.98 1ocu n HIS 72 N -1.91 0.00 -3.70 0.36 8.25 -1.26 -4.95 115.22 112.02 1ocu n HIS 72 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 1ocu n HIS 72 Cb 0.57 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.62 1ocu n HIS 72 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1ocu s LYS 73 N -1.59 0.95 -0.01 -0.41 -2.85 -1.26 -5.08 119.74 109.50 1ocu s LYS 73 Ca 0.10 -0.63 -0.25 0.00 -1.00 0.00 0.00 55.97 54.19 1ocu s LYS 73 Cb 0.10 0.42 -0.19 0.00 -2.06 0.00 0.00 37.83 36.09 1ocu s LYS 73 CO 0.32 -0.34 1.32 -0.09 0.10 0.00 0.00 175.35 176.66 1ocu h ARG 74 N 2.72 0.02 -5.59 1.78 2.43 -1.95 -3.43 114.38 110.36 1ocu h ARG 74 Ca -0.33 -0.01 -0.67 0.00 -0.81 0.00 0.00 59.98 58.16 1ocu h ARG 74 Cb 1.23 -0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 30.49 1ocu h ARG 74 CO 0.47 0.45 -0.81 0.08 -1.51 0.00 0.00 179.97 178.65 1ocu s VAL 75 N -4.47 2.67 0.00 0.20 1.01 -1.26 -0.47 120.40 118.09 1ocu s VAL 75 Ca -0.16 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.06 1ocu s VAL 75 Cb 0.02 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1ocu s VAL 75 CO 0.68 0.55 -0.17 -0.44 0.00 0.00 0.00 175.10 175.71 1ocu s SER 76 N 0.10 2.06 -0.17 3.32 0.01 -0.11 -5.01 113.70 113.91 1ocu s SER 76 Ca -0.08 -0.37 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 1ocu s SER 76 Cb -0.15 -0.21 0.07 0.00 0.21 0.00 0.00 66.02 65.94 1ocu s SER 76 CO 0.05 0.18 0.15 -0.75 0.41 0.00 0.00 173.24 173.28 1ocu s LYS 77 N -0.65 0.10 0.25 12.44 2.20 -1.26 -1.38 119.74 131.44 1ocu s LYS 77 Ca 0.06 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.83 1ocu s LYS 77 Cb -0.07 -1.31 -0.05 0.00 -1.51 0.00 0.00 37.83 34.89 1ocu s LYS 77 CO 0.00 -0.60 0.08 0.14 -0.36 0.00 0.00 175.35 174.62 1ocu s VAL 78 N 2.24 0.61 -0.03 4.02 -7.23 -0.74 -4.97 120.40 114.29 1ocu s VAL 78 Ca 0.04 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 1ocu s VAL 78 Cb -0.15 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 1ocu s VAL 78 CO -0.10 -0.05 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.30 1ocu s ARG 79 N -4.01 2.23 -0.11 4.82 0.52 -1.26 -0.41 118.95 120.72 1ocu s ARG 79 Ca 0.36 -0.86 -0.08 0.00 -0.52 0.00 0.00 55.73 54.63 1ocu s ARG 79 Cb 0.08 -2.15 0.03 0.00 0.52 0.00 0.00 34.95 33.43 1ocu s ARG 79 CO 0.13 0.58 0.28 1.03 0.02 0.00 0.00 175.30 177.33 1ocu s ARG 80 N -0.70 0.29 0.45 3.54 1.81 0.52 -4.89 118.95 119.97 1ocu s ARG 80 Ca 0.11 0.45 0.03 0.00 -1.72 0.00 0.00 55.73 54.60 1ocu s ARG 80 Cb -0.10 0.06 0.01 0.00 -0.45 0.00 0.00 34.95 34.47 1ocu s ARG 80 CO -0.00 -0.08 0.64 -0.98 -0.68 0.00 0.00 175.30 174.20 1ocu s ARG 81 N 0.55 2.89 0.19 3.54 1.70 -1.26 -0.10 118.95 126.46 1ocu s ARG 81 Ca -0.03 -0.80 -0.13 0.00 -0.47 0.00 0.00 55.73 54.30 1ocu s ARG 81 Cb -0.05 -2.62 0.21 0.00 -0.57 0.00 0.00 34.95 31.92 1ocu s ARG 81 CO -0.03 -0.33 1.66 -0.92 -1.08 0.00 0.00 175.30 174.60 1ocu h TYR 82 N 0.44 -0.12 0.00 5.89 5.03 -1.97 0.17 116.97 126.40 1ocu h TYR 82 Ca -0.44 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 60.91 1ocu h TYR 82 Cb 1.27 0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.69 1ocu h TYR 82 CO 0.41 -0.17 -0.00 0.66 -1.32 0.00 0.00 178.16 177.75 