#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jw3 n LYS 2 N 0.00 0.00 0.00 0.03 0.00 -1.26 -5.04 118.16 111.89 1jw3 n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1jw3 n LYS 2 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 35.03 34.65 1jw3 n LYS 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jw3 n GLY 3 N 1.46 2.19 2.95 2.58 0.00 -1.26 -4.99 105.19 108.12 1jw3 n GLY 3 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1jw3 n GLY 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jw3 s PHE 4 N -2.58 -0.09 0.03 1.61 -0.12 -1.25 -0.28 117.98 115.29 1jw3 s PHE 4 Ca 0.00 0.22 -0.12 0.00 -0.05 0.00 0.00 56.93 56.99 1jw3 s PHE 4 Cb 0.00 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.43 1jw3 s PHE 4 CO 0.00 -0.05 0.25 -1.83 -0.05 0.00 0.00 175.22 173.54 1jw3 s GLU 5 N 0.08 0.71 0.05 1.99 -1.05 0.11 -4.92 118.70 115.68 1jw3 s GLU 5 Ca -0.00 -0.49 0.04 0.00 -0.15 0.00 0.00 54.97 54.37 1jw3 s GLU 5 Cb -0.01 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 1jw3 s GLU 5 CO -0.00 -0.21 -0.04 -0.59 0.95 0.00 0.00 175.26 175.37 1jw3 s PHE 6 N -2.24 2.93 0.05 4.83 -0.71 -1.26 0.15 117.98 121.72 1jw3 s PHE 6 Ca -0.07 -0.04 0.09 0.00 -1.04 0.00 0.00 56.93 55.87 1jw3 s PHE 6 Cb -0.02 -1.56 -0.03 0.00 -1.21 0.00 0.00 43.02 40.20 1jw3 s PHE 6 CO -0.02 0.43 -0.26 -0.59 -1.34 0.00 0.00 175.22 173.45 1jw3 s PHE 7 N -1.16 2.27 0.00 3.49 -0.12 -1.24 -4.84 117.98 116.38 1jw3 s PHE 7 Ca 0.21 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.68 1jw3 s PHE 7 Cb -0.11 -1.35 0.00 0.00 -0.63 0.00 0.00 43.02 40.92 1jw3 s PHE 7 CO 0.13 0.14 0.00 -3.47 -0.05 0.00 0.00 175.22 171.96 1jw3 n ASP 8 N 1.73 -0.42 -4.75 1.98 2.03 -1.26 -4.76 116.55 111.09 1jw3 n ASP 8 Ca -0.17 0.21 -0.30 0.00 0.52 0.00 0.00 54.79 55.05 1jw3 n ASP 8 Cb 0.52 -0.51 -0.07 0.00 -0.72 0.00 0.00 41.12 40.35 1jw3 n ASP 8 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1jw3 s VAL 9 N -1.02 4.39 0.34 5.18 0.11 -1.26 -5.00 120.40 123.15 1jw3 s VAL 9 Ca 0.00 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 1jw3 s VAL 9 Cb 0.00 -3.12 0.28 0.00 -1.53 0.00 0.00 36.38 32.01 1jw3 s VAL 9 CO 0.00 0.10 1.97 0.74 -3.33 0.00 0.00 175.10 174.57 1jw3 h THR 10 N 2.59 1.09 0.00 5.04 2.02 -2.01 -3.42 112.91 118.21 1jw3 h THR 10 Ca -0.47 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1jw3 h THR 10 Cb 1.17 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1jw3 h THR 10 CO 0.64 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.69 1jw3 n ALA 11 N -2.43 0.03 -3.99 6.16 0.00 -1.26 -5.11 120.51 113.91 1jw3 n ALA 11 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 1jw3 n ALA 11 Cb 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.43 1jw3 n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jw3 s ASP 12 N -1.33 2.54 0.19 0.00 1.01 -1.26 -5.07 116.67 112.75 1jw3 s ASP 12 Ca 0.00 -0.43 -0.12 0.00 0.71 0.00 0.00 52.55 52.71 1jw3 s ASP 12 Cb 0.00 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 42.85 1jw3 s ASP 12 CO 0.00 -0.07 0.38 0.00 0.21 0.00 0.00 175.17 175.69 1jw3 s ALA 13 N 1.55 -0.29 0.07 5.23 0.00 -1.26 -3.43 121.76 123.63 1jw3 s ALA 13 Ca 0.05 -0.71 -0.37 0.00 0.00 0.00 0.00 51.96 50.93 1jw3 s ALA 13 Cb -0.13 0.90 -0.18 0.00 0.00 0.00 0.00 23.12 23.71 1jw3 s ALA 13 CO -0.10 -0.73 1.11 0.41 0.00 0.00 0.00 175.76 176.45 1jw3 n GLY 14 N -0.28 -0.16 3.79 0.00 0.00 -1.18 -4.48 105.19 102.88 1jw3 n GLY 14 Ca -0.07 0.67 -0.29 0.00 0.00 0.00 0.00 46.02 46.34 1jw3 n GLY 14 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jw3 s PHE 15 N 0.02 3.19 -0.20 1.61 0.40 -1.17 -3.70 117.98 118.12 1jw3 s PHE 15 Ca 0.84 0.04 -0.05 0.00 -0.60 0.00 0.00 56.93 57.17 1jw3 s PHE 15 Cb -1.09 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 40.84 1jw3 s PHE 15 CO 0.53 0.52 -0.01 -0.46 0.70 0.00 0.00 175.22 176.50 1jw3 s TRP 16 N -1.54 3.01 0.32 0.36 -0.11 0.39 -3.69 118.94 117.67 1jw3 s TRP 16 Ca 0.30 -0.55 0.10 0.00 1.22 0.00 0.00 56.10 57.17 1jw3 s TRP 16 Cb -0.11 -2.08 -0.06 0.00 -1.50 0.00 0.00 33.47 29.72 1jw3 s TRP 16 CO 0.23 -0.29 -0.12 0.00 -4.62 0.00 0.00 176.95 172.15 1jw3 s ALA 17 N 1.05 2.80 0.08 5.86 0.00 -0.70 0.09 121.76 130.93 1jw3 s ALA 17 Ca 0.02 -2.01 0.03 0.00 0.00 0.00 0.00 51.96 50.00 1jw3 s ALA 17 Cb -0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1jw3 s ALA 17 CO 0.01 0.10 -0.09 0.71 0.00 