#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwn n ASP 2 N 0.00 6.15 -3.95 0.00 5.75 -1.26 -4.93 116.55 118.32 3jwn n ASP 2 Ca 0.00 -3.77 -0.31 0.00 -0.01 0.00 0.00 54.79 50.70 3jwn n ASP 2 Cb 0.00 -0.79 0.02 0.00 -1.03 0.00 0.00 41.12 39.32 3jwn n ASP 2 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3jwn n SER 3 N -0.47 -4.41 -4.76 -1.12 7.64 -1.26 -4.94 113.62 104.30 3jwn n SER 3 Ca 0.46 -0.81 -0.39 0.00 1.01 0.00 0.00 58.87 59.14 3jwn n SER 3 Cb 0.42 -3.74 -0.06 0.00 -1.01 0.00 0.00 64.21 59.83 3jwn n SER 3 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3jwn s THR 4 N -3.33 4.88 -0.33 0.44 2.01 -1.26 -5.05 115.64 113.01 3jwn s THR 4 Ca 0.64 1.28 -0.04 0.00 0.31 0.00 0.00 61.69 63.88 3jwn s THR 4 Cb -0.32 -3.95 0.05 0.00 0.01 0.00 0.00 72.50 68.29 3jwn s THR 4 CO 0.84 0.42 0.07 -0.63 -0.69 0.00 0.00 174.62 174.63 3jwn s ILE 5 N -0.22 3.39 0.01 1.82 1.01 -1.26 -5.10 121.20 120.85 3jwn s ILE 5 Ca 0.32 -1.33 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 3jwn s ILE 5 Cb -0.18 -2.97 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 3jwn s ILE 5 CO 0.18 -0.20 0.54 -0.89 0.00 0.00 0.00 174.94 174.57 3jwn s THR 6 N 1.31 4.90 -0.09 2.92 2.01 -1.26 -5.07 115.64 120.35 3jwn s THR 6 Ca -0.02 1.14 0.03 0.00 0.31 0.00 0.00 61.69 63.15 3jwn s THR 6 Cb -0.20 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.45 3jwn s THR 6 CO 0.00 0.48 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.61 3jwn s ILE 7 N -0.54 1.59 0.13 1.82 1.01 -1.26 -5.13 121.20 118.82 3jwn s ILE 7 Ca 0.29 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3jwn s ILE 7 Cb -0.18 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3jwn s ILE 7 CO 0.16 0.46 -0.02 0.00 0.00 0.00 0.00 174.94 175.54 3jwn s ARG 8 N 0.68 0.95 0.00 2.79 1.70 -1.26 -5.15 118.95 118.67 3jwn s ARG 8 Ca -0.13 -1.43 0.00 0.00 -0.47 0.00 0.00 55.73 53.70 3jwn s ARG 8 Cb -0.16 -0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.07 3jwn s ARG 8 CO 0.03 -0.11 0.00 0.41 -1.08 0.00 0.00 175.30 174.56 3jwn n GLY 9 N -0.13 -1.02 3.09 3.88 0.00 -1.26 -5.17 105.19 104.59 3jwn n GLY 9 Ca -0.09 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 3jwn n GLY 9 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jwn s TYR 10 N -3.00 0.10 -0.24 1.61 2.02 -1.26 -5.12 117.35 111.47 3jwn s TYR 10 Ca 0.00 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 3jwn s TYR 10 Cb 0.00 -0.09 0.03 0.00 -0.40 0.00 0.00 41.96 41.51 3jwn s TYR 10 CO 0.00 -0.30 -0.10 0.08 -1.57 0.00 0.00 175.55 173.67 3jwn s VAL 11 N -1.69 2.55 0.05 0.71 1.01 -1.26 -5.12 120.40 116.64 3jwn s VAL 11 Ca -0.13 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 60.76 3jwn s VAL 11 Cb -0.06 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3jwn s VAL 11 CO -0.00 0.20 -0.21 -0.13 0.00 0.00 0.00 175.10 174.96 3jwn s ARG 12 N 1.26 1.42 0.09 2.72 0.52 -1.26 -5.11 118.95 118.60 3jwn s ARG 12 Ca -0.01 -0.97 -0.31 0.00 -0.52 0.00 0.00 55.73 53.92 3jwn s ARG 12 Cb -0.17 -1.55 -0.08 0.00 0.52 0.00 0.00 34.95 33.67 3jwn s ARG 12 CO -0.06 0.39 1.47 -0.51 0.02 0.00 0.00 175.30 176.61 3jwn s ASP 13 N -1.21 6.75 0.67 0.23 1.11 -1.26 -4.99 116.67 117.96 3jwn s ASP 13 Ca 0.08 2.37 -0.03 0.00 0.18 0.00 0.00 52.55 55.15 3jwn s ASP 13 Cb -0.09 -2.58 0.07 0.00 1.07 0.00 0.00 42.92 41.40 3jwn s ASP 13 CO 0.02 -0.74 0.94 0.21 1.18 0.00 0.00 175.17 176.78 3jwn s ASN 14 N 1.49 4.78 0.00 0.27 2.47 -1.26 -4.88 114.94 117.80 3jwn s ASN 14 Ca 0.67 0.08 0.00 0.00 0.42 0.00 0.00 52.86 54.03 3jwn s ASN 14 Cb -0.38 -0.71 0.00 0.00 -1.45 0.00 0.00 41.25 38.71 3jwn s ASN 14 CO 0.30 -1.56 0.00 0.61 -3.72 0.00 0.00 177.10 172.73 3jwn n GLY 15 N -2.74 1.25 3.32 1.21 0.00 -1.26 -3.76 105.19 103.22 3jwn n GLY 15 Ca 0.10 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 3jwn n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwn s SER 17 N -2.12 6.83 -0.13 0.00 0.15 -0.63 -4.95 113.70 112.85 3jwn s SER 17 Ca 0.10 1.00 -0.01 0.00 0.70 0.00 0.00 55.95 57.75 3jwn s SER 17 Cb -0.09 -2.38 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 3jwn s SER 17 CO 0.05 -0.19 -0.10 -0.69 1.20 0.00 0.00 173.24 173.51 3jwn s VAL 18 N 1.35 3.32 -0.09 4.45 1.01 -1.26 -1.45 120.40 127.73 3jwn s VAL 18 Ca 0.33 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 3jwn s VAL 18 Cb -0.16 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.84 3jwn s VAL 18 CO 0.13 0.52 0.03 0.00 0.00 0.00 0.00 175.10 175.79 3jwn s ALA 19 N 0.24 0.56 -0.21 5.51 0.00 -0.88 -5.00 121.76 121.97 3jwn s ALA 19 Ca -0.07 -0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.66 3jwn s ALA 19 Cb -0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 3jwn s ALA 19 CO 0.04 -0.65 0.14 0.00 0.00 0.00 0.00 175.76 175.29 3jwn s ALA 20 N 2.04 3.67 0.09 0.00 0.00 -1.26 -1.24 121.76 125.05 3jwn s ALA 20 Ca 0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 3jwn s ALA 20 Cb -0.13 -2.