#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jws n GLU 4 N 0.00 0.00 -3.85 5.31 1.02 -1.26 -5.11 120.64 116.75 1jws n GLU 4 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1jws n GLU 4 Cb 0.00 -0.71 -0.09 0.00 -0.02 0.00 0.00 31.44 30.62 1jws n GLU 4 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1jws s HIS 5 N -1.94 0.06 -0.04 -0.32 3.76 -1.26 -5.05 115.29 110.50 1jws s HIS 5 Ca 0.00 -0.27 -0.01 0.00 -0.15 0.00 0.00 55.06 54.63 1jws s HIS 5 Cb 0.00 -0.04 0.03 0.00 1.11 0.00 0.00 32.58 33.68 1jws s HIS 5 CO 0.00 -0.41 0.03 0.08 -0.85 0.00 0.00 174.74 173.58 1jws s VAL 6 N -2.45 0.08 -0.21 -0.90 1.01 -1.26 -5.01 120.40 111.65 1jws s VAL 6 Ca -0.06 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1jws s VAL 6 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1jws s VAL 6 CO -0.03 0.18 0.00 -0.63 0.00 0.00 0.00 175.10 174.61 1jws s ILE 7 N 1.67 3.85 -0.10 2.22 1.09 -1.26 -1.22 121.20 127.45 1jws s ILE 7 Ca -0.01 -0.34 0.04 0.00 -1.10 0.00 0.00 60.65 59.24 1jws s ILE 7 Cb -0.13 -2.76 -0.00 0.00 -1.06 0.00 0.00 42.46 38.52 1jws s ILE 7 CO -0.03 0.41 -0.24 -0.63 -0.10 0.00 0.00 174.94 174.35 1jws s ILE 8 N 1.25 2.10 -0.39 2.92 1.09 0.38 -4.92 121.20 123.63 1jws s ILE 8 Ca 0.04 -1.01 -0.16 0.00 -1.10 0.00 0.00 60.65 58.42 1jws s ILE 8 Cb -0.15 -1.80 0.01 0.00 -1.06 0.00 0.00 42.46 39.46 1jws s ILE 8 CO 0.01 0.56 0.39 -1.58 -0.10 0.00 0.00 174.94 174.22 1jws s GLN 9 N 0.34 3.25 -0.10 2.79 0.74 -1.26 -0.03 119.66 125.39 1jws s GLN 9 Ca -0.19 -0.67 0.04 0.00 0.05 0.00 0.00 55.36 54.59 1jws s GLN 9 Cb -0.18 -3.91 -0.00 0.00 1.10 0.00 0.00 33.01 30.02 1jws s GLN 9 CO 0.09 -0.72 -0.23 0.00 -0.55 0.00 0.00 175.29 173.88 1jws s ALA 10 N 2.03 2.21 0.19 1.58 0.00 0.82 -4.98 121.76 123.60 1jws s ALA 10 Ca 0.11 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1jws s ALA 10 Cb -0.17 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 1jws s ALA 10 CO 0.12 0.29 0.04 -1.83 0.00 0.00 0.00 175.76 174.39 1jws s GLU 11 N 0.32 1.17 -0.04 0.00 -1.05 -1.26 -0.93 118.70 116.92 1jws s GLU 11 Ca -0.18 -1.59 -0.30 0.00 -0.15 0.00 0.00 54.97 52.75 1jws s GLU 11 Cb -0.18 -0.16 0.11 0.00 -0.44 0.00 0.00 34.13 33.47 1jws s GLU 11 CO 0.09 -0.21 0.96 -0.59 0.95 0.00 0.00 175.26 176.45 1jws s PHE 12 N -3.77 -0.29 -0.00 4.83 -0.12 -0.81 -4.96 117.98 112.85 1jws s PHE 12 Ca 0.29 0.17 0.00 0.00 -0.05 0.00 0.00 56.93 57.34 1jws s PHE 12 Cb 0.07 0.54 -0.00 0.00 -0.63 0.00 0.00 43.02 42.99 1jws s PHE 12 CO 0.07 -0.49 -0.02 -0.47 -0.05 0.00 0.00 175.22 174.27 1jws s TYR 13 N -2.98 0.15 -0.05 3.49 5.04 -1.26 -1.61 117.35 120.12 1jws s TYR 13 Ca 0.06 -0.03 0.03 0.00 -2.44 0.00 0.00 57.07 54.70 1jws s TYR 13 Cb -0.01 -0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.21 1jws s TYR 13 CO -0.08 -0.00 -0.14 -1.17 -1.34 0.00 0.00 175.55 172.81 1jws s LEU 14 N -0.02 1.80 0.02 6.97 2.96 0.29 -4.97 118.68 125.73 1jws s LEU 14 Ca 0.00 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.64 1jws s LEU 14 Cb -0.01 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 1jws s LEU 14 CO -0.00 0.09 -0.11 0.20 -1.32 0.00 0.00 176.35 175.21 1jws s ASN 15 N 0.33 4.33 0.00 3.68 0.01 -1.26 0.43 114.94 122.46 1jws s ASN 15 Ca -0.09 -0.25 0.19 0.00 -0.71 0.00 0.00 52.86 51.99 1jws s ASN 15 Cb -0.13 -0.91 0.52 0.00 0.41 0.00 0.00 41.25 41.14 1jws s ASN 15 CO 0.03 0.27 1.43 -0.81 -1.51 0.00 0.00 177.10 176.50 1jws n PRO 16 N 1.51 2.15 0.31 -0.60 -0.04 -1.26 -4.86 135.00 132.21 1jws n PRO 16 Ca -0.15 -1.76 0.21 0.00 -0.04 0.00 0.00 63.50 61.75 1jws n PRO 16 Cb 0.52 -1.42 1.08 0.00 -0.04 0.00 0.00 33.50 33.64 1jws n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jws h ASP 17 N 3.13 0.00 -6.34 3.54 5.19 -2.02 -3.45 116.42 116.46 1jws h ASP 17 Ca 0.00 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.96 1jws h ASP 17 Cb 0.70 0.00 0.06 0.00 0.18 0.00 0.00 39.33 40.27 1jws h ASP 17 CO 0.00 0.00 -0.93 0.00 -3.12 0.00 0.00 179.24 175.19 1jws n GLN 18 N -2.98 -1.06 -4.28 3.56 10.64 0.17 -5.00 117.38 118.42 1jws n GLN 18 Ca -0.02 0.45 -0.26 0.00 -1.83 0.00 0.00 57.00 55.34 1jws n GLN 18 Cb 0.10 -3.80 -0.08 0.00 -0.86 0.00 0.00 30.24 25.59 1jws n GLN 18 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1jws s SER 19 N -3.43 4.41 0.13 2.61 0.01 -1.02 -4.94 113.70 111.47 1jws s SER 19 Ca 0.44 -0.57 -0.14 0.00 1.31 0.00 0.00 55.95 56.99 1jws s SER 19 Cb -0.17 -0.80 0.02 0.00 0.21 0.00 0.00 66.02 65.28 1jws s SER 19 CO 0.88 0.07 0.35 -0.83 0.41 0.00 0.00 173.24 174.13 1jws s GLY 20 N -3.07 -0.12 0.01 3.44 0.00 -1.26 -0.55 107.32 105.78 1jws s GLY 20 Ca 0.27 -0.25 -0.17 0.00 0.00 0.00 0.00 44.72 44.56 1jws s GLY 20 CO 0.17 -0.46 0.38 1.85 0.00 0.00 0.00 173.10 175.04 1jws s GLU 21 N -3.83 0.82 -0.21 2.90 2.12 -0.63 -4.93 118.70 114.94 1jws s GLU 21 Ca 0.05 -0.27 -0.06 0.00 0.36 0.00 0.00 54.97 55.05 1jws s GLU 21 Cb 0.02 0.37 0.10 0.00 0.26 0.00 0.00 34.13 34.88 1jws s GLU 21 CO -0.10 -0.26 0.41 0.12 -0.54 0.00 0.00 175.26 174.89 1jws s PHE 22 N -1.96 -0.80 0.08 5.30 2.19 -1.26 -1.93 117.98 119.60 1jws s PHE 22 Ca -0.09 1.36 -0.17 0.00 0.33 0.00 0.00 56.93 58.36 1jws s PHE 22 Cb -0.02 0.23 0.03 0.00 -1.31 0.00 0.00 43.02 41.95 1jws s PHE 22 CO 0.01 -0.53 0.40 0.00 1.83 0.00 0.00 175.22 176.92 1jws s MET 23 N 2.60 0.97 0.17 10.12 0.23 -0.11 -1.35 119.30 131.93 1jws s MET 23 Ca 0.02 -0.53 0.07 0.00 -1.03 0.00 0.00 55.69 54.21 1jws s MET 23 Cb -0.13 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 1jws s MET 23 CO -0.13 -0.35 0.03 -0.06 -2.03 0.00 0.00 175.02 172.47 1jws s PHE 24 N -3.07 2.91 -0.04 3.16 0.40 -0.58 -0.13 117.98 120.62 1jws s PHE 24 Ca -0.02 -0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.18 1jws s PHE 24 Cb 0.00 -1.41 0.02 0.00 0.51 0.00 0.00 43.02 42.15 1jws s PHE 24 CO -0.07 0.52 0.10 0.34 0.70 0.00 0.00 175.22 176.81 1jws s ASP 25 N -2.94 -0.08 -0.24 1.36 -1.08 0.95 -1.51 116.67 113.13 1jws s ASP 25 Ca 0.28 0.21 0.01 0.00 -0.52 0.00 0.00 52.55 52.53 1jws s ASP 25 Cb -0.10 0.15 0.04 0.00 -1.46 0.00 0.00 42.92 41.55 1jws s ASP 25 CO 0.19 -0.09 -0.11 0.12 0.52 0.00 0.00 175.17 175.81 1jws s PHE 26 N 0.64 3.10 -1.59 -5.34 5.36 0.24 -0.47 117.98 119.92 1jws s PHE 26 Ca -0.05 -1.91 -0.08 0.00 -0.96 0.00 0.00 56.93 53.94 1jws s PHE 26 Cb -0.07 -1.98 0.07 0.00 -0.34 0.00 0.00 43.02 40.70 1jws s PHE 26 CO -0.03 -0.81 0.40 -0.25 -1.46 0.00 0.00 175.22 173.07 1jws n ASP 27 N 4.56 -0.84 0.00 6.13 8.00 -0.36 -0.90 116.55 133.14 1jws n ASP 27 Ca -0.16 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1jws n ASP 27 Cb 0.45 -2.32 0.00 0.00 -0.02 0.00 0.00 41.12 39.23 1jws n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jws n GLY 28 N -1.90 2.92 3.80 0.44 0.00 -1.26 -5.04 105.19 104.15 1jws n GLY 28 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1jws n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jws s ASP 29 N 0.79 6.76 0.20 1.61 1.01 -0.08 -5.02 116.67 121.94 1jws s ASP 29 Ca 0.00 0.91 -0.30 0.00 0.71 0.00 0.00 52.55 53.86 1jws s ASP 29 Cb 0.00 -2.26 -0.09 0.00 1.01 0.00 0.00 42.92 41.58 1jws s ASP 29 CO 0.00 0.22 1.39 -0.70 0.21 0.00 0.00 175.17 176.29 1jws s GLU 30 N -0.52 4.32 -0.15 8.23 2.12 -1.26 0.80 118.70 132.23 1jws s GLU 30 Ca 0.24 2.17 -0.05 0.00 0.36 0.00 0.00 54.97 57.69 1jws s GLU 30 Cb -0.16 -3.17 -0.24 0.00 0.26 0.00 0.00 34.13 30.81 1jws s GLU 30 CO 0.12 -0.37 0.25 -0.89 -0.54 0.00 0.00 175.26 173.82 1jws n ILE 31 N 2.89 1.72 -3.67 -3.70 5.41 -0.57 -4.57 119.36 116.88 1jws n ILE 31 Ca 0.08 -0.63 0.02 0.00 1.00 0.00 0.00 62.75 63.22 1jws n ILE 31 Cb 0.41 -1.68 -0.00 0.00 -0.71 0.00 0.00 39.64 37.66 1jws n ILE 31 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1jws s PHE 32 N -2.55 -0.02 0.06 1.39 -0.12 -1.24 -1.98 117.98 113.53 1jws s PHE 32 Ca -0.25 -0.06 -0.15 0.00 -0.05 0.00 0.00 56.93 56.42 1jws s PHE 32 Cb 0.07 0.54 0.03 0.00 -0.63 0.00 0.00 43.02 43.03 1jws s PHE 32 CO 0.73 -0.21 0.35 -3.38 -0.05 0.00 0.00 175.22 172.66 1jws s HIS 33 N -2.26 -0.15 -0.01 3.49 -3.43 -0.82 -1.53 115.29 110.57 1jws s HIS 33 Ca 0.17 -0.01 -0.09 0.00 -0.80 0.00 0.00 55.06 54.33 1jws s HIS 33 Cb 0.05 0.15 -0.05 0.00 -1.43 0.00 0.00 32.58 31.30 1jws s HIS 33 CO -0.04 -0.57 0.29 0.08 -2.00 0.00 0.00 174.74 172.50 1jws s VAL 34 N -2.88 5.26 -0.39 -5.38 1.01 -0.46 -1.18 120.40 116.39 1jws s VAL 34 Ca -0.03 0.37 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 1jws s VAL 34 Cb 0.00 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1jws s VAL 34 CO -0.05 0.46 0.90 -0.62 0.00 0.00 0.00 175.10 175.79 1jws s ASP 35 N -1.41 6.61 0.49 3.32 -1.08 -0.66 -4.67 116.67 119.28 1jws s ASP 35 Ca 0.24 0.42 0.24 0.00 -0.52 0.00 0.00 52.55 52.93 1jws s ASP 35 Cb -0.14 -2.45 1.29 0.00 -1.46 0.00 0.00 42.92 40.17 1jws s ASP 35 CO 0.13 -0.88 2.02 0.24 0.52 0.00 0.00 175.17 177.20 1jws h MET 36 N 8.63 0.00 0.00 4.34 2.86 -1.91 0.36 114.93 129.21 1jws h MET 36 Ca -0.24 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1jws h MET 36 Cb 1.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1jws h MET 36 CO 0.98 0.16 -0.35 0.00 1.06 0.00 0.00 176.91 178.76 1jws h ALA 37 N 1.84 0.05 0.00 6.32 0.00 -1.98 -3.36 119.26 122.14 1jws h ALA 37 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1jws h ALA 37 Cb 0.39 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1jws h ALA 37 CO 0.02 0.24 -0.04 1.63 0.00 0.00 0.00 179.25 181.09 1jws n LYS 38 N -4.63 0.19 -3.40 0.00 5.02 -1.23 -4.95 118.16 109.17 1jws n LYS 38 Ca -0.11 0.15 -0.17 0.00 -2.02 0.00 0.00 58.31 56.15 1jws n LYS 38 Cb 0.34 -1.71 0.07 0.00 -0.02 0.00 0.00 35.03 33.71 1jws n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jws n LYS 39 N -2.04 -4.33 -3.73 1.97 5.02 0.13 -5.01 118.16 110.16 1jws n LYS 39 Ca 0.06 0.81 -0.14 0.00 -2.02 0.00 0.00 58.31 57.02 1jws n LYS 39 Cb 0.41 -5.69 -0.09 0.00 -0.02 0.00 0.00 35.03 29.64 1jws n LYS 39 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1jws s GLU 40 N -5.06 0.62 0.12 1.97 -1.05 -1.18 -4.37 118.70 109.76 1jws s GLU 40 Ca 0.22 0.16 -0.31 0.00 -0.15 0.00 0.00 54.97 54.89 1jws s GLU 40 Cb -0.03 0.29 -0.09 0.00 -0.44 0.00 0.00 34.13 33.86 1jws s GLU 40 CO 0.75 -0.14 1.51 0.99 0.95 0.00 0.00 175.26 179.31 1jws s THR 41 N -0.68 3.00 -0.17 1.83 2.01 -1.26 -1.65 115.64 118.71 1jws s THR 41 Ca -0.08 0.67 0.01 0.00 0.31 0.00 0.00 61.69 62.60 1jws s THR 41 Cb -0.04 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 69.07 1jws s THR 41 CO 0.03 0.04 -0.17 0.68 -0.69 0.00 0.00 174.62 174.51 1jws s VAL 42 N 1.45 1.88 0.24 3.82 -7.23 -0.32 -4.95 120.40 115.29 1jws s VAL 42 Ca 0.68 -0.87 -0.25 0.00 -1.81 0.00 0.00 61.98 59.73 1jws s VAL 42 Cb -0.40 -1.74 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 1jws s VAL 42 CO 0.31 0.47 0.85 0.26 -0.31 0.00 0.00 175.10 176.68 1jws s TRP 43 N 1.35 3.81 0.35 2.82 0.52 -1.26 -1.94 118.94 124.59 1jws s TRP 43 Ca 0.04 1.69 0.03 0.00 0.02 0.00 0.00 56.10 57.88 1jws s TRP 43 Cb -0.13 -2.83 0.65 0.00 -1.15 0.00 0.00 33.47 30.01 1jws s TRP 43 CO -0.12 0.38 1.99 -0.09 0.02 0.00 0.00 176.95 179.13 1jws h ARG 44 N 3.75 0.83 -4.48 4.98 9.65 -1.64 -3.38 114.38 124.08 1jws h ARG 44 Ca -0.47 -0.05 -0.56 0.00 -1.10 0.00 0.00 59.98 57.81 1jws h ARG 44 Cb 1.20 -0.19 -0.36 0.00 -1.39 0.00 0.00 29.97 29.23 1jws h ARG 44 CO 0.66 0.55 -0.82 -0.51 2.80 0.00 0.00 179.97 182.65 1jws s LEU 45 N -9.75 1.48 0.25 3.80 1.43 -1.26 -5.03 118.68 109.61 1jws s LEU 45 Ca -0.10 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1jws s LEU 45 Cb 0.18 -0.98 0.65 0.00 0.03 0.00 0.00 46.19 46.07 1jws s LEU 45 CO 0.77 -0.06 1.25 1.21 0.23 0.00 0.00 176.35 179.75 1jws n GLU 46 N 4.61 -0.06 -0.23 1.70 0.00 -1.26 -0.95 120.64 124.45 1jws n GLU 46 Ca -0.16 1.18 0.03 0.00 0.00 0.00 0.00 57.16 58.21 1jws n GLU 46 Cb 0.50 -1.90 0.14 0.00 0.00 0.00 0.00 31.44 30.19 1jws n GLU 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1jws h GLU 47 N 0.00 0.40 -0.96 5.31 4.11 -1.95 -2.75 114.58 118.74 1jws h GLU 47 Ca 0.50 -0.02 0.20 0.00 0.07 0.00 0.00 59.36 60.10 1jws h GLU 47 Cb 1.07 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.12 1jws h GLU 47 CO -0.74 0.26 0.54 0.74 0.07 0.00 0.00 179.01 179.89 1jws h PHE 48 N 0.41 0.94 0.00 2.06 0.04 -1.45 0.91 116.94 119.85 1jws h PHE 48 Ca 0.36 0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.16 1jws h PHE 48 Cb 0.50 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1jws h PHE 