0.00 0.00 175.76 176.50 1jw3 s TYR 18 N -2.66 0.92 0.00 0.00 1.51 0.61 -2.18 117.35 115.56 1jw3 s TYR 18 Ca 0.31 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1jw3 s TYR 18 Cb 0.01 -0.52 0.00 0.00 -0.11 0.00 0.00 41.96 41.34 1jw3 s TYR 18 CO 0.15 -0.05 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 1jw3 n GLY 19 N 0.74 4.30 0.00 0.71 0.00 0.35 -3.14 105.19 108.16 1jw3 n GLY 19 Ca -0.18 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1jw3 n GLY 19 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jw3 n HIS 20 N 0.00 0.00 -2.40 1.61 1.44 -1.26 -4.67 115.22 109.94 1jw3 n HIS 20 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 1jw3 n HIS 20 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1jw3 n HIS 20 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1jw3 n ASP 21 N 0.00 -0.03 0.00 4.39 2.03 -1.26 -4.98 116.55 116.70 1jw3 n ASP 21 Ca 0.00 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.27 1jw3 n ASP 21 Cb 0.00 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1jw3 n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1jw3 n LEU 22 N -0.17 0.00 0.10 -2.67 4.77 -1.26 -4.32 117.00 113.46 1jw3 n LEU 22 Ca -0.10 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.99 1jw3 n LEU 22 Cb 0.89 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 42.58 1jw3 n LEU 22 CO -0.08 0.00 1.13 -0.33 -1.33 0.00 0.00 177.39 176.78 1jw3 h GLU 23 N 0.00 0.14 -0.19 3.23 5.08 -1.95 -2.28 114.58 118.61 1jw3 h GLU 23 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1jw3 h GLU 23 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1jw3 h GLU 23 CO 0.00 0.09 0.04 1.49 -1.00 0.00 0.00 179.01 179.63 1jw3 h GLU 24 N 0.14 0.30 -0.53 2.33 4.57 -1.89 -2.05 114.58 117.46 1jw3 h GLU 24 Ca 0.13 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 1jw3 h GLU 24 Cb 0.33 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1jw3 h GLU 24 CO -0.02 0.44 -0.07 -0.24 -1.18 0.00 0.00 179.01 177.95 1jw3 h VAL 25 N 0.11 1.26 -0.40 0.32 3.04 -1.36 -2.86 116.25 116.36 1jw3 h VAL 25 Ca 0.06 -1.19 -0.06 0.00 -1.01 0.00 0.00 66.70 64.50 1jw3 h VAL 25 Cb 0.28 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1jw3 h VAL 25 CO 0.00 0.42 0.03 -0.26 -1.01 0.00 0.00 177.57 176.75 1jw3 h PHE 26 N 0.86 0.75 -0.94 3.17 -1.00 -1.47 -2.34 116.94 115.97 1jw3 h PHE 26 Ca 0.14 -0.12 0.11 0.00 2.81 0.00 0.00 57.97 60.92 1jw3 h PHE 26 Cb 0.61 -0.20 -0.07 0.00 3.61 0.00 0.00 35.95 39.89 1jw3 h PHE 26 CO 0.04 0.75 0.60 1.49 -1.61 0.00 0.00 178.31 179.58 1jw3 h GLU 27 N 0.53 0.88 0.00 1.51 4.22 -1.28 0.28 114.58 120.72 1jw3 h GLU 27 Ca 0.12 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.43 1jw3 h GLU 27 Cb 0.44 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1jw3 h GLU 27 CO 0.02 0.58 -0.35 -0.91 -2.18 0.00 0.00 179.01 176.16 1jw3 h ASN 28 N 0.91 0.00 -0.27 1.04 2.35 -1.26 -2.81 115.58 115.54 1jw3 h ASN 28 Ca 0.45 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.15 1jw3 h ASN 28 Cb 0.48 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1jw3 h ASN 28 CO -0.21 0.35 -0.01 0.00 -1.65 0.00 0.00 177.43 175.91 1jw3 h ALA 29 N 1.65 1.29 0.00 -0.83 0.00 0.09 -1.69 119.26 119.77 1jw3 h ALA 29 Ca -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1jw3 h ALA 29 Cb 0.78 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1jw3 h ALA 29 CO 0.05 0.48 -0.17 0.00 0.00 0.00 0.00 179.25 179.61 1jw3 h ALA 30 N 1.43 0.98 -0.03 0.00 0.00 -1.21 -3.06 119.26 117.37 1jw3 h ALA 30 Ca 0.12 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1jw3 h ALA 30 Cb 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jw3 h ALA 30 CO 0.01 0.21 -0.73 1.25 0.00 0.00 0.00 179.25 180.00 1jw3 h LEU 31 N 0.00 0.24 -0.13 0.00 7.12 -1.29 -2.98 115.31 118.26 1jw3 h LEU 31 Ca -0.00 -0.16 0.04 0.00 0.13 0.00 0.00 57.88 57.89 1jw3 h LEU 31 Cb 0.80 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.80 1jw3 h LEU 31 CO 0.02 0.88 -0.18 0.00 -0.13 0.00 0.00 178.44 179.04 1jw3 h ALA 32 N 1.11 -0.11 -0.18 1.25 0.00 -1.40 0.84 119.26 120.77 1jw3 h ALA 32 Ca -0.02 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1jw3 h ALA 32 Cb 1.29 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1jw3 h ALA 32 CO 0.11 -0.63 -0.61 1.98 0.00 0.00 0.00 179.25 180.10 1jw3 h MET 33 N -0.22 0.62 -0.24 0.00 1.85 -1.71 -3.26 114.93 111.97 1jw3 h MET 33 Ca 0.10 -0.42 -0.19 0.00 -0.61 0.00 0.00 59.70 58.57 1jw3 h MET 33 Cb 0.36 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.46 1jw3 h MET 33 CO -0.26 1.04 -0.62 0.74 -0.40 0.00 0.00 176.91 177.41 1jw3 h PHE 34 N 0.46 1.05 -0.77 1.39 0.04 -1.32 -3.08 116.94 114.71 1jw3 h PHE 34 Ca -0.01 -0.40 0.18 0.00 2.80 0.00 0.00 57.97 60.54 1jw3 h PHE 34 Cb 1.18 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 39.10 1jw3 h PHE 34 CO 0.05 1.22 0.52 1.49 -0.60 0.00 0.00 178.31 181.00 1jw3 h GLU 35 N 0.61 0.27 -0.01 1.51 4.57 0.65 0.56 114.58 122.75 1jw3 h GLU 35 Ca -0.01 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 1jw3 h GLU 35 Cb 1.22 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 1jw3 h GLU 35 CO 0.13 0.18 -0.65 0.28 -1.18 0.00 0.00 179.01 177.76 1jw3 h VAL 36 N 0.28 1.46 -0.01 0.32 2.07 -1.60 -3.05 116.25 115.71 1jw3 h VAL 36 Ca 0.38 -2.21 -0.19 0.00 0.82 0.00 0.00 66.70 65.50 1jw3 h VAL 36 Cb 1.08 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1jw3 h VAL 36 CO -0.10 0.64 -0.84 0.24 0.02 0.00 0.00 177.57 177.53 1jw3 h MET 37 N 0.03 0.25 0.00 1.57 2.86 0.04 -3.41 114.93 116.26 1jw3 h MET 37 Ca -0.01 -0.25 0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1jw3 h MET 37 Cb 1.16 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 1jw3 h MET 37 CO 0.09 0.95 -0.10 -2.37 1.06 0.00 0.00 176.91 176.53 1jw3 n THR 38 N -3.71 0.00 0.00 2.22 5.66 0.17 -4.81 114.28 113.81 1jw3 n THR 38 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1jw3 n THR 38 Cb 0.78 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.46 1jw3 n THR 38 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1jw3 n ASP 39 N -3.96 0.00 0.25 1.09 2.03 -1.26 -4.82 116.55 109.87 1jw3 n ASP 39 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.45 1jw3 n ASP 39 Cb 0.13 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 41.05 1jw3 n ASP 39 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1jw3 h THR 40 N 0.00 0.25 0.00 5.18 1.35 -1.88 -2.87 112.91 114.94 1jw3 h THR 40 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1jw3 h THR 40 Cb 0.00 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1jw3 h THR 40 CO 0.00 0.10 0.00 -0.24 -0.25 0.00 0.00 175.52 175.13 1jw3 n SER 41 N -3.22 0.00 -0.09 5.36 2.88 -1.26 -2.09 113.62 115.20 1jw3 n SER 41 Ca 0.01 -0.17 0.04 0.00 -1.33 0.00 0.00 58.87 57.42 1jw3 n SER 41 Cb 0.39 -0.15 0.06 0.00 -0.75 0.00 0.00 64.21 63.76 1jw3 n SER 41 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jw3 n LEU 42 N -1.15 1.72 -4.29 2.46 4.32 -1.08 -5.03 117.00 113.95 1jw3 n LEU 42 Ca 0.09 -2.15 -0.32 0.00 -0.02 0.00 0.00 56.01 53.60 1jw3 n LEU 42 Cb 0.08 -0.18 -0.16 0.00 -1.62 0.00 0.00 43.42 41.54 1jw3 n LEU 42 CO 0.09 0.51 -0.55 -0.69 -1.22 0.00 0.00 177.39 175.54 1jw3 s VAL 43 N -1.59 2.22 0.00 4.08 1.01 -0.89 -5.08 120.40 120.15 1jw3 s VAL 43 Ca 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1jw3 s VAL 43 Cb 0.12 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1jw3 s VAL 43 CO 0.01 0.57 0.03 -0.62 0.00 0.00 0.00 175.10 175.09 1jw3 n GLU 44 N 2.96 0.00 0.00 2.72 1.02 -1.26 -5.00 120.64 121.08 1jw3 n GLU 44 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1jw3 n GLU 44 Cb 0.52 -0.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.46 1jw3 n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jw3 n ALA 45 N -0.73 0.00 -0.08 0.62 0.00 -1.26 -4.87 120.51 114.19 1jw3 n ALA 45 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1jw3 n ALA 45 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1jw3 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jw3 h ALA 46 N 0.00 0.07 -3.96 0.00 0.00 -1.85 -3.44 119.26 110.07 1jw3 h ALA 46 Ca 0.00 -0.62 -0.43 0.00 0.00 0.00 0.00 54.91 53.86 1jw3 h ALA 46 Cb 0.00 0.44 -0.27 0.00 0.00 0.00 0.00 17.79 17.96 1jw3 h ALA 46 CO 0.00 0.43 -0.79 -1.21 0.00 0.00 0.00 179.25 177.68 1jw3 s GLU 47 N -2.16 0.90 -0.16 0.00 0.41 -1.26 -4.79 118.70 111.64 1jw3 s GLU 47 Ca -0.17 -0.52 0.02 0.00 -0.41 0.00 0.00 54.97 53.89 1jw3 s GLU 47 Cb 0.02 -0.87 0.02 0.00 -1.78 0.00 0.00 34.13 31.51 1jw3 s GLU 47 CO 0.33 0.23 -0.21 -2.00 -0.49 0.00 0.00 175.26 173.12 1jw3 s GLU 48 N -0.58 2.95 0.04 1.61 2.12 -1.26 0.18 118.70 123.77 1jw3 s GLU 48 Ca 0.03 -0.82 0.08 0.00 0.36 0.00 0.00 54.97 54.62 1jw3 s GLU 48 Cb -0.06 -2.47 -0.03 0.00 0.26 0.00 0.00 34.13 31.84 1jw3 s GLU 48 CO 