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.71 3jwn s ALA 20 CO -0.05 0.06 1.14 -2.00 0.00 0.00 0.00 175.76 174.91 3jwn s GLU 21 N 0.56 4.49 -0.08 0.00 2.12 -0.64 -5.01 118.70 120.14 3jwn s GLU 21 Ca 0.08 1.71 -0.27 0.00 0.36 0.00 0.00 54.97 56.86 3jwn s GLU 21 Cb -0.12 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 3jwn s GLU 21 CO -0.00 -0.14 0.86 -1.54 -0.54 0.00 0.00 175.26 173.90 3jwn s SER 22 N 0.72 7.12 0.38 -1.70 1.04 -1.26 -4.70 113.70 115.30 3jwn s SER 22 Ca 0.55 1.36 -0.24 0.00 0.48 0.00 0.00 55.95 58.11 3jwn s SER 22 Cb -0.28 -2.49 -0.10 0.00 0.10 0.00 0.00 66.02 63.25 3jwn s SER 22 CO 0.31 -0.28 0.95 -0.89 0.98 0.00 0.00 173.24 174.31 3jwn s THR 23 N 1.42 4.26 0.01 2.02 2.01 -1.26 -5.07 115.64 119.02 3jwn s THR 23 Ca 0.43 1.63 0.08 0.00 0.31 0.00 0.00 61.69 64.15 3jwn s THR 23 Cb -0.18 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 3jwn s THR 23 CO 0.19 -0.08 -0.26 0.21 -0.69 0.00 0.00 174.62 173.99 3jwn s ASN 24 N -1.88 3.07 0.08 3.53 3.84 -1.26 -5.11 114.94 117.21 3jwn s ASN 24 Ca 0.56 -0.52 0.10 0.00 0.21 0.00 0.00 52.86 53.21 3jwn s ASN 24 Cb -0.14 -0.32 -0.03 0.00 -0.55 0.00 0.00 41.25 40.21 3jwn s ASN 24 CO 0.19 0.29 -0.26 -0.36 -2.79 0.00 0.00 177.10 174.17 3jwn s PHE 25 N -0.69 2.28 0.14 0.43 0.40 -1.26 -4.94 117.98 114.34 3jwn s PHE 25 Ca 0.11 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 3jwn s PHE 25 Cb -0.10 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.11 3jwn s PHE 25 CO 0.00 0.20 0.00 -2.37 0.70 0.00 0.00 175.22 173.75 3jwn n THR 26 N 1.47 0.15 0.00 0.64 5.66 -1.26 -5.04 114.28 115.91 3jwn n THR 26 Ca -0.17 0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 3jwn n THR 26 Cb 0.52 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 3jwn n THR 26 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3jwn n VAL 27 N -3.10 0.00 -2.79 1.08 3.14 -1.26 -4.46 118.33 110.94 3jwn n VAL 27 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 3jwn n VAL 27 Cb 0.05 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.88 3jwn n VAL 27 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3jwn n ASP 28 N 0.00 -2.22 -3.95 6.55 -0.08 -1.26 -3.75 116.55 111.83 3jwn n ASP 28 Ca 0.00 -0.33 -0.27 0.00 -1.51 0.00 0.00 54.79 52.69 3jwn n ASP 28 Cb 0.00 -2.96 -0.08 0.00 2.34 0.00 0.00 41.12 40.43 3jwn n ASP 28 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3jwn n LEU 29 N -2.68 -0.75 0.00 -2.67 -0.00 -1.26 -4.92 117.00 104.72 3jwn n LEU 29 Ca -0.14 -1.02 0.00 0.00 -0.00 0.00 0.00 56.01 54.85 3jwn n LEU 29 Cb 0.59 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.73 3jwn n LEU 29 CO 0.33 0.31 0.02 0.23 -0.00 0.00 0.00 177.39 178.28 3jwn n MET 30 N -3.76 0.00 0.03 1.47 2.81 -1.25 -3.50 117.12 112.93 3jwn n MET 30 Ca -0.19 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.59 3jwn n MET 30 Cb 0.52 -0.39 -0.05 0.00 -0.71 0.00 0.00 33.22 32.58 3jwn n MET 30 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3jwn h GLU 31 N 0.00 -0.44 -0.49 0.03 4.39 -1.91 -2.66 114.58 113.50 3jwn h GLU 31 Ca 0.00 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.80 3jwn h GLU 31 Cb 0.00 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 3jwn h GLU 31 CO 0.00 -0.29 -0.21 0.09 -1.16 0.00 0.00 179.01 177.43 3jwn n ASN 32 N -5.42 -0.37 -0.02 1.42 5.03 -1.26 0.11 115.26 114.75 3jwn n ASN 32 Ca -0.04 0.86 -0.12 0.00 0.87 0.00 0.00 54.58 56.15 3jwn n ASN 32 Cb 0.34 -0.18 -0.07 0.00 -1.02 0.00 0.00 39.78 38.85 3jwn n ASN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3jwn h ALA 33 N 0.58 0.11 -0.77 5.41 0.00 -1.51 -3.07 119.26 120.01 3jwn h ALA 33 Ca 0.15 -0.12 -0.40 0.00 0.00 0.00 0.00 54.91 54.53 3jwn h ALA 33 Cb 0.27 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 17.79 3jwn h ALA 33 CO -0.48 -0.27 0.51 0.00 0.00 0.00 0.00 179.25 179.01 3jwn n ALA 34 N -2.23 4.91 -1.46 0.00 0.00 0.11 -4.85 120.51 116.99 3jwn n ALA 34 Ca -0.06 -2.24 0.00 0.00 0.00 0.00 0.00 53.44 51.14 3jwn n ALA 34 Cb 0.14 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3jwn n ALA 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3jwn n LYS 35 N -0.75 0.00 -3.44 0.00 4.81 0.29 -4.83 118.16 114.24 3jwn n LYS 35 Ca 0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.65 3jwn n LYS 35 Cb 1.38 0.00 0.01 0.00 0.02 0.00 0.00 35.03 36.43 3jwn n LYS 35 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3jwn n GLN 36 N 0.00 -4.12 -1.42 1.64 7.27 -1.26 -4.86 117.38 114.63 3jwn n GLN 36 Ca 0.00 0.58 -0.31 0.00 0.07 0.00 0.00 57.00 57.34 3jwn n GLN 36 Cb 0.00 -5.36 -0.06 0.00 2.41 0.00 0.00 30.24 27.23 3jwn n GLN 36 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3jwn n PHE 37 N -4.22 1.74 -2.88 3.69 7.35 -1.26 -4.92 117.46 116.96 3jwn n PHE 37 Ca -0.02 -2.47 0.09 0.00 -0.76 0.00 0.00 57.45 54.29 3jwn n PHE 37 Cb 0.55 -1.96 -0.02 0.00 0.35 0.00 0.00 39.48 38.40 3jwn n PHE 37 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3jwn n ASN 38 N 2.48 -6.18 0.17 -2.13 4.13 -1.26 -3.40 115.26 109.07 3jwn n ASN 38 Ca 0.62 0.70 0.14 0.00 1.68 0.00 0.00 54.58 57.72 3jwn n ASN 38 Cb 0.45 -1.98 0.49 0.00 -1.54 0.00 0.00 39.78 37.20 3jwn n ASN 38 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3jwn h ASN 39 N -0.61 0.00 -0.84 6.41 -1.07 -1.91 -3.20 115.58 114.36 3jwn h ASN 39 Ca 0.01 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 55.77 3jwn h ASN 39 Cb 0.60 0.00 -0.11 0.00 -2.07 0.00 0.00 38.32 36.74 3jwn h ASN 39 CO 0.00 0.00 1.80 0.00 0.07 0.00 0.00 177.43 179.30 3jwn n ILE 40 N -2.56 4.36 0.12 6.14 3.06 -1.26 -4.37 119.36 124.85 3jwn n ILE 40 Ca 0.03 -3.42 -0.13 0.00 -2.50 0.00 0.00 62.75 56.73 3jwn n ILE 40 Cb 0.32 -2.02 -0.08 0.00 0.54 0.00 0.00 39.64 38.41 3jwn n ILE 40 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 3jwn h GLY 41 N 5.28 -0.29 -4.93 4.50 0.00 -1.57 -3.46 103.07 102.61 3jwn h GLY 41 Ca 0.59 0.11 -0.29 0.00 0.00 0.00 0.00 47.33 47.74 3jwn h GLY 41 CO 1.23 -0.10 -0.41 0.00 0.00 0.00 0.00 176.54 177.26 3jwn n ALA 42 N -2.32 -0.97 -3.58 3.60 0.00 -1.26 -4.87 120.51 111.11 3jwn n ALA 42 Ca -0.09 0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 3jwn n ALA 42 Cb 0.20 -2.03 -0.08 0.00 0.00 0.00 0.00 19.45 17.54 3jwn n ALA 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3jwn s THR 43 N -2.71 -0.00 0.02 0.00 2.01 -1.22 -4.98 115.64 108.75 3jwn s THR 43 Ca 0.23 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.96 3jwn s THR 43 Cb -0.12 -0.93 0.09 0.00 0.01 0.00 0.00 72.50 71.55 3jwn s THR 43 CO 0.28 0.00 0.75 -0.89 -0.69 0.00 0.00 174.62 174.07 3jwn s THR 44 N 0.53 0.00 -0.48 -0.82 2.01 -1.26 -4.70 115.64 110.92 3jwn s THR 44 Ca -0.01 0.00 -0.32 0.00 0.31 0.00 0.00 61.69 61.66 3jwn s THR 44 Cb -0.05 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.34 3jwn s THR 44 CO -0.02 0.00 2.32 -0.81 -0.69 0.00 0.00 174.62 175.42 3jwn n PRO 45 N 0.16 0.91 -1.63 4.92 -0.04 -1.26 -4.84 135.00 133.22 3jwn n PRO 45 Ca -0.15 0.18 -0.48 0.00 -0.04 0.00 0.00 63.50 63.02 3jwn n PRO 45 Cb 0.61 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.50 3jwn n PRO 45 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3jwn n VAL 46 N 7.43 0.44 -3.70 0.52 0.24 -1.26 -4.87 118.33 117.13 3jwn n VAL 46 Ca 0.44 -0.11 -0.37 0.00 -2.04 0.00 0.00 64.34 62.26 3jwn n VAL 46 Cb 0.27 -1.18 -0.11 0.00 -1.47 0.00 0.00 33.84 31.34 3jwn n VAL 46 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3jwn s VAL 47 N 0.31 4.87 0.43 3.34 1.01 -0.43 -4.90 120.40 125.04 3jwn s VAL 47 Ca 0.76 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.61 3jwn s VAL 47 Cb -0.78 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 3jwn s VAL 47 CO 0.46 0.31 0.87 -2.16 0.00 0.00 0.00 175.10 174.58 3jwn s PRO 48 N 1.53 3.95 -0.00 2.72 0.04 -1.26 -0.11 135.00 141.86 3jwn s PRO 48 Ca 0.06 0.78 -0.09 0.00 0.04 0.00 0.00 61.00 61.79 3jwn s PRO 48 Cb -0.15 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.12 3jwn s PRO 48 CO 0.07 -0.09 0.18 -0.59 0.04 0.00 0.00 177.00 176.61 3jwn s PHE 49 N -2.37 -0.01 0.17 0.56 -0.12 0.22 -4.91 117.98 111.52 3jwn s PHE 49 Ca 0.56 -0.03 0.07 0.00 -0.05 0.00 0.00 56.93 57.48 3jwn s PHE 49 Cb -0.10 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 3jwn s PHE 49 CO 0.26 -0.31 -0.01 -0.98 -0.05 0.00 0.00 175.22 174.13 3jwn s ARG 50 N -1.35 2.37 -0.21 1.99 1.70 -1.26 -1.09 118.95 121.10 3jwn s ARG 50 Ca -0.14 -1.12 0.01 0.00 -0.47 0.00 0.00 55.73 54.01 3jwn s ARG 50 Cb -0.07 -2.34 0.03 0.00 -0.57 0.00 0.00 34.95 32.00 3jwn s ARG 50 CO 0.02 0.46 -0.15 0.42 -1.08 0.00 0.00 175.30 174.97 3jwn s ILE 51 N -1.71 2.26 -0.26 4.99 1.01 0.24 -1.62 121.20 126.11 3jwn s ILE 51 Ca 0.27 -1.11 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 3jwn s ILE 51 Cb -0.09 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 3jwn s ILE 51 CO 0.18 0.34 0.42 -0.22 0.00 0.00 0.00 174.94 175.66 3jwn s LEU 52 N 1.25 4.05 -0.88 2.97 2.96 -0.37 -1.07 118.68 127.60 3jwn s LEU 52 Ca 0.01 0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 54.19 3jwn s LEU 52 Cb -0.15 -2.51 0.23 0.00 0.50 0.00 0.00 46.19 44.25 3jwn s LEU 52 CO -0.09 -0.21 0.82 -0.76 -1.32 0.00 0.00 176.35 174.79 3jwn s LEU 53 N 2.07 6.50 -0.28 -0.68 1.02 0.14 -2.08 118.68 125.37 3jwn s LEU 53 Ca 0.17 -2.95 -0.18 0.00 0.02 0.00 0.00 54.13 51.20 3jwn s LEU 53 Cb -0.16 -2.17 0.10 0.00 0.02 0.00 0.00 46.19 43.99 3jwn s LEU 53 CO 0.09 -0.48 0.82 -0.55 0.02 0.00 0.00 176.35 176.26 3jwn s SER 54 N 1.76 -0.73 1.08 2.29 0.15 -0.53 -0.82 113.70 116.90 3jwn s SER 54 Ca 0.21 1.21 -0.16 0.00 0.70 0.00 0.00 55.95 57.91 3jwn s SER 54 Cb -0.11 1.29 0.23 0.00 -1.71 0.00 0.00 66.02 65.72 3jwn s SER 54 CO -0.08 -0.19 1.12 -2.16 1.20 0.00 0.00 173.24 173.12 3jwn s PRO 55 N 1.25 -0.23 -0.03 5.44 0.04 -1.26 -4.41 135.00 135.79 3jwn s PRO 55 Ca -0.07 0.15 -0.02 0.00 0.04 0.00 0.00 61.00 61.09 3jwn s PRO 55 Cb -0.05 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.82 3jwn s PRO 55 CO -0.14 -3.09 0.08 0.00 0.04 0.00 0.00 177.00 173.88 3jwn s GLY 57 N 0.57 1.59 0.17 0.00 0.00 0.51 -3.99 107.32 106.17 3jwn s GLY 57 Ca -0.04 -0.00 0.24 0.00 0.00 0.00 0.00 44.72 44.91 3jwn s GLY 57 CO -0.02 0.61 1.73 0.70 0.00 0.00 0.00 173.10 176.12 3jwn n ASN 58 N -4.54 0.54 0.37 1.64 3.02 -1.26 -3.10 115.26 111.93 3jwn n ASN 58 Ca 0.06 0.59 -0.15 0.00 -0.03 0.00 0.00 54.58 55.05 3jwn n ASN 58 Cb 0.54 -0.72 -0.07 0.00 -0.61 0.00 0.00 39.78 38.92 3jwn n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwn h ALA 59 N 2.48 -1.03 -1.24 5.41 0.00 -1.90 -3.42 119.26 119.56 3jwn h ALA 59 Ca 0.00 -0.21 -0.58 0.00 0.00 0.00 0.00 54.91 54.12 3jwn h ALA 59 Cb 0.49 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3jwn h ALA 59 CO 0.00 -0.96 1.54 1.33 0.00 0.00 0.00 179.25 181.16 3jwn n VAL 60 N -5.25 0.12 0.09 0.00 0.24 -1.23 -4.79 