1ocu h SER 83 N 0.07 0.00 -0.15 -2.11 4.64 -1.95 0.12 113.55 114.18 1ocu h SER 83 Ca 0.27 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.42 1ocu h SER 83 Cb 0.42 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1ocu h SER 83 CO -0.49 0.00 -0.56 0.44 -0.87 0.00 0.00 176.83 175.35 1ocu h ASP 84 N 0.00 0.74 -0.69 4.97 3.32 -1.04 -2.11 116.42 121.60 1ocu h ASP 84 Ca -0.00 -0.62 -0.02 0.00 0.02 0.00 0.00 57.03 56.42 1ocu h ASP 84 Cb 0.08 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1ocu h ASP 84 CO 0.00 1.23 0.37 -0.26 -1.72 0.00 0.00 179.24 178.87 1ocu h PHE 85 N 0.30 0.96 -0.38 4.55 0.04 -0.42 -0.33 116.94 121.65 1ocu h PHE 85 Ca -0.03 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1ocu h PHE 85 Cb 1.19 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 1ocu h PHE 85 CO 0.10 0.69 0.18 0.93 -0.60 0.00 0.00 178.31 179.61 1ocu h GLU 86 N 0.96 0.55 -0.68 1.51 5.08 -1.11 -1.25 114.58 119.64 1ocu h GLU 86 Ca 0.24 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1ocu h GLU 86 Cb 0.05 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1ocu h GLU 86 CO -0.04 0.49 0.16 0.35 -1.00 0.00 0.00 179.01 178.97 1ocu h PHE 87 N 0.47 1.15 -0.89 4.33 3.57 -1.18 -2.66 116.94 121.73 1ocu h PHE 87 Ca 0.13 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ocu h PHE 87 Cb 0.13 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 1ocu h PHE 87 CO -0.01 0.94 0.59 0.35 -2.23 0.00 0.00 178.31 177.95 1ocu h PHE 88 N 1.02 1.11 -0.55 0.41 3.57 -0.81 -2.87 116.94 118.82 1ocu h PHE 88 Ca 0.21 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1ocu h PHE 88 Cb 0.38 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1ocu h PHE 88 CO 0.03 0.68 0.29 -0.09 -2.23 0.00 0.00 178.31 176.99 1ocu h ARG 89 N 1.18 0.78 -0.01 1.11 2.43 -0.89 0.27 114.38 119.25 1ocu h ARG 89 Ca 0.33 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1ocu h ARG 89 Cb -0.10 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1ocu h ARG 89 CO -0.08 0.61 0.00 1.63 -1.51 0.00 0.00 179.97 180.62 1ocu n LYS 90 N -4.59 0.01 0.00 0.20 5.02 -1.08 -0.37 118.16 117.34 1ocu n LYS 90 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1ocu n LYS 90 Cb 0.10 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 1ocu n LYS 90 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ocu n LEU 92 N 0.41 0.00 -0.19 -0.35 7.94 0.95 -0.33 117.00 125.42 1ocu n LEU 92 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1ocu n LEU 92 Cb 0.00 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.17 1ocu n LEU 92 CO 0.00 0.00 1.13 0.40 -1.11 0.00 0.00 177.39 177.81 1ocu h ILE 93 N 0.00 1.21 -0.16 1.96 2.04 -0.95 -0.05 117.51 121.56 1ocu h ILE 93 Ca 0.00 -0.54 -0.22 0.00 1.00 0.00 0.00 64.86 65.10 1ocu h ILE 93 Cb 0.00 0.31 0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1ocu h ILE 93 CO 0.00 0.24 -0.75 0.50 0.00 0.00 0.00 178.15 178.14 1ocu h LYS 94 N 0.95 0.76 -0.84 2.37 3.64 -0.91 -2.84 116.57 119.70 1ocu h LYS 94 Ca 0.24 -0.60 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1ocu h LYS 94 Cb 0.05 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1ocu h LYS 94 CO -0.04 1.22 0.40 1.49 -2.27 0.00 