0.00 -0.12 -0.23 1.03 -0.54 0.00 0.00 175.26 175.40 1jw3 s ARG 49 N 1.07 1.59 -0.07 4.30 1.81 0.18 -4.95 118.95 122.89 1jw3 s ARG 49 Ca -0.01 -1.02 -0.04 0.00 -1.72 0.00 0.00 55.73 52.94 1jw3 s ARG 49 Cb -0.14 -1.74 -0.04 0.00 -0.45 0.00 0.00 34.95 32.58 1jw3 s ARG 49 CO -0.07 0.45 0.10 1.03 -0.68 0.00 0.00 175.30 176.12 1jw3 s ARG 50 N -1.20 3.25 0.08 3.54 0.52 -1.26 -1.09 118.95 122.80 1jw3 s ARG 50 Ca 0.10 -0.30 0.10 0.00 -0.52 0.00 0.00 55.73 55.11 1jw3 s ARG 50 Cb -0.09 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 1jw3 s ARG 50 CO 0.02 0.72 -0.25 0.08 0.02 0.00 0.00 175.30 175.88 1jw3 s VAL 51 N -1.07 2.28 0.03 3.52 1.01 0.32 -4.98 120.40 121.50 1jw3 s VAL 51 Ca 0.18 -1.52 0.06 0.00 0.00 0.00 0.00 61.98 60.70 1jw3 s VAL 51 Cb -0.12 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1jw3 s VAL 51 CO 0.08 0.24 -0.18 -1.61 0.00 0.00 0.00 175.10 173.63 1jw3 s GLU 52 N -1.62 1.28 0.01 2.72 8.01 -1.26 -0.67 118.70 127.18 1jw3 s GLU 52 Ca 0.13 -0.82 0.00 0.00 0.01 0.00 0.00 54.97 54.29 1jw3 s GLU 52 Cb -0.10 -1.33 -0.01 0.00 -4.31 0.00 0.00 34.13 28.38 1jw3 s GLU 52 CO 0.04 0.34 -0.02 0.42 0.01 0.00 0.00 175.26 176.06 1jw3 s ILE 53 N -0.72 0.08 -0.23 -1.63 1.01 0.54 -4.95 121.20 115.30 1jw3 s ILE 53 Ca 0.06 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1jw3 s ILE 53 Cb -0.08 -0.17 0.04 0.00 0.01 0.00 0.00 42.46 42.26 1jw3 s ILE 53 CO 0.01 -0.30 -0.14 -0.89 0.00 0.00 0.00 174.94 173.62 1jw3 s THR 54 N -0.89 2.08 0.32 2.92 2.01 -1.26 0.92 115.64 121.74 1jw3 s THR 54 Ca -0.10 -1.32 0.09 0.00 0.31 0.00 0.00 61.69 60.67 1jw3 s THR 54 Cb -0.06 -2.07 -0.06 0.00 0.01 0.00 0.00 72.50 70.31 1jw3 s THR 54 CO -0.01 0.20 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.47 1jw3 s SER 55 N 1.20 3.54 -0.39 3.53 0.15 0.58 -4.97 113.70 117.33 1jw3 s SER 55 Ca -0.03 -1.18 0.11 0.00 0.70 0.00 0.00 55.95 55.55 1jw3 s SER 55 Cb -0.17 -0.31 0.38 0.00 -1.71 0.00 0.00 66.02 64.21 1jw3 s SER 55 CO -0.08 -0.20 1.11 -0.62 1.20 0.00 0.00 173.24 174.65 1jw3 n GLU 56 N -0.73 1.11 -0.00 5.44 1.02 -1.26 0.16 120.64 126.37 1jw3 n GLU 56 Ca -0.05 -2.41 0.00 0.00 -0.02 0.00 0.00 57.16 54.68 1jw3 n GLU 56 Cb 0.63 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 1jw3 n GLU 56 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1jw3 n ASP 57 N -0.11 0.00 0.00 1.62 2.03 -1.26 -4.93 116.55 113.90 1jw3 n ASP 57 Ca 0.06 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1jw3 n ASP 57 Cb 0.78 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 1jw3 n ASP 57 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1jw3 n ARG 58 N 0.00 0.00 -0.27 -0.67 0.63 -1.26 -3.85 116.66 111.24 1jw3 n ARG 58 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 1jw3 n ARG 58 Cb 0.03 0.00 0.16 0.00 0.45 0.00 0.00 32.46 33.10 1jw3 n ARG 58 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 1jw3 h VAL 59 N 0.00 0.85 -0.35 5.15 -1.51 -1.94 0.33 116.25 118.79 1jw3 h VAL 59 Ca 0.00 -0.23 -0.05 0.00 -1.23 0.00 0.00 66.70 65.19 1jw3 h VAL 59 Cb 0.00 0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 29.26 1jw3 h VAL 59 CO 0.00 0.12 0.01 -1.28 -1.23 0.00 0.00 177.57 175.20 1jw3 h SER 60 N 0.67 0.50 -0.79 4.19 0.87 -1.85 -1.55 113.55 115.58 1jw3 h SER 60 Ca 0.38 -0.09 0.16 0.00 -1.23 0.00 0.00 61.79 61.01 1jw3 h SER 60 Cb 0.41 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 1jw3 h SER 60 CO -0.28 0.56 0.53 0.25 -0.53 0.00 0.00 176.83 177.36 1jw3 h LEU 61 N 0.52 0.42 -0.04 2.23 6.46 -1.23 0.75 115.31 124.41 1jw3 h LEU 61 Ca 0.11 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1jw3 h LEU 61 Cb 0.31 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1jw3 h LEU 61 CO 0.01 0.21 0.01 0.25 -0.62 0.00 0.00 178.44 178.30 1jw3 h LEU 62 N 0.44 0.07 -1.53 2.25 7.12 -1.11 -2.62 115.31 119.93 1jw3 h LEU 62 Ca 0.39 -0.23 0.15 0.00 0.13 0.00 0.00 57.88 58.32 1jw3 h LEU 62 Cb 0.89 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.94 1jw3 h LEU 62 CO -0.14 0.28 0.52 0.22 -0.13 0.00 0.00 178.44 179.20 1jw3 h TYR 63 N -0.15 0.54 0.00 1.25 5.03 -0.82 0.23 116.97 123.04 1jw3 h TYR 63 Ca 0.01 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1jw3 h TYR 63 Cb 0.24 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1jw3 h TYR 63 CO 0.01 0.20 0.00 -3.47 -1.32 0.00 0.00 178.16 173.58 1jw3 n ASP 64 N -4.49 0.00 0.05 -2.11 -0.08 -0.56 -3.09 