#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3v n ALA 2 N 0.00 3.00 0.00 5.20 0.00 -1.26 -5.15 120.51 122.30 3d3v n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3d3v n ALA 2 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3d3v n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d3v n GLY 3 N 2.86 0.94 3.27 0.00 0.00 -1.26 -4.88 105.19 106.12 3d3v n GLY 3 Ca 0.00 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 3d3v n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d3v s VAL 4 N 0.00 3.93 0.16 1.61 1.01 -1.26 -3.03 120.40 122.82 3d3v s VAL 4 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 61.98 60.62 3d3v s VAL 4 Cb 0.00 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 3d3v s VAL 4 CO 0.00 -0.30 0.53 0.42 0.00 0.00 0.00 175.10 175.75 3d3v s THR 5 N 1.40 4.91 -0.11 3.92 -4.23 -0.71 -4.21 115.64 116.61 3d3v s THR 5 Ca 0.00 0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 61.17 3d3v s THR 5 Cb -0.21 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 69.99 3d3v s THR 5 CO 0.02 0.18 0.22 0.00 -0.54 0.00 0.00 174.62 174.50 3d3v s GLN 6 N -2.15 0.10 0.08 3.99 -2.07 -1.26 -1.54 119.66 116.80 3d3v s GLN 6 Ca 0.39 0.64 0.01 0.00 -1.82 0.00 0.00 55.36 54.58 3d3v s GLN 6 Cb -0.14 -0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 31.60 3d3v s GLN 6 CO 0.19 -0.28 0.21 0.95 -1.32 0.00 0.00 175.29 175.04 3d3v s THR 7 N 2.22 5.29 0.61 3.63 -4.23 -1.16 -4.46 115.64 117.54 3d3v s THR 7 Ca 0.01 -0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 60.01 3d3v s THR 7 Cb -0.12 -3.60 0.04 0.00 1.34 0.00 0.00 72.50 70.16 3d3v s THR 7 CO -0.07 0.10 0.88 -2.16 -0.54 0.00 0.00 174.62 172.83 3d3v s PRO 8 N -2.61 2.50 0.13 3.99 0.04 -1.26 -2.24 135.00 135.55 3d3v s PRO 8 Ca 0.34 -0.42 -0.06 0.00 0.04 0.00 0.00 61.00 60.90 3d3v s PRO 8 Cb -0.13 -2.33 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 3d3v s PRO 8 CO 0.27 -0.89 1.33 0.87 0.04 0.00 0.00 177.00 178.63 3d3v h LYS 9 N -0.21 0.53 -3.89 4.56 1.57 -1.79 -3.39 116.57 113.95 3d3v h LYS 9 Ca -0.44 -0.49 -0.16 0.00 -1.87 0.00 0.00 60.65 57.69 3d3v h LYS 9 Cb 1.29 0.12 -0.21 0.00 0.08 0.00 0.00 32.23 33.52 3d3v h LYS 9 CO 0.57 1.12 -0.65 -0.06 -0.57 0.00 0.00 179.45 179.86 3d3v s PHE 10 N -3.48 0.23 -0.20 -1.35 0.08 -1.26 -1.05 117.98 110.94 3d3v s PHE 10 Ca -0.07 -0.48 -0.12 0.00 0.12 0.00 0.00 56.93 56.38 3d3v s PHE 10 Cb 0.09 -0.17 0.06 0.00 -0.57 0.00 0.00 43.02 42.43 3d3v s PHE 10 CO 0.87 -0.22 0.50 -1.14 -0.10 0.00 0.00 175.22 175.13 3d3v s GLN 11 N -1.59 0.51 -0.16 0.44 2.00 -0.38 -4.94 119.66 115.54 3d3v s GLN 11 Ca -0.14 0.90 -0.04 0.00 -2.00 0.00 0.00 55.36 54.07 3d3v s GLN 11 Cb -0.08 0.06 -0.03 0.00 0.80 0.00 0.00 33.01 33.76 3d3v s GLN 11 CO -0.01 -0.14 -0.02 0.54 -0.50 0.00 0.00 175.29 175.16 3d3v s VAL 12 N 1.32 4.09 0.07 1.34 0.11 -1.26 -1.06 120.40 125.01 3d3v s VAL 12 Ca -0.08 -0.29 0.09 0.00 -2.93 0.00 0.00 61.98 58.77 3d3v s VAL 12 Cb -0.07 -2.80 -0.03 0.00 -1.53 0.00 0.00 36.38 31.94 3d3v s VAL 12 CO -0.13 0.49 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.15 3d3v s LEU 13 N 0.34 2.46 0.76 2.54 1.43 -0.16 -4.99 118.68 121.07 3d3v s LEU 13 Ca -0.03 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 3d3v s LEU 13 Cb -0.14 -1.41 0.11 0.00 0.03 0.00 0.00 46.19 44.78 3d3v s LEU 13 CO 0.02 0.23 1.07 -1.59 0.23 0.00 0.00 176.35 176.31 3d3v s LYS 14 N -1.63 1.69 -0.11 1.70 -2.85 -1.26 -1.74 119.74 115.54 3d3v s LYS 14 Ca 0.14 -0.58 -0.28 0.00 -1.00 0.00 0.00 55.97 54.25 3d3v s LYS 14 Cb -0.10 -2.16 -0.01 0.00 -2.06 0.00 0.00 37.83 33.49 3d3v s LYS 14 CO 0.05 -1.55 0.95 0.99 0.10 0.00 0.00 175.35 175.90 3d3v s THR 15 N -3.34 4.83 0.00 3.79 2.01 -0.97 -3.14 115.64 118.81 3d3v s THR 15 Ca 0.65 1.92 0.00 0.00 0.31 0.00 0.00 61.69 64.57 3d3v s THR 15 Cb -0.07 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.18 3d3v s THR 15 CO 0.46 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 3d3v n GLY 16 N 3.16 2.34 3.74 4.40 0.00 -0.68 -4.90 105.19 113.25 3d3v n GLY 16 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3d3v n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d3v s GLN 17 N -0.28 2.71 -0.08 1.61 -0.21 -1.19 -4.00 119.66 118.23 3d3v s GLN 17 Ca 0.00 2.13 -0.02 0.00 0.02 0.00 0.00 55.36 57.49 3d3v s GLN 17 Cb 0.00 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 32.02 3d3v s GLN 17 CO 0.00 -1.49 0.00 -1.54 -2.12 0.00 0.00 175.29 170.14 3d3v s SER 18 N -1.26 5.24 -0.10 5.90 1.04 -1.24 -1.45 113.70 121.83 3d3v s SER 18 Ca 0.80 0.14 -0.21 0.00 0.48 0.00 0.00 55.95 57.16 3d3v s SER 18 Cb -0.39 -1.47 0.05 0.00 0.10 0.00 0.00 66.02 64.31 3d3v s SER 18 CO 0.42 0.37 0.50 -0.32 0.98 0.00 0.00 173.24 175.19 3d3v s MET 19 N -0.95 0.75 -0.20 4.02 0.00 -1.15 -5.04 119.30 116.72 3d3v s MET 19 Ca 0.14 0.31 0.01 0.00 0.00 0.00 0.00 55.69 56.15 3d3v s MET 19 Cb -0.11 0.35 0.04 0.00 0.00 0.00 0.00 34.83 35.11 3d3v s MET 19 CO 0.03 -0.18 -0.13 -0.08 0.00 0.00 0.00 175.02 174.66 3d3v s THR 20 N -0.63 1.84 0.20 10.11 -1.32 -1.26 -1.27 115.64 123.31 3d3v s THR 20 Ca -0.07 -1.10 -0.29 0.00 -1.21 0.00 0.00 61.69 59.02 3d3v s THR 20 Cb -0.03 -1.85 -0.08 0.00 -1.51 0.00 0.00 72.50 69.03 3d3v s THR 20 CO 0.04 0.23 0.92 -0.76 -2.21 0.00 0.00 174.62 172.85 3d3v s LEU 21 N 1.32 4.60 0.13 9.08 1.43 -0.52 -4.93 118.68 129.79 3d3v s LEU 21 Ca -0.01 1.87 0.07 0.00 -1.03 0.00 0.00 54.13 55.03 3d3v s LEU 21 Cb -0.16 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 3d3v s LEU 21 CO -0.09 0.11 -0.07 -1.10 0.23 0.00 0.00 176.35 175.43 3d3v s GLN 22 N -0.86 2.22 -0.11 1.70 -1.52 -0.95 -1.43 119.66 118.71 3d3v s GLN 22 Ca 0.42 -1.06 -0.16 0.00 -1.95 0.00 0.00 55.36 52.60 3d3v s GLN 22 Cb -0.25 -2.32 0.04 0.00 -0.22 0.00 0.00 33.01 30.26 3d3v s GLN 22 CO 0.31 0.49 0.41 0.00 -0.25 0.00 0.00 175.29 176.24 3d3v s ALA 24 N -0.37 -0.14 -0.28 0.00 0.00 -0.59 -2.00 121.76 118.38 3d3v s ALA 24 Ca -0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 3d3v s ALA 24 Cb -0.03 0.56 0.15 0.00 0.00 0.00 0.00 23.12 23.80 3d3v s ALA 24 CO 0.03 -0.53 0.55 -1.14 0.00 0.00 0.00 175.76 174.66 3d3v s GLN 25 N -3.89 0.50 -0.01 0.00 -0.44 -1.15 -1.74 119.66 112.93 3d3v s GLN 25 Ca 0.08 1.03 -0.23 0.00 -2.50 0.00 0.00 55.36 53.74 3d3v s GLN 25 Cb 0.05 0.41 -0.15 0.00 -1.64 0.00 0.00 33.01 31.68 3d3v s GLN 25 CO -0.09 -0.48 1.07 0.22 0.50 0.00 0.00 175.29 176.52 3d3v h ASP 26 N 8.06 -0.38 0.00 6.67 3.58 -1.88 -3.40 116.42 129.07 3d3v h ASP 26 Ca -0.20 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.08 3d3v h ASP 26 Cb 1.14 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.29 3d3v h ASP 26 CO 0.21 0.04 0.00 1.15 -2.88 0.00 0.00 179.24 177.76 3d3v n MET 27 N -5.12 0.00 -3.41 0.28 0.00 -1.26 -4.77 117.12 102.84 3d3v n MET 27 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.39 3d3v n MET 27 Cb 0.27 -0.96 0.07 0.00 0.00 0.00 0.00 33.22 32.60 3d3v n MET 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3d3v n ASN 28 N -0.17 -6.06 -4.88 3.17 5.03 -1.26 -5.00 115.26 106.09 3d3v n ASN 28 Ca 0.00 -0.46 -0.30 0.00 0.87 0.00 0.00 54.58 54.69 3d3v n ASN 28 Cb 0.00 -4.73 -0.04 0.00 -1.02 0.00 0.00 39.78 34.00 3d3v n ASN 28 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3d3v s HIS 29 N -3.27 3.46 -0.13 3.10 3.76 -1.26 -4.92 115.29 116.03 3d3v s HIS 29 Ca 0.50 0.99 0.19 0.00 -0.15 0.00 0.00 55.06 56.58 3d3v s HIS 29 Cb -0.22 -2.39 -0.24 0.00 1.11 0.00 0.00 32.58 30.84 3d3v s HIS 29 CO 0.61 -0.01 0.43 0.39 -0.85 0.00 0.00 174.74 175.31 3d3v n GLU 30 N -1.04 0.66 -3.73 1.40 1.02 -0.85 -4.84 120.64 113.26 3d3v n GLU 30 Ca 0.02 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.79 3d3v n GLU 30 Cb 0.54 -1.61 -0.11 0.00 -0.02 0.00 0.00 31.44 30.24 3d3v n GLU 30 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3d3v s TYR 31 N -2.94 3.51 0.45 -0.32 6.14 -0.12 -2.73 117.35 121.35 3d3v s TYR 31 Ca -0.07 -2.19 0.07 0.00 0.64 0.00 0.00 57.07 55.53 3d3v s TYR 31 Cb 0.09 -3.17 -0.00 0.00 0.42 0.00 0.00 41.96 39.30 3d3v s TYR 31 CO 0.85 -0.95 0.42 -1.64 0.64 0.00 0.00 175.55 174.86 3d3v s MET 32 N 1.22 2.47 -0.30 4.97 -1.94 -0.42 -0.70 119.30 124.60 3d3v s MET 32 Ca 0.06 -1.63 -0.12 0.00 -1.71 0.00 0.00 55.69 52.30 3d3v s MET 32 Cb -0.23 -2.35 0.16 0.00 2.01 0.00 0.00 34.83 34.42 3d3v s MET 32 CO -0.03 -0.33 0.88 -1.12 -0.01 0.00 0.00 