0.00 179.45 180.25 1ocu h GLU 95 N 0.53 1.21 -0.91 1.90 4.81 -1.70 -2.23 114.58 118.19 1ocu h GLU 95 Ca -0.04 -0.18 0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1ocu h GLU 95 Cb 1.37 -0.22 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 1ocu h GLU 95 CO 0.15 0.93 0.57 0.82 -0.73 0.00 0.00 179.01 180.75 1ocu h ILE 96 N 1.19 1.03 -0.22 2.32 1.08 -0.94 -2.13 117.51 119.84 1ocu h ILE 96 Ca 0.29 -0.35 -0.14 0.00 -0.39 0.00 0.00 64.86 64.27 1ocu h ILE 96 Cb 0.13 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.80 1ocu h ILE 96 CO -0.04 0.19 -0.45 0.77 -0.69 0.00 0.00 178.15 177.93 1ocu h SER 97 N 1.02 0.60 0.06 1.72 4.64 -1.18 -2.82 113.55 117.58 1ocu h SER 97 Ca 0.40 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1ocu h SER 97 Cb 0.21 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ocu h SER 97 CO -0.19 0.97 0.00 0.23 -0.87 0.00 0.00 176.83 176.97 1ocu n MET 98 N -4.01 0.84 -0.31 4.77 2.81 -0.85 -3.03 117.12 117.34 1ocu n MET 98 Ca -0.02 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.94 1ocu n MET 98 Cb 0.54 -1.50 0.21 0.00 -0.71 0.00 0.00 33.22 31.76 1ocu n MET 98 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1ocu n LEU 99 N -1.03 3.41 -3.06 4.03 4.77 -0.92 -5.01 117.00 119.18 1ocu n LEU 99 Ca 0.21 -2.41 -0.01 0.00 -0.03 0.00 0.00 56.01 53.77 1ocu n LEU 99 Cb 0.11 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1ocu n LEU 99 CO 0.17 0.72 0.31 -3.20 -1.33 0.00 0.00 177.39 174.06 1ocu n ASN 100 N 0.18 -7.75 -2.74 -1.43 5.15 -1.17 -5.01 115.26 102.49 1ocu n ASN 100 Ca 0.16 -0.05 -0.09 0.00 -0.60 0.00 0.00 54.58 54.00 1ocu n ASN 100 Cb 0.63 -5.23 0.09 0.00 -0.53 0.00 0.00 39.78 34.74 1ocu n ASN 100 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1ocu n HIS 101 N -1.69 -2.81 0.16 1.20 8.25 -1.23 -5.01 115.22 114.08 1ocu n HIS 101 Ca 0.00 -2.16 0.01 0.00 -0.26 0.00 0.00 57.72 55.31 1ocu n HIS 101 Cb 0.50 1.60 0.07 0.00 1.12 0.00 0.00 29.99 33.28 1ocu n HIS 101 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ocu n PRO 102 N 0.35 0.08 -0.04 -0.41 -0.04 -1.26 -1.92 135.00 131.76 1ocu n PRO 102 Ca 0.06 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1ocu n PRO 102 Cb 0.70 -1.46 0.04 0.00 -0.04 0.00 0.00 33.50 32.73 1ocu n PRO 102 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ocu n LYS 103 N -0.96 1.43 -2.86 0.54 5.02 -1.26 -4.98 118.16 115.09 1ocu n LYS 103 Ca 0.02 -1.27 -0.42 0.00 -2.02 0.00 0.00 58.31 54.62 1ocu n LYS 103 Cb 0.01 -1.09 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 1ocu n LYS 103 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ocu s VAL 104 N -0.70 4.84 -0.18 -0.18 1.01 -0.81 -5.03 120.40 119.34 1ocu s VAL 104 Ca 0.07 1.65 -0.07 0.00 0.00 0.00 0.00 61.98 63.62 1ocu s VAL 104 Cb 0.04 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1ocu s VAL 104 CO 0.05 -0.04 0.06 -0.04 0.00 0.00 0.00 175.10 175.13 1ocu s MET 105 N 2.59 3.97 -0.28 2.72 -1.94 -1.26 -5.06 119.30 120.04 1ocu s MET 105 Ca 0.37 -0.34 -0.09 0.00 -1.71 0.00 0.00 55.69 53.92 1ocu s MET 105 Cb -0.16 -3.21 -0.02 0.00 2.01 0.00 0.00 34.83 33.45 1ocu s MET 105 CO 0.09 0.29 0.12 0.08 -0.01 0.00 0.00 175.02 175.59 1ocu