116.55 106.27 1jw3 n ASP 64 Ca 0.15 0.44 -0.11 0.00 -1.51 0.00 0.00 54.79 53.76 1jw3 n ASP 64 Cb 0.53 -0.48 -0.08 0.00 2.34 0.00 0.00 41.12 43.43 1jw3 n ASP 64 CO 0.00 0.00 0.00 -0.25 0.12 0.00 0.00 177.20 177.07 1jw3 h TRP 65 N 0.00 -0.20 -0.08 -0.67 7.01 -0.19 -3.17 115.95 118.66 1jw3 h TRP 65 Ca 0.00 -0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.85 1jw3 h TRP 65 Cb 0.46 0.06 0.01 0.00 -2.10 0.00 0.00 29.16 27.59 1jw3 h TRP 65 CO 0.00 0.24 -0.51 1.25 -2.79 0.00 0.00 178.44 176.63 1jw3 h LEU 66 N -0.86 0.59 -1.70 0.65 6.46 -1.67 -3.07 115.31 115.71 1jw3 h LEU 66 Ca -0.02 -0.66 0.25 0.00 -0.12 0.00 0.00 57.88 57.33 1jw3 h LEU 66 Cb 0.53 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.22 1jw3 h LEU 66 CO 0.04 1.16 0.66 0.44 -0.62 0.00 0.00 178.44 180.12 1jw3 h ASP 67 N 0.06 0.23 -0.42 1.25 5.19 -1.70 0.99 116.42 122.02 1jw3 h ASP 67 Ca -0.04 0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 1jw3 h ASP 67 Cb 1.17 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 1jw3 h ASP 67 CO 0.10 0.07 -0.31 -0.08 -3.12 0.00 0.00 179.24 175.91 1jw3 h GLU 68 N 0.22 0.95 -0.05 3.56 4.57 -1.51 -2.24 114.58 120.08 1jw3 h GLU 68 Ca 0.50 -0.46 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 1jw3 h GLU 68 Cb 1.56 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.14 1jw3 h GLU 68 CO -0.13 1.13 -0.61 -0.07 -1.18 0.00 0.00 179.01 178.15 1jw3 h LEU 69 N 0.79 0.21 0.20 1.64 4.07 0.74 -1.27 115.31 121.69 1jw3 h LEU 69 Ca 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1jw3 h LEU 69 Cb 0.90 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.58 1jw3 h LEU 69 CO 0.08 0.77 -0.09 0.25 -1.08 0.00 0.00 178.44 178.36 1jw3 h LEU 70 N 0.14 -0.22 0.02 1.67 6.46 0.46 -2.12 115.31 121.71 1jw3 h LEU 70 Ca -0.01 -0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1jw3 h LEU 70 Cb 1.10 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1jw3 h LEU 70 CO 0.09 0.07 -0.01 0.15 -0.62 0.00 0.00 178.44 178.12 1jw3 h PHE 71 N -0.53 -0.02 -0.79 1.25 3.57 -1.46 -3.23 116.94 115.73 1jw3 h PHE 71 Ca -0.03 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.64 1jw3 h PHE 71 Cb 0.40 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 1jw3 h PHE 71 CO 0.01 0.53 0.53 0.97 -2.23 0.00 0.00 178.31 178.12 1jw3 h ILE 72 N -0.59 0.76 -0.34 1.41 2.10 -1.33 -1.81 117.51 117.71 1jw3 h ILE 72 Ca -0.00 -0.14 0.07 0.00 1.08 0.00 0.00 64.86 65.87 1jw3 h ILE 72 Cb 0.56 0.32 -0.08 0.00 -1.09 0.00 0.00 36.82 36.53 1jw3 h ILE 72 CO 0.00 0.07 -0.25 0.45 -1.08 0.00 0.00 178.15 177.35 1jw3 h HIS 73 N 0.41 -0.66 -0.05 2.19 3.86 -1.39 0.82 115.15 120.32 1jw3 h HIS 73 Ca 0.39 0.05 -0.17 0.00 -1.16 0.00 0.00 60.37 59.48 1jw3 h HIS 73 Cb 0.94 0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 1jw3 h HIS 73 CO -0.00 -0.32 -0.73 0.22 0.86 0.00 0.00 177.93 177.96 1jw3 h ASP 74 N -0.21 0.35 0.39 2.45 1.82 -1.56 1.09 116.42 120.74 1jw3 h ASP 74 Ca 0.17 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1jw3 h ASP 74 Cb 0.47 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.38 1jw3 h ASP 74 CO -0.46 0.96 0.00 0.74 -1.61 0.00 0.00 179.24 178.87 1jw3 h THR 75 N 0.20 0.00 -0.25 2.25 2.02 -0.35 -3.32 112.91 113.45 1jw3 h THR 75 Ca -0.03 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 66.81 1jw3 h THR 75 Cb 1.29 1.09 -0.14 0.00 -1.74 0.00 0.00 68.15 68.64 1jw3 h THR 75 CO 0.12 0.00 -0.40 -1.84 0.37 0.00 0.00 175.52 173.77 1jw3 n GLU 76 N -2.90 0.58 -1.52 6.66 0.28 0.27 -5.04 120.64 118.97 1jw3 n GLU 76 Ca -0.01 -1.58 -0.27 0.00 -0.16 0.00 0.00 57.16 55.14 1jw3 n GLU 76 Cb 0.15 -1.17 -0.15 0.00 1.43 0.00 0.00 31.44 31.70 1jw3 n GLU 76 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1jw3 n PHE 77 N 2.01 0.55 -4.25 -1.84 3.72 0.37 -4.63 117.46 113.38 1jw3 n PHE 77 Ca 0.10 0.11 -0.34 0.00 -0.05 0.00 0.00 57.45 57.27 1jw3 n PHE 77 Cb 0.63 -1.67 -0.14 0.00 -0.94 0.00 0.00 39.48 37.36 1jw3 n PHE 77 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1jw3 s ILE 78 N 6.77 3.32 0.08 4.37 -4.36 -1.26 -2.60 121.20 127.52 1jw3 s ILE 78 Ca 1.21 -0.53 -0.14 0.00 -0.26 0.00 0.00 60.65 60.92 1jw3 s ILE 78 Cb -0.73 -2.47 -0.17 0.00 1.25 0.00 0.00 42.46 40.35 1jw3 s ILE 78 CO 0.42 0.47 1.28 -0.07 0.24 0.00 0.00 174.94 177.27 1jw3 h LEU 79 N 7.47 0.85 -8.69 0.37 4.07 -1.88 -3.45 115.31 114.04 1jw3 h LEU 79 Ca -0.35 -0.63 -0.70 0.00 0.08 0.00 