118.33 107.50 3jwn n VAL 60 Ca -0.12 -0.41 0.01 0.00 -2.04 0.00 0.00 64.34 61.78 3jwn n VAL 60 Cb 0.39 -1.97 0.00 0.00 -1.47 0.00 0.00 33.84 30.78 3jwn n VAL 60 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3jwn n SER 61 N 11.91 0.70 -3.64 -1.34 3.41 -1.26 -3.61 113.62 119.79 3jwn n SER 61 Ca 0.41 -0.85 -0.09 0.00 -0.26 0.00 0.00 58.87 58.09 3jwn n SER 61 Cb 0.33 0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 3jwn n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jwn s ALA 62 N -0.62 -1.96 0.07 7.33 0.00 -1.26 -1.26 121.76 124.07 3jwn s ALA 62 Ca 0.02 2.09 0.01 0.00 0.00 0.00 0.00 51.96 54.08 3jwn s ALA 62 Cb 0.02 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 3jwn s ALA 62 CO 0.05 -0.31 -0.06 0.14 0.00 0.00 0.00 175.76 175.57 3jwn s VAL 63 N 0.76 0.57 -0.34 0.00 -7.23 -0.27 -3.58 120.40 110.31 3jwn s VAL 63 Ca -0.03 -1.65 -0.09 0.00 -1.81 0.00 0.00 61.98 58.40 3jwn s VAL 63 Cb -0.05 -1.32 0.02 0.00 0.56 0.00 0.00 36.38 35.59 3jwn s VAL 63 CO -0.09 -0.75 0.16 -0.75 -0.31 0.00 0.00 175.10 173.36 3jwn s LYS 64 N -3.16 2.99 0.03 4.82 2.20 -0.34 -0.16 119.74 126.12 3jwn s LYS 64 Ca 0.04 -0.95 0.02 0.00 -0.36 0.00 0.00 55.97 54.72 3jwn s LYS 64 Cb 0.01 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 3jwn s LYS 64 CO -0.04 -0.57 0.05 0.14 -0.36 0.00 0.00 175.35 174.57 3jwn s VAL 65 N 1.54 4.42 -0.06 4.02 -7.23 -1.26 -1.11 120.40 120.73 3jwn s VAL 65 Ca 0.02 -0.62 -0.29 0.00 -1.81 0.00 0.00 61.98 59.28 3jwn s VAL 65 Cb -0.18 -3.04 0.10 0.00 0.56 0.00 0.00 36.38 33.81 3jwn s VAL 65 CO 0.05 0.28 0.83 -0.83 -0.31 0.00 0.00 175.10 175.12 3jwn s GLY 66 N -1.89 -0.45 0.03 2.32 0.00 -0.93 -4.80 107.32 101.60 3jwn s GLY 66 Ca 0.24 1.42 0.04 0.00 0.00 0.00 0.00 44.72 46.41 3jwn s GLY 66 CO 0.15 0.76 -0.07 -1.36 0.00 0.00 0.00 173.10 172.59 3jwn s PHE 67 N -1.86 2.87 0.05 1.90 0.08 -1.26 -0.48 117.98 119.28 3jwn s PHE 67 Ca -0.03 -0.06 -0.02 0.00 0.12 0.00 0.00 56.93 56.95 3jwn s PHE 67 Cb -0.00 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.84 3jwn s PHE 67 CO 0.00 0.39 -0.01 0.95 -0.10 0.00 0.00 175.22 176.46 3jwn s THR 68 N -1.06 0.19 -3.56 0.64 -4.23 0.00 -1.75 115.64 105.87 3jwn s THR 68 Ca 0.19 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 3jwn s THR 68 Cb -0.11 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.48 3jwn s THR 68 CO 0.09 -0.87 0.00 0.61 -0.54 0.00 0.00 174.62 173.92 3jwn n GLY 69 N 0.40 -1.80 3.59 3.99 0.00 -1.26 -0.47 105.19 109.65 3jwn n GLY 69 Ca -0.16 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 3jwn n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jwn s VAL 70 N -2.58 3.93 0.83 1.61 1.01 -1.26 -4.85 120.40 119.09 3jwn s VAL 70 Ca 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 3jwn s VAL 70 Cb 0.00 -4.38 0.09 0.00 0.00 0.00 0.00 36.38 32.09 3jwn s VAL 70 CO 0.00 -0.96 1.09 0.00 0.00 0.00 0.00 175.10 175.23 3jwn s ALA 71 N 5.40 1.96 0.15 5.51 0.00 -1.26 -0.75 121.76 132.77 3jwn s ALA 71 Ca 0.55 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 3jwn s ALA 71 Cb -0.11 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 3jwn s ALA 71 CO 0.30 -1.99 0.97 0.34 0.00 0.00 0.00 175.76 175.38 3jwn s ASP 72 N -3.56 7.52 0.54 0.00 -1.08 0.06 -4.17 116.67 115.98 3jwn s ASP 72 Ca 0.62 1.86 0.25 0.00 -0.52 0.00 0.00 52.55 54.76 3jwn s ASP 72 Cb -0.17 -2.60 1.51 0.00 -1.46 0.00 0.00 42.92 40.21 3jwn s ASP 72 CO 0.56 -0.02 2.14 0.77 0.52 0.00 0.00 175.17 179.14 3jwn h SER 73 N 5.17 0.00 0.03 -0.34 4.64 -1.95 -3.07 113.55 118.04 3jwn h SER 73 Ca -0.44 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.61 3jwn h SER 73 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 3jwn h SER 73 CO 0.71 0.07 -1.49 1.41 -0.87 0.00 0.00 176.83 176.66 3jwn n HIS 74 N -3.92 1.05 -4.14 4.77 8.25 -1.26 -4.87 115.22 115.10 3jwn n HIS 74 Ca -0.02 0.38 -0.34 0.00 -0.26 0.00 0.00 57.72 57.48 3jwn n HIS 74 Cb 0.16 -1.11 -0.15 0.00 1.12 0.00 0.00 29.99 30.01 3jwn n HIS 74 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3jwn s ASN 75 N -6.92 3.75 0.26 0.41 3.84 -1.16 -5.02 114.94 110.09 3jwn s ASN 75 Ca -0.28 -0.50 -0.04 0.00 0.21 0.00 0.00 52.86 52.26 3jwn s ASN 75 Cb 0.06 -1.61 0.33 0.00 -0.55 0.00 0.00 41.25 39.49 3jwn s ASN 75 CO 0.63 0.02 1.90 0.00 -2.79 0.00 0.00 177.10 176.86 3jwn h ALA 76 N 7.83 1.33 0.00 1.71 0.00 -1.90 -2.89 119.26 125.35 3jwn h ALA 76 Ca -0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3jwn h ALA 76 Cb 1.16 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3jwn h ALA 76 CO 0.61 0.54 -0.30 0.09 0.00 0.00 0.00 179.25 180.19 3jwn n ASN 77 N -4.45 0.56 -4.76 0.00 4.13 -1.26 -4.44 115.26 105.03 3jwn n ASN 77 Ca 0.14 0.26 -0.40 0.00 1.68 0.00 0.00 54.58 56.25 3jwn n ASN 77 Cb 0.10 -0.22 -0.06 0.00 -1.54 0.00 0.00 39.78 38.06 3jwn n ASN 77 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3jwn s LEU 78 N -3.85 4.62 -0.25 3.41 1.43 -1.11 -4.28 118.68 118.66 3jwn s LEU 78 Ca 0.10 1.81 -0.27 0.00 -1.03 0.00 0.00 54.13 54.73 3jwn s LEU 78 Cb 0.15 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.91 3jwn s LEU 78 CO 0.64 0.17 0.95 -0.22 0.23 0.00 0.00 176.35 178.13 3jwn s LEU 79 N -1.11 4.07 0.36 1.79 2.96 0.43 -0.76 118.68 126.43 3jwn s LEU 79 Ca 0.39 