48 CO -0.18 0.15 0.10 0.78 -0.60 0.00 0.00 178.31 178.57 1jws h GLY 49 N 0.65 0.00 0.80 -1.45 0.00 -1.62 0.17 103.07 101.61 1jws h GLY 49 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1jws h GLY 49 CO -0.42 0.00 -0.83 0.54 0.00 0.00 0.00 176.54 175.84 1jws n ARG 50 N -2.31 0.23 -0.00 4.80 1.74 0.31 -4.25 116.66 117.18 1jws n ARG 50 Ca -0.01 0.02 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 1jws n ARG 50 Cb 0.14 -1.60 -0.10 0.00 -1.02 0.00 0.00 32.46 29.88 1jws n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1jws n PHE 51 N -1.91 0.00 -4.01 -1.55 3.72 0.52 -5.05 117.46 109.18 1jws n PHE 51 Ca 0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.33 1jws n PHE 51 Cb 0.42 -0.23 -0.05 0.00 -0.94 0.00 0.00 39.48 38.68 1jws n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jws s ALA 52 N -2.76 -0.11 0.21 4.37 0.00 -0.81 -5.13 121.76 117.54 1jws s ALA 52 Ca -0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.94 1jws s ALA 52 Cb 0.09 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.26 1jws s ALA 52 CO 0.56 -0.84 0.20 -1.54 0.00 0.00 0.00 175.76 174.13 1jws s SER 53 N -3.05 0.16 -0.17 0.00 1.04 -1.26 -4.57 113.70 105.85 1jws s SER 53 Ca 0.24 -1.32 -0.12 0.00 0.48 0.00 0.00 55.95 55.23 1jws s SER 53 Cb -0.00 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1jws s SER 53 CO 0.10 -0.90 0.43 0.12 0.98 0.00 0.00 173.24 173.97 1jws s PHE 54 N -4.10 -0.58 -1.05 5.02 5.36 -1.26 -5.07 117.98 116.30 1jws s PHE 54 Ca 0.36 1.29 -0.23 0.00 -0.96 0.00 0.00 56.93 57.40 1jws s PHE 54 Cb 0.05 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 43.01 1jws s PHE 54 CO 0.12 -0.31 1.63 -2.00 -1.46 0.00 0.00 175.22 173.19 1jws s GLU 55 N 1.00 3.37 0.20 10.12 2.12 -1.26 -4.72 118.70 129.54 1jws s GLU 55 Ca -0.06 -1.09 -0.12 0.00 0.36 0.00 0.00 54.97 54.06 1jws s GLU 55 Cb -0.06 -5.32 0.25 0.00 0.26 0.00 0.00 34.13 29.26 1jws s GLU 55 CO -0.08 -2.57 1.66 0.00 -0.54 0.00 0.00 175.26 173.73 1jws h ALA 56 N 9.76 0.53 -1.14 6.30 0.00 -1.94 -1.81 119.26 130.96 1jws h ALA 56 Ca 0.22 0.19 0.33 0.00 0.00 0.00 0.00 54.91 55.65 1jws h ALA 56 Cb 0.98 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1jws h ALA 56 CO 1.38 -0.40 1.01 0.37 0.00 0.00 0.00 179.25 181.60 1jws h GLN 57 N 0.09 0.00 -0.01 0.00 5.75 -1.87 0.63 115.11 119.70 1jws h GLN 57 Ca 0.30 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.63 1jws h GLN 57 Cb 0.47 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 1jws h GLN 57 CO -0.52 0.00 -0.76 0.78 -2.65 0.00 0.00 178.83 175.69 1jws h GLY 58 N 0.00 0.10 1.49 2.39 0.00 -1.73 -3.24 103.07 102.09 1jws h GLY 58 Ca 0.54 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.72 1jws h GLY 58 CO -0.01 0.14 0.33 0.00 0.00 0.00 0.00 176.54 177.01 1jws h ALA 59 N 1.17 1.66 -0.60 3.60 0.00 -1.01 -1.59 119.26 122.48 1jws h ALA 59 Ca -0.02 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.97 1jws h ALA 59 Cb 1.33 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1jws h ALA 59 CO 0.11 0.31 0.41 -0.07 0.00 0.00 0.00 179.25 180.00 1jws h LEU 60 N 0.66 0.30 -0.28 0.00 -0.00 -1.68 -1.53 115.31 112.79 1jws h LEU 60 Ca 0.19 0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 58.02 1jws h LEU 60 Cb -0.05 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.55 1jws h LEU 60 CO -0.04 0.17 -0.03 0.00 -0.00 0.00 0.00 178.44 178.54 1jws h ALA 61 N 1.70 0.38 -0.75 1.53 0.00 -1.46 -1.74 119.26 118.92 1jws h ALA 61 Ca 0.28 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jws h ALA 61 Cb 0.67 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1jws h ALA 61 CO -0.07 0.15 0.49 -0.91 0.00 0.00 0.00 179.25 178.91 1jws h ASN 62 N 0.29 0.82 0.02 0.00 4.21 -1.34 -1.59 115.58 117.98 1jws h ASN 62 Ca 0.08 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.54 1jws h ASN 62 Cb 0.48 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1jws h ASN 62 CO 0.02 0.58 -0.07 0.40 -1.29 0.00 0.00 177.43 177.07 1jws h ILE 63 N 0.97 1.12 0.10 2.81 1.08 -1.11 0.44 117.51 122.92 1jws h ILE 63 Ca 0.29 -0.50 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1jws h ILE 63 Cb -0.05 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1jws h ILE 63 CO -0.09 0.16 -0.05 0.00 -0.69 0.00 0.00 178.15 177.48 1jws h ALA 64 N 1.79 -0.14 -0.82 1.87 0.00 -0.39 -1.23 119.26 120.34 1jws h ALA 64 Ca 0.03 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1jws h ALA 64 Cb 0.23 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1jws h ALA 64 CO 0.01 -0.40 0.49 0.28 0.00 0.00 0.00 179.25 179.63 1jws h VAL 65 N -0.49 1.00 -0.57 0.00 2.07 -0.85 -1.70 116.25 115.71 1jws h VAL 65 Ca -0.01 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.29 1jws h VAL 65 Cb 0.40 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 1jws h VAL 65 CO 0.02 0.16 0.21 0.44 0.02 0.00 0.00 177.57 178.43 1jws h ASP 66 N 0.88 0.22 0.59 0.57 3.32 0.21 0.11 116.42 122.32 1jws h ASP 66 Ca 0.37 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 1jws h ASP 66 Cb 0.21 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1jws h ASP 66 CO -0.19 0.14 -0.35 0.50 -1.72 0.00 0.00 179.24 177.63 1jws h LYS 67 N 0.40 -0.85 -0.68 3.56 3.64 -0.36 -0.12 116.57 122.16 1jws h LYS 67 Ca 0.28 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.87 1jws h LYS 67 Cb 0.32 0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.22 1jws h LYS 67 CO -0.28 -0.57 0.02 0.00 -2.27 0.00 0.00 179.45 176.36 1jws h ALA 68 N -0.52 0.71 -0.50 5.00 0.00 -0.93 0.58 119.26 123.60 1jws h ALA 68 Ca -0.07 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1jws h ALA 68 Cb 0.71 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1jws h ALA 68 CO 0.09 -0.40 0.30 -0.91 0.00 0.00 0.00 179.25 178.33 1jws h ASN 69 N 0.13 0.50 -0.96 0.00 4.21 -0.32 -2.09 115.58 117.04 1jws h ASN 69 Ca 0.37 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.94 1jws h ASN 69 Cb 0.62 -0.11 -0.07 0.00 -1.12 0.00 0.00 38.32 37.65 1jws h ASN 69 CO -0.58 0.35 0.62 0.25 -1.29 0.00 0.00 177.43 176.78 1jws h LEU 70 N 0.61 0.98 0.24 1.61 5.85 0.96 -1.11 115.31 124.46 1jws h LEU 70 Ca 0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1jws h LEU 70 Cb 0.