175.02 174.42 3d3v s SER 33 N -4.20 -0.78 0.22 3.03 0.01 0.12 -1.96 113.70 110.14 3d3v s SER 33 Ca 0.47 0.85 -0.26 0.00 1.31 0.00 0.00 55.95 58.32 3d3v s SER 33 Cb -0.03 1.80 -0.09 0.00 0.21 0.00 0.00 66.02 67.91 3d3v s SER 33 CO 0.28 -0.15 0.84 0.26 0.41 0.00 0.00 173.24 174.88 3d3v s TRP 34 N 2.69 3.84 -0.08 2.43 0.52 -0.32 -1.74 118.94 126.28 3d3v s TRP 34 Ca 0.01 1.69 -0.04 0.00 0.02 0.00 0.00 56.10 57.78 3d3v s TRP 34 Cb -0.09 -2.82 0.04 0.00 -1.15 0.00 0.00 33.47 29.45 3d3v s TRP 34 CO -0.17 0.42 0.18 0.71 0.02 0.00 0.00 176.95 178.11 3d3v s TYR 35 N -1.31 -0.22 0.27 -1.98 1.51 -0.88 -2.35 117.35 112.39 3d3v s TYR 35 Ca 0.41 0.58 -0.03 0.00 -1.01 0.00 0.00 57.07 57.02 3d3v s TYR 35 Cb -0.22 -0.03 -0.05 0.00 -0.11 0.00 0.00 41.96 41.56 3d3v s TYR 35 CO 0.26 -0.18 0.51 -0.98 -1.11 0.00 0.00 175.55 174.05 3d3v s ARG 36 N 1.10 3.58 -0.01 -0.62 1.70 -0.85 0.17 118.95 124.02 3d3v s ARG 36 Ca -0.08 -0.13 0.03 0.00 -0.47 0.00 0.00 55.73 55.08 3d3v s ARG 36 Cb -0.10 -2.70 -0.00 0.00 -0.57 0.00 0.00 34.95 31.58 3d3v s ARG 36 CO -0.06 0.25 -0.09 -1.14 -1.08 0.00 0.00 175.30 173.18 3d3v s GLN 37 N -3.58 0.79 -0.00 3.89 0.74 0.43 -0.90 119.66 121.02 3d3v s GLN 37 Ca 0.42 -0.32 -0.10 0.00 0.05 0.00 0.00 55.36 55.42 3d3v s GLN 37 Cb -0.11 -0.76 0.01 0.00 1.10 0.00 0.00 33.01 33.26 3d3v s GLN 37 CO 0.30 0.17 0.19 -0.51 -0.55 0.00 0.00 175.29 174.90 3d3v s ASP 38 N -0.11 -0.04 0.42 6.67 1.01 -1.07 -3.32 116.67 120.23 3d3v s ASP 38 Ca 0.02 -0.13 0.19 0.00 0.71 0.00 0.00 52.55 53.34 3d3v s ASP 38 Cb -0.05 0.24 1.12 0.00 1.01 0.00 0.00 42.92 45.24 3d3v s ASP 38 CO -0.00 -0.40 1.82 1.55 0.21 0.00 0.00 175.17 178.35 3d3v h PRO 39 N 4.11 0.36 0.00 8.23 0.13 -2.00 -2.19 132.00 140.65 3d3v h PRO 39 Ca -0.31 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.61 3d3v h PRO 39 Cb 1.19 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 3d3v h PRO 39 CO 0.41 0.24 -1.17 0.78 -0.23 0.00 0.00 178.00 178.03 3d3v h GLY 40 N 0.38 0.00 -1.27 1.56 0.00 -2.05 -3.40 103.07 98.28 3d3v h GLY 40 Ca 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.81 3d3v h GLY 40 CO -0.21 0.00 -0.54 1.15 0.00 0.00 0.00 176.54 176.95 3d3v n MET 41 N -3.14 0.29 0.00 4.80 -0.00 -1.21 -5.13 117.12 112.74 3d3v n MET 41 Ca -0.06 -1.59 0.00 0.00 -0.00 0.00 0.00 57.70 56.05 3d3v n MET 41 Cb 0.90 -0.62 0.00 0.00 -0.00 0.00 0.00 33.22 33.50 3d3v n MET 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3d3v n GLY 42 N -0.18 2.53 3.75 3.17 0.00 -0.82 -4.58 105.19 109.05 3d3v n GLY 42 Ca 0.05 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3d3v n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d3v s LEU 43 N 0.00 4.45 -0.02 0.99 1.43 -1.26 -2.60 118.68 121.67 3d3v s LEU 43 Ca 0.00 1.41 0.05 0.00 -1.03 0.00 0.00 54.13 54.56 3d3v s LEU 43 Cb 0.00 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 3d3v s LEU 43 CO 0.00 0.03 -0.17 -0.13 0.23 0.00 0.00 176.35 176.32 3d3v s ARG 44 N -0.11 1.44 -0.09 1.70 0.52 -0.08 -5.01 118.95 117.33 3d3v s ARG 44 Ca 0.37 -0.59 -0.26 0.00 -0.52 0.00 0.00 55.73 54.74 3d3v s ARG 44 Cb -0.20 -1.35 -0.03 0.00 0.52 0.00 0.00 34.95 33.89 3d3v s ARG 44 CO 0.22 0.32 0.82 -1.17 0.02 0.00 0.00 175.30 175.51 3d3v s LEU 45 N -0.26 4.28 -0.14 2.53 2.96 -1.26 -2.01 118.68 124.78 3d3v s LEU 45 Ca 0.04 1.31 -0.11 0.00 -0.22 0.00 0.00 54.13 55.15 3d3v s LEU 45 Cb -0.08 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 3d3v s LEU 45 CO 0.00 -0.25 -0.21 -0.38 -1.32 0.00 0.00 176.35 174.19 3d3v n ILE 46 N 4.15 1.35 -3.76 6.68 5.41 -0.99 0.14 119.36 132.34 3d3v n ILE 46 Ca 0.03 0.22 -0.10 0.00 1.00 0.00 0.00 62.75 63.90 3d3v n ILE 46 Cb 0.50 -2.33 -0.06 0.00 -0.71 0.00 0.00 39.64 37.05 3d3v n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3d3v s HIS 47 N -2.32 0.00 0.14 1.39 3.76 -1.25 -0.11 115.29 116.90 3d3v s HIS 47 Ca -0.17 -0.37 -0.17 0.00 -0.15 0.00 0.00 55.06 54.21 3d3v s HIS 47 Cb 0.02 0.13 0.04 0.00 1.11 0.00 0.00 32.58 33.88 3d3v s HIS 47 CO 0.25 -0.68 0.42 1.52 -0.85 0.00 0.00 174.74 175.41 3d3v s TYR 48 N -3.85 -0.21 -0.14 1.40 1.13 -0.01 -1.18 117.35 114.48 3d3v s TYR 48 Ca 0.06 -0.11 -0.06 0.00 -1.41 0.00 0.00 57.07 55.55 3d3v s TYR 48 Cb 0.03 0.29 0.06 0.00 -1.10 0.00 0.00 41.96 41.24 3d3v s TYR 48 CO -0.09 -0.73 0.32 0.45 -2.51 0.00 0.00 175.55 172.99 3d3v s SER 49 N -2.81 -0.13 0.00 -0.18 0.15 -0.83 -0.26 113.70 109.65 3d3v s SER 49 Ca 0.04 0.71 0.24 0.00 0.70 0.00 0.00 55.95 57.63 3d3v s SER 49 Cb 0.01 0.74 0.40 0.00 -1.71 0.00 0.00 66.02 65.46 3d3v s SER 49 CO -0.11 -0.21 1.38 1.33 1.20 0.00 0.00 173.24 176.83 3d3v n VAL 50 N 4.79 0.20 -3.82 4.45 0.24 -1.26 -1.31 118.33 121.63 3d3v n VAL 50 Ca -0.16 -0.56 -0.05 0.00 -2.04 0.00 0.00 64.34 61.53 3d3v n VAL 50 Cb 0.52 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 3d3v n VAL 50 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3d3v s GLY 51 N -1.78 -0.00 0.25 7.63 0.00 -1.10 -4.39 107.32 107.92 3d3v s GLY 51 Ca 0.33 -0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.51 3d3v s GLY 51 CO 0.31 0.51 1.44 0.00 0.00 0.00 0.00 173.10 175.36 3d3v s ALA 52 N -2.93 3.63 0.00 3.20 0.00 -1.26 -3.35 121.76 121.05 3d3v s ALA 52 Ca 0.15 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3d3v s ALA 52 Cb -0.03 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3d3v s ALA 52 CO 0.06 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3d3v n GLY 53 N 2.26 2.99 3.49 0.00 0.00 0.19 -5.02 105.19 109.11 3d3v n GLY 53 Ca 0.07 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3d3v n GLY 53 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3d3v s ILE 54 N -2.56 2.93 -0.07 -0.61 -4.36 -1.21 -4.83 121.20 110.48 3d3v s ILE 54 Ca 0.00 -1.30 -0.21 0.00 -0.26 0.00 0.00 60.65 58.88 3d3v s ILE 54 Cb 0.00 -2.30 0.05 0.00 1.25 0.00 0.00 42.46 41.46 3d3v s ILE 54 CO 0.00 0.22 0.49 0.28 0.24 0.00 0.00 174.94 176.17 3d3v s THR 55 N -1.05 0.02 0.14 8.37 -1.32 -1.26 -4.29 115.64 116.25 3d3v s THR 55 Ca 0.17 -0.19 -0.02 0.00 -1.21 0.00 0.00 61.69 60.44 3d3v s THR 55 Cb -0.11 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.08 3d3v s THR 55 CO 0.08 -0.11 0.08 -0.62 -2.21 0.00 0.00 174.62 171.85 3d3v s ASP 56 N -0.88 0.28 0.54 8.08 2.15 0.64 -5.00 116.67 122.48 3d3v s ASP 56 Ca -0.09 -1.18 0.01 0.00 0.43 0.00 0.00 52.55 51.72 3d3v s ASP 56 Cb -0.03 0.31 0.03 0.00 -0.30 0.00 0.00 42.92 42.93 3d3v s ASP 56 CO 0.05 -0.75 0.77 0.00 -0.17 0.00 0.00 175.17 175.07 3d3v s GLN 57 N -4.04 2.60 0.00 4.34 -2.07 -1.26 -0.83 119.66 118.39 3d3v s GLN 57 Ca 0.24 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 53.05 3d3v s GLN 57 Cb 0.07 -2.49 0.00 0.00 -1.09 0.00 0.00 33.01 29.50 3d3v s GLN 57 CO 0.02 -0.67 0.00 0.41 -1.32 0.00 0.00 175.29 173.73 3d3v n GLY 58 N -2.32 3.56 0.09 2.60 0.00 0.84 -4.72 105.19 105.24 3d3v n GLY 58 Ca 0.07 -1.24 0.06 0.00 0.00 0.00 0.00 46.02 44.91 3d3v n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d3v n GLU 59 N 0.00 0.62 -2.59 1.61 1.02 0.38 -4.44 120.64 117.25 3d3v n GLU 59 Ca 0.00 0.10 -0.21 0.00 -0.02 0.00 0.00 57.16 57.03 3d3v n GLU 59 Cb 0.00 -1.75 0.01 0.00 -0.02 0.00 0.00 31.44 29.67 3d3v n GLU 59 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3d3v n VAL 60 N -2.69 1.90 0.11 2.62 0.24 -0.59 -4.98 118.33 114.94 3d3v n VAL 60 Ca -0.06 -4.39 -0.09 0.00 -2.04 0.00 0.00 64.34 57.76 3d3v n VAL 60 Cb 0.69 -0.64 -0.05 0.00 -1.47 0.00 0.00 33.84 32.36 3d3v n VAL 60 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3d3v h PRO 61 N 2.75 -0.46 0.00 7.34 0.11 -1.76 -3.44 132.00 136.54 3d3v h PRO 61 Ca 0.16 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3d3v h PRO 61 Cb 0.97 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3d3v h PRO 61 CO 0.73 -0.30 0.00 -1.71 -0.21 0.00 0.00 178.00 176.50 3d3v n ASN 62 N -4.03 0.00 0.00 -2.05 2.85 -1.26 -2.95 115.26 107.82 3d3v n ASN 62 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 3d3v n ASN 62 Cb 0.23 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.25 3d3v n ASN 62 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3d3v n GLY 63 N 0.00 1.15 2.87 8.20 0.00 -1.26 -5.06 105.19 111.09 3d3v n GLY 63 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3d3v n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d3v s TYR 65 N -1.28 0.81 0.17 1.61 2.02 -1.15 -3.32 117.35 116.21 3d3v s TYR 65 