1.17 -0.28 0.00 -0.22 0.00 0.00 54.13 55.19 3jwn s LEU 79 Cb -0.25 -3.39 -0.11 0.00 0.50 0.00 0.00 46.19 42.95 3jwn s LEU 79 CO 0.29 -0.64 1.46 0.00 -1.32 0.00 0.00 176.35 176.14 3jwn s ALA 80 N 3.11 3.57 1.20 5.97 0.00 0.07 -1.01 121.76 134.67 3jwn s ALA 80 Ca 0.40 1.51 -0.19 0.00 0.00 0.00 0.00 51.96 53.68 3jwn s ALA 80 Cb -0.15 -3.58 0.29 0.00 0.00 0.00 0.00 23.12 19.68 3jwn s ALA 80 CO 0.08 -0.96 1.12 -0.51 0.00 0.00 0.00 175.76 175.49 3jwn s LEU 81 N -1.91 0.76 0.38 0.00 1.43 -1.26 -4.84 118.68 113.25 3jwn s LEU 81 Ca 0.53 0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 53.94 3jwn s LEU 81 Cb -0.45 -2.31 -0.09 0.00 0.03 0.00 0.00 46.19 43.37 3jwn s LEU 81 CO 0.60 -4.10 1.27 -1.61 0.23 0.00 0.00 176.35 172.73 3jwn s GLU 82 N -5.46 4.12 -0.59 1.70 2.02 -0.83 -5.00 118.70 114.67 3jwn s GLU 82 Ca 0.71 2.09 -0.08 0.00 0.02 0.00 0.00 54.97 57.72 3jwn s GLU 82 Cb -0.09 -2.84 0.15 0.00 0.10 0.00 0.00 34.13 31.45 3jwn s GLU 82 CO 0.56 -0.34 0.45 1.21 0.02 0.00 0.00 175.26 177.15 3jwn s ASN 83 N -0.76 5.73 0.33 -0.19 3.84 -1.26 -4.72 114.94 117.92 3jwn s ASN 83 Ca 0.54 -2.37 0.06 0.00 0.21 0.00 0.00 52.86 51.30 3jwn s ASN 83 Cb -0.37 -1.99 -0.03 0.00 -0.55 0.00 0.00 41.25 38.31 3jwn s ASN 83 CO 0.47 -0.56 0.25 0.42 -2.79 0.00 0.00 177.10 174.89 3jwn s THR 84 N 0.66 0.08 0.29 -5.21 -4.23 -1.26 -5.02 115.64 100.95 3jwn s THR 84 Ca 0.12 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 3jwn s THR 84 Cb -0.21 -2.48 0.08 0.00 1.34 0.00 0.00 72.50 71.23 3jwn s THR 84 CO -0.03 0.00 1.75 1.62 -0.54 0.00 0.00 174.62 177.42 3jwn h VAL 85 N 2.13 1.26 -0.22 2.29 3.04 -1.99 -2.71 116.25 120.04 3jwn h VAL 85 Ca -0.27 -1.20 -0.06 0.00 -1.01 0.00 0.00 66.70 64.16 3jwn h VAL 85 Cb 1.24 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.82 3jwn h VAL 85 CO 0.40 0.38 -0.13 0.28 -1.01 0.00 0.00 177.57 177.49 3jwn h SER 86 N 0.41 0.34 -4.26 3.17 0.02 -1.97 -3.47 113.55 107.80 3jwn h SER 86 Ca 0.06 -0.08 -0.51 0.00 -0.84 0.00 0.00 61.79 60.42 3jwn h SER 86 Cb 0.62 -0.09 0.17 0.00 0.14 0.00 0.00 62.40 63.24 3jwn h SER 86 CO 0.04 0.51 0.26 0.00 -1.14 0.00 0.00 176.83 176.50 3jwn s ALA 87 N -4.72 1.74 0.97 3.77 0.00 -1.03 0.14 121.76 122.63 3jwn s ALA 87 Ca -0.06 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 3jwn s ALA 87 Cb 0.15 -3.37 0.19 0.00 0.00 0.00 0.00 23.12 20.09 3jwn s ALA 87 CO 0.75 -2.38 1.11 0.00 0.00 0.00 0.00 175.76 175.24 3jwn n ALA 88 N -3.96 -1.19 -2.22 0.00 0.00 -0.17 -4.10 120.51 108.88 3jwn n ALA 88 Ca 0.10 -1.50 -0.13 0.00 0.00 0.00 0.00 53.44 51.92 3jwn n ALA 88 Cb 0.53 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 3jwn n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jwn s ALA 89 N -3.90 1.25 -1.47 0.00 0.00 -1.25 -4.91 121.76 111.48 3jwn s ALA 89 Ca 0.64 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 3jwn s ALA 89 Cb -0.02 1.11 0.06 0.00 0.00 0.00 0.00 23.12 24.27 3jwn s ALA 89 CO 0.45 -0.51 1.06 0.41 0.00 0.00 0.00 175.76 177.17 3jwn n GLY 90 N -0.28 -0.52 3.37 0.00 0.00 -1.26 -3.67 105.19 102.84 3jwn n GLY 90 Ca -0.01 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 3jwn n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwn s LEU 91 N -7.30 -0.25 -0.05 0.99 1.43 -1.26 -2.08 118.68 110.16 3jwn s LEU 91 Ca 0.64 1.04 0.05 0.00 -1.03 0.00 0.00 54.13 54.83 3jwn s LEU 91 Cb -0.31 1.62 -0.01 0.00 0.03 0.00 0.00 46.19 47.52 3jwn s LEU 91 CO 0.79 -0.20 -0.20 -0.83 0.23 0.00 0.00 176.35 176.14 3jwn s GLY 92 N 1.30 1.09 0.05 -3.19 0.00 -0.73 -4.29 107.32 101.55 3jwn s GLY 92 Ca -0.08 -0.84 -0.31 0.00 0.00 0.00 0.00 44.72 43.49 3jwn s GLY 92 CO -0.13 -0.46 1.52 -0.42 0.00 0.00 0.00 173.10 173.62 3jwn s ILE 93 N -0.01 3.32 -0.13 0.90 1.01 -0.18 -2.14 121.20 123.96 3jwn s ILE 93 Ca -0.05 0.78 -0.07 0.00 0.00 0.00 0.00 60.65 61.31 3jwn s ILE 93 Cb -0.13 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3jwn s ILE 93 CO 0.03 0.01 0.11 -1.58 0.00 0.00 0.00 174.94 173.51 3jwn s GLN 94 N 2.30 3.56 -0.26 2.79 0.74 0.15 -0.43 119.66 128.51 3jwn s GLN 94 Ca 0.69 -0.20 -0.07 0.00 0.05 0.00 0.00 55.36 55.82 3jwn s GLN 94 Cb -0.36 -3.18 -0.02 0.00 1.10 0.00 0.00 33.01 30.54 3jwn s GLN 94 CO 0.30 0.64 0.07 -0.51 -0.55 0.00 0.00 175.29 175.24 3jwn s LEU 95 N -0.65 3.51 -0.07 3.68 1.43 -1.26 -2.45 118.68 122.88 3jwn s LEU 95 Ca 0.13 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3jwn s LEU 95 Cb -0.12 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3jwn s LEU 95 CO 0.02 -0.06 -0.12 -0.76 0.23 0.00 0.00 176.35 175.67 3jwn s LEU 96 N 1.60 2.86 0.00 1.79 1.43 -0.26 -1.10 118.68 125.00 3jwn s LEU 96 Ca 0.06 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3jwn s LEU 96 Cb -0.15 -1.61 0.04 0.00 0.03 0.00 0.00 46.19 44.50 3jwn s LEU 96 CO 0.04 0.31 0.17 -0.46 0.23 0.00 0.00 176.35 176.64 3jwn n ASN 97 N 2.53 -0.54 -0.06 2.29 6.94 0.05 -0.39 115.26 126.07 3jwn n ASN 97 Ca -0.18 -0.84 0.02 0.00 -0.02 0.00 0.00 54.58 53.56 3jwn n ASN 97 Cb 0.52 -0.14 0.34 0.00 -2.36 0.00 0.00 39.78 38.14 3jwn n ASN 97 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3jwn h GLU 98 N 0.00 0.67 -1.22 -3.83 4.81 -1.88 -2.44 114.58 110.69 3jwn h GLU 98 Ca -0.06 -0.06 -0.40 0.00 -0.13 0.00 0.00 59.36 58.70 3jwn h GLU 98 Cb 