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1jws h LEU 70 CO -0.08 0.63 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.06 1jws h GLU 71 N 1.12 -0.52 -0.24 1.25 4.39 -0.59 0.21 114.58 120.20 1jws h GLU 71 Ca 0.41 0.04 0.06 0.00 0.34 0.00 0.00 59.36 60.21 1jws h GLU 71 Cb 0.16 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.86 1jws h GLU 71 CO -0.17 -0.35 -0.31 0.82 -1.16 0.00 0.00 179.01 177.84 1jws h ILE 72 N -0.54 0.28 -0.40 3.13 2.04 -0.90 -0.48 117.51 120.64 1jws h ILE 72 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1jws h ILE 72 Cb 0.51 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1jws h ILE 72 CO -0.07 0.00 0.23 0.24 0.00 0.00 0.00 178.15 178.55 1jws h MET 73 N -0.33 0.56 -0.55 2.37 2.86 -1.03 -0.38 114.93 118.43 1jws h MET 73 Ca 0.13 -0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.81 1jws h MET 73 Cb 0.53 -0.11 -0.09 0.00 0.06 0.00 0.00 31.60 31.99 1jws h MET 73 CO -0.42 0.45 0.03 1.15 1.06 0.00 0.00 176.91 179.17 1jws h THR 74 N 0.52 0.58 -0.07 2.22 2.02 0.02 -1.18 112.91 117.03 1jws h THR 74 Ca 0.14 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1jws h THR 74 Cb 0.04 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1jws h THR 74 CO -0.02 0.03 0.01 0.50 0.37 0.00 0.00 175.52 176.40 1jws h LYS 75 N 0.15 0.11 0.00 6.66 3.64 -0.66 0.24 116.57 126.70 1jws h LYS 75 Ca 0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1jws h LYS 75 Cb 0.44 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1jws h LYS 75 CO -0.44 0.36 0.00 2.89 -2.27 0.00 0.00 179.45 179.98 1jws n ARG 76 N -4.88 0.42 -0.28 1.90 1.85 -0.19 -1.31 116.66 114.17 1jws n ARG 76 Ca -0.07 0.06 0.11 0.00 -1.00 0.00 0.00 57.85 56.96 1jws n ARG 76 Cb 0.17 -1.50 0.28 0.00 -1.05 0.00 0.00 32.46 30.36 1jws n ARG 76 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1jws n SER 77 N -1.19 3.56 -3.24 2.89 3.41 -0.50 -4.90 113.62 113.64 1jws n SER 77 Ca 0.12 -1.99 -0.20 0.00 -0.26 0.00 0.00 58.87 56.55 1jws n SER 77 Cb 0.14 -0.37 0.07 0.00 -0.26 0.00 0.00 64.21 63.79 1jws n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jws n ASN 78 N 1.48 -4.75 -3.88 4.04 3.02 -0.43 -2.94 115.26 111.80 1jws n ASN 78 Ca 0.22 -0.50 -0.26 0.00 -0.03 0.00 0.00 54.58 54.00 1jws n ASN 78 Cb 0.59 -4.58 -0.00 0.00 -0.61 0.00 0.00 39.78 35.17 1jws n ASN 78 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1jws n TYR 79 N -4.46 -1.71 -2.47 3.10 4.02 0.82 -4.89 117.16 111.57 1jws n TYR 79 Ca -0.07 0.70 -0.43 0.00 -0.01 0.00 0.00 57.90 58.09 1jws n TYR 79 Cb 0.58 -3.76 -0.02 0.00 -0.02 0.00 0.00 39.34 36.13 1jws n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1jws s THR 80 N -3.85 4.13 0.92 -0.72 2.01 -1.15 -5.00 115.64 111.98 1jws s THR 80 Ca 0.08 1.22 -0.11 0.00 0.31 0.00 0.00 61.69 63.19 1jws s THR 80 Cb -0.03 -4.30 0.14 0.00 0.01 0.00 0.00 72.50 68.32 1jws s THR 80 CO 0.88 -0.68 1.09 -2.16 -0.69 0.00 0.00 174.62 173.06 1jws s PRO 81 N 4.39 1.07 0.20 4.92 0.04 -1.26 -5.00 135.00 139.35 1jws s PRO 81 Ca 0.54 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 1jws s PRO 81 Cb -0.13 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 1jws s PRO 81 CO 0.27 -2.39 0.91 -1.50 0.04 0.00 0.00 177.00 174.33 1jws s ILE 82 N -2.87 4.20 -0.34 0.56 1.10 -1.26 -5.02 121.20 117.57 1jws s ILE 82 Ca 0.64 2.02 -0.24 0.00 -0.51 0.00 0.00 60.65 62.56 1jws s ILE 82 Cb -0.19 -4.30 0.01 0.00 0.15 0.00 0.00 42.46 38.13 1jws s ILE 82 CO 0.58 0.47 0.84 -0.89 -2.11 0.00 0.00 174.94 173.82 1jws s THR 83 N -0.95 4.71 0.37 4.00 2.01 -1.26 -5.00 115.64 119.52 1jws s THR 83 Ca 0.41 1.12 -0.28 0.00 0.31 0.00 0.00 61.69 63.25 1jws s THR 83 Cb -0.25 -4.23 -0.11 0.00 0.01 0.00 0.00 72.50 67.92 1jws s THR 83 CO 0.31 -0.39 1.46 0.20 -0.69 0.00 0.00 174.62 175.50 1jws s ASN 84 N 1.75 6.42 -0.15 3.53 0.01 -1.26 -4.77 114.94 120.48 1jws s ASN 84 Ca 0.34 2.98 -0.00 0.00 -0.71 0.00 0.00 52.86 55.47 1jws s ASN 84 Cb -0.13 -2.66 0.03 0.00 0.41 0.00 0.00 41.25 38.90 1jws s ASN 84 CO 0.15 -0.81 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.15 1jws s VAL 85 N -1.09 1.30 0.45 1.60 1.01 0.17 -4.82 120.40 119.03 1jws s VAL 85 Ca 0.52 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 1jws s VAL 85 Cb -0.45 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1jws s VAL 85 CO 0.61 0.31 1.29 -2.16 0.00 0.00 0.00 175.10 175.14 1jws s PRO 86 N 1.58 3.72 0.40 2.72 0.04 -1.26 -2.28 135.00 139.92 1jws s PRO 86 Ca 0.03 2.10 -0.20 0.00 0.04 0.00 0.00 61.00 62.97 1jws s PRO 86 Cb -0.14 -2.56 -0.11 0.00 0.04 0.00 0.00 34.50 31.74 1jws s PRO 86 CO -0.09 -0.68 0.90 -1.25 0.04 0.00 0.00 177.00 175.93 1jws s PRO 87 N -2.51 4.19 -0.14 0.56 0.04 -1.26 -4.55 135.00 131.33 1jws s PRO 87 Ca 0.62 1.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 1jws s PRO 87 Cb -0.37 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1jws s PRO 87 CO 0.46 0.02 0.54 -1.21 0.04 0.00 0.00 177.00 176.85 1jws s GLU 88 N -3.10 4.30 -0.07 4.56 2.02 -0.43 -4.88 118.70 121.10 1jws s GLU 88 Ca 0.60 0.52 0.05 0.00 0.02 0.00 0.00 54.97 56.16 1jws s GLU 88 Cb -0.10 -3.49 -0.01 0.00 0.10 0.00 0.00 34.13 30.63 1jws s GLU 88 CO 0.14 0.01 -0.22 0.08 0.02 0.00 0.00 175.26 175.30 1jws s VAL 89 N 1.08 2.34 0.01 2.63 1.01 -1.26 -0.89 120.40 125.32 1jws s VAL 89 Ca 0.27 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1jws s VAL 89 Cb -0.16 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1jws s VAL 89 CO 0.11 0.57 -0.03 -0.89 0.00 0.00 0.00 175.10 174.86 1jws s THR 90 N -0.19 0.24 -0.18 3.92 2.01 -0.40 -4.98 115.64 116.06 1jws s THR 90 Ca -0.02 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1jws s THR 90 Cb -0.13 -0.25 0.02 0.00 0.01 0.00 0.00 72.50 72.14 1jws s THR 90 CO 0.03 -0.10 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.99 1jws s VAL 91 N -0.49 1.94 0.27 3.82 1.01 -1.26 0.45 120.40 126.15 1jws s VAL 91 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1jws s VAL 91 Cb -0.04 -1.78 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 1jws s VAL 91 CO -0.00 0.50 0.06 -0.76 0.00 0.00 0.00 175.10 174.90 1jws s LEU 92 N 1.33 1.93 0.11 3.92 1.43 -0.50 -4.98 118.68 121.93 1jws s LEU 92 Ca 0.04 -1.35 0.01 0.00 -1.03 0.00 0.00 54.13 