0.00 57.88 56.28 1jw3 h LEU 79 Cb 1.18 -0.25 -0.28 0.00 1.08 0.00 0.00 40.66 42.39 1jw3 h LEU 79 CO 0.59 1.34 -0.88 0.12 -1.08 0.00 0.00 178.44 178.54 1jw3 s PHE 80 N -3.72 2.36 -0.21 1.13 2.19 -1.26 -4.09 117.98 114.38 1jw3 s PHE 80 Ca -0.11 -0.40 -0.12 0.00 0.33 0.00 0.00 56.93 56.63 1jw3 s PHE 80 Cb 0.08 -1.47 0.07 0.00 -1.31 0.00 0.00 43.02 40.38 1jw3 s PHE 80 CO 0.88 0.05 0.50 0.45 1.83 0.00 0.00 175.22 178.93 1jw3 s SER 81 N -0.88 -0.66 0.07 6.13 0.15 -1.23 -4.00 113.70 113.28 1jw3 s SER 81 Ca 0.11 1.10 -0.23 0.00 0.70 0.00 0.00 55.95 57.62 1jw3 s SER 81 Cb -0.10 0.98 -0.06 0.00 -1.71 0.00 0.00 66.02 65.12 1jw3 s SER 81 CO 0.00 -0.21 0.70 -1.59 1.20 0.00 0.00 173.24 173.35 1jw3 s LYS 82 N 1.43 4.43 -0.25 5.44 -2.85 -1.22 -4.86 119.74 121.86 1jw3 s LYS 82 Ca -0.09 0.96 -0.08 0.00 -1.00 0.00 0.00 55.97 55.76 1jw3 s LYS 82 Cb -0.07 -3.31 -0.03 0.00 -2.06 0.00 0.00 37.83 32.36 1jw3 s LYS 82 CO -0.15 0.44 0.08 -0.06 0.10 0.00 0.00 175.35 175.76 1jw3 s PHE 83 N -0.54 3.11 -0.14 1.78 0.08 -1.26 -3.87 117.98 117.13 1jw3 s PHE 83 Ca 0.35 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 57.04 1jw3 s PHE 83 Cb -0.21 -2.24 0.04 0.00 -0.57 0.00 0.00 43.02 40.05 1jw3 s PHE 83 CO 0.22 -0.31 0.01 0.21 -0.10 0.00 0.00 175.22 175.25 1jw3 s LYS 84 N 1.54 0.74 0.09 0.44 2.20 -1.17 -4.97 119.74 118.60 1jw3 s LYS 84 Ca 0.06 -0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.51 1jw3 s LYS 84 Cb -0.15 -1.65 -0.04 0.00 -1.51 0.00 0.00 37.83 34.48 1jw3 s LYS 84 CO 0.04 -0.48 -0.10 0.14 -0.36 0.00 0.00 175.35 174.59 1jw3 s VAL 85 N 1.88 3.35 -0.04 4.02 -7.23 -1.26 -0.13 120.40 120.98 1jw3 s VAL 85 Ca 0.02 -1.20 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 1jw3 s VAL 85 Cb -0.15 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.26 1jw3 s VAL 85 CO -0.07 0.17 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.03 1jw3 s LYS 86 N -2.04 1.33 -0.07 4.82 2.20 1.19 -4.82 119.74 122.34 1jw3 s LYS 86 Ca 0.20 -0.36 0.02 0.00 -0.36 0.00 0.00 55.97 55.47 1jw3 s LYS 86 Cb -0.11 -1.17 0.01 0.00 -1.51 0.00 0.00 37.83 35.06 1jw3 s LYS 86 CO 0.12 0.08 -0.12 0.42 -0.36 0.00 0.00 175.35 175.48 1jw3 s ILE 87 N 0.44 1.16 -0.08 5.43 1.01 -1.26 0.18 121.20 128.07 1jw3 s ILE 87 Ca -0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 1jw3 s ILE 87 Cb -0.12 -1.06 0.03 0.00 0.01 0.00 0.00 42.46 41.31 1jw3 s ILE 87 CO 0.02 0.36 -0.04 -1.81 0.00 0.00 0.00 174.94 173.47 1jw3 s ASP 88 N 0.71 1.71 -0.32 3.58 1.11 -0.11 -4.98 116.67 118.36 1jw3 s ASP 88 Ca -0.14 -0.18 -0.09 0.00 0.18 0.00 0.00 52.55 52.32 1jw3 s ASP 88 Cb -0.16 -0.60 0.00 0.00 1.07 0.00 0.00 42.92 43.24 1jw3 s ASP 88 CO 0.03 -0.13 0.14 -1.61 1.18 0.00 0.00 175.17 174.78 1jw3 s GLU 89 N 1.65 3.16 0.00 8.23 2.02 -1.26 -1.42 118.70 131.08 1jw3 s GLU 89 Ca 0.01 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1jw3 s GLU 89 Cb -0.13 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.55 1jw3 s GLU 89 CO -0.05 -0.48 0.00 0.36 0.02 0.00 0.00 175.26 175.11 1jw3 n LYS 90 N 4.95 0.93 0.00 1.61 -0.00 -1.23 -4.98 118.16 119.44 1jw3 n LYS 90 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1jw3 n LYS 90 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.51 1jw3 n LYS 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1jw3 n ASP 91 N -2.00 0.05 -0.00 -5.58 9.92 -1.26 -1.51 116.55 116.17 1jw3 n ASP 91 Ca 0.00 -0.64 0.06 0.00 -0.53 0.00 0.00 54.79 53.67 1jw3 n ASP 91 Cb 0.00 -0.03 -0.08 0.00 -0.64 0.00 0.00 41.12 40.37 1jw3 n ASP 91 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1jw3 n ASP 92 N -0.36 2.06 0.00 -2.24 -0.08 -1.26 -5.09 116.55 109.57 1jw3 n ASP 92 Ca 0.00 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1jw3 n ASP 92 Cb 0.01 1.43 0.00 0.00 2.34 0.00 0.00 41.12 44.91 1jw3 n ASP 92 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jw3 n GLY 93 N 1.75 1.27 2.90 0.27 0.00 -0.57 -4.93 105.19 105.88 1jw3 n GLY 93 Ca -0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 1jw3 n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jw3 s LEU 94 N 0.00 1.52 0.01 0.99 2.01 0.42 -3.50 118.68 120.12 1jw3 s LEU 94 Ca 0.00 -0.09 0.05 0.00 0.01 0.00 0.00 54.13 54.10 1jw3 s LEU 94 Cb 0.00 -0.33 -0.02 0.00 0.01 0.00 0.00 46.19 45.85 1jw3 s LEU 94 CO 0.00 -0.03 -0.17 -2.28 1.01 0.00 0.00 176.35 174.89 1jw3 s HIS 95 N 0.59 1.47 -0.07 0.29 2.46 -0.50 0.21 