Ca 0.00 -0.25 0.07 0.00 -0.37 0.00 0.00 57.07 56.52 3d3v s TYR 65 Cb 0.00 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3d3v s TYR 65 CO 0.00 -0.25 0.00 1.21 -1.57 0.00 0.00 175.55 174.94 3d3v s ASN 66 N 1.23 4.79 0.03 2.29 3.04 0.13 -4.96 114.94 121.49 3d3v s ASN 66 Ca -0.06 -0.38 -0.02 0.00 0.04 0.00 0.00 52.86 52.44 3d3v s ASN 66 Cb -0.14 -1.03 -0.02 0.00 -1.54 0.00 0.00 41.25 38.52 3d3v s ASN 66 CO -0.02 0.09 0.00 0.54 -3.04 0.00 0.00 177.10 174.67 3d3v s VAL 67 N -1.72 0.13 0.22 -5.21 0.11 -1.26 -0.63 120.40 112.05 3d3v s VAL 67 Ca 0.27 -1.10 -0.09 0.00 -2.93 0.00 0.00 61.98 58.13 3d3v s VAL 67 Cb -0.09 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 3d3v s VAL 67 CO 0.19 -0.61 0.35 -0.94 -3.33 0.00 0.00 175.10 170.76 3d3v s SER 68 N -1.85 -0.00 -0.49 3.54 1.04 -1.20 -5.02 113.70 109.73 3d3v s SER 68 Ca -0.10 -1.06 0.06 0.00 0.48 0.00 0.00 55.95 55.33 3d3v s SER 68 Cb -0.05 0.51 0.20 0.00 0.10 0.00 0.00 66.02 66.78 3d3v s SER 68 CO -0.03 -1.02 0.69 -1.14 0.98 0.00 0.00 173.24 172.72 3d3v n ARG 69 N -0.33 0.55 0.13 4.02 3.00 -1.26 -3.69 116.66 119.08 3d3v n ARG 69 Ca -0.01 -2.24 0.01 0.00 -0.00 0.00 0.00 57.85 55.60 3d3v n ARG 69 Cb 0.63 -1.48 0.05 0.00 0.00 0.00 0.00 32.46 31.66 3d3v n ARG 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3d3v h SER 70 N 4.79 0.00 -3.04 6.15 4.64 -1.93 0.57 113.55 124.73 3d3v h SER 70 Ca 0.05 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.89 3d3v h SER 70 Cb 1.04 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.99 3d3v h SER 70 CO 0.18 0.60 -0.70 0.42 -0.87 0.00 0.00 176.83 176.46 3d3v s THR 71 N -3.04 1.69 0.32 2.95 -4.23 -1.26 -4.53 115.64 107.54 3d3v s THR 71 Ca 0.02 -2.16 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 3d3v s THR 71 Cb 0.09 -2.29 0.28 0.00 1.34 0.00 0.00 72.50 71.92 3d3v s THR 71 CO 0.75 -0.42 1.95 0.74 -0.54 0.00 0.00 174.62 177.11 3d3v h THR 72 N 2.39 1.11 0.00 3.99 2.02 -1.92 -3.27 112.91 117.23 3d3v h THR 72 Ca -0.39 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 3d3v h THR 72 Cb 1.23 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3d3v h THR 72 CO 0.65 0.17 -0.08 -0.33 0.37 0.00 0.00 175.52 176.30 3d3v h GLU 73 N 0.95 0.05 -5.34 6.66 3.07 -1.88 -3.45 114.58 114.64 3d3v h GLU 73 Ca 0.32 -0.06 -0.62 0.00 -0.50 0.00 0.00 59.36 58.51 3d3v h GLU 73 Cb 0.08 0.02 -0.14 0.00 -0.84 0.00 0.00 28.75 27.87 3d3v h GLU 73 CO -0.10 0.88 -0.53 -0.51 -1.40 0.00 0.00 179.01 177.35 3d3v s ASP 74 N -6.15 5.87 -0.49 1.42 1.01 -1.24 -2.92 116.67 114.17 3d3v s ASP 74 Ca -0.17 0.17 0.06 0.00 0.71 0.00 0.00 52.55 53.31 3d3v s ASP 74 Cb -0.01 -1.99 0.22 0.00 1.01 0.00 0.00 42.92 42.15 3d3v s ASP 74 CO 0.70 0.21 0.52 0.33 0.21 0.00 0.00 175.17 177.14 3d3v n PHE 75 N 3.32 0.78 -2.49 4.23 7.35 -0.85 -4.38 117.46 125.43 3d3v n PHE 75 Ca -0.17 -3.71 -0.41 0.00 -0.76 0.00 0.00 57.45 52.40 3d3v n PHE 75 Cb 0.52 -0.27 -0.04 0.00 0.35 0.00 0.00 39.48 40.05 3d3v n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3d3v s PRO 76 N -1.16 4.63 -0.27 -7.13 0.02 -1.24 -4.36 135.00 125.49 3d3v s PRO 76 Ca 0.34 1.77 -0.10 0.00 0.02 0.00 0.00 61.00 63.04 3d3v s PRO 76 Cb 0.10 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 3d3v s PRO 76 CO -0.12 0.17 0.15 -1.17 -0.33 0.00 0.00 177.00 175.70 3d3v s LEU 77 N -1.08 3.81 -0.12 -5.54 2.96 -0.52 -3.23 118.68 114.95 3d3v s LEU 77 Ca 0.46 -0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.23 3d3v s LEU 77 Cb -0.31 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 3d3v s LEU 77 CO 0.39 -0.04 0.09 0.00 -1.32 0.00 0.00 176.35 175.47 3d3v s ARG 78 N 1.70 3.39 -0.44 1.98 3.03 0.20 -1.44 118.95 127.37 3d3v s ARG 78 Ca 0.07 -0.23 -0.13 0.00 2.03 0.00 0.00 55.73 57.47 3d3v s ARG 78 Cb -0.16 -3.09 0.07 0.00 -1.03 0.00 0.00 34.95 30.74 3d3v s ARG 78 CO 0.08 0.69 0.32 -0.51 -1.13 0.00 0.00 175.30 174.76 3d3v s LEU 79 N -0.80 5.33 -0.03 -1.89 1.02 -0.40 -0.69 118.68 121.22 3d3v s LEU 79 Ca 0.13 -1.32 -0.25 0.00 0.02 0.00 0.00 54.13 52.72 3d3v s LEU 79 Cb -0.12 -2.10 -0.20 0.00 0.02 0.00 0.00 46.19 43.79 3d3v s LEU 79 CO 0.03 -0.57 1.18 0.25 0.02 0.00 0.00 176.35 177.26 3d3v h LEU 80 N 8.59 0.12 -7.90 1.79 5.85 -1.83 -3.06 115.31 118.88 3d3v h LEU 80 Ca -0.26 -0.60 -0.65 0.00 0.84 0.00 0.00 57.88 57.21 3d3v h LEU 80 Cb 1.10 -0.03 -0.36 0.00 0.37 0.00 0.00 40.66 41.73 3d3v h LEU 80 CO 0.80 0.70 -0.82 -0.55 -0.34 0.00 0.00 178.44 178.23 3d3v s SER 81 N -5.96 3.74 0.48 1.25 0.15 -1.26 -3.64 113.70 108.47 3d3v s SER 81 Ca -0.16 -1.03 -0.22 0.00 0.70 0.00 0.00 55.95 55.25 3d3v s SER 81 Cb 0.02 -1.43 -0.07 0.00 -1.71 0.00 0.00 66.02 62.82 3d3v s SER 81 CO 0.70 -0.12 1.13 0.00 1.20 0.00 0.00 173.24 176.15 3d3v s ALA 82 N 1.25 2.89 -0.07 5.45 0.00 -0.53 -4.76 121.76 125.99 3d3v s ALA 82 Ca -0.03 0.84 -0.08 0.00 0.00 0.00 0.00 51.96 52.70 3d3v s ALA 82 Cb -0.17 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.62 3d3v s ALA 82 CO -0.08 -0.61 0.21 0.00 0.00 0.00 0.00 175.76 175.28 3d3v s ALA 83 N -1.67 -0.52 -1.49 0.00 0.00 -1.26 -1.69 121.76 115.13 3d3v s ALA 83 Ca 0.66 0.49 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3d3v s ALA 83 Cb -0.25 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.60 3d3v s ALA 83 CO 0.30 -0.13 0.64 -2.30 0.00 0.00 0.00 175.76 174.28 3d3v n PRO 84 N 2.66 0.00 -0.30 0.00 -0.02 -1.26 -0.88 135.00 135.21 3d3v n PRO 84 Ca -0.14 0.17 0.11 0.00 -2.02 0.00 0.00 63.50 61.62 3d3v n PRO 84 Cb 0.58 -1.52 0.27 0.00 -0.02 0.00 0.00 33.50 32.82 3d3v n PRO 84 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3d3v n SER 85 N -1.14 3.72 -0.30 2.55 3.41 -1.26 -3.68 113.62 116.91 3d3v n SER 85 Ca 0.00 -1.99 0.06 0.00 -0.26 0.00 0.00 58.87 56.68 3d3v n SER 85 Cb 0.02 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 3d3v n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d3v n GLN 86 N 1.53 1.81 -1.54 4.33 6.02 -0.06 -4.92 117.38 124.56 3d3v n GLN 86 Ca 0.22 -0.74 -0.41 0.00 -0.01 0.00 0.00 57.00 56.06 3d3v n GLN 86 Cb 0.60 -1.16 -0.05 0.00 1.02 0.00 0.00 30.24 30.65 3d3v n GLN 86 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3d3v n THR 87 N -0.11 0.08 -3.27 5.09 -1.04 -1.24 -4.84 114.28 108.94 3d3v n THR 87 Ca 0.05 -0.55 -0.03 0.00 -2.04 0.00 0.00 64.05 61.49 3d3v n THR 87 Cb 0.26 -2.34 0.01 0.00 -1.82 0.00 0.00 70.33 66.44 3d3v n THR 87 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3d3v n SER 88 N 13.36 -0.57 -4.47 8.00 2.88 -0.81 -5.00 113.62 127.02 3d3v n SER 88 Ca 0.39 -1.43 -0.35 0.00 -1.33 0.00 0.00 58.87 56.15 3d3v n SER 88 Cb 0.42 0.95 -0.12 0.00 -0.75 0.00 0.00 64.21 64.71 3d3v n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3d3v s VAL 89 N -2.74 4.06 -0.20 2.46 1.01 -1.21 0.02 120.40 123.81 3d3v s VAL 89 Ca 0.05 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 3d3v s VAL 89 Cb -0.01 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3d3v s VAL 89 CO 0.03 0.42 0.03 -0.31 0.00 0.00 0.00 175.10 175.28 3d3v s TYR 90 N 0.98 3.11 -0.23 5.22 1.51 0.07 -0.43 117.35 127.58 3d3v s TYR 90 Ca 0.02 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 3d3v s TYR 90 Cb -0.14 -2.10 0.03 0.00 -0.11 0.00 0.00 41.96 39.64 3d3v s TYR 90 CO 0.02 -0.12 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.16 3d3v s PHE 91 N 0.85 3.01 0.41 2.71 0.08 0.44 -1.96 117.98 123.53 3d3v s PHE 91 Ca 0.02 -1.78 -0.26 0.00 0.12 0.00 0.00 56.93 55.04 3d3v s PHE 91 Cb -0.14 -1.98 -0.08 0.00 -0.57 0.00 0.00 43.02 40.25 3d3v s PHE 91 CO 0.02 -0.79 1.28 0.00 -0.10 0.00 0.00 175.22 175.63 3d3v s ALA 93 N -1.30 -1.10 0.07 0.00 0.00 -0.71 0.11 121.76 118.84 3d3v s ALA 93 Ca 0.58 1.48 0.10 0.00 0.00 0.00 0.00 51.96 54.11 3d3v s ALA 93 Cb -0.37 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3d3v s ALA 93 CO 0.47 -0.63 -0.26 0.45 0.00 0.00 0.00 175.76 175.79 3d3v s SER 94 N 2.31 3.29 -0.10 0.00 0.15 0.20 -0.71 113.70 118.84 3d3v s SER 94 Ca -0.03 -0.62 -0.07 0.00 0.70 0.00 0.00 55.95 55.92 3d3v s SER 94 Cb -0.11 -0.30 0.03 0.00 -1.71 0.00 0.00 66.02 63.93 3d3v s SER 94 CO -0.13 0.23 0.24 -0.60 1.20 0.00 0.00 173.24 174.19 3d3v s ARG 95 N -1.53 0.26 0.15 5.44 3.52 0.13 -0.09 118.95 126.82 3d3v s ARG 95 Ca 0.13 0.40 -0.12 0.00 -0.13 0.00 0.00 55.73 56.01 3d3v s ARG 95 Cb -0.10 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.34 3d3v s ARG 95 CO 0.04 -0.08 1.56 -1.35 -0.81 0.00 0.00 175.30 174.66 3d3v h PRO 96 N 6.26 0.90 0.00 5.12 0.11 -1.84 -0.29 132.00 142.26 3d3v h PRO 96 Ca -0.31 -0.34 0.00 0.00 0.11 0.00 0.00 66.00 65.46 3d3v h PRO 96 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3d3v h PRO 96 CO 0.36 0.99 0.00 0.41 -0.21 0.00 0.00 178.00 179.55 3d3v n GLY 97 N -0.22 1.55 0.00 -0.55 0.00 -1.26 -2.01 105.19 102.69 3d3v n GLY 97 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.61 3d3v n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d3v n LEU 98 N 0.00 0.72 0.15 0.99 4.32 -1.26 -4.59 117.00 117.33 3d3v n LEU 98 Ca 0.00 -0.49 0.06 0.00 -0.02 0.00 0.00 56.01 55.56 3d3v n LEU 98 Cb 0.00 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.86 3d3v n LEU 98 CO 0.00 0.18 0.47 0.00 -1.22 0.00 0.00 177.39 176.82 3d3v h ALA 99 N 2.17 0.77 0.00 -1.18 0.00 -1.91 -3.49 119.26 115.62 3d3v h ALA 99 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3d3v h ALA 99 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3d3v h ALA 99 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.04 3d3v n GLY 100 N 1.19 -1.87 3.14 0.00 0.00 -1.26 -5.13 105.19 101.26 3d3v n GLY 100 Ca 0.01 0.63 -0.38 0.00 0.00 0.00 0.00 46.02 46.29 3d3v n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d3v s GLY 101 N 0.00 2.77 0.00 -0.02 0.00 -1.26 -4.85 107.32 103.96 3d3v s GLY 101 Ca 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 44.72 41.20 3d3v s GLY 101 CO 0.00 1.16 0.00 0.54 0.00 0.00 0.00 173.10 174.80 3d3v n ARG 102 N 3.07 0.00 -0.44 2.90 5.12 -1.26 -4.89 116.66 121.16 3d3v n ARG 102 Ca 0.14 0.45 0.37 0.00 -1.93 0.00 0.00 57.85 56.88 3d3v n ARG 102 Cb 0.39 -0.19 0.56 0.00 -1.16 0.00 0.00 32.46 32.06 3d3v n ARG 102 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3d3v n PRO 103 N 0.32 0.00 -0.88 5.56 -0.02 -1.26 -4.71 135.00 134.01 3d3v n PRO 103 Ca 0.00 0.87 -0.34 0.00 -2.02 0.00 0.00 63.50 62.01 3d3v n PRO 103 Cb 0.00 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.36 3d3v n PRO 103 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3d3v n GLU 105 N -3.33 0.00 -4.34 -0.52 1.02 -1.26 -4.81 120.64 107.39 3d3v n GLU 105 Ca 0.30 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.11 3d3v n GLU 105 Cb 1.52 -0.83 -0.11 0.00 -0.02 0.00 0.00 31.44 32.00 3d3v n GLU 105 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3d3v s GLN 106 N 0.60 3.65 0.31 3.49 0.74 -1.26 -4.45 119.66 122.74 3d3v s GLN 106 Ca 0.53 -0.48 0.06 0.00 0.05 0.00 0.00 55.36 55.52 3d3v s GLN 106 Cb -0.75 -2.94 -0.02 0.00 1.10 0.00 0.00 33.01 30.40 3d3v s GLN 106 CO 0.36 0.29 0.42 0.71 -0.55 0.00 0.00 175.29 176.53 3d3v s TYR 107 N 0.23 3.19 0.02 1.67 2.02 0.86 -4.91 117.35 120.43 3d3v s TYR 107 Ca -0.01 -0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.56 3d3v s TYR 107 Cb -0.14 -1.85 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3d3v s TYR 107 CO 0.02 0.14 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.95 3d3v s PHE 108 N -2.13 1.16 0.85 2.71 0.40 -1.26 0.59 117.98 120.30 3d3v s PHE 108 Ca 0.41 -0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 56.33 3d3v s PHE 108 Cb -0.09 -0.71 0.10 0.00 0.51 0.00 0.00 43.02 42.83 3d3v s PHE 108 CO 0.30 0.01 1.15 0.20 0.70 0.00 0.00 175.22 177.58 3d3v s GLY 109 N -0.76 1.59 0.00 4.36 0.00 0.12 -4.62 107.32 108.01 3d3v s GLY 109 Ca 0.03 -0.54 0.30 0.00 0.00 0.00 0.00 44.72 44.51 3d3v s GLY 109 CO 0.00 -0.02 2.04 -1.55 0.00 0.00 0.00 173.10 173.57 3d3v n PRO 110 N -3.54 0.65 0.00 2.90 -0.04 -1.26 -4.73 135.00 128.99 3d3v n PRO 110 Ca 0.07 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 3d3v n PRO 110 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3d3v n PRO 110 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d3v n GLY 111 N 1.21 0.48 2.93 0.55 0.00 -1.26 -4.99 105.19 104.12 3d3v n GLY 111 Ca 0.17 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 3d3v n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d3v s THR 112 N -2.80 1.48 -0.28 2.61 2.01 -0.83 -4.49 115.64 113.35 3d3v s THR 112 Ca 0.00 -1.17 -0.29 0.00 0.31 0.00 0.00 61.69 60.54 3d3v s THR 112 Cb 0.00 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.77 3d3v s THR 112 CO 0.00 -0.08 1.24 -0.13 -0.69 0.00 0.00 174.62 174.95 3d3v s ARG 113 N 1.42 4.02 -0.15 4.92 0.52 -0.21 -0.75 118.95 128.71 3d3v s ARG 113 Ca -0.05 1.29 0.01 0.00 -0.52 0.00 0.00 55.73 56.46 3d3v s ARG 113 Cb -0.19 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 31.47 3d3v s ARG 113 CO -0.06 -0.97 -0.16 -1.17 0.02 0.00 0.00 175.30 172.95 3d3v s LEU 114 N 4.00 2.40 -0.23 2.53 2.96 0.10 -1.25 118.68 129.21 3d3v s LEU 114 Ca 0.53 -0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3d3v s LEU 114 Cb -0.17 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 3d3v s LEU 114 CO 0.19 0.08 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.40 3d3v s THR 115 N 0.85 3.61 -0.30 3.68 2.01 -0.23 -1.93 115.64 123.34 3d3v s THR 115 Ca -0.05 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 3d3v s THR 115 Cb -0.15 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.70 3d3v s THR 115 CO -0.01 0.40 0.10 -0.69 -0.69 0.00 0.00 174.62 173.74 3d3v s VAL 116 N 1.50 4.20 0.15 3.82 1.01 -1.26 -0.99 120.40 128.84 3d3v s VAL 116 Ca 0.06 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.58 3d3v s VAL 116 Cb -0.14 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3d3v s VAL 116 CO -0.01 0.10 -0.21 0.28 0.00 0.00 0.00 175.10 175.25 3d3v s THR 116 N 1.55 2.60 0.12 3.92 -1.32 -0.71 -4.25 115.64 117.54 3d3v s THR 116 Ca 0.04 -1.76 -0.10 0.00 -1.21 0.00 0.00 61.69 58.66 3d3v s THR 116 Cb -0.17 -2.22 -0.14 0.00 -1.51 0.00 0.00 72.50 68.47 3d3v s THR 116 CO 0.04 -0.00 1.34 -0.08 -2.21 0.00 0.00 174.62 173.71 3d3v h GLU 117 N 3.48 0.74 -4.76 7.08 4.81 -1.94 -2.57 114.58 121.42 3d3v h GLU 117 Ca -0.49 -0.58 -0.58 0.00 -0.13 0.00 0.00 59.36 57.58 3d3v h GLU 117 Cb 1.19 0.12 -0.34 0.00 0.63 0.00 0.00 28.75 30.34 3d3v h GLU 117 CO 0.46 1.20 -0.83 0.34 -0.73 0.00 0.00 179.01 179.44 3d3v s ASP 118 N -7.07 2.32 0.14 1.04 2.15 -1.26 -4.26 116.67 109.74 3d3v s ASP 118 Ca -0.09 -0.40 0.26 0.00 0.43 0.00 0.00 52.55 52.74 3d3v s ASP 118 Cb 0.09 -1.05 0.94 0.00 -0.30 0.00 0.00 42.92 42.61 3d3v s ASP 118 CO 0.89 0.04 1.81 -0.11 -0.17 0.00 0.00 175.17 177.63 3d3v n LEU 119 N 4.00 0.54 0.32 -1.34 7.94 -1.26 -2.52 117.00 124.67 3d3v n LEU 119 Ca -0.20 0.56 0.21 0.00 -1.11 0.00 0.00 56.01 55.47 3d3v n LEU 119 Cb 0.52 -0.40 1.10 0.00 0.53 0.00 0.00 43.42 45.17 3d3v n LEU 119 CO 0.25 -0.16 1.13 0.11 -1.11 0.00 0.00 177.39 177.61 3d3v h LYS 120 N 0.00 0.00 0.00 1.96 1.57 -1.99 -2.86 116.57 115.25 3d3v h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d3v h LYS 120 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3d3v h LYS 120 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3d3v n ASN 121 N -3.01 0.00 -4.66 0.86 3.02 -1.05 -4.79 115.26 105.62 3d3v n ASN 121 Ca -0.02 0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 54.49 3d3v n ASN 121 Cb 0.10 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 3d3v n ASN 121 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d3v s VAL 122 N -2.87 4.78 -0.03 2.41 1.01 -1.08 -4.57 120.40 120.04 3d3v s VAL 122 Ca 0.07 1.83 0.03 0.00 0.00 0.00 0.00 61.98 63.91 3d3v s VAL 122 Cb 0.08 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 3d3v s VAL 122 CO 0.20 -0.08 -0.13 -0.36 0.00 0.00 0.00 175.10 174.74 3d3v s PHE 123 N 2.67 1.28 0.81 5.22 0.08 0.17 -4.75 117.98 123.47 3d3v s PHE 123 Ca 0.41 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 57.02 3d3v s PHE 123 Cb -0.16 -0.87 0.08 0.00 -0.57 0.00 0.00 43.02 41.50 3d3v s PHE 123 CO 0.10 -0.11 1.15 -1.25 -0.10 0.00 0.00 175.22 175.01 3d3v s PRO 124 N 0.03 1.97 0.36 0.24 0.04 -1.26 -1.86 135.00 134.52 3d3v s PRO 124 Ca -0.02 0.25 -0.03 0.00 0.04 0.00 0.00 61.00 61.25 3d3v s PRO 124 Cb -0.09 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3d3v s PRO 124 CO 0.01 -1.62 0.61 -1.25 0.04 0.00 0.00 177.00 174.79 3d3v s PRO 125 N -5.45 3.55 -0.16 0.56 0.05 -1.26 -4.21 135.00 128.07 3d3v s PRO 125 Ca 0.62 -0.09 -0.11 0.00 0.05 0.00 0.00 61.00 61.46 3d3v s PRO 125 Cb -0.12 -2.59 -0.05 0.00 0.05 0.00 0.00 34.50 31.80 3d3v s PRO 125 CO 0.51 0.09 0.19 -1.21 0.05 0.00 0.00 177.00 176.63 3d3v s GLU 126 N -4.17 4.07 -0.11 4.56 