s VAL 106 N 0.33 4.60 0.67 -6.03 1.01 -1.26 -5.07 120.40 114.65 1ocu s VAL 106 Ca 0.03 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 1ocu s VAL 106 Cb -0.12 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1ocu s VAL 106 CO 0.00 0.21 1.23 -0.81 0.00 0.00 0.00 175.10 175.73 1ocu n PRO 107 N 4.97 0.93 -1.96 2.72 -0.04 -1.26 -4.97 135.00 135.38 1ocu n PRO 107 Ca -0.15 0.38 -0.31 0.00 -0.04 0.00 0.00 63.50 63.37 1ocu n PRO 107 Cb 0.51 -2.47 0.01 0.00 -0.04 0.00 0.00 33.50 31.50 1ocu n PRO 107 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ocu s HIS 108 N -1.52 3.46 0.53 0.54 -3.43 -1.26 -5.05 115.29 108.56 1ocu s HIS 108 Ca 0.80 1.37 -0.16 0.00 -0.80 0.00 0.00 55.06 56.28 1ocu s HIS 108 Cb -0.37 -2.78 -0.07 0.00 -1.43 0.00 0.00 32.58 27.93 1ocu s HIS 108 CO 0.43 -0.73 1.00 -0.51 -2.00 0.00 0.00 174.74 172.93 1ocu s LEU 109 N -4.92 3.58 0.47 5.38 1.43 -1.26 -4.95 118.68 118.41 1ocu s LEU 109 Ca 0.57 1.58 0.36 0.00 -1.03 0.00 0.00 54.13 55.61 1ocu s LEU 109 Cb -0.12 -4.51 1.53 0.00 0.03 0.00 0.00 46.19 43.13 1ocu s LEU 109 CO 0.47 -0.67 1.60 1.55 0.23 0.00 0.00 176.35 179.53 1ocu h PRO 110 N 0.76 0.03 0.00 1.29 0.13 -1.95 -3.46 132.00 128.80 1ocu h PRO 110 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ocu h PRO 110 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ocu h PRO 110 CO 0.61 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 1ocu n GLY 111 N -1.61 3.19 3.78 1.56 0.00 -1.26 -5.08 105.19 105.77 1ocu n GLY 111 Ca 0.40 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 1ocu n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ocu s LYS 112 N -3.45 2.71 0.05 1.61 1.02 -1.26 -5.07 119.74 115.35 1ocu s LYS 112 Ca 0.00 1.22 0.04 0.00 0.02 0.00 0.00 55.97 57.25 1ocu s LYS 112 Cb 0.00 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 1ocu s LYS 112 CO 0.00 -1.30 -0.11 0.42 -0.92 0.00 0.00 175.35 173.44 1ocu s ILE 113 N -2.65 0.85 0.46 2.17 -1.09 -1.26 -5.13 121.20 114.56 1ocu s ILE 113 Ca 0.63 -1.15 -0.24 0.00 -2.23 0.00 0.00 60.65 57.66 1ocu s ILE 113 Cb -0.18 -0.85 -0.08 0.00 -1.58 0.00 0.00 42.46 39.77 1ocu s ILE 113 CO 0.48 -0.26 1.33 0.00 -1.23 0.00 0.00 174.94 175.26 1ocu n LEU 114 N 1.46 4.69 0.10 2.97 -0.00 -1.26 -4.82 117.00 120.14 1ocu n LEU 114 Ca -0.21 1.07 -0.12 0.00 -0.00 0.00 0.00 56.01 56.75 1ocu n LEU 114 Cb 0.54 -1.55 -0.07 0.00 -0.00 0.00 0.00 43.42 42.35 1ocu n LEU 114 CO 0.21 -0.51 0.51 0.25 -0.00 0.00 0.00 177.39 177.85 1ocu h LEU 115 N 1.97 -1.10 -1.99 1.47 5.85 -2.01 -2.68 115.31 116.82 1ocu h LEU 115 Ca -0.49 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1ocu h LEU 115 Cb 1.29 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1ocu h LEU 115 CO 0.59 -0.41 0.00 -1.54 -0.34 0.00 0.00 178.44 176.74 1ocu n SER 116 N -4.58 0.65 0.00 1.25 3.41 -1.26 -1.67 113.62 111.42 1ocu n SER 116 Ca -0.06 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1ocu n SER 116 Cb 0.30 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1ocu n SER 116 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ocu n ASN 117 N 0.88 0.00 0.01 4.04 4.05 -1.06 -4.89 115.26 118.29 1ocu n ASN 117 Ca 0.00 0.00 0.05 0.00 0.45 0.00 