115.29 119.74 1jw3 s HIS 95 Ca -0.07 -0.31 0.02 0.00 0.47 0.00 0.00 55.06 55.17 1jw3 s HIS 95 Cb -0.10 -0.91 0.01 0.00 -0.13 0.00 0.00 32.58 31.45 1jw3 s HIS 95 CO -0.00 0.02 -0.13 -1.17 -2.47 0.00 0.00 174.74 170.98 1jw3 s LEU 96 N -0.73 1.67 -0.15 8.88 0.20 0.26 -0.94 118.68 127.87 1jw3 s LEU 96 Ca 0.05 -0.33 0.00 0.00 0.69 0.00 0.00 54.13 54.55 1jw3 s LEU 96 Cb -0.07 -0.90 0.03 0.00 -0.43 0.00 0.00 46.19 44.82 1jw3 s LEU 96 CO 0.00 0.04 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.08 1jw3 s THR 97 N 0.69 1.55 0.08 3.68 2.01 0.46 0.20 115.64 124.32 1jw3 s THR 97 Ca -0.14 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.27 1jw3 s THR 97 Cb -0.16 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1jw3 s THR 97 CO 0.03 0.41 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.35 1jw3 s GLY 98 N 1.49 1.14 0.01 4.40 0.00 0.16 0.37 107.32 114.89 1jw3 s GLY 98 Ca 0.04 -1.15 0.08 0.00 0.00 0.00 0.00 44.72 43.70 1jw3 s GLY 98 CO -0.10 -1.13 -0.24 -1.59 0.00 0.00 0.00 173.10 170.03 1jw3 s THR 99 N -1.07 2.25 -0.02 0.90 2.01 0.82 0.12 115.64 120.64 1jw3 s THR 99 Ca 0.05 -1.22 -0.01 0.00 0.31 0.00 0.00 61.69 60.83 1jw3 s THR 99 Cb -0.10 -1.85 0.02 0.00 0.01 0.00 0.00 72.50 70.59 1jw3 s THR 99 CO 0.03 0.46 0.05 0.00 -0.69 0.00 0.00 174.62 174.47 1jw3 s ALA 100 N -0.74 -0.02 0.06 7.40 0.00 -0.25 -3.07 121.76 125.15 1jw3 s ALA 100 Ca 0.11 0.29 0.08 0.00 0.00 0.00 0.00 51.96 52.44 1jw3 s ALA 100 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1jw3 s ALA 100 CO 0.01 -0.08 -0.21 1.41 0.00 0.00 0.00 175.76 176.89 1jw3 s MET 101 N 0.74 1.34 0.00 0.00 1.75 -1.24 0.52 119.30 122.41 1jw3 s MET 101 Ca -0.06 -1.00 0.00 0.00 -1.25 0.00 0.00 55.69 53.38 1jw3 s MET 101 Cb -0.09 -1.49 0.00 0.00 2.84 0.00 0.00 34.83 36.09 1jw3 s MET 101 CO -0.02 0.37 0.00 0.41 -0.65 0.00 0.00 175.02 175.13 1jw3 n GLY 102 N 1.68 0.80 3.59 2.11 0.00 0.48 -3.39 105.19 110.46 1jw3 n GLY 102 Ca -0.18 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1jw3 n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jw3 s GLU 103 N -0.42 2.05 0.00 1.61 -6.30 -1.25 -4.27 118.70 110.11 1jw3 s GLU 103 Ca 0.00 -1.64 0.00 0.00 -2.50 0.00 0.00 54.97 50.83 1jw3 s GLU 103 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 34.13 32.16 1jw3 s GLU 103 CO 0.00 0.26 0.00 -1.91 0.02 0.00 0.00 175.26 173.63 1jw3 n GLU 104 N -0.85 0.00 -2.39 4.30 2.13 -1.26 -4.61 120.64 117.97 1jw3 n GLU 104 Ca -0.05 0.18 -0.41 0.00 0.66 0.00 0.00 57.16 57.54 1jw3 n GLU 104 Cb 0.61 -0.37 -0.04 0.00 0.27 0.00 0.00 31.44 31.91 1jw3 n GLU 104 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1jw3 s ILE 105 N -0.03 3.42 -0.09 6.31 2.07 -1.07 -4.82 121.20 126.99 1jw3 s ILE 105 Ca 0.00 1.32 -0.10 0.00 -1.41 0.00 0.00 60.65 60.46 1jw3 s ILE 105 Cb 0.00 -3.84 -0.05 0.00 0.13 0.00 0.00 42.46 38.70 1jw3 s ILE 105 CO 0.00 0.27 0.23 -0.75 -1.91 0.00 0.00 174.94 172.79 1jw3 s LYS 106 N -0.99 3.68 0.15 3.50 2.47 -1.26 -5.04 119.74 122.25 1jw3 s LYS 106 Ca 0.48 0.05 -0.32 0.00 -1.56 0.00 0.00 55.97 54.62 1jw3 s LYS 106 Cb -0.33 -3.23 -0.12 0.00 -1.46 0.00 0.00 37.83 32.69 1jw3 s LYS 106 CO 0.41 0.69 1.75 0.39 0.16 0.00 0.00 175.35 178.75 1jw3 n GLU 107 N 2.12 2.65 -3.57 4.03 1.02 -1.26 -1.85 120.64 123.78 1jw3 n GLU 107 Ca -0.17 0.96 -0.26 0.00 -0.02 0.00 0.00 57.16 57.67 1jw3 n GLU 107 Cb 0.54 -2.81 0.04 0.00 -0.02 0.00 0.00 31.44 29.18 1jw3 n GLU 107 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jw3 n GLY 108 N 4.01 -0.52 3.53 0.62 0.00 -1.26 -4.90 105.19 106.66 1jw3 n GLY 108 Ca 0.17 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 1jw3 n GLY 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jw3 s HIS 109 N -3.23 2.56 0.28 1.61 2.46 -0.77 -4.73 115.29 113.47 1jw3 s HIS 109 Ca 0.54 -0.07 0.00 0.00 0.47 0.00 0.00 55.06 55.99 1jw3 s HIS 109 Cb -0.26 -4.39 0.00 0.00 -0.13 0.00 0.00 32.58 27.80 1jw3 s HIS 109 CO 0.66 -1.70 0.00 0.39 -2.47 0.00 0.00 174.74 171.62 1jw3 n GLU 110 N 8.32 -5.36 -3.88 2.88 -0.58 -1.26 -4.96 120.64 115.81 1jw3 n GLU 110 Ca 0.02 3.83 -0.36 0.00 -0.42 0.00 0.00 57.16 60.23 1jw3 n GLU 110 Cb 0.48 -4.15 -0.13 0.00 -0.57 0.00 0.00 31.44 27.06 1jw3 n GLU 110 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1jw3 s ARG 111 N -1.33 3.55 0.34 3.49 1.81 -1.26 -5.05 118.95 120.50 1jw3 s ARG 111 Ca 0.00 -0.54 -0.01 0.00 -1.72 0.00 0.00 55.73 