2.02 -0.15 -4.88 118.70 120.04 3d3v s GLU 126 Ca 0.43 -0.08 0.02 0.00 0.02 0.00 0.00 54.97 55.36 3d3v s GLU 126 Cb -0.10 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 3d3v s GLU 126 CO 0.36 0.38 -0.18 0.08 0.02 0.00 0.00 175.26 175.92 3d3v s VAL 127 N 0.08 2.59 -0.01 2.63 1.01 -1.26 -0.88 120.40 124.55 3d3v s VAL 127 Ca 0.13 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.33 3d3v s VAL 127 Cb -0.12 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3d3v s VAL 127 CO 0.02 0.54 -0.20 0.00 0.00 0.00 0.00 175.10 175.46 3d3v s ALA 128 N 0.28 1.68 -0.18 5.51 0.00 -0.74 -4.44 121.76 123.89 3d3v s ALA 128 Ca -0.13 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 3d3v s ALA 128 Cb -0.17 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3d3v s ALA 128 CO 0.07 0.41 0.06 0.08 0.00 0.00 0.00 175.76 176.38 3d3v s VAL 129 N -0.49 4.75 -0.16 0.00 1.01 -1.26 -2.50 120.40 121.75 3d3v s VAL 129 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 3d3v s VAL 129 Cb -0.08 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3d3v s VAL 129 CO -0.01 0.47 0.11 -0.36 0.00 0.00 0.00 175.10 175.31 3d3v s PHE 130 N 0.29 3.42 0.12 5.22 0.08 0.18 -4.94 117.98 122.35 3d3v s PHE 130 Ca 0.03 0.33 -0.21 0.00 0.12 0.00 0.00 56.93 57.20 3d3v s PHE 130 Cb -0.12 -2.03 -0.07 0.00 -0.57 0.00 0.00 43.02 40.23 3d3v s PHE 130 CO 0.00 0.44 0.65 -1.21 -0.10 0.00 0.00 175.22 175.00 3d3v s GLU 131 N -0.25 4.32 0.41 0.44 2.02 -1.26 -2.61 118.70 121.77 3d3v s GLU 131 Ca 0.10 0.88 -0.25 0.00 0.02 0.00 0.00 54.97 55.72 3d3v s GLU 131 Cb -0.12 -3.21 -0.11 0.00 0.10 0.00 0.00 34.13 30.80 3d3v s GLU 131 CO 0.01 0.59 1.06 -0.35 0.02 0.00 0.00 175.26 176.59 3d3v n PRO 132 N 1.56 1.46 -2.12 0.39 -0.04 -1.23 -4.92 135.00 130.10 3d3v n PRO 132 Ca -0.08 0.52 -0.37 0.00 -0.04 0.00 0.00 63.50 63.53 3d3v n PRO 132 Cb 0.50 -2.09 0.01 0.00 -0.04 0.00 0.00 33.50 31.88 3d3v n PRO 132 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3d3v s SER 133 N -0.69 5.77 0.30 3.54 0.15 -1.26 -4.94 113.70 116.57 3d3v s SER 133 Ca 0.63 2.40 0.11 0.00 0.70 0.00 0.00 55.95 59.79 3d3v s SER 133 Cb -0.56 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 61.61 3d3v s SER 133 CO 0.57 -1.20 1.68 -0.33 1.20 0.00 0.00 173.24 175.16 3d3v h GLU 134 N 1.64 0.00 -0.14 5.44 5.08 -2.01 -2.54 114.58 122.05 3d3v h GLU 134 Ca -0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 3d3v h GLU 134 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3d3v h GLU 134 CO 0.58 0.54 -0.05 0.00 -1.00 0.00 0.00 179.01 179.09 3d3v h ALA 135 N 1.46 1.65 -0.04 3.43 0.00 -1.94 -2.88 119.26 120.93 3d3v h ALA 135 Ca -0.01 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 3d3v h ALA 135 Cb 0.97 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3d3v h ALA 135 CO 0.07 0.26 -0.76 1.49 0.00 0.00 0.00 179.25 180.31 3d3v h GLU 136 N 0.21 0.59 -0.36 0.00 4.81 -1.80 -3.30 114.58 114.72 3d3v h GLU 136 Ca 0.05 -0.58 -0.16 0.00 -0.13 0.00 0.00 59.36 58.54 3d3v h GLU 136 Cb 0.23 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3d3v h GLU 136 CO 0.01 1.20 -0.41 0.82 -0.73 0.00 0.00 179.01 179.90 3d3v h ILE 137 N 0.20 1.27 -0.31 2.32 2.04 -1.59 -1.90 117.51 119.54 3d3v h ILE 137 Ca -0.08 -1.58 -0.18 0.00 1.00 0.00 0.00 64.86 64.02 3d3v h ILE 137 Cb 1.43 1.42 -0.09 0.00 -0.74 0.00 0.00 36.82 38.84 3d3v h ILE 137 CO 0.15 0.53 0.23 -0.24 0.00 0.00 0.00 178.15 178.82 3d3v n SER 138 N -4.05 4.12 0.00 1.72 2.88 -1.09 -2.30 113.62 114.91 3d3v n SER 138 Ca -0.02 -2.61 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 3d3v n SER 138 Cb 0.55 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 3d3v n SER 138 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 3d3v n HIS 139 N 0.22 -1.13 0.10 0.66 -0.00 -1.20 -4.97 115.22 108.90 3d3v n HIS 139 Ca 0.19 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.93 3d3v n HIS 139 Cb 0.77 0.33 -0.02 0.00 -0.00 0.00 0.00 29.99 31.07 3d3v n HIS 139 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3d3v n THR 140 N -2.16 0.00 -3.37 3.57 -2.24 -0.72 -5.01 114.28 104.35 3d3v n THR 140 Ca 0.00 -0.28 -0.24 0.00 -2.27 0.00 0.00 64.05 61.26 3d3v n THR 140 Cb 0.00 0.75 0.02 0.00 -2.10 0.00 0.00 70.33 69.01 3d3v n THR 140 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d3v n GLN 141 N -1.32 -4.81 -4.22 -0.78 3.00 -0.97 -5.01 117.38 103.27 3d3v n GLN 141 Ca 0.00 0.69 -0.13 0.00 -0.01 0.00 0.00 57.00 57.56 3d3v n GLN 141 Cb 0.08 -5.53 -0.10 0.00 0.00 0.00 0.00 30.24 24.68 3d3v n GLN 141 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3d3v s LYS 142 N -6.05 1.02 -0.19 -1.09 1.02 -1.26 -2.09 119.74 111.10 3d3v s LYS 142 Ca 0.44 -1.46 -0.05 0.00 0.02 0.00 0.00 55.97 54.92 3d3v s LYS 142 Cb -0.21 -0.34 0.06 0.00 -0.52 0.00 0.00 37.83 36.83 3d3v s LYS 142 CO 0.54 -0.05 0.09 0.00 -0.92 0.00 0.00 175.35 175.01 3d3v s ALA 143 N -3.57 0.54 -0.35 5.17 0.00 -0.12 -3.95 121.76 119.47 3d3v s ALA 143 Ca 0.19 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.50 3d3v s ALA 143 Cb 0.05 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.07 3d3v s ALA 143 CO 0.01 -1.23 0.56 0.99 0.00 0.00 0.00 175.76 176.09 3d3v s THR 144 N 2.09 4.96 -0.14 0.00 2.01 -1.26 -2.00 115.64 121.31 3d3v s THR 144 Ca 0.02 0.42 -0.21 0.00 0.31 0.00 0.00 61.69 62.24 3d3v s THR 144 Cb -0.16 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3d3v s THR 144 CO -0.12 -0.26 0.59 -0.76 -0.69 0.00 0.00 174.62 173.38 3d3v s LEU 145 N 2.52 4.23 0.23 4.42 1.02 0.20 -3.53 118.68 127.78 3d3v s LEU 145 Ca 0.21 0.91 0.08 0.00 0.02 0.00 0.00 54.13 55.36 3d3v s LEU 145 Cb -0.15 -2.87 -0.04 0.00 0.02 0.00 0.00 46.19 43.15 3d3v s LEU 145 CO 0.14 -0.14 0.02 0.68 0.02 0.00 0.00 176.35 177.08 3d3v s VAL 146 N 1.18 3.69 -0.24 -1.59 -7.23 -1.07 0.53 120.40 115.66 3d3v s VAL 146 Ca 0.30 -1.65 -0.03 0.00 -1.81 0.00 0.00 61.98 58.79 3d3v s VAL 146 Cb -0.16 -2.93 0.08 0.00 0.56 0.00 0.00 36.38 33.93 3d3v s VAL 146 CO 0.12 -0.26 0.09 0.00 -0.31 0.00 0.00 175.10 174.74 3d3v s LEU 148 N 1.95 4.20 -0.20 0.00 1.43 -1.04 -2.39 118.68 122.63 3d3v s LEU 148 Ca 0.05 1.16 -0.09 0.00 -1.03 0.00 0.00 54.13 54.22 3d3v s LEU 148 Cb -0.17 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 3d3v s LEU 148 CO -0.21 -0.34 0.10 0.00 0.23 0.00 0.00 176.35 176.13 3d3v s ALA 149 N 1.87 3.49 0.04 4.21 0.00 0.61 -1.79 121.76 130.19 3d3v s ALA 149 Ca 0.38 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 3d3v s ALA 149 Cb -0.17 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 3d3v s ALA 149 CO 0.14 0.03 -0.00 0.95 0.00 0.00 0.00 175.76 176.88 3d3v s THR 150 N 0.64 0.16 -0.61 0.00 -4.23 -0.06 -0.23 115.64 111.31 3d3v s THR 150 Ca 0.05 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.21 3d3v s THR 150 Cb -0.13 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.80 3d3v s THR 150 CO 0.01 -0.72 0.53 0.61 -0.54 0.00 0.00 174.62 174.51 3d3v n GLY 151 N 0.80 0.28 3.34 3.99 0.00 -0.67 -0.98 105.19 111.95 3d3v n GLY 151 Ca -0.19 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 3d3v n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d3v s PHE 152 N -3.14 2.24 -0.07 1.61 -0.71 -0.91 -4.55 117.98 112.45 3d3v s PHE 152 Ca 0.26 -0.40 -0.04 0.00 -1.04 0.00 0.00 56.93 55.71 3d3v s PHE 152 Cb -0.12 -1.32 0.03 0.00 -1.21 0.00 0.00 43.02 40.40 3d3v s PHE 152 CO 0.33 0.15 0.16 -0.47 -1.34 0.00 0.00 175.22 174.05 3d3v s TYR 153 N -0.85 -0.18 0.81 3.49 5.04 -0.78 0.94 117.35 125.82 3d3v s TYR 153 Ca 0.11 0.48 -0.07 0.00 -2.44 0.00 0.00 57.07 55.15 3d3v s TYR 153 Cb -0.10 -0.01 0.17 0.00 0.35 0.00 0.00 41.96 42.37 3d3v s TYR 153 CO 0.03 -0.14 1.10 -2.30 -1.34 0.00 0.00 175.55 172.90 3d3v n PRO 154 N 3.73 -0.59 -0.37 4.97 -0.02 -1.26 -0.65 135.00 140.80 3d3v n PRO 154 Ca -0.21 -2.34 -0.02 0.00 -2.02 0.00 0.00 63.50 58.91 3d3v n PRO 154 Cb 0.55 -0.93 -0.03 0.00 -0.02 0.00 0.00 33.50 33.06 3d3v n PRO 154 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3d3v n ASP 155 N -3.31 2.91 -4.03 2.55 5.75 -1.26 -4.68 116.55 114.47 3d3v n ASP 155 Ca 0.16 -1.87 -0.37 0.00 -0.01 0.00 0.00 54.79 52.70 3d3v n ASP 155 Cb 0.56 -0.68 -0.05 0.00 -1.03 0.00 0.00 41.12 39.93 3d3v n ASP 155 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3d3v n HIS 156 N 2.09 3.97 -4.35 2.11 8.25 -1.26 -4.94 115.22 121.08 3d3v n HIS 156 Ca 0.08 -3.85 -0.18 0.00 -0.26 