0.00 54.58 55.08 1ocu n ASN 117 Cb 0.11 0.00 0.23 0.00 1.23 0.00 0.00 39.78 41.34 1ocu n ASN 117 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 1ocu n ARG 118 N -0.01 0.01 -0.17 1.20 1.85 -0.67 -2.43 116.66 116.43 1ocu n ARG 118 Ca 0.00 0.34 0.07 0.00 -1.00 0.00 0.00 57.85 57.26 1ocu n ARG 118 Cb 0.00 -1.52 0.16 0.00 -1.05 0.00 0.00 32.46 30.05 1ocu n ARG 118 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1ocu n PHE 119 N -1.54 0.44 -2.60 2.89 3.01 -1.26 -4.60 117.46 113.80 1ocu n PHE 119 Ca 0.02 -0.37 -0.35 0.00 1.01 0.00 0.00 57.45 57.77 1ocu n PHE 119 Cb 0.12 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.53 1ocu n PHE 119 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ocu s SER 120 N -1.05 6.64 0.09 4.37 0.15 -1.02 -4.93 113.70 117.95 1ocu s SER 120 Ca 0.26 1.93 -0.34 0.00 0.70 0.00 0.00 55.95 58.50 1ocu s SER 120 Cb 0.15 -2.57 -0.16 0.00 -1.71 0.00 0.00 66.02 61.73 1ocu s SER 120 CO 0.20 -0.57 1.58 -1.13 1.20 0.00 0.00 173.24 174.52 1ocu h ASN 121 N 2.06 -1.23 -0.88 5.45 -1.24 -1.94 -1.40 115.58 116.39 1ocu h ASN 121 Ca -0.49 0.10 0.13 0.00 0.71 0.00 0.00 56.30 56.75 1ocu h ASN 121 Cb 1.21 0.40 -0.09 0.00 0.73 0.00 0.00 38.32 40.58 1ocu h ASN 121 CO 0.61 -0.62 0.50 -0.33 -1.29 0.00 0.00 177.43 176.30 1ocu h GLU 122 N -0.94 0.74 -0.17 6.67 5.08 -1.96 -0.87 114.58 123.14 1ocu h GLU 122 Ca -0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1ocu h GLU 122 Cb 0.82 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1ocu h GLU 122 CO -0.05 0.49 0.06 0.28 -1.00 0.00 0.00 179.01 178.79 1ocu h VAL 123 N 0.76 1.18 -0.69 3.13 2.07 -1.80 0.29 116.25 121.19 1ocu h VAL 123 Ca 0.46 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1ocu h VAL 123 Cb 0.54 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1ocu h VAL 123 CO -0.31 0.17 0.43 0.40 0.02 0.00 0.00 177.57 178.29 1ocu h ILE 124 N 0.10 1.11 -0.40 4.57 1.08 -0.69 -1.00 117.51 122.28 1ocu h ILE 124 Ca 0.05 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.21 1ocu h ILE 124 Cb 0.21 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 1ocu h ILE 124 CO -0.00 0.16 0.17 -0.08 -0.69 0.00 0.00 178.15 177.71 1ocu h GLU 125 N 0.86 0.59 0.13 2.37 4.57 -0.96 0.10 114.58 122.24 1ocu h GLU 125 Ca 0.27 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.36 1ocu h GLU 125 Cb -0.01 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 1ocu h GLU 125 CO -0.10 0.54 -0.47 0.93 -1.18 0.00 0.00 179.01 178.74 1ocu h GLU 126 N 0.50 -0.66 -0.60 1.92 4.39 -0.34 -0.86 114.58 118.94 1ocu h GLU 126 Ca 0.13 0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.96 1ocu h GLU 126 Cb 0.17 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 1ocu h GLU 126 CO -0.01 -0.44 0.27 -0.09 -1.16 0.00 0.00 179.01 177.57 1ocu h ARG 127 N -0.69 0.48 -0.25 2.33 2.43 -1.10 -1.28 114.38 116.29 1ocu h ARG 127 Ca -0.01 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1ocu h ARG 127 Cb 0.68 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 1ocu h ARG 127 CO -0.24 0.32 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.42 1ocu h ARG 128 N 0.49 0.04 -0.80 0.20 2.43 -0.38 0.20 114.38 116.57 1ocu h ARG 128 Ca 0.29 