0.17 -0.14 -0.19 0.00 0.63 0.00 0.00 28.75 29.22 3jwn h GLU 98 CO 0.04 0.50 0.52 1.04 -0.73 0.00 0.00 179.01 180.38 3jwn n GLN 99 N -4.41 1.99 -3.65 1.92 6.02 -1.26 -4.89 117.38 113.10 3jwn n GLN 99 Ca 0.04 -2.06 -0.22 0.00 -0.01 0.00 0.00 57.00 54.75 3jwn n GLN 99 Cb 0.10 -1.81 -0.06 0.00 1.02 0.00 0.00 30.24 29.49 3jwn n GLN 99 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3jwn n GLN 100 N -0.25 -0.92 -4.20 -1.09 7.27 -0.92 -4.96 117.38 112.30 3jwn n GLN 100 Ca 0.40 0.07 -0.28 0.00 0.07 0.00 0.00 57.00 57.26 3jwn n GLN 100 Cb 0.85 -2.53 -0.08 0.00 2.41 0.00 0.00 30.24 30.88 3jwn n GLN 100 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 3jwn s ASN 101 N -3.55 4.70 0.40 1.69 0.01 -1.26 -4.90 114.94 112.02 3jwn s ASN 101 Ca 0.14 -0.38 -0.25 0.00 -0.71 0.00 0.00 52.86 51.66 3jwn s ASN 101 Cb -0.08 -0.99 -0.08 0.00 0.41 0.00 0.00 41.25 40.51 3jwn s ASN 101 CO 0.66 0.12 1.15 -1.58 -1.51 0.00 0.00 177.10 175.94 3jwn s GLN 102 N -2.71 4.07 -0.20 -0.60 0.74 -1.26 -0.77 119.66 118.93 3jwn s GLN 102 Ca 0.26 1.79 -0.15 0.00 0.05 0.00 0.00 55.36 57.31 3jwn s GLN 102 Cb -0.10 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 3jwn s GLN 102 CO 0.17 -0.29 0.38 0.42 -0.55 0.00 0.00 175.29 175.42 3jwn s ILE 103 N -1.44 5.22 -0.70 -2.34 1.01 -0.26 -4.81 121.20 117.88 3jwn s ILE 103 Ca 0.57 0.67 -0.26 0.00 0.00 0.00 0.00 60.65 61.63 3jwn s ILE 103 Cb -0.29 -3.71 -0.07 0.00 0.01 0.00 0.00 42.46 38.39 3jwn s ILE 103 CO 0.37 0.27 2.18 -2.84 0.00 0.00 0.00 174.94 174.92 3jwn s PRO 104 N 1.18 2.18 0.34 2.79 0.02 -1.26 -4.84 135.00 135.40 3jwn s PRO 104 Ca 0.18 0.57 -0.28 0.00 0.02 0.00 0.00 61.00 61.49 3jwn s PRO 104 Cb -0.14 -4.71 -0.12 0.00 0.02 0.00 0.00 34.50 29.54 3jwn s PRO 104 CO 0.07 -3.52 1.28 -0.11 -0.33 0.00 0.00 177.00 174.40 3jwn n LEU 105 N 15.54 3.46 -2.83 -5.54 7.94 -1.26 -2.64 117.00 131.67 3jwn n LEU 105 Ca 0.37 1.20 -0.20 0.00 -1.11 0.00 0.00 56.01 56.27 3jwn n LEU 105 Cb 0.49 -1.47 0.01 0.00 0.53 0.00 0.00 43.42 42.97 3jwn n LEU 105 CO 0.64 -0.52 -0.10 0.59 -1.11 0.00 0.00 177.39 176.88 3jwn n ASN 106 N 0.84 -5.01 -4.82 1.96 3.02 -0.72 -4.83 115.26 105.71 3jwn n ASN 106 Ca 0.05 -0.14 -0.33 0.00 -0.03 0.00 0.00 54.58 54.14 3jwn n ASN 106 Cb 0.36 -4.13 -0.03 0.00 -0.61 0.00 0.00 39.78 35.37 3jwn n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwn s ALA 107 N -2.96 2.92 0.78 5.41 0.00 -1.08 -5.06 121.76 121.77 3jwn s ALA 107 Ca 0.19 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.41 3jwn s ALA 107 Cb -0.09 -3.19 0.06 0.00 0.00 0.00 0.00 23.12 19.90 3jwn s ALA 107 CO 0.23 -0.38 1.09 -1.25 0.00 0.00 0.00 175.76 175.45 3jwn s PRO 108 N -3.76 2.19 0.55 0.00 0.04 -1.26 -4.94 135.00 127.81 3jwn s PRO 108 Ca 0.63 0.78 0.32 0.00 0.04 0.00 0.00 61.00 62.77 3jwn s PRO 108 Cb -0.13 -1.92 1.55 0.00 0.04 0.00 0.00 34.50 34.04 3jwn s PRO 108 CO 0.28 -1.58 2.08 0.77 0.04 0.00 0.00 177.00 178.58 3jwn h SER 109 N -1.07 0.00 -0.05 6.66 0.02 -1.97 -1.93 113.55 115.22 3jwn h SER 109 Ca -0.46 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.31 3jwn h SER 109 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 3jwn h SER 109 CO 0.57 0.08 -0.59 0.77 -1.14 0.00 0.00 176.83 176.52 3jwn h SER 110 N 0.00 0.73 -0.44 3.07 4.64 -2.04 -3.25 113.55 116.27 3jwn h SER 110 Ca -0.00 -0.41 -0.06 0.00 -0.47 0.00 0.00 61.79 60.85 3jwn h SER 110 Cb 0.37 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 3jwn h SER 110 CO 0.01 1.16 0.06 0.00 -0.87 0.00 0.00 176.83 177.19 3jwn h ALA 111 N 0.85 1.16 -2.39 5.18 0.00 -1.73 -3.45 119.26 118.88 3jwn h ALA 111 Ca -0.00 -0.23 -0.49 0.00 0.00 0.00 0.00 54.91 54.18 3jwn h ALA 111 Cb 1.16 -0.21 0.06 0.00 0.00 0.00 0.00 17.79 18.81 3jwn h ALA 111 CO 0.12 0.56 0.39 -0.51 0.00 0.00 0.00 179.25 179.80 3jwn s LEU 112 N -9.25 3.59 0.31 0.00 1.43 -1.12 -5.05 118.68 108.59 3jwn s LEU 112 Ca -0.10 1.92 0.08 0.00 -1.03 0.00 0.00 54.13 55.00 3jwn s LEU 112 Cb 0.15 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 3jwn s LEU 112 CO 0.81 -1.17 0.15 -0.44 0.23 0.00 0.00 176.35 175.93 3jwn s SER 113 N -2.45 4.90 -0.28 2.29 0.01 -1.26 -5.00 113.70 111.91 3jwn s SER 113 Ca 0.66 -0.61 -0.28 0.00 1.31 0.00 0.00 55.95 57.03 3jwn s SER 113 Cb -0.18 -0.90 0.01 0.00 0.21 0.00 0.00 66.02 65.16 3jwn s SER 113 CO 0.33 -0.21 1.00 0.26 0.41 0.00 0.00 173.24 175.03 3jwn s TRP 114 N -2.34 3.24 -0.32 2.43 0.52 -1.26 -4.26 118.94 116.96 3jwn s TRP 114 Ca 0.36 1.24 -0.25 0.00 0.02 0.00 0.00 56.10 57.47 3jwn s TRP 114 Cb -0.05 -3.41 0.01 0.00 -1.15 0.00 0.00 33.47 28.87 3jwn s TRP 114 CO 0.23 -0.60 0.89 0.99 0.02 0.00 0.00 176.95 178.49 3jwn s THR 115 N 3.32 4.68 0.23 2.01 2.01 0.77 -4.89 115.64 123.77 3jwn s THR 115 Ca 0.42 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.48 3jwn s THR 115 Cb -0.14 -4.25 -0.09 0.00 0.01 0.00 0.00 72.50 68.03 3jwn s THR 115 CO 0.11 -0.36 1.11 0.42 -0.69 0.00 0.00 174.62 175.21 3jwn s THR 116 N 3.23 3.65 0.26 -0.82 -4.23 -1.26 -1.11 115.64 115.35 3jwn s THR 116 Ca 0.37 1.52 0.11 0.00 -1.18 0.00 0.00 61.69 62.51 3jwn s THR 116 Cb -0.13 -3.97 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 3jwn s THR 116 CO 0.14 0.31 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.59 3jwn s LEU 117 N -0.85 2.66 -0.39 4.79 1.43 -0.39 -4.91 118.68 121.02 3jwn s LEU 117 Ca 0.48 -0.93 -0.20 0.00 -1.03 0.00 0.00 54.13 52.44 3jwn s LEU 117 Cb -0.31 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.70 3jwn s LEU 117 CO 0.38 0.05 0.62 -0.89 0.23 0.00 0.00 176.35 176.74 3jwn s THR 118 N -2.31 4.88 0.28 5.49 2.01 -1.26 -4.53 115.64 120.20 3jwn s THR 118 Ca 0.28 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 3jwn s THR 118 Cb -0.06 -4.11 -0.12 0.00 0.01 0.00 0.00 72.50 68.22 3jwn s THR 118 CO 0.15 -0.41 1.55 -2.65 -0.69 0.00 0.00 174.62 172.56 3jwn n PRO 119 N 6.09 2.51 0.00 4.92 -0.02 -1.24 -2.98 135.00 144.28 3jwn n PRO 119 Ca -0.02 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3jwn n PRO 119 Cb 0.48 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3jwn n PRO 119 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jwn n GLY 120 N 2.20 1.93 3.74 -1.23 0.00 -1.18 -4.97 105.19 105.68 3jwn n GLY 120 Ca 0.10 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3jwn n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jwn s LYS 121 N 0.00 2.02 0.51 1.61 -0.14 -1.16 -4.23 119.74 118.34 3jwn s LYS 121 Ca 0.00 1.38 -0.20 0.00 -1.36 0.00 0.00 55.97 55.79 3jwn s LYS 121 Cb 0.00 -1.85 -0.08 0.00 -1.68 0.00 0.00 37.83 34.22 3jwn s LYS 121 CO 0.00 -1.86 1.07 -1.25 -0.76 0.00 0.00 175.35 172.55 3jwn s PRO 122 N -4.57 3.64 -0.03 -1.68 0.04 -1.26 -4.55 135.00 126.60 3jwn s PRO 122 Ca 0.65 1.45 0.03 0.00 0.04 0.00 0.00 61.00 63.17 3jwn s PRO 122 Cb -0.21 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 3jwn s PRO 122 CO 0.53 -0.58 -0.12 -0.80 0.04 0.00 0.00 177.00 176.07 3jwn s ASN 123 N -1.91 1.47 -0.18 6.66 0.01 0.00 -4.92 114.94 116.07 3jwn s ASN 123 Ca 0.69 -0.23 -0.02 0.00 -0.71 0.00 0.00 52.86 52.60 3jwn s ASN 123 Cb -0.19 -0.34 -0.01 0.00 0.41 0.00 0.00 41.25 41.13 3jwn s ASN 123 CO 0.22 0.11 -0.10 -0.89 -1.51 0.00 0.00 177.10 174.93 3jwn s THR 124 N 0.04 3.05 -0.23 1.60 2.01 -1.26 0.24 115.64 121.09 3jwn s THR 124 Ca -0.01 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.27 3jwn s THR 124 Cb -0.08 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 3jwn s THR 124 CO 0.01 0.48 0.11 -0.76 -0.69 0.00 0.00 174.62 173.77 3jwn s LEU 125 N 0.97 3.85 -0.13 4.42 1.43 -0.23 -4.97 118.68 124.03 3jwn s LEU 125 Ca -0.01 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3jwn s LEU 125 Cb -0.15 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3jwn s LEU 125 CO -0.01 0.07 0.04 0.20 0.23 0.00 0.00 176.35 176.88 3jwn s ASN 126 N 1.04 5.53 0.13 2.29 0.01 -1.26 -0.59 114.94 122.09 3jwn s ASN 126 Ca 0.06 0.15 -0.03 0.00 -0.71 0.00 0.00 52.86 52.32 3jwn s ASN 126 Cb -0.14 -1.79 -0.03 0.00 0.41 0.00 0.00 41.25 39.71 3jwn s ASN 126 CO 0.04 0.29 0.11 -0.36 -1.51 0.00 0.00 177.10 175.67 3jwn s PHE 127 N -0.32 0.67 0.11 2.20 0.08 -0.25 -3.24 117.98 117.23 3jwn s PHE 127 Ca 0.08 -1.06 0.06 0.00 0.12 0.00 0.00 56.93 56.13 3jwn s PHE 127 Cb -0.12 -0.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.96 3jwn s PHE 127 CO 0.02 -0.56 -0.16 0.71 -0.10 0.00 0.00 175.22 175.13 3jwn s TYR 128 N -4.01 1.48 -0.10 0.36 2.02 0.47 -0.61 117.35 116.97 3jwn s TYR 128 Ca 0.20 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3jwn s TYR 128 Cb 0.06 -0.79 0.03 0.00 -0.40 0.00 0.00 41.96 40.86 3jwn s TYR 128 CO -0.00 0.16 -0.03 0.00 -1.57 0.00 0.00 175.55 174.11 3jwn s ALA 129 N -1.72 0.98 0.42 3.71 0.00 0.84 -1.10 121.76 124.89 3jwn s ALA 129 Ca 0.06 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.71 3jwn s ALA 129 Cb -0.07 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3jwn s ALA 129 CO 0.03 -0.51 0.15 -0.98 0.00 0.00 0.00 175.76 174.45 3jwn s ARG 130 N 1.85 1.99 -0.10 0.00 1.70 -1.02 -1.32 118.95 122.05 3jwn s ARG 130 Ca 0.04 -2.23 -0.01 0.00 -0.47 0.00 0.00 55.73 53.06 3jwn s ARG 130 Cb -0.13 -0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 33.67 3jwn s ARG 130 CO -0.07 -0.54 -0.04 -0.51 -1.08 0.00 0.00 175.30 173.07 3jwn s LEU 131 N -3.63 3.29 -0.07 -1.89 1.43 -1.26 -0.68 118.68 115.87 3jwn s LEU 131 Ca 0.22 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3jwn s LEU 131 Cb 0.01 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3jwn s LEU 131 CO 0.15 0.29 -0.15 -0.32 0.23 0.00 0.00 176.35 176.55 3jwn s MET 132 N -0.38 2.00 0.29 1.70 -2.45 -0.91 -3.44 119.30 116.11 3jwn s MET 132 Ca 0.06 -0.53 -0.29 0.00 -1.25 0.00 0.00 55.69 53.68 3jwn s MET 132 Cb -0.12 -1.61 -0.10 0.00 1.25 0.00 0.00 34.83 34.25 3jwn s MET 132 CO 0.02 0.08 1.23 0.00 1.05 0.00 0.00 175.02 177.41 3jwn s ALA 133 N 0.53 3.47 -0.12 4.11 0.00 -1.26 -1.77 121.76 126.72 3jwn s ALA 133 Ca -0.14 1.11 0.03 0.00 0.00 0.00 0.00 51.96 52.95 3jwn s ALA 133 Cb -0.16 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 3jwn s ALA 133 CO 0.05 -0.46 0.11 0.25 0.00 0.00 0.00 175.76 175.71 3jwn n THR 134 N 1.24 0.00 -3.84 0.00 -2.24 -0.88 -4.39 114.28 104.17 3jwn n THR 134 Ca 0.01 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 3jwn n THR 134 Cb 0.43 0.98 -0.12 0.00 -2.10 0.00 0.00 70.33 69.51 3jwn n THR 134 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3jwn s GLN 135 N -1.28 0.21 -0.24 -0.78 -0.21 -1.24 -4.97 119.66 111.14 3jwn s GLN 135 Ca 0.01 0.06 -0.07 