0.00 0.00 57.72 53.51 3d3v n HIS 156 Cb 0.36 -1.16 -0.10 0.00 1.12 0.00 0.00 29.99 30.21 3d3v n HIS 156 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3d3v s VAL 157 N -1.75 0.73 -0.27 1.59 -7.23 -1.26 -1.89 120.40 110.32 3d3v s VAL 157 Ca 0.30 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 3d3v s VAL 157 Cb -0.03 -2.67 0.13 0.00 0.56 0.00 0.00 36.38 34.37 3d3v s VAL 157 CO -0.07 -0.01 0.29 -1.61 -0.31 0.00 0.00 175.10 173.39 3d3v s GLU 158 N -3.99 0.30 0.44 4.82 2.02 -0.82 -4.97 118.70 116.50 3d3v s GLU 158 Ca 0.37 -0.01 -0.21 0.00 0.02 0.00 0.00 54.97 55.15 3d3v s GLU 158 Cb 0.08 -0.75 -0.11 0.00 0.10 0.00 0.00 34.13 33.46 3d3v s GLU 158 CO 0.14 -0.92 0.96 -1.17 0.02 0.00 0.00 175.26 174.30 3d3v s LEU 159 N 2.37 3.92 -0.19 1.80 0.20 -1.26 -1.82 118.68 123.71 3d3v s LEU 159 Ca 0.09 1.73 -0.20 0.00 0.69 0.00 0.00 54.13 56.44 3d3v s LEU 159 Cb -0.14 -4.54 0.05 0.00 -0.43 0.00 0.00 46.19 41.13 3d3v s LEU 159 CO -0.27 -0.43 0.55 -0.94 -0.29 0.00 0.00 176.35 174.97 3d3v s SER 160 N -2.15 -0.57 -0.07 3.68 1.04 0.04 -4.99 113.70 110.69 3d3v s SER 160 Ca 0.63 1.04 -0.03 0.00 0.48 0.00 0.00 55.95 58.07 3d3v s SER 160 Cb -0.10 1.05 -0.04 0.00 0.10 0.00 0.00 66.02 67.03 3d3v s SER 160 CO 0.14 -0.24 0.09 0.26 0.98 0.00 0.00 173.24 174.48 3d3v s TRP 161 N 0.11 3.39 -0.24 5.02 0.52 -1.26 0.18 118.94 126.65 3d3v s TRP 161 Ca -0.01 0.34 -0.01 0.00 0.02 0.00 0.00 56.10 56.43 3d3v s TRP 161 Cb -0.04 -1.83 0.07 0.00 -1.15 0.00 0.00 33.47 30.52 3d3v s TRP 161 CO 0.02 0.61 0.03 -1.58 0.02 0.00 0.00 176.95 176.04 3d3v s TRP 162 N -1.06 1.65 -0.10 -1.98 0.52 0.35 -1.88 118.94 116.44 3d3v s TRP 162 Ca 0.18 -1.40 -0.14 0.00 0.02 0.00 0.00 56.10 54.75 3d3v s TRP 162 Cb -0.12 -1.42 -0.05 0.00 -1.15 0.00 0.00 33.47 30.73 3d3v s TRP 162 CO 0.07 -0.74 0.34 0.14 0.02 0.00 0.00 176.95 176.78 3d3v s VAL 163 N 1.64 5.23 -0.26 4.03 -7.23 0.35 -1.87 120.40 122.30 3d3v s VAL 163 Ca 0.01 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 3d3v s VAL 163 Cb -0.18 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.11 3d3v s VAL 163 CO -0.13 0.47 0.00 0.59 -0.31 0.00 0.00 175.10 175.72 3d3v n ASN 164 N 2.86 -3.72 0.00 4.85 3.02 -0.27 -0.08 115.26 121.92 3d3v n ASN 164 Ca -0.13 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3d3v n ASN 164 Cb 0.52 -2.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.14 3d3v n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d3v n GLY 165 N 0.47 2.02 3.39 7.41 0.00 -1.26 -5.00 105.19 112.21 3d3v n GLY 165 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3d3v n GLY 165 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d3v s LYS 166 N 0.00 1.46 -0.21 1.61 2.20 0.89 -5.07 119.74 120.61 3d3v s LYS 166 Ca 0.00 -1.32 -0.25 0.00 -0.36 0.00 0.00 55.97 54.05 3d3v s LYS 166 Cb 0.00 -1.92 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 3d3v s LYS 166 CO 0.00 0.46 0.83 -2.00 -0.36 0.00 0.00 175.35 174.28 3d3v s GLU 167 N -1.96 4.23 -0.12 4.03 2.12 -1.26 -0.49 118.70 125.24 3d3v s GLU 167 Ca 0.14 0.97 -0.14 0.00 0.36 0.00 0.00 54.97 56.29 3d3v s GLU 167 Cb -0.10 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 3d3v s GLU 167 CO 0.06 -0.44 0.33 0.14 -0.54 0.00 0.00 175.26 174.80 3d3v s VAL 168 N 2.56 5.25 -0.71 3.70 -7.23 -0.79 -4.89 120.40 118.30 3d3v s VAL 168 Ca 0.36 0.63 0.14 0.00 -1.81 0.00 0.00 61.98 61.31 3d3v s VAL 168 Cb -0.16 -3.65 -0.15 0.00 0.56 0.00 0.00 36.38 32.98 3d3v s VAL 168 CO 0.09 0.44 0.62 1.41 -0.31 0.00 0.00 175.10 177.35 3d3v n HIS 169 N 3.12 0.00 1.16 2.82 8.25 -1.26 -4.44 115.22 124.86 3d3v n HIS 169 Ca -0.12 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.48 3d3v n HIS 169 Cb 0.52 0.00 0.63 0.00 1.12 0.00 0.00 29.99 32.27 3d3v n HIS 169 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3d3v n SER 170 N -1.31 0.07 -0.38 0.41 7.64 -1.26 -3.64 113.62 115.15 3d3v n SER 170 Ca 0.03 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.07 3d3v n SER 170 Cb 0.23 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 3d3v n SER 170 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d3v n GLY 171 N 1.42 -0.15 3.69 0.23 0.00 -1.26 -5.06 105.19 104.05 3d3v n GLY 171 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3d3v n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d3v s VAL 172 N 0.00 4.44 -0.25 1.61 0.11 -1.24 -2.77 120.40 122.30 3d3v s VAL 172 Ca 0.00 -0.20 0.02 0.00 -2.93 0.00 0.00 61.98 58.87 3d3v s VAL 172 Cb 0.00 -2.88 0.06 0.00 -1.53 0.00 0.00 36.38 32.03 3d3v s VAL 172 CO 0.00 0.60 -0.06 -0.94 -3.33 0.00 0.00 175.10 171.36 3d3v s SER 173 N -0.79 4.09 0.26 3.54 1.04 -1.13 -5.00 113.70 115.70 3d3v s SER 173 Ca 0.12 -1.30 -0.16 0.00 0.48 0.00 0.00 55.95 55.10 3d3v s SER 173 Cb -0.12 -1.31 -0.08 0.00 0.10 0.00 0.00 66.02 64.61 3d3v s SER 173 CO 0.02 -0.23 0.69 -0.89 0.98 0.00 0.00 173.24 173.81 3d3v s THR 174 N 1.28 4.69 0.34 2.02 2.01 -1.26 -1.59 115.64 123.13 3d3v s THR 174 Ca -0.06 0.99 -0.28 0.00 0.31 0.00 0.00 61.69 62.65 3d3v s THR 174 Cb -0.19 -3.71 -0.12 0.00 0.01 0.00 0.00 72.50 68.49 3d3v s THR 174 CO -0.06 0.01 1.36 0.47 -0.69 0.00 0.00 174.62 175.70 3d3v n ASP 175 N 0.16 3.07 0.11 3.53 8.00 -0.64 -4.96 116.55 125.82 3d3v n ASP 175 Ca 0.00 1.21 -0.12 0.00 0.71 0.00 0.00 54.79 56.59 3d3v n ASP 175 Cb 0.52 -1.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.04 3d3v n ASP 175 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3d3v h PRO 176 N 2.82 -0.39 -4.39 -0.24 0.13 -1.96 -3.45 132.00 124.52 3d3v h PRO 176 Ca -0.47 0.03 -0.44 0.00 -0.87 0.00 0.00 66.00 64.24 3d3v h PRO 176 Cb 1.27 0.09 -0.32 0.00 0.13 0.00 0.00 31.00 32.16 3d3v h PRO 176 CO 0.64 -0.26 -0.79 1.14 -0.23 0.00 0.00 178.00 178.50 3d3v s GLN 177 N -6.09 1.10 0.21 0.86 -2.07 -1.26 -5.12 119.66 107.28 3d3v s GLN 177 Ca -0.15 -0.26 -0.32 0.00 -1.82 0.00 0.00 55.36 52.81 3d3v s GLN 177 Cb 0.08 -1.00 -0.14 0.00 -1.09 0.00 0.00 33.01 30.85 3d3v s GLN 177 CO 0.65 0.03 1.29 -2.30 -1.32 0.00 0.00 175.29 173.64 3d3v n PRO 178 N 3.67 1.64 -3.59 9.60 -0.02 -1.26 -4.98 135.00 140.05 3d3v n PRO 178 Ca -0.22 0.58 -0.38 0.00 -2.02 0.00 0.00 63.50 61.47 3d3v n PRO 178 Cb 0.52 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 3d3v n PRO 178 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3d3v s LEU 179 N 0.34 4.42 -0.20 2.45 0.20 0.35 -4.86 118.68 121.39 3d3v s LEU 179 Ca 0.70 0.79 -0.29 0.00 0.69 0.00 0.00 54.13 56.02 3d3v s LEU 179 Cb -0.74 -2.44 -0.02 0.00 -0.43 0.00 0.00 46.19 42.55 3d3v s LEU 179 CO 0.51 0.31 1.50 -0.54 -0.29 0.00 0.00 176.35 177.84 3d3v s LYS 180 N -0.84 3.95 0.02 1.98 1.02 -1.26 -1.59 119.74 123.03 3d3v s LYS 180 Ca 0.21 1.66 -0.25 0.00 0.02 0.00 0.00 55.97 57.61 3d3v s LYS 180 Cb -0.15 -3.95 -0.18 0.00 -0.52 0.00 0.00 37.83 33.03 3d3v s LYS 180 CO 0.10 -1.09 1.41 0.93 -0.92 0.00 0.00 175.35 175.78 3d3v h GLU 181 N 9.84 -0.09 -3.07 1.68 5.08 -1.54 -3.35 114.58 123.14 3d3v h GLU 181 Ca -0.32 0.01 -0.62 0.00 -1.00 0.00 0.00 59.36 57.43 3d3v h GLU 181 Cb 1.14 0.02 -0.40 0.00 0.50 0.00 0.00 28.75 30.01 3d3v h GLU 181 CO 0.99 0.22 -0.71 -0.65 -1.00 0.00 0.00 179.01 177.86 3d3v s GLN 182 N -4.94 1.43 -0.14 2.33 -0.21 -1.26 -5.03 119.66 111.84 3d3v s GLN 182 Ca -0.15 -2.14 -0.02 0.00 0.02 0.00 0.00 55.36 53.08 3d3v s GLN 182 Cb 0.03 -2.54 -0.05 0.00 1.00 0.00 0.00 33.01 31.45 3d3v s GLN 182 CO 0.64 -1.15 1.35 -0.35 -2.12 0.00 0.00 175.29 173.66 3d3v n PRO 183 N 3.45 0.65 -0.04 2.91 -0.04 -1.26 -3.26 135.00 137.40 3d3v n PRO 183 Ca 0.08 -0.49 -0.09 0.00 -0.04 0.00 0.00 63.50 62.96 3d3v n PRO 183 Cb 0.34 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 3d3v n PRO 183 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d3v n ALA 184 N 3.51 2.28 -1.93 0.55 0.00 -1.26 -5.05 120.51 118.61 3d3v n ALA 184 Ca 0.14 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.92 3d3v n ALA 184 Cb 0.17 0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3d3v n ALA 184 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3d3v s LEU 185 N -6.24 3.35 0.24 0.00 1.43 -1.20 -4.97 118.68 111.29 3d3v s LEU 185 Ca -0.12 1.36 0.22 0.00 -1.03 0.00 0.00 54.13 54.56 3d3v s LEU 185 Cb 0.04 -4.38 0.05 0.00 0.03 0.00 0.00 46.19 41.94 3d3v s LEU 185 CO 0.16 -0.78 1.14 0.78 0.23 0.00 0.00 176.35 177.88 3d3v h ASN 186 N -0.05 0.00 -0.50 2.29 4.21 -1.97 -3.26 115.58 116.30 3d3v