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1ocu h ARG 128 Cb 0.28 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1ocu h ARG 128 CO -0.24 0.03 0.52 1.96 -1.51 0.00 0.00 179.97 180.73 1ocu h GLN 129 N 0.05 1.02 -0.63 0.20 4.20 -0.66 0.13 115.11 119.42 1ocu h GLN 129 Ca 0.12 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1ocu h GLN 129 Cb 0.17 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1ocu h GLN 129 CO -0.23 0.67 0.23 0.78 -0.67 0.00 0.00 178.83 179.61 1ocu h GLY 130 N 1.05 1.03 1.45 3.46 0.00 -0.33 -1.71 103.07 108.02 1ocu h GLY 130 Ca 0.30 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 1ocu h GLY 130 CO -0.08 0.55 -0.31 1.41 0.00 0.00 0.00 176.54 178.11 1ocu h LEU 131 N 0.89 0.64 -0.29 3.11 3.38 -0.13 -0.43 115.31 122.47 1ocu h LEU 131 Ca 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1ocu h LEU 131 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ocu h LEU 131 CO -0.01 0.91 0.15 -1.13 0.09 0.00 0.00 178.44 178.44 1ocu h ASN 132 N 0.53 0.38 -0.09 -0.43 -1.24 -0.43 0.02 115.58 114.32 1ocu h ASN 132 Ca 0.06 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 1ocu h ASN 132 Cb 0.79 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.74 1ocu h ASN 132 CO 0.06 0.38 -0.00 0.74 -1.29 0.00 0.00 177.43 177.32 1ocu h THR 133 N 0.34 1.26 -0.33 -3.57 2.02 -1.19 -2.41 112.91 109.04 1ocu h THR 133 Ca 0.10 -0.83 0.06 0.00 0.77 0.00 0.00 66.41 66.51 1ocu h THR 133 Cb 0.10 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 1ocu h THR 133 CO -0.01 0.23 -0.01 -0.25 0.37 0.00 0.00 175.52 175.85 1ocu h TRP 134 N -0.13 -0.03 -0.43 3.16 7.01 -0.95 -2.43 115.95 122.14 1ocu h TRP 134 Ca 0.02 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.00 1ocu h TRP 134 Cb 0.37 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 1ocu h TRP 134 CO 0.04 -0.07 0.05 1.98 -2.79 0.00 0.00 178.44 177.65 1ocu h MET 135 N 0.08 0.67 -0.04 2.65 4.05 -0.99 -1.93 114.93 119.42 1ocu h MET 135 Ca 0.16 -0.15 -0.10 0.00 -0.28 0.00 0.00 59.70 59.33 1ocu h MET 135 Cb 0.22 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1ocu h MET 135 CO -0.27 0.66 -0.43 1.96 0.23 0.00 0.00 176.91 179.05 1ocu h GLN 136 N 0.64 0.08 0.12 0.39 4.20 -1.04 -1.20 115.11 118.30 1ocu h GLN 136 Ca 0.14 -0.04 -0.23 0.00 0.06 0.00 0.00 58.65 58.58 1ocu h GLN 136 Cb 0.33 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.13 1ocu h GLN 136 CO 0.01 0.50 -0.96 0.77 -0.67 0.00 0.00 178.83 178.48 1ocu h SER 137 N 0.07 0.64 0.17 1.46 0.02 -1.12 -2.38 113.55 112.40 1ocu h SER 137 Ca 0.00 -0.87 -0.01 0.00 -0.84 0.00 0.00 61.79 60.07 1ocu h SER 137 Cb 0.80 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1ocu h SER 137 CO 0.06 1.45 -0.08 0.58 -1.14 0.00 0.00 176.83 177.70 1ocu h VAL 138 N -0.08 0.88 0.00 2.27 2.07 -1.32 -2.74 116.25 117.33 1ocu h VAL 138 Ca -0.15 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1ocu h VAL 138 Cb 1.70 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1ocu h VAL 138 CO 0.18 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.82 1ocu n ALA 139 N -2.24 1.98 0.77 1.67 0.00 -0.46 -2.82 120.51 119.41 1ocu n ALA 139 Ca -0.09 