51.80 1jws s LEU 92 Cb -0.13 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 1jws s LEU 92 CO -0.12 -0.65 0.27 0.42 0.23 0.00 0.00 176.35 176.50 1jws s THR 93 N -3.54 5.33 0.27 5.49 -4.23 -1.26 -0.16 115.64 117.55 1jws s THR 93 Ca 0.35 -0.48 -0.04 0.00 -1.18 0.00 0.00 61.69 60.35 1jws s THR 93 Cb 0.08 -3.68 0.25 0.00 1.34 0.00 0.00 72.50 70.48 1jws s THR 93 CO 0.13 0.01 1.93 -1.13 -0.54 0.00 0.00 174.62 175.02 1jws h ASN 94 N 2.58 1.02 -5.28 3.99 -1.24 -0.27 -3.46 115.58 112.93 1jws h ASN 94 Ca -0.47 -0.05 -0.11 0.00 0.71 0.00 0.00 56.30 56.39 1jws h ASN 94 Cb 1.18 -0.26 -0.12 0.00 0.73 0.00 0.00 38.32 39.85 1jws h ASN 94 CO 0.72 0.77 -0.31 -0.94 -1.29 0.00 0.00 177.43 176.38 1jws s SER 95 N -6.26 0.03 0.12 1.15 1.04 -1.26 -5.02 113.70 103.50 1jws s SER 95 Ca -0.12 -0.90 -0.35 0.00 0.48 0.00 0.00 55.95 55.06 1jws s SER 95 Cb 0.18 0.45 -0.16 0.00 0.10 0.00 0.00 66.02 66.59 1jws s SER 95 CO 0.81 -0.92 1.38 -0.81 0.98 0.00 0.00 173.24 174.68 1jws n PRO 96 N -0.24 1.46 -2.81 4.02 -0.04 -1.26 -4.91 135.00 131.21 1jws n PRO 96 Ca -0.06 0.52 -0.38 0.00 -0.04 0.00 0.00 63.50 63.54 1jws n PRO 96 Cb 0.63 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.84 1jws n PRO 96 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jws s VAL 97 N 0.49 4.22 -0.19 0.52 0.11 -1.26 -5.06 120.40 119.22 1jws s VAL 97 Ca 0.81 1.83 -0.07 0.00 -2.93 0.00 0.00 61.98 61.62 1jws s VAL 97 Cb -0.85 -4.08 0.08 0.00 -1.53 0.00 0.00 36.38 29.99 1jws s VAL 97 CO 0.45 0.26 0.40 -1.61 -3.33 0.00 0.00 175.10 171.27 1jws s GLU 98 N -1.78 0.32 0.08 1.54 2.02 -1.26 -5.00 118.70 114.62 1jws s GLU 98 Ca 0.46 0.95 -0.19 0.00 0.02 0.00 0.00 54.97 56.22 1jws s GLU 98 Cb -0.20 0.22 -0.11 0.00 0.10 0.00 0.00 34.13 34.14 1jws s GLU 98 CO 0.26 -0.23 0.42 1.28 0.02 0.00 0.00 175.26 177.00 1jws n LEU 99 N 5.13 -0.50 0.00 1.80 4.77 -1.26 -0.83 117.00 126.10 1jws n LEU 99 Ca -0.12 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1jws n LEU 99 Cb 0.51 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1jws n LEU 99 CO 0.02 -1.57 0.00 0.54 -1.33 0.00 0.00 177.39 175.05 1jws n ARG 100 N 0.69 0.00 -3.01 3.23 1.74 -0.65 -4.90 116.66 113.78 1jws n ARG 100 Ca 0.11 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.76 1jws n ARG 100 Cb 0.12 -3.78 -0.05 0.00 -1.02 0.00 0.00 32.46 27.72 1jws n ARG 100 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1jws s GLU 101 N -0.71 3.27 0.05 5.56 0.41 -0.01 -4.81 118.70 122.47 1jws s GLU 101 Ca 0.00 -0.44 -0.37 0.00 -0.41 0.00 0.00 54.97 53.74 1jws s GLU 101 Cb 0.00 -4.03 -0.19 0.00 -1.78 0.00 0.00 34.13 28.14 1jws s GLU 101 CO 0.00 -1.25 1.08 -2.30 -0.49 0.00 0.00 175.26 172.30 1jws n PRO 102 N 6.72 0.35 -4.08 0.39 -0.02 -1.26 -4.38 135.00 132.72 1jws n PRO 102 Ca -0.01 0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.49 1jws n PRO 102 Cb 0.47 -1.61 -0.07 0.00 -0.02 0.00 0.00 33.50 32.27 1jws n PRO 102 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1jws s ASN 103 N 0.01 0.01 -0.07 2.55 3.84 -0.93 -5.01 114.94 115.34 1jws s ASN 103 Ca 0.85 -1.11 0.05 0.00 0.21 0.00 0.00 52.86 52.86 1jws s ASN 103 Cb -1.13 0.50 -0.01 0.00 -0.55 0.00 0.00 41.25 40.06 1jws s ASN 103 CO 0.54 -1.01 -0.23 -0.69 -2.79 0.00 0.00 177.10 172.93 1jws s VAL 104 N -4.07 1.92 -0.10 -5.21 1.01 -1.26 -0.47 120.40 112.22 1jws s VAL 104 Ca 0.29 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 1jws s VAL 104 Cb 0.03 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1jws s VAL 104 CO 0.10 0.53 0.47 -0.76 0.00 0.00 0.00 175.10 175.44 1jws s LEU 105 N 0.04 4.31 -0.15 3.92 1.43 0.65 0.54 118.68 129.42 1jws s LEU 105 Ca -0.08 0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 53.86 1jws s LEU 105 Cb -0.15 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 1jws s LEU 105 CO 0.05 0.05 -0.14 -0.63 0.23 0.00 0.00 176.35 175.91 1jws s ILE 106 N 0.36 2.88 -0.38 -0.59 1.01 0.78 -1.06 121.20 124.19 1jws s ILE 106 Ca 0.26 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 1jws s ILE 106 Cb -0.15 -2.22 0.04 0.00 0.01 0.00 0.00 42.46 40.14 1jws s ILE 106 CO 0.11 0.51 0.20 0.00 0.00 0.00 0.00 174.94 175.76 1jws s PHE 108 N 1.49 2.94 -0.37 0.00 0.08 0.17 -2.35 117.98 119.95 1jws s PHE 108 Ca 0.01 0.37 -0.12 0.00 0.12 0.00 0.00 56.93 57.32 1jws s PHE 108 Cb -0.20 -3.90 0.01 0.00 -0.57 0.00 0.00 43.02 38.37 1jws s PHE 108 CO 0.05 -1.06 0.22 0.42 -0.10 0.00 0.00 175.22 174.75 1jws s ILE 109 N 3.66 4.83 0.38 0.64 -1.09 -0.15 -1.28 121.20 128.19 1jws s ILE 109 Ca 0.36 -0.67 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 1jws s ILE 109 Cb -0.11 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 1jws s ILE 109 CO 0.25 -0.18 0.05 -0.62 -1.23 0.00 0.00 174.94 173.21 1jws s ASP 110 N 1.61 3.05 -0.84 3.58 2.15 -0.07 -0.79 116.67 125.38 1jws s ASP 110 Ca 0.04 -1.46 -0.16 0.00 0.43 0.00 0.00 52.55 51.40 1jws s ASP 110 Cb -0.19 0.01 0.02 0.00 -0.30 0.00 0.00 42.92 42.47 1jws s ASP 110 CO 0.08 -0.65 0.51 0.29 -0.17 0.00 0.00 175.17 175.23 1jws n LYS 111 N -0.87 -0.75 -4.21 4.34 5.02 -0.53 -1.31 118.16 119.84 1jws n LYS 111 Ca -0.06 0.23 -0.13 0.00 -2.02 0.00 0.00 58.31 56.33 1jws n LYS 111 Cb 0.66 -1.76 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 1jws n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1jws s PHE 112 N -3.36 1.25 -0.29 2.13 -0.12 -1.15 -4.27 117.98 112.17 1jws s PHE 112 Ca 0.22 -1.42 -0.28 0.00 -0.05 0.00 0.00 56.93 55.40 1jws s PHE 112 Cb -0.12 -0.57 0.19 0.00 -0.63 0.00 0.00 43.02 41.89 1jws s PHE 112 CO 0.75 -0.69 1.39 -0.08 -0.05 0.00 0.00 175.22 176.54 1jws s THR 113 N -4.03 0.00 1.08 -4.49 -1.32 -0.97 -0.55 115.64 105.37 1jws s THR 113 Ca 0.39 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.73 1jws s THR 113 Cb 0.06 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.28 1jws s THR 113 CO 0.15 0.00 1.07 -2.16 -2.21 0.00 0.00 174.62 171.47 1jws s PRO 114 N -0.66 -0.27 -1.40 7.08 0.04 -1.26 -0.65 135.00 137.88 1jws s PRO 114 Ca 0.08 0.48 -0.12 0.00 0.04 0.00 0.00 61.00 61.48 1jws s PRO 114 Cb -0.02 -1.66 0.08 0.00 0.04 0.00 0.00 34.50 32.94 1jws s PRO 114 CO -0.11 -3.19 2.14 -0.35 0.04 0.00 0.00 177.00 175.53 1jws n PRO 115 N -4.49 3.19 -3.68 0.56 -0.04 -1.26 -4.79 135.00 124.49 1jws n PRO 115 Ca 0.05 -2.93 -0.15 0.00 -0.04 0.00 0.00 63.50 60.43 1jws n PRO 115 Cb 0.57 -3.13 -0.15 0.00 -0.04 0.00 0.00 33.50 30.75 1jws n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jws s VAL 116 N 2.07 -0.24 0.05 0.52 1.01 -1.26 -5.05 120.40 117.50 1jws s VAL 116 Ca 0.45 0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 1jws s VAL 116 Cb 0.13 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 36.23 1jws s VAL 116 CO -0.06 0.13 0.40 0.54 0.00 0.00 0.00 175.10 176.11 1jws s VAL 117 N 2.06 0.06 -0.18 2.92 0.11 -1.26 -4.75 120.40 119.35 1jws s VAL 117 Ca -0.00 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 1jws s VAL 117 Cb -0.12 -0.97 0.02 0.00 -1.53 0.00 0.00 36.38 33.78 1jws s VAL 117 CO -0.06 -0.27 -0.18 0.21 -3.33 0.00 0.00 175.10 171.46 1jws s ASN 118 N -2.08 3.16 -0.07 3.54 2.47 -0.76 -4.98 114.94 116.21 1jws s ASN 118 Ca -0.04 -0.68 0.05 0.00 0.42 0.00 0.00 52.86 52.61 1jws s ASN 118 Cb -0.01 -1.44 -0.01 0.00 -1.45 0.00 0.00 41.25 38.35 1jws s ASN 118 CO -0.03 -0.02 -0.25 -0.69 -3.72 0.00 0.00 177.10 172.39 1jws s VAL 119 N 1.31 2.04 -0.01 -5.21 1.01 -1.26 -0.83 120.40 117.45 1jws s VAL 119 Ca 0.04 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1jws s VAL 119 Cb -0.13 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1jws s VAL 119 CO -0.12 0.56 -0.03 -0.89 0.00 0.00 0.00 175.10 174.62 1jws s THR 120 N 0.00 0.32 -0.13 3.92 2.01 0.34 -4.98 115.64 117.11 1jws s THR 120 Ca -0.09 -0.12 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 1jws s THR 120 Cb -0.15 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1jws s THR 120 CO 0.05 0.12 0.25 0.26 -0.69 0.00 0.00 174.62 174.61 1jws s TRP 121 N 0.20 3.52 -0.12 4.92 0.52 -1.26 0.86 118.94 127.58 1jws s TRP 121 Ca -0.02 0.60 0.02 0.00 0.02 0.00 0.00 56.10 56.72 1jws s TRP 121 Cb -0.05 -2.22 0.01 0.00 -1.15 0.00 0.00 33.47 30.06 1jws s TRP 121 CO -0.00 0.41 -0.17 -0.51 0.02 0.00 0.00 176.95 176.70 1jws s LEU 122 N -0.09 1.81 -0.36 2.99 1.43 0.31 -0.76 118.68 124.01 1jws s LEU 122 Ca 0.16 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1jws s LEU 122 Cb -0.13 -1.17 0.06 0.00 0.03 0.00 0.00 46.19 44.98 1jws s LEU 122 CO 0.04 0.03 0.13 -0.60 0.23 0.00 0.00 176.35 176.18 1jws s ARG 123 N 0.94 2.46 -0.73 1.70 3.52 0.13 -0.16 118.95 126.81 1jws s ARG 123 Ca -0.07 -1.37 -0.03 0.00 -0.13 0.00 0.00 55.73 54.14 1jws s ARG 123 Cb -0.15 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1jws s ARG 123 CO -0.02 -0.78 0.66 0.09 -0.81 0.00 0.00 175.30 174.44 1jws n ASN 124 N 4.75 -6.82 -1.31 -2.12 3.02 0.17 -2.21 115.26 110.74 1jws n ASN 124 Ca -0.10 -0.30 -0.10 0.00 -0.03 0.00 0.00 54.58 54.04 1jws n ASN 124 Cb 0.43 -4.06 -0.04 0.00 -0.61 0.00 0.00 39.78 35.50 1jws n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jws n GLY 125 N -1.55 0.96 2.82 7.41 0.00 -1.26 -4.92 105.19 108.64 1jws n GLY 125 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1jws n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jws s LYS 126 N -2.88 -0.00 0.03 1.61 1.02 -0.94 -5.08 119.74 113.49 1jws s LYS 126 Ca 0.00 0.21 -0.36 0.00 0.02 0.00 0.00 55.97 55.84 1jws s LYS 126 Cb 0.00 -0.20 -0.15 0.00 -0.52 0.00 0.00 37.83 36.96 1jws s LYS 126 CO 0.00 -0.15 1.56 -0.35 -0.92 0.00 0.00 175.35 175.49 1jws n PRO 127 N 4.03 1.61 -4.27 -1.68 -0.04 -1.25 0.20 135.00 133.60 1jws n PRO 127 Ca -0.25 0.58 -0.35 0.00 -0.04 0.00 0.00 63.50 63.44 1jws n PRO 127 Cb 0.52 -2.30 -0.09 0.00 -0.04 0.00 0.00 33.50 31.59 1jws n PRO 127 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jws s VAL 128 N 1.61 4.52 0.05 0.52 1.01 0.06 -4.86 120.40 123.31 1jws s VAL 128 Ca 0.86 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 1jws s VAL 128 Cb -0.85 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1jws s VAL 128 CO 0.48 0.59 -0.04 0.41 0.00 0.00 0.00 175.10 176.54 1jws n THR 129 N 2.31 0.98 -1.52 3.92 -1.04 -1.26 -4.53 114.28 113.15 1jws n THR 129 Ca -0.19 0.30 -0.49 0.00 -2.04 0.00 0.00 64.05 61.64 1jws n THR 129 Cb 0.54 -1.56 -0.04 0.00 -1.82 0.00 0.00 70.33 67.45 1jws n THR 129 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1jws n THR 130 N -3.38 1.34 0.00 12.58 -2.24 -1.26 -2.29 114.28 119.04 1jws n THR 130 Ca -0.02 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1jws n THR 130 Cb 0.06 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1jws n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jws n GLY 131 N 1.78 2.91 3.76 3.38 0.00 -1.26 -4.85 105.19 110.91 1jws n GLY 131 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1jws n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jws s VAL 132 N -0.87 2.87 0.07 1.61 -7.23 -0.97 -4.43 120.40 111.45 1jws s VAL 132 Ca 0.00 0.53 -0.13 0.00 -1.81 0.00 0.00 61.98 60.57 1jws s VAL 132 Cb 0.00 -3.19 0.02 0.00 0.56 0.00 0.00 36.38 33.76 1jws s VAL 132 CO 0.00 -0.13 0.29 -0.94 -0.31 0.00 0.00 175.10 174.01 1jws s SER 133 N -1.74 -0.08 0.07 4.85 1.04 0.00 -4.96 113.70 112.88 1jws s SER 133 Ca 0.75 -0.35 -0.08 0.00 0.48 0.00 0.00 55.95 56.75 1jws s SER 133 Cb -0.27 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 1jws s SER 133 CO 0.31 -0.70 0.16 -1.83 0.98 0.00 0.00 173.24 172.17 1jws s GLU 134 N -3.19 0.75 0.41 4.02 -1.05 -1.26 0.17 118.70 118.55 1jws s GLU 134 Ca -0.00 -0.87 0.08 0.00 -0.15 0.00 0.00 54.97 54.02 1jws s GLU 134 Cb 0.01 0.30 -0.00 0.00 -0.44 0.00 0.00 34.13 34.01 1jws s GLU 134 CO -0.07 -0.22 0.50 0.95 0.95 0.00 0.00 175.26 177.37 1jws s THR 135 N -3.39 2.94 0.11 1.83 -4.23 -0.30 -5.01 115.64 107.59 1jws s THR 135 Ca 0.01 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1jws s THR 135 Cb 0.03 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.88 1jws s THR 135 CO -0.08 -0.01 0.16 1.33 -0.54 0.00 0.00 174.62 175.47 1jws n VAL 136 N -1.74 0.00 -2.69 2.29 0.24 -1.26 -4.66 118.33 110.51 1jws n VAL 136 Ca 0.06 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.80 1jws n VAL 136 Cb 0.60 -1.75 -0.04 0.00 -1.47 0.00 0.00 33.84 31.18 1jws n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1jws s PHE 137 N -1.01 3.71 -0.16 6.34 0.08 -1.26 -4.67 117.98 121.02 1jws s PHE 137 Ca 0.09 1.72 -0.05 0.00 