0.00 0.02 0.00 0.00 55.36 55.38 3jwn s GLN 135 Cb 0.02 0.09 -0.03 0.00 1.00 0.00 0.00 33.01 34.10 3jwn s GLN 135 CO 0.11 -0.03 0.06 0.08 -2.12 0.00 0.00 175.29 173.38 3jwn s VAL 136 N -0.21 4.25 0.36 1.09 1.01 -1.26 -3.10 120.40 122.54 3jwn s VAL 136 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 3jwn s VAL 136 Cb -0.02 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3jwn s VAL 136 CO 0.00 0.35 0.59 -2.16 0.00 0.00 0.00 175.10 173.89 3jwn s PRO 137 N 1.52 3.52 0.60 2.72 0.04 -1.26 -5.15 135.00 137.00 3jwn s PRO 137 Ca 0.06 -0.18 -0.15 0.00 0.04 0.00 0.00 61.00 60.77 3jwn s PRO 137 Cb -0.15 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 3jwn s PRO 137 CO 0.03 0.09 1.06 0.08 0.04 0.00 0.00 177.00 178.30 3jwn s VAL 138 N -2.36 3.81 0.28 -0.36 1.01 -1.18 -4.75 120.40 116.85 3jwn s VAL 138 Ca 0.42 0.84 0.08 0.00 0.00 0.00 0.00 61.98 63.32 3jwn s VAL 138 Cb -0.10 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 3jwn s VAL 138 CO 0.37 -0.52 -0.10 0.42 0.00 0.00 0.00 175.10 175.26 3jwn s THR 139 N -2.48 1.90 0.29 3.92 -4.23 -1.24 -4.93 115.64 108.87 3jwn s THR 139 Ca 0.63 -2.20 -0.29 0.00 -1.18 0.00 0.00 61.69 58.65 3jwn s THR 139 Cb -0.16 -2.39 -0.10 0.00 1.34 0.00 0.00 72.50 71.20 3jwn s THR 139 CO 0.38 -0.35 1.15 0.00 -0.54 0.00 0.00 174.62 175.25 3jwn s ALA 140 N -2.85 3.42 0.00 3.99 0.00 -1.26 -3.90 121.76 121.16 3jwn s ALA 140 Ca 0.29 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3jwn s ALA 140 Cb 0.01 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3jwn s ALA 140 CO 0.12 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3jwn n GLY 141 N 1.09 -0.67 3.79 0.00 0.00 -1.26 -4.59 105.19 103.55 3jwn n GLY 141 Ca -0.01 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 3jwn n GLY 141 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jwn s HIS 142 N -2.00 3.09 -0.53 1.61 3.76 0.36 -4.13 115.29 117.45 3jwn s HIS 142 Ca 0.00 1.60 0.07 0.00 -0.15 0.00 0.00 55.06 56.57 3jwn s HIS 142 Cb 0.00 -3.07 0.24 0.00 1.11 0.00 0.00 32.58 30.85 3jwn s HIS 142 CO 0.00 -0.74 0.60 -0.89 -0.85 0.00 0.00 174.74 172.87 3jwn n ILE 143 N -0.70 0.81 -4.07 0.60 5.41 -1.26 -1.00 119.36 119.16 3jwn n ILE 143 Ca 0.08 -4.57 -0.25 0.00 1.00 0.00 0.00 62.75 59.01 3jwn n ILE 143 Cb 0.52 -2.02 -0.05 0.00 -0.71 0.00 0.00 39.64 37.38 3jwn n ILE 143 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3jwn s ASN 144 N -1.68 5.66 0.23 4.38 -0.87 -1.26 -4.91 114.94 116.49 3jwn s ASN 144 Ca 0.36 -0.12 -0.17 0.00 -1.57 0.00 0.00 52.86 51.36 3jwn s ASN 144 Cb 0.13 -1.51 0.06 0.00 -0.02 0.00 0.00 41.25 39.92 3jwn s ASN 144 CO -0.08 0.03 0.86 0.00 -2.57 0.00 0.00 177.10 175.34 3jwn n ALA 145 N -0.66 -2.16 -3.64 0.60 0.00 -1.26 -1.96 120.51 111.44 3jwn n ALA 145 Ca -0.08 -1.01 -0.09 0.00 0.00 0.00 0.00 53.44 52.27 3jwn n ALA 145 Cb 0.56 0.66 -0.07 0.00 0.00 0.00 0.00 19.45 20.59 3jwn n ALA 145 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3jwn s THR 146 N -2.13 0.00 0.18 0.00 -1.32 -1.26 -5.05 115.64 106.05 3jwn s THR 146 Ca 0.19 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.66 3jwn s THR 146 Cb -0.03 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 3jwn s THR 146 CO 0.07 0.00 0.09 0.00 -2.21 0.00 0.00 174.62 172.57 3jwn s ALA 147 N 1.15 1.16 -0.20 11.08 0.00 -1.26 -4.69 121.76 129.01 3jwn s ALA 147 Ca -0.06 -1.64 -0.00 0.00 0.00 0.00 0.00 51.96 50.26 3jwn s ALA 147 Cb -0.05 1.10 0.02 0.00 0.00 0.00 0.00 23.12 24.18 3jwn s ALA 147 CO -0.13 -0.51 -0.15 0.99 0.00 0.00 0.00 175.76 175.96 3jwn s THR 148 N -4.02 2.40 0.29 0.00 2.01 0.38 -4.98 115.64 111.72 3jwn s THR 148 Ca 0.33 -0.87 -0.21 0.00 0.31 0.00 0.00 61.69 61.24 3jwn s THR 148 Cb 0.07 -2.06 -0.09 0.00 0.01 0.00 0.00 72.50 70.43 3jwn s THR 148 CO 0.08 0.47 0.82 0.12 -0.69 0.00 0.00 174.62 175.42 3jwn s PHE 149 N 1.33 3.58 -0.08 4.92 2.19 -1.26 -0.82 117.98 127.84 3jwn s PHE 149 Ca 0.04 1.51 -0.00 0.00 0.33 0.00 0.00 56.93 58.81 3jwn s PHE 149 Cb -0.14 -2.72 0.02 0.00 -1.31 0.00 0.00 43.02 38.87 3jwn s PHE 149 CO -0.10 0.21 -0.04 0.99 1.83 0.00 0.00 175.22 178.11 3jwn s THR 150 N -1.69 0.69 -0.29 0.12 2.01 0.36 -4.98 115.64 111.87 3jwn s THR 150 Ca 0.49 -0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.31 3jwn s THR 150 Cb -0.15 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.61 3jwn s THR 150 CO 0.20 0.30 0.07 -0.76 -0.69 0.00 0.00 174.62 173.74 3jwn s LEU 151 N 1.56 3.75 -0.23 4.42 1.43 -1.26 -2.19 118.68 126.16 3jwn s LEU 151 Ca 0.00 -0.66 -0.07 0.00 -1.03 0.00 0.00 54.13 52.37 3jwn s LEU 151 Cb -0.13 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3jwn s LEU 151 CO -0.04 -0.17 0.06 -0.70 0.23 0.00 0.00 176.35 175.73 3jwn s GLU 152 N 1.50 3.72 0.25 1.70 2.12 -0.27 -4.95 118.70 122.77 3jwn s GLU 152 Ca 0.03 -0.46 -0.19 0.00 0.36 0.00 0.00 54.97 54.71 3jwn s GLU 152 Cb -0.17 -3.27 -0.09 0.00 0.26 0.00 0.00 34.13 30.87 3jwn s GLU 152 CO 0.02 -0.07 0.74 0.71 -0.54 0.00 0.00 175.26 176.13 3jwn s TYR 153 N 1.28 3.59 -2.00 5.30 1.51 -1.26 -1.20 117.35 124.57 3jwn s TYR 153 Ca 0.05 1.38 0.20 0.00 -1.01 0.00 0.00 57.07 57.69 3jwn s TYR 153 Cb -0.15 -2.63 1.17 0.00 -0.11 0.00 0.00 41.96 40.25 3jwn s TYR 153 CO 0.03 0.27 1.56 0.94 -1.11 0.00 0.00 175.55 177.24