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.39 1ocu n ALA 139 Cb 0.15 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.33 1ocu n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ocu n GLY 140 N 0.63 -1.19 3.64 0.00 0.00 -0.90 -4.74 105.19 102.63 1ocu n GLY 140 Ca 0.06 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1ocu n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ocu s HIS 141 N -3.10 2.23 0.32 1.61 2.46 -1.08 -4.90 115.29 112.82 1ocu s HIS 141 Ca 0.07 0.54 0.10 0.00 0.47 0.00 0.00 55.06 56.24 1ocu s HIS 141 Cb 0.16 -3.88 0.92 0.00 -0.13 0.00 0.00 32.58 29.65 1ocu s HIS 141 CO 0.78 -2.91 1.70 -1.35 -2.47 0.00 0.00 174.74 170.48 1ocu h PRO 142 N 9.89 0.44 -0.02 2.88 0.11 -1.91 -0.81 132.00 142.59 1ocu h PRO 142 Ca -0.34 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.56 1ocu h PRO 142 Cb 1.15 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1ocu h PRO 142 CO 0.98 0.29 -0.81 -0.07 -0.21 0.00 0.00 178.00 178.18 1ocu h LEU 143 N 0.45 0.28 -0.38 2.35 3.38 -1.97 -2.84 115.31 116.59 1ocu h LEU 143 Ca 0.66 -0.21 -0.18 0.00 0.09 0.00 0.00 57.88 58.23 1ocu h LEU 143 Cb 1.35 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1ocu h LEU 143 CO -0.54 0.98 -0.61 -0.07 0.09 0.00 0.00 178.44 178.29 1ocu h LEU 144 N 0.14 0.76 -0.86 1.67 3.38 -1.53 -0.17 115.31 118.69 1ocu h LEU 144 Ca -0.04 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1ocu h LEU 144 Cb 1.41 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1ocu h LEU 144 CO 0.13 1.19 0.55 1.56 0.09 0.00 0.00 178.44 181.96 1ocu h GLN 145 N 0.50 1.15 0.00 1.13 4.20 -1.18 0.35 115.11 121.27 1ocu h GLN 145 Ca -0.00 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1ocu h GLN 145 Cb 1.19 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1ocu h GLN 145 CO 0.12 0.79 -1.47 -1.13 -0.67 0.00 0.00 178.83 176.47 1ocu n SER 146 N -4.45 0.58 -0.00 1.46 3.41 -1.07 -4.61 113.62 108.93 1ocu n SER 146 Ca 0.09 0.23 0.01 0.00 -0.26 0.00 0.00 58.87 58.95 1ocu n SER 146 Cb 0.03 0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 64.77 1ocu n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ocu n GLY 147 N 1.30 0.57 3.56 5.00 0.00 -0.08 -4.95 105.19 110.59 1ocu n GLY 147 Ca -0.06 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1ocu n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ocu s SER 148 N -1.46 6.41 0.06 1.61 0.15 0.11 -4.90 113.70 115.68 1ocu s SER 148 Ca 0.01 0.06 -0.15 0.00 0.70 0.00 0.00 55.95 56.57 1ocu s SER 148 Cb 0.02 -2.33 -0.27 0.00 -1.71 0.00 0.00 66.02 61.74 1ocu s SER 148 CO 0.12 -0.64 1.14 0.11 1.20 0.00 0.00 173.24 175.17 1ocu h LYS 149 N 8.55 0.66 -0.76 5.44 1.57 -1.94 -3.24 116.57 126.84 1ocu h LYS 149 Ca -0.26 -0.80 0.08 0.00 -1.87 0.00 0.00 60.65 57.80 1ocu h LYS 149 Cb 1.11 0.25 -0.07 0.00 0.08 0.00 0.00 32.23 33.60 1ocu h LYS 149 CO 0.85 1.36 0.42 0.28 -0.57 0.00 0.00 179.45 181.79 1ocu h VAL 150 N 0.32 0.92 -0.53 0.50 2.07 -1.97 -2.20 116.25 115.36 1ocu h VAL 150 Ca -0.16 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1ocu h VAL 150 Cb 1.81 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1ocu h VAL 150 CO 0.22 0.13 0.34 0.25 0.02 0.00 0.00 177.57 178.53 1ocu