h ASN 186 Ca -0.45 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 56.98 3d3v h ASN 186 Cb 1.19 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.34 3d3v h ASN 186 CO 0.62 0.06 0.08 -0.90 -1.29 0.00 0.00 177.43 175.99 3d3v n ASP 187 N -2.79 4.61 -4.74 5.81 5.75 -1.26 -5.00 116.55 118.92 3d3v n ASP 187 Ca 0.00 -3.12 -0.42 0.00 -0.01 0.00 0.00 54.79 51.24 3d3v n ASP 187 Cb 0.57 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 39.99 3d3v n ASP 187 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3d3v s SER 188 N -1.39 6.38 0.95 -1.12 0.15 -1.23 -5.01 113.70 112.42 3d3v s SER 188 Ca 0.50 2.92 -0.16 0.00 0.70 0.00 0.00 55.95 59.92 3d3v s SER 188 Cb 0.40 -2.63 0.19 0.00 -1.71 0.00 0.00 66.02 62.27 3d3v s SER 188 CO 0.12 -0.93 1.31 -0.13 1.20 0.00 0.00 173.24 174.81 3d3v s ARG 189 N -0.06 0.78 0.16 5.44 0.52 -1.26 -4.83 118.95 119.69 3d3v s ARG 189 Ca 0.66 -0.36 0.05 0.00 -0.52 0.00 0.00 55.73 55.56 3d3v s ARG 189 Cb -0.48 -1.86 -0.05 0.00 0.52 0.00 0.00 34.95 33.08 3d3v s ARG 189 CO 0.44 -2.33 -0.09 0.71 0.02 0.00 0.00 175.30 174.05 3d3v s TYR 190 N -3.86 1.33 0.01 -0.53 1.51 0.27 -1.35 117.35 114.73 3d3v s TYR 190 Ca 0.73 -0.77 -0.01 0.00 -1.01 0.00 0.00 57.07 56.01 3d3v s TYR 190 Cb -0.05 -0.68 -0.01 0.00 -0.11 0.00 0.00 41.96 41.11 3d3v s TYR 190 CO 0.53 0.09 0.02 0.00 -1.11 0.00 0.00 175.55 175.07 3d3v s ALA 191 N -3.31 -0.01 -0.11 3.71 0.00 -0.62 -1.66 121.76 119.75 3d3v s ALA 191 Ca 0.18 -0.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.82 3d3v s ALA 191 Cb 0.03 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.26 3d3v s ALA 191 CO 0.02 -0.11 0.25 -1.17 0.00 0.00 0.00 175.76 174.75 3d3v s LEU 192 N -0.88 0.21 0.21 0.00 2.96 0.69 -0.50 118.68 121.38 3d3v s LEU 192 Ca -0.10 0.55 0.07 0.00 -0.22 0.00 0.00 54.13 54.43 3d3v s LEU 192 Cb -0.06 0.74 -0.04 0.00 0.50 0.00 0.00 46.19 47.33 3d3v s LEU 192 CO -0.00 -0.19 0.11 -0.94 -1.32 0.00 0.00 176.35 174.01 3d3v s SER 193 N 1.56 5.24 0.05 3.68 1.04 -1.26 -0.28 113.70 123.72 3d3v s SER 193 Ca -0.07 -0.29 -0.10 0.00 0.48 0.00 0.00 55.95 55.97 3d3v s SER 193 Cb -0.11 -1.26 0.01 0.00 0.10 0.00 0.00 66.02 64.76 3d3v s SER 193 CO -0.09 0.03 0.21 -0.55 0.98 0.00 0.00 173.24 173.83 3d3v s SER 194 N -3.39 0.02 -0.01 7.02 0.15 -1.00 -1.62 113.70 114.87 3d3v s SER 194 Ca 0.31 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.66 3d3v s SER 194 Cb -0.09 0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 3d3v s SER 194 CO 0.22 -0.59 -0.25 -0.13 1.20 0.00 0.00 173.24 173.70 3d3v s ARG 195 N -2.73 2.09 -0.11 5.44 3.00 -0.62 -1.37 118.95 124.65 3d3v s ARG 195 Ca -0.04 -0.94 -0.02 0.00 0.00 0.00 0.00 55.73 54.73 3d3v s ARG 195 Cb -0.00 -2.07 0.04 0.00 0.00 0.00 0.00 34.95 32.92 3d3v s ARG 195 CO -0.05 0.56 0.01 -1.17 0.00 0.00 0.00 175.30 174.65 3d3v s LEU 196 N -0.77 0.74 -0.08 2.53 2.96 0.19 -2.85 118.68 121.40 3d3v s LEU 196 Ca 0.11 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.72 3d3v s LEU 196 Cb -0.10 -0.49 -0.03 0.00 0.50 0.00 0.00 46.19 46.07 3d3v s LEU 196 CO -0.00 -0.22 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.16 3d3v s ARG 197 N 1.94 2.92 0.21 1.98 3.52 -1.11 0.63 118.95 129.03 3d3v s ARG 197 Ca 0.03 -0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 55.12 3d3v s ARG 197 Cb -0.14 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 3d3v s ARG 197 CO -0.06 0.63 0.12 0.14 -0.81 0.00 0.00 175.30 175.31 3d3v s VAL 198 N -0.70 0.12 0.77 7.11 -7.23 -0.85 -4.69 120.40 114.94 3d3v s VAL 198 Ca 0.11 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 3d3v s VAL 198 Cb -0.11 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.40 3d3v s VAL 198 CO 0.02 -0.04 1.08 -0.94 -0.31 0.00 0.00 175.10 174.91 3d3v s SER 199 N -3.18 4.64 0.31 4.85 1.04 -1.26 -0.94 113.70 119.15 3d3v s SER 199 Ca 0.37 1.57 0.03 0.00 0.48 0.00 0.00 55.95 58.40 3d3v s SER 199 Cb 0.07 -2.33 0.50 0.00 0.10 0.00 0.00 66.02 64.36 3d3v s SER 199 CO 0.11 -1.91 1.80 0.00 0.98 0.00 0.00 173.24 174.22 3d3v h ALA 200 N -1.04 1.23 0.00 5.32 0.00 -1.74 -1.95 119.26 121.07 3d3v h ALA 200 Ca -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3d3v h ALA 200 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3d3v h ALA 200 CO 0.56 0.50 0.00 1.79 0.00 0.00 0.00 179.25 182.10 3d3v h THR 201 N 0.48 0.00 0.19 0.00 1.35 -1.93 -1.48 112.91 111.52 3d3v h THR 201 Ca 0.09 -0.85 -0.31 0.00 -0.55 0.00 0.00 66.41 64.79 3d3v h THR 201 Cb 0.49 1.85 0.03 0.00 -1.73 0.00 0.00 68.15 68.78 3d3v h THR 201 CO 0.03 0.00 -1.36 0.15 -0.25 0.00 0.00 175.52 174.09 3d3v h PHE 202 N 0.00 0.83 -0.17 4.73 3.57 -1.85 -3.19 116.94 120.86 3d3v h PHE 202 Ca 0.00 -0.59 -0.22 0.00 3.53 0.00 0.00 57.97 60.69 3d3v h PHE 202 Cb 0.89 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.60 3d3v h PHE 202 CO 0.00 1.45 -0.75 2.35 -2.23 0.00 0.00 178.31 179.13 3d3v h TRP 203 N 0.15 1.08 0.00 0.41 2.91 -1.29 -3.29 115.95 115.92 3d3v h TRP 203 Ca -0.21 -0.47 0.00 0.00 1.13 0.00 0.00 58.89 59.35 3d3v h TRP 203 Cb 2.06 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 30.54 3d3v h TRP 203 CO 0.11 1.30 0.00 1.04 -1.03 0.00 0.00 178.44 179.86 3d3v n GLN 204 N -3.94 0.21 -2.37 2.65 6.02 -0.57 -3.59 117.38 115.79 3d3v n GLN 204 Ca -0.07 0.24 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 3d3v n GLN 204 Cb 0.73 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 30.19 3d3v n GLN 204 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3d3v s ASN 205 N -4.25 6.53 0.00 1.08 2.47 -1.21 -4.17 114.94 115.40 3d3v s ASN 205 Ca 0.09 1.12 0.27 0.00 0.42 0.00 0.00 52.86 54.77 3d3v s ASN 205 Cb 0.12 -2.54 1.63 0.00 -1.45 0.00 0.00 41.25 39.02 3d3v s ASN 205 CO 0.53 -1.22 2.03 -0.81 -3.72 0.00 0.00 177.10 173.92 3d3v n PRO 206 N 7.61 0.97 0.18 0.43 -0.04 -1.26 -2.43 135.00 140.45 3d3v n PRO 206 Ca 0.16 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.68 3d3v n PRO 206 Cb 0.47 -1.44 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 3d3v n PRO 206 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d3v h ARG 207 N 0.00 0.00 -6.28 0.54 3.08 -1.91 -3.38 114.38 106.43 3d3v h ARG 207 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3d3v h ARG 207 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3d3v h ARG 207 CO 0.00 0.34 1.09 -0.80 -1.07 0.00 0.00 179.97 179.53 3d3v s ASN 208 N -6.34 6.48 -0.15 7.04 0.01 -1.02 -4.95 114.94 116.01 3d3v s ASN 208 Ca 0.04 1.66 -0.05 0.00 -0.71 0.00 0.00 52.86 53.80 3d3v s ASN 208 Cb 0.08 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 3d3v s ASN 208 CO 0.70 -1.17 0.03 -2.28 -1.51 0.00 0.00 177.10 172.88 3d3v s HIS 209 N 4.87 3.22 -0.12 2.20 5.65 -1.26 -1.52 115.29 128.33 3d3v s HIS 209 Ca 0.69 0.08 0.02 0.00 0.25 0.00 0.00 55.06 56.10 3d3v s HIS 209 Cb -0.25 -1.97 0.01 0.00 -1.18 0.00 0.00 32.58 29.19 3d3v s HIS 209 CO 0.28 0.25 -0.20 -0.06 -0.65 0.00 0.00 174.74 174.37 3d3v s PHE 210 N -0.09 2.38 -0.05 3.88 0.40 -0.18 -1.11 117.98 123.22 3d3v s PHE 210 Ca 0.05 -1.15 0.01 0.00 -0.60 0.00 0.00 56.93 55.25 3d3v s PHE 210 Cb -0.12 -1.65 0.02 0.00 0.51 0.00 0.00 43.02 41.78 3d3v s PHE 210 CO 0.01 -0.54 -0.06 0.50 0.70 0.00 0.00 175.22 175.83 3d3v s ARG 211 N 0.82 1.01 -0.21 0.44 3.52 -0.78 -0.96 118.95 122.79 3d3v s ARG 211 Ca -0.08 -0.18 -0.21 0.00 -0.13 0.00 0.00 55.73 55.13 3d3v s ARG 211 Cb -0.16 -0.94 -0.02 0.00 -1.56 0.00 0.00 34.95 32.27 3d3v s ARG 211 CO -0.01 -0.04 0.65 0.00 -0.81 0.00 0.00 175.30 175.09 3d3v s GLN 213 N 2.04 2.95 -0.27 0.00 0.74 0.13 -2.04 119.66 123.21 3d3v s GLN 213 Ca 0.29 -0.78 -0.02 0.00 0.05 0.00 0.00 55.36 54.91 3d3v s GLN 213 Cb -0.16 -2.40 0.09 0.00 1.10 0.00 0.00 33.01 31.63 3d3v s GLN 213 CO 0.10 0.33 0.07 0.08 -0.55 0.00 0.00 175.29 175.32 3d3v s VAL 214 N 0.01 0.71 -0.36 1.34 1.01 -0.94 -0.78 120.40 121.40 3d3v s VAL 214 Ca -0.06 -1.06 -0.26 0.00 0.00 0.00 0.00 61.98 60.59 3d3v s VAL 214 Cb -0.15 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.84 3d3v s VAL 214 CO 0.05 -0.50 0.93 -1.58 0.00 0.00 0.00 175.10 174.00 3d3v s GLN 215 N 1.73 3.87 -0.04 2.72 2.00 -0.75 -1.50 119.66 127.68 3d3v s GLN 215 Ca 0.05 0.63 -0.04 0.00 -2.00 0.00 0.00 55.36 54.01 3d3v s GLN 215 Cb -0.17 -3.79 -0.04 0.00 0.80 0.00 0.00 33.01 29.81 3d3v s GLN 215 CO -0.20 -0.92 0.16 0.12 -0.50 0.00 0.00 175.29 173.95 3d3v s PHE 216 N 3.46 3.53 -0.30 1.67 5.36 0.53 -1.94 117.98 130.29 3d3v s PHE 216 Ca 0.38 0.39 0.01 0.00 -0.96 0.00 0.00 56.93 56.76 3d3v s PHE 216 Cb -0.12 -1.85 0.07 0.00 -0.34 0.00 0.00 43.02 40.78 3d3v s PHE 216 CO 0.18 0.66 -0.03 0.71 -1.46 0.00 0.00 175.22 175.28 3d3v s TYR 217 N -1.22 3.38 0.00 10.12 1.51 -0.79 -2.23 117.35 128.11 3d3v s TYR 217 Ca 0.23 -2.32 0.00 0.00 -1.01 0.00 0.00 57.07 53.97 3d3v s TYR 217 Cb -0.12 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.47 3d3v s TYR 217 CO 0.14 -0.88 0.00 0.41 -1.11 0.00 0.00 175.55 174.11 3d3v n GLY 218 N 4.47 3.46 3.83 0.71 0.00 -1.26 -4.76 105.19 111.63 3d3v n GLY 218 Ca -0.10 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3d3v n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d3v s LEU 219 N 0.00 3.55 0.63 0.99 1.02 -0.56 -4.57 118.68 119.74 3d3v s LEU 219 Ca 0.00 1.66 -0.07 0.00 0.02 0.00 0.00 54.13 55.75 3d3v s LEU 219 Cb 0.00 -4.52 0.02 0.00 0.02 0.00 0.00 46.19 41.71 3d3v s LEU 219 CO 0.00 -0.85 0.95 -0.94 0.02 0.00 0.00 176.35 175.53 3d3v s SER 220 N -3.01 5.42 0.13 2.29 1.04 -1.26 -2.57 113.70 115.73 3d3v s SER 220 Ca 0.61 0.73 0.27 0.00 0.48 0.00 0.00 55.95 58.04 3d3v s SER 220 Cb -0.13 -1.63 0.97 0.00 0.10 0.00 0.00 66.02 65.34 3d3v s SER 220 CO 0.35 -1.21 1.83 1.21 0.98 0.00 0.00 173.24 176.39 3d3v n GLU 221 N -2.72 0.16 -0.94 4.02 2.13 -1.26 -3.22 120.64 118.81 3d3v n GLU 221 Ca 0.06 0.14 -0.11 0.00 0.66 0.00 0.00 57.16 57.90 3d3v n GLU 221 Cb 0.58 -1.69 0.22 0.00 0.27 0.00 0.00 31.44 30.82 3d3v n GLU 221 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3d3v n ASN 222 N -1.96 4.10 -4.76 4.31 4.13 -1.26 -4.95 115.26 114.87 3d3v n ASN 222 Ca 0.06 -3.16 -0.34 0.00 1.68 0.00 0.00 54.58 52.81 3d3v n ASN 222 Cb 0.38 -0.74 -0.08 0.00 -1.54 0.00 0.00 39.78 37.80 3d3v n ASN 222 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3d3v s ASP 223 N -0.84 5.65 0.13 6.41 -0.00 -1.20 -5.09 116.67 121.73 3d3v s ASP 223 Ca 0.47 0.21 -0.31 0.00 -0.00 0.00 0.00 52.55 52.92 3d3v s ASP 223 Cb 0.39 -1.65 -0.08 0.00 -0.00 0.00 0.00 42.92 41.58 3d3v s ASP 223 CO 0.11 0.34 1.31 -1.61 -0.00 0.00 0.00 175.17 175.32 3d3v s GLU 224 N -1.28 4.37 -0.26 8.23 2.02 -1.26 -5.02 118.70 125.50 3d3v s GLU 224 Ca 0.18 1.99 -0.01 0.00 0.02 0.00 0.00 54.97 57.14 3d3v s GLU 224 Cb -0.12 -3.26 0.14 0.00 0.10 0.00 0.00 34.13 30.99 3d3v s GLU 224 CO 0.08 -0.33 0.36 -0.46 0.02 0.00 0.00 175.26 174.93 3d3v s TRP 225 N 0.77 -0.76 -0.16 1.61 -0.11 -1.26 -5.02 118.94 114.00 3d3v s TRP 225 Ca 0.60 0.46 0.15 0.00 1.22 0.00 0.00 56.10 58.54 3d3v s TRP 225 Cb -0.35 -0.15 -0.22 0.00 -1.50 0.00 0.00 33.47 31.25 3d3v s TRP 225 CO 0.32 -0.82 0.40 0.25 -4.62 0.00 0.00 176.95 172.48 3d3v n THR 226 N 5.35 0.00 -1.69 5.86 -2.24 -1.26 -5.02 114.28 115.28 3d3v n THR 226 Ca -0.02 -0.31 -0.32 0.00 -2.27 0.00 0.00 64.05 61.12 3d3v n THR 226 Cb 0.49 0.33 0.05 0.00 -2.10 0.00 0.00 70.33 69.10 3d3v n THR 226 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d3v s GLN 227 N -2.93 2.78 0.47 -0.78 0.00 -1.26 -4.92 119.66 113.03 3d3v s GLN 227 Ca -0.03 1.28 0.30 0.00 -0.00 0.00 0.00 55.36 56.91 3d3v s GLN 227 Cb 0.10 -1.96 1.17 0.00 0.00 0.00 0.00 33.01 32.32 3d3v s GLN 227 CO 0.63 -1.25 1.89 -0.44 0.00 0.00 0.00 175.29 176.12 3d3v h ASP 228 N -0.20 0.00 -4.12 12.60 3.45 -2.06 -3.44 116.42 122.66 3d3v h ASP 228 Ca -0.46 0.00 -0.50 0.00 0.43 0.00 0.00 57.03 56.50 3d3v h ASP 228 Cb 1.24 0.00 0.18 0.00 -0.56 0.00 0.00 39.33 40.18 3d3v h ASP 228 CO 0.54 0.00 0.22 -0.60 -1.57 0.00 0.00 179.24 177.83 3d3v s ARG 229 N -3.53 1.06 0.19 3.56 3.52 -1.26 -5.02 118.95 117.46 3d3v s ARG 229 Ca 0.03 1.28 -0.30 0.00 -0.13 0.00 0.00 55.73 56.61 3d3v s ARG 229 Cb 0.09 -1.75 -0.08 0.00 -1.56 0.00 0.00 34.95 31.65 3d3v s ARG 229 CO 0.53 -2.52 1.04 0.00 -0.81 0.00 0.00 175.30 173.54 3d3v s ALA 230 N -2.72 3.34 0.10 6.12 0.00 -1.26 -4.99 121.76 122.37 3d3v s ALA 230 Ca 0.65 0.74 -0.35 0.00 0.00 0.00 0.00 51.96 53.00 3d3v s ALA 230 Cb -0.21 -3.31 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 3d3v s ALA 230 CO 0.58 -0.08 1.48 1.17 0.00 0.00 0.00 175.76 178.91 3d3v n LYS 231 N 2.11 1.65 -2.50 0.00 4.81 -1.26 -4.90 118.16 118.08 3d3v n LYS 231 Ca 0.01 0.59 -0.43 0.00 -0.87 0.00 0.00 58.31 57.62 3d3v n LYS 231 Cb 0.47 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.22 3d3v n LYS 231 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3d3v n PRO 232 N 3.16 3.52 -1.93 1.64 -0.04 -1.26 -5.00 135.00 135.09 3d3v n PRO 232 Ca 0.18 -3.58 -0.29 0.00 -0.04 0.00 0.00 63.50 59.77 3d3v n PRO 232 Cb 0.24 -2.98 0.07 0.00 -0.04 0.00 0.00 33.50 30.79 3d3v n PRO 232 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3d3v s VAL 233 N 0.90 2.52 -0.01 0.52 -7.23 -1.26 -1.50 120.40 114.35 3d3v s VAL 233 Ca 0.41 0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 60.42 3d3v s VAL 233 Cb 0.06 -3.16 -0.08 0.00 0.56 0.00 0.00 36.38 33.76 3d3v s VAL 233 CO 0.00 -0.21 1.96 -0.89 -0.31 0.00 0.00 175.10 175.66 3d3v s THR 234 N -3.48 3.08 0.26 5.32 2.01 -1.06 -4.36 115.64 117.41 3d3v s THR 234 Ca 0.60 0.10 -0.21 0.00 0.31 0.00 0.00 61.69 62.49 3d3v s THR 234 Cb -0.11 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.36 3d3v s THR 234 CO 0.49 -0.01 0.69 0.00 -0.69 0.00 0.00 174.62 175.10 3d3v s GLN 235 N 4.64 1.70 -0.18 4.92 -2.07 -0.95 -4.93 119.66 122.79 3d3v s GLN 235 Ca 0.88 -0.91 -0.01 0.00 -1.82 0.00 0.00 55.36 53.50 3d3v s GLN 235 Cb -0.40 0.60 0.00 0.00 -1.09 0.00 0.00 33.01 32.12 3d3v s GLN 235 CO 0.40 -0.77 -0.13 0.42 -1.32 0.00 0.00 175.29 173.89 3d3v s ILE 236 N -3.90 2.78 -0.14 3.63 1.01 -1.26 -0.34 121.20 122.98 3d3v s ILE 236 Ca 0.10 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 3d3v s ILE 236 Cb -0.05 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 3d3v s ILE 236 CO 0.04 0.49 -0.06 -0.69 0.00 0.00 0.00 174.94 174.72 3d3v s VAL 237 N 1.14 3.74 0.04 2.92 1.01 -0.56 -4.95 120.40 123.73 3d3v s VAL 237 Ca 0.01 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.64 3d3v s VAL 237 Cb -0.14 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3d3v s VAL 237 CO -0.04 0.51 -0.19 -0.44 0.00 0.00 0.00 175.10 174.93 3d3v s SER 238 N 0.23 2.32 0.31 3.32 0.01 -1.26 -2.21 113.70 116.41 3d3v s SER 238 Ca -0.04 -0.49 0.10 0.00 1.31 0.00 0.00 55.95 56.83 3d3v s SER 238 Cb -0.14 -0.19 -0.06 0.00 0.21 0.00 0.00 66.02 65.84 3d3v s SER 238 CO 0.03 0.15 -0.10 0.00 0.41 0.00 0.00 173.24 173.73 3d3v s ALA 239 N -0.77 2.97 0.11 1.44 0.00 -0.86 -4.87 121.76 119.77 3d3v s ALA 239 Ca 0.07 -1.95 -0.15 0.00 0.00 0.00 0.00 51.96 49.93 3d3v s ALA 239 Cb -0.08 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.80 3d3v s ALA 239 CO 0.01 0.16 0.36 -1.83 0.00 0.00 0.00 175.76 174.47 3d3v s GLU 240 N -3.61 1.01 0.12 0.00 -1.05 -1.26 -1.56 118.70 112.35 3d3v s GLU 240 Ca 0.32 -0.74 -0.15 0.00 -0.15 0.00 0.00 54.97 54.25 3d3v s GLU 240 Cb -0.02 0.44 0.03 0.00 -0.44 0.00 0.00 34.13 34.15 3d3v s GLU 240 CO 0.17 -0.38 0.38 0.00 0.95 0.00 0.00 175.26 176.37 3d3v s ALA 241 N -3.74 -0.85 0.39 -0.84 0.00 -0.14 -4.68 121.76 111.90 3d3v s ALA 241 Ca 0.03 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 51.95 3d3v s ALA 241 Cb 0.02 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 3d3v s ALA 241 CO -0.11 -0.63 0.25 -1.58 0.00 0.00 0.00 175.76 173.69 3d3v s TRP 242 N -3.80 2.69 0.33 0.00 0.52 -1.26 -1.01 118.94 116.41 3d3v s TRP 242 Ca 0.03 -0.48 -0.28 0.00 0.02 0.00 0.00 56.10 55.39 3d3v s TRP 242 Cb 0.02 -1.94 -0.10 0.00 -1.15 0.00 0.00 33.47 30.30 3d3v s TRP 242 CO -0.12 0.12 1.20 0.20 0.02 0.00 0.00 176.95 178.37 3d3v s GLY 243 N -3.97 2.99 -0.14 0.98 0.00 -0.57 -4.92 107.32 101.69 3d3v s GLY 243 Ca 0.43 1.06 -0.01 0.00 0.00 0.00 0.00 44.72 46.19 3d3v s GLY 243 CO 0.25 1.66 -0.10 -1.60 0.00 0.00 0.00 173.10 173.31 3d3v s ARG 244 N -1.79 3.49 -1.37 2.90 3.52 -1.24 -4.40 118.95 120.06 3d3v s ARG 244 Ca 0.49 -0.63 -0.14 0.00 -0.13 0.00 0.00 55.73 55.33 3d3v s ARG 244 Cb -0.35 -2.73 0.08 0.00 -1.56 0.00 0.00 34.95 30.39 3d3v s ARG 244 CO 0.45 0.22 1.98 0.00 -0.81 0.00 0.00 175.30 177.15 3d3v n ALA 245 N 3.53 4.92 0.45 6.12 0.00 -1.26 -4.44 120.51 129.83 3d3v n ALA 245 Ca -0.18 -3.99 0.05 0.00 0.00 0.00 0.00 53.44 49.33 3d3v n ALA 245 Cb 0.53 -3.41 0.05 0.00 0.00 0.00 0.00 19.45 16.62 3d3v n ALA 245 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25