0.12 0.00 0.00 56.93 58.81 1jws s PHE 137 Cb -0.00 -3.12 -0.03 0.00 -0.57 0.00 0.00 43.02 39.29 1jws s PHE 137 CO 0.06 -0.02 0.02 -0.51 -0.10 0.00 0.00 175.22 174.67 1jws s LEU 138 N 0.49 3.59 0.83 -0.37 1.43 -0.82 -4.95 118.68 118.88 1jws s LEU 138 Ca 0.50 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 1jws s LEU 138 Cb -0.23 -1.88 0.09 0.00 0.03 0.00 0.00 46.19 44.21 1jws s LEU 138 CO 0.29 0.21 1.13 -2.16 0.23 0.00 0.00 176.35 176.05 1jws s PRO 139 N 0.15 1.68 0.03 1.29 0.04 -1.26 -1.38 135.00 135.56 1jws s PRO 139 Ca 0.02 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.50 1jws s PRO 139 Cb -0.13 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 1jws s PRO 139 CO 0.02 -2.12 -0.07 1.03 0.04 0.00 0.00 177.00 175.90 1jws s ARG 140 N -4.63 0.47 0.48 4.56 0.52 -1.07 -4.73 118.95 114.54 1jws s ARG 140 Ca 0.66 -0.70 0.22 0.00 -0.52 0.00 0.00 55.73 55.39 1jws s ARG 140 Cb -0.21 -0.20 1.25 0.00 0.52 0.00 0.00 34.95 36.31 1jws s ARG 140 CO 0.55 0.03 1.93 0.93 0.02 0.00 0.00 175.30 178.75 1jws h GLU 141 N 4.60 0.20 -0.31 3.54 4.39 -1.97 0.36 114.58 125.38 1jws h GLU 141 Ca -0.35 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1jws h GLU 141 Cb 1.20 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1jws h GLU 141 CO 0.41 0.13 0.00 -0.40 -1.16 0.00 0.00 179.01 177.99 1jws n ASP 142 N -4.41 1.92 -0.21 1.42 5.68 -1.26 -4.91 116.55 114.76 1jws n ASP 142 Ca 0.15 -1.91 -0.03 0.00 -0.50 0.00 0.00 54.79 52.50 1jws n ASP 142 Cb 0.67 -0.21 -0.01 0.00 -1.14 0.00 0.00 41.12 40.43 1jws n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1jws n HIS 143 N 0.52 0.00 -2.70 2.11 8.25 0.13 -5.02 115.22 118.51 1jws n HIS 143 Ca 0.14 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.49 1jws n HIS 143 Cb 0.32 -1.03 0.05 0.00 1.12 0.00 0.00 29.99 30.45 1jws n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jws n LEU 144 N -0.32 0.00 -4.51 2.41 4.77 -1.26 -4.85 117.00 113.24 1jws n LEU 144 Ca -0.03 -1.18 -0.25 0.00 -0.03 0.00 0.00 56.01 54.53 1jws n LEU 144 Cb 0.20 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 1jws n LEU 144 CO 0.04 -0.69 -0.37 -0.36 -1.33 0.00 0.00 177.39 174.68 1jws s PHE 145 N -1.19 2.27 0.37 -1.77 0.40 0.29 -2.61 117.98 115.74 1jws s PHE 145 Ca 0.33 -0.58 0.06 0.00 -0.60 0.00 0.00 56.93 56.14 1jws s PHE 145 Cb -0.02 -1.33 -0.07 0.00 0.51 0.00 0.00 43.02 42.11 1jws s PHE 145 CO 0.21 0.48 0.02 1.03 0.70 0.00 0.00 175.22 177.66 1jws s ARG 146 N -3.66 1.81 -0.28 0.44 0.52 -0.48 -1.45 118.95 115.86 1jws s ARG 146 Ca 0.32 -2.01 -0.27 0.00 -0.52 0.00 0.00 55.73 53.25 1jws s ARG 146 Cb 0.03 -1.32 0.18 0.00 0.52 0.00 0.00 34.95 34.37 1jws s ARG 146 CO 0.15 -0.09 1.34 0.21 0.02 0.00 0.00 175.30 176.93 1jws s LYS 147 N -3.78 0.13 -0.01 3.54 2.20 0.03 -1.95 119.74 119.90 1jws s LYS 147 Ca 0.35 0.08 0.05 0.00 -0.36 0.00 0.00 55.97 56.09 1jws s LYS 147 Cb 0.09 0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.46 1jws s LYS 147 CO 0.17 -0.03 -0.16 -0.06 -0.36 0.00 0.00 175.35 174.91 1jws s PHE 148 N -0.56 1.42 -0.02 4.03 0.40 -1.26 -0.98 117.98 121.00 1jws s PHE 148 Ca 0.07 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.18 1jws s PHE 148 Cb -0.03 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.57 1jws s PHE 148 CO -0.10 -0.04 -0.20 -1.01 0.70 0.00 0.00 175.22 174.58 1jws s HIS 149 N -0.33 1.82 -0.03 0.36 3.76 -0.99 -1.15 115.29 118.73 1jws s HIS 149 Ca 0.05 -0.39 0.05 0.00 -0.15 0.00 0.00 55.06 54.63 1jws s HIS 149 Cb -0.07 -1.18 -0.01 0.00 1.11 0.00 0.00 32.58 32.43 1jws s HIS 149 CO -0.00 -0.06 -0.20 0.71 -0.85 0.00 0.00 174.74 174.33 1jws s TYR 150 N -0.37 1.87 -0.27 1.40 1.51 0.45 -1.05 117.35 120.89 1jws s TYR 150 Ca 0.05 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 1jws s TYR 150 Cb -0.09 -1.23 0.08 0.00 -0.11 0.00 0.00 41.96 40.62 1jws s TYR 150 CO -0.00 -0.11 0.07 -1.17 -1.11 0.00 0.00 175.55 173.22 1jws s LEU 151 N -0.22 1.93 0.26 -1.29 2.96 -0.23 -0.82 118.68 121.28 1jws s LEU 151 Ca 0.01 -1.35 -0.30 0.00 -0.22 0.00 0.00 54.13 52.28 1jws s LEU 151 Cb -0.10 -0.81 -0.09 0.00 0.50 0.00 0.00 46.19 45.69 1jws s LEU 151 CO 0.01 -0.37 1.07 -2.84 -1.32 0.00 0.00 176.35 172.90 1jws s PRO 152 N 1.68 4.68 0.26 0.98 0.02 -1.26 -0.25 135.00 141.11 1jws s PRO 152 Ca 0.05 1.73 -0.02 0.00 0.02 0.00 0.00 61.00 62.78 1jws s PRO 152 Cb -0.17 -3.22 0.01 0.00 0.02 0.00 0.00 34.50 31.13 1jws s PRO 152 CO -0.19 0.26 0.37 1.97 -0.33 0.00 0.00 177.00 179.08 1jws n PHE 153 N 1.40 -1.21 -3.99 6.54 -1.74 0.38 -4.92 117.46 113.91 1jws n PHE 153 Ca -0.01 -1.74 -0.31 0.00 -0.56 0.00 0.00 57.45 54.83 1jws n PHE 153 Cb 0.45 0.42 -0.15 0.00 1.52 0.00 0.00 39.48 41.72 1jws n PHE 153 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1jws s LEU 154 N 0.00 3.41 0.37 5.98 2.96 -1.26 -2.18 118.68 127.95 1jws s LEU 154 Ca 0.21 -1.54 -0.25 0.00 -0.22 0.00 0.00 54.13 52.34 1jws s LEU 154 Cb -0.01 -1.40 -0.13 0.00 0.50 0.00 0.00 46.19 45.15 1jws s LEU 154 CO 0.15 -0.27 0.77 -2.65 -1.32 0.00 0.00 176.35 173.04 1jws n PRO 155 N 4.49 0.90 -3.43 0.98 -0.02 -1.26 -4.78 135.00 131.88 1jws n PRO 155 Ca -0.08 0.32 -0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1jws n PRO 155 Cb 0.43 -1.67 -0.02 0.00 -0.02 0.00 0.00 33.50 32.21 1jws n PRO 155 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1jws s SER 156 N -0.80 -0.56 0.03 2.55 1.04 -1.26 -1.63 113.70 113.07 1jws s SER 156 Ca 0.62 -0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.87 1jws s SER 156 Cb -0.65 0.60 -0.30 0.00 0.10 0.00 0.00 66.02 65.77 1jws s SER 156 CO 0.58 -0.97 1.05 0.71 0.98 0.00 0.00 173.24 175.60 1jws h THR 157 N 2.01 1.33 -0.41 2.02 1.35 -1.94 -3.36 112.91 113.90 1jws h THR 157 Ca -0.34 -2.47 -0.06 0.00 -0.55 0.00 0.00 66.41 63.00 1jws h THR 157 Cb 1.31 2.82 -0.02 0.00 -1.73 0.00 0.00 68.15 70.52 1jws h THR 157 CO 0.38 0.74 0.02 -0.33 -0.25 0.00 0.00 175.52 176.08 1jws h GLU 158 N 0.13 0.64 -6.98 4.72 5.08 -1.97 -3.45 114.58 112.75 1jws h GLU 158 Ca -0.18 -0.15 -0.49 0.00 -1.00 0.00 0.00 59.36 57.54 1jws h GLU 158 Cb 1.86 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 31.06 1jws h GLU 158 CO 0.22 0.65 0.43 -0.51 -1.00 0.00 0.00 179.01 178.81 1jws s ASP 159 