h LEU 151 N 0.73 0.57 -0.17 2.57 5.85 -1.92 -1.59 115.31 121.36 1ocu h LEU 151 Ca 0.36 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1ocu h LEU 151 Cb 0.31 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1ocu h LEU 151 CO -0.23 0.40 0.10 0.58 -0.34 0.00 0.00 178.44 178.95 1ocu h VAL 152 N 0.68 1.07 -0.99 1.05 2.07 -1.45 -2.33 116.25 116.34 1ocu h VAL 152 Ca 0.20 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1ocu h VAL 152 Cb -0.03 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1ocu h VAL 152 CO -0.07 0.06 0.66 -0.09 0.02 0.00 0.00 177.57 178.15 1ocu h ARG 153 N 0.20 1.27 0.00 1.57 2.43 -1.16 0.10 114.38 118.79 1ocu h ARG 153 Ca 0.06 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1ocu h ARG 153 Cb 0.01 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 1ocu h ARG 153 CO -0.01 0.84 -0.23 0.35 -1.51 0.00 0.00 179.97 179.40 1ocu h PHE 154 N 1.30 0.00 0.16 2.20 3.57 -0.94 -1.97 116.94 121.26 1ocu h PHE 154 Ca 0.38 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.54 1ocu h PHE 154 Cb -0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1ocu h PHE 154 CO -0.00 0.23 -1.73 0.82 -2.23 0.00 0.00 178.31 175.40 1ocu h ILE 155 N 0.00 0.94 0.05 1.41 1.08 -0.80 -3.43 117.51 116.77 1ocu h ILE 155 Ca -0.00 -2.56 -0.35 0.00 -0.39 0.00 0.00 64.86 61.56 1ocu h ILE 155 Cb 0.42 2.72 -0.04 0.00 -3.07 0.00 0.00 36.82 36.85 1ocu h ILE 155 CO 0.03 0.84 -1.95 -0.62 -0.69 0.00 0.00 178.15 175.76 1ocu n GLU 156 N -3.53 0.66 -1.81 2.37 1.02 0.26 -4.58 120.64 115.04 1ocu n GLU 156 Ca -0.23 0.33 -0.41 0.00 -0.02 0.00 0.00 57.16 56.83 1ocu n GLU 156 Cb 1.06 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 30.82 1ocu n GLU 156 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ocu s ALA 157 N -2.49 3.61 0.29 0.62 0.00 -0.75 -4.88 121.76 118.17 1ocu s ALA 157 Ca -0.29 1.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.21 1ocu s ALA 157 Cb 0.08 -3.62 0.42 0.00 0.00 0.00 0.00 23.12 20.00 1ocu s ALA 157 CO 0.65 -1.03 1.93 1.49 0.00 0.00 0.00 175.76 178.80 1ocu h GLU 158 N 3.48 1.04 -4.37 0.00 4.81 -1.94 -3.39 114.58 114.21 1ocu h GLU 158 Ca -0.50 -0.10 -0.52 0.00 -0.13 0.00 0.00 59.36 58.11 1ocu h GLU 158 Cb 1.23 -0.22 -0.35 0.00 0.63 0.00 0.00 28.75 30.04 1ocu h GLU 158 CO 0.68 0.74 -0.81 0.21 -0.73 0.00 0.00 179.01 179.10 1ocu s LYS 159 N -5.75 1.62 0.03 1.92 2.20 -1.26 -4.62 119.74 113.88 1ocu s LYS 159 Ca -0.11 -0.33 -0.24 0.00 -0.36 0.00 0.00 55.97 54.92 1ocu s LYS 159 Cb 0.17 -1.53 -0.18 0.00 -1.51 0.00 0.00 37.83 34.79 1ocu s LYS 159 CO 0.80 -0.14 1.47 0.35 -0.36 0.00 0.00 175.35 177.46 1ocu h PHE 160 N 7.67 0.02 0.00 4.03 3.57 -1.89 -2.97 116.94 127.37 1ocu h PHE 160 Ca -0.31 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1ocu h PHE 160 Cb 1.15 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1ocu h PHE 160 CO 0.48 0.30 0.00 1.33 -2.23 0.00 0.00 178.31 178.19 1ocu n VAL 161 N -4.94 1.64 0.62 1.41 0.24 -1.26 -5.00 118.33 111.04 1ocu n VAL 161 Ca -0.08 -0.34 0.05 0.00 -2.04 0.00 0.00 64.34 61.93 1ocu n VAL 161 Cb 0.16 -1.33 0.29 0.00 -1.47 0.00 0.00 33.84 31.49 1ocu n VAL 161 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30