N -6.69 6.55 -0.06 1.42 1.01 -1.26 -5.06 116.67 112.58 1jws s ASP 159 Ca -0.08 2.12 -0.02 0.00 0.71 0.00 0.00 52.55 55.28 1jws s ASP 159 Cb 0.15 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.52 1jws s ASP 159 CO 0.78 -0.64 0.03 0.68 0.21 0.00 0.00 175.17 176.23 1jws s VAL 160 N -1.64 0.17 0.30 -1.27 -7.23 -1.26 -4.20 120.40 105.28 1jws s VAL 160 Ca 0.60 0.23 0.07 0.00 -1.81 0.00 0.00 61.98 61.07 1jws s VAL 160 Cb -0.24 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.28 1jws s VAL 160 CO 0.30 0.21 0.24 -0.31 -0.31 0.00 0.00 175.10 175.22 1jws s TYR 161 N 2.05 2.96 -0.02 2.82 1.51 0.14 -0.66 117.35 126.17 1jws s TYR 161 Ca 0.05 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 55.84 1jws s TYR 161 Cb -0.12 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1jws s TYR 161 CO -0.04 0.32 0.07 -0.51 -1.11 0.00 0.00 175.55 174.28 1jws s ASP 162 N -3.93 -0.01 -0.38 2.29 1.01 0.77 -0.58 116.67 115.84 1jws s ASP 162 Ca 0.38 -0.02 -0.07 0.00 0.71 0.00 0.00 52.55 53.55 1jws s ASP 162 Cb -0.06 0.16 0.07 0.00 1.01 0.00 0.00 42.92 44.10 1jws s ASP 162 CO 0.26 -0.14 0.18 0.00 0.21 0.00 0.00 175.17 175.68 1jws s ARG 164 N 1.36 3.76 -0.07 0.00 3.52 0.25 -1.95 118.95 125.81 1jws s ARG 164 Ca 0.02 0.08 0.03 0.00 -0.13 0.00 0.00 55.73 55.72 1jws s ARG 164 Cb -0.22 -3.77 -0.02 0.00 -1.56 0.00 0.00 34.95 29.38 1jws s ARG 164 CO 0.01 -0.62 -0.15 0.08 -0.81 0.00 0.00 175.30 173.80 1jws s VAL 165 N 2.54 2.93 -0.07 7.11 1.01 0.89 -0.51 120.40 134.30 1jws s VAL 165 Ca 0.22 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1jws s VAL 165 Cb -0.15 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 1jws s VAL 165 CO 0.13 0.57 -0.20 -1.61 0.00 0.00 0.00 175.10 173.99 1jws s GLU 166 N -0.41 2.35 -0.23 2.72 2.02 -0.01 -0.57 118.70 124.57 1jws s GLU 166 Ca 0.05 -0.72 -0.26 0.00 0.02 0.00 0.00 54.97 54.06 1jws s GLU 166 Cb -0.12 -1.90 0.07 0.00 0.10 0.00 0.00 34.13 32.28 1jws s GLU 166 CO 0.02 0.21 0.71 -1.58 0.02 0.00 0.00 175.26 174.64 1jws s HIS 167 N 0.22 -0.76 0.52 1.61 2.46 -1.26 -1.83 115.29 116.25 1jws s HIS 167 Ca -0.11 1.78 0.25 0.00 0.47 0.00 0.00 55.06 57.46 1jws s HIS 167 Cb -0.15 0.29 1.38 0.00 -0.13 0.00 0.00 32.58 33.97 1jws s HIS 167 CO 0.05 -0.41 1.97 -1.49 -2.47 0.00 0.00 174.74 172.39 1jws h TRP 168 N 4.69 0.05 0.00 3.88 6.55 -1.94 0.23 115.95 129.41 1jws h TRP 168 Ca -0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.55 1jws h TRP 168 Cb 1.16 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.44 1jws h TRP 168 CO 0.39 0.02 0.00 0.41 -1.05 0.00 0.00 178.44 178.21 1jws n GLY 169 N -1.64 -1.26 3.80 1.49 0.00 -1.26 -4.69 105.19 101.63 1jws n GLY 169 Ca 0.12 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1jws n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jws s LEU 170 N -3.86 4.46 0.24 0.99 1.43 0.79 -4.39 118.68 118.33 1jws s LEU 170 Ca 0.07 1.07 0.04 0.00 -1.03 0.00 0.00 54.13 54.27 1jws s LEU 170 Cb 0.11 -2.75 0.26 0.00 0.03 0.00 0.00 46.19 43.83 1jws s LEU 170 CO 0.39 0.23 1.57 0.44 0.23 0.00 0.00 176.35 179.21 1jws h ASP 171 N 5.07 0.31 -5.03 2.29 3.45 -1.84 -3.46 116.42 117.22 1jws h ASP 171 Ca -0.48 -0.17 -0.09 0.00 0.43 0.00 0.00 57.03 56.72 1jws h ASP 171 Cb 1.21 -0.09 -0.17 0.00 -0.56 0.00 0.00 39.33 39.72 1jws h ASP 171 CO 0.65 0.82 -0.17 -1.61 -1.57 0.00 0.00 179.24 177.36 1jws s GLU 172 N -3.83 0.85 0.30 3.56 2.02 -1.26 -5.14 118.70 115.20 1jws s GLU 172 Ca -0.04 -0.36 -0.25 0.00 0.02 0.00 0.00 54.97 54.34 1jws s GLU 172 Cb 0.12 0.37 -0.16 0.00 0.10 0.00 0.00 34.13 34.57 1jws s GLU 172 CO 0.80 -0.27 0.42 -2.30 0.02 0.00 0.00 175.26 173.93 1jws n PRO 173 N 0.68 0.18 -4.35 0.39 -0.02 -1.26 -4.93 135.00 125.69 1jws n PRO 173 Ca -0.19 0.07 -0.34 0.00 -2.02 0.00 0.00 63.50 61.02 1jws n PRO 173 Cb 0.59 -1.13 -0.13 0.00 -0.02 0.00 0.00 33.50 32.80 1jws n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jws s LEU 174 N 3.07 2.99 -0.30 2.45 2.96 0.27 -4.95 118.68 125.18 1jws s LEU 174 Ca 0.62 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 54.23 1jws s LEU 174 Cb -0.77 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.24 1jws s LEU 174 CO 0.59 0.11 0.02 -0.76 -1.32 0.00 0.00 176.35 174.98 1jws s LEU 175 N 0.72 3.91 -0.44 -0.68 1.02 -1.26 -0.08 118.68 121.88 1jws s LEU 175 Ca -0.03 -1.19 -0.20 0.00 0.02 0.00 0.00 54.13 52.74 1jws s LEU 175 Cb -0.15 -1.74 0.03 0.00 0.02 0.00 0.00 46.19 44.34 1jws s LEU 175 CO 0.02 -0.26 0.58 -0.54 0.02 0.00 0.00 176.35 176.17 1jws s LYS 176 N 1.30 3.21 0.23 1.70 -0.14 -0.82 -4.88 119.74 120.33 1jws s LYS 176 Ca -0.04 -0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 53.75 1jws s LYS 176 Cb -0.19 -3.96 -0.09 0.00 -1.68 0.00 0.00 37.83 31.90 1jws s LYS 176 CO -0.00 -0.97 1.28 -1.58 -0.76 0.00 0.00 175.35 173.31 1jws s HIS 177 N 2.60 3.26 -0.16 3.18 5.65 -1.26 -2.07 115.29 126.49 1jws s HIS 177 Ca 0.19 1.31 -0.07 0.00 0.25 0.00 0.00 55.06 56.73 1jws s HIS 177 Cb -0.15 -3.58 0.07 0.00 -1.18 0.00 0.00 32.58 27.74 1jws s HIS 177 CO 0.17 -1.72 0.36 -0.46 -0.65 0.00 0.00 174.74 172.44 1jws s TRP 178 N -0.20 -0.59 0.06 3.88 -0.00 0.25 -4.96 118.94 117.38 1jws s TRP 178 Ca 0.54 1.22 -0.04 0.00 -0.00 0.00 0.00 56.10 57.82 1jws s TRP 178 Cb -0.36 0.19 -0.02 0.00 -0.00 0.00 0.00 33.47 33.27 1jws s TRP 178 CO 0.41 -0.37 0.06 -1.83 -0.00 0.00 0.00 176.95 175.22 1jws s GLU 179 N 1.93 0.66 -0.08 5.86 -1.05 -1.26 0.29 118.70 125.05 1jws s GLU 179 Ca -0.05 -1.01 -0.30 0.00 -0.15 0.00 0.00 54.97 53.47 1jws s GLU 179 Cb -0.10 0.25 -0.05 0.00 -0.44 0.00 0.00 34.13 33.79 1jws s GLU 179 CO -0.11 -0.16 1.58 0.12 0.95 0.00 0.00 175.26 177.63 1jws s PHE 180 N -3.48 2.15 -0.36 4.83 5.36 -1.26 -4.91 117.98 120.30 1jws s PHE 180 Ca 0.03 0.37 0.14 0.00 -0.96 0.00 0.00 56.93 56.50 1jws s PHE 180 Cb 0.04 -3.84 0.43 0.00 -0.34 0.00 0.00 43.02 39.31 1jws s PHE 180 CO -0.09 -3.40 0.94 -0.25 -1.46 0.00 0.00 175.22 170.96 1jws n ASP 181 N 7.11 1.99 0.00 6.13 8.00 -1.26 -4.95 116.55 133.57 1jws n ASP 181 Ca 0.17 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.70 1jws n ASP 181 Cb 0.43 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1jws n ASP 181 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81