53.46 1jw3 s ARG 111 Cb 0.00 -3.16 0.01 0.00 -0.45 0.00 0.00 34.95 31.35 1jw3 s ARG 111 CO 0.00 -0.15 0.47 -2.13 -0.68 0.00 0.00 175.30 172.81 1jw3 n ARG 112 N 4.73 0.67 -3.18 3.54 0.63 -1.26 -5.14 116.66 116.65 1jw3 n ARG 112 Ca -0.17 -2.76 -0.39 0.00 -0.92 0.00 0.00 57.85 53.61 1jw3 n ARG 112 Cb 0.51 2.64 -0.06 0.00 0.45 0.00 0.00 32.46 36.00 1jw3 n ARG 112 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1jw3 s ASP 113 N -3.13 6.75 0.03 6.15 -4.77 -1.26 -5.06 116.67 115.37 1jw3 s ASP 113 Ca 0.29 0.90 0.08 0.00 -3.30 0.00 0.00 52.55 50.52 1jw3 s ASP 113 Cb -0.01 -2.34 -0.03 0.00 -1.09 0.00 0.00 42.92 39.46 1jw3 s ASP 113 CO 0.21 -0.13 -0.24 -1.61 0.70 0.00 0.00 175.17 174.10 1jw3 s GLU 114 N 1.15 1.70 -0.23 2.11 2.02 -1.26 -4.69 118.70 119.49 1jw3 s GLU 114 Ca 0.29 -1.02 -0.29 0.00 0.02 0.00 0.00 54.97 53.98 1jw3 s GLU 114 Cb -0.16 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 1jw3 s GLU 114 CO 0.12 0.47 1.59 0.54 0.02 0.00 0.00 175.26 178.01 1jw3 s VAL 115 N -0.76 3.73 -0.85 2.63 0.11 -1.26 -4.86 120.40 119.13 1jw3 s VAL 115 Ca 0.10 0.82 0.04 0.00 -2.93 0.00 0.00 61.98 60.01 1jw3 s VAL 115 Cb -0.09 -3.75 0.24 0.00 -1.53 0.00 0.00 36.38 31.24 1jw3 s VAL 115 CO 0.01 -0.32 0.88 0.29 -3.33 0.00 0.00 175.10 172.64 1jw3 n LYS 116 N 7.66 2.11 -3.17 1.54 4.76 -1.26 -4.51 118.16 125.28 1jw3 n LYS 116 Ca 0.19 -0.91 0.01 0.00 -2.87 0.00 0.00 58.31 54.72 1jw3 n LYS 116 Cb 0.45 -1.70 -0.01 0.00 -1.84 0.00 0.00 35.03 31.94 1jw3 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jw3 s ALA 117 N -1.53 -2.54 -0.46 7.82 0.00 -1.18 -5.06 121.76 118.81 1jw3 s ALA 117 Ca 0.16 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 1jw3 s ALA 117 Cb 0.12 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.52 1jw3 s ALA 117 CO 0.05 -2.22 0.72 0.08 0.00 0.00 0.00 175.76 174.39 1jw3 s VAL 118 N 1.90 4.72 -0.14 0.00 1.01 -1.26 -0.17 120.40 126.46 1jw3 s VAL 118 Ca 0.16 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 1jw3 s VAL 118 Cb -0.04 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1jw3 s VAL 118 CO -0.08 -0.72 -0.11 -0.89 0.00 0.00 0.00 175.10 173.30 1jw3 s THR 119 N 3.09 3.22 -1.08 3.92 2.01 -1.25 -4.94 115.64 120.60 1jw3 s THR 119 Ca 0.25 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.52 1jw3 s THR 119 Cb -0.14 -2.37 -0.07 0.00 0.01 0.00 0.00 72.50 69.93 1jw3 s THR 119 CO 0.20 0.52 2.20 2.22 -0.69 0.00 0.00 174.62 179.06 1jw3 n PHE 120 N 3.53 2.14 -0.18 4.92 -1.74 -1.26 -4.07 117.46 120.80 1jw3 n PHE 120 Ca -0.18 -2.29 -0.08 0.00 -0.56 0.00 0.00 57.45 54.35 1jw3 n PHE 120 Cb 0.53 -1.99 0.02 0.00 1.52 0.00 0.00 39.48 39.56 1jw3 n PHE 120 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1jw3 h HIS 121 N 6.59 0.74 0.00 2.97 2.76 -1.87 -3.42 115.15 122.91 1jw3 h HIS 121 Ca 0.54 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.69 1jw3 h HIS 121 Cb 0.45 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1jw3 h HIS 121 CO 1.60 0.56 0.00 -1.33 -1.30 0.00 0.00 177.93 177.46 1jw3 n MET 122 N -4.61 0.00 -3.94 5.26 2.81 -1.25 -4.85 117.12 110.54 1jw3 n MET 122 Ca 0.02 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.64 1jw3 n MET 122 Cb 0.10 -0.35 -0.01 0.00 -0.71 0.00 0.00 33.22 32.25 1jw3 n MET 122 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1jw3 n MET 123 N -3.27 -2.74 -4.21 0.03 2.00 0.15 -4.95 117.12 104.14 1jw3 n MET 123 Ca 0.00 0.38 -0.12 0.00 0.00 0.00 0.00 57.70 57.96 1jw3 n MET 123 Cb 0.00 -4.33 -0.10 0.00 0.00 0.00 0.00 33.22 28.79 1jw3 n MET 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1jw3 s GLU 124 N -6.56 0.99 -0.20 0.03 -6.30 -1.23 -3.19 118.70 102.24 1jw3 s GLU 124 Ca 0.09 -1.45 -0.01 0.00 -2.50 0.00 0.00 54.97 51.10 1jw3 s GLU 124 Cb -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 34.13 33.90 1jw3 s GLU 124 CO 0.89 -0.10 -0.13 0.96 0.02 0.00 0.00 175.26 176.91 1jw3 s ILE 125 N -3.67 2.56 -0.13 -3.70 -4.36 -1.26 -2.50 121.20 108.14 1jw3 s ILE 125 Ca 0.19 -0.84 -0.05 0.00 -0.26 0.00 0.00 60.65 59.69 1jw3 s ILE 125 Cb 0.06 -2.15 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 1jw3 s ILE 125 CO 0.00 0.44 0.07 -1.48 0.24 0.00 0.00 174.94 174.22 1jw3 s LEU 126 N 1.35 3.93 -0.26 0.37 2.34 -0.11 -4.86 118.68 121.43 1jw3 s LEU 126 Ca 0.04 0.23 -0.12 0.00 0.06 0.00 0.00 54.13 54.34 1jw3 s LEU 126 Cb -0.14 -1.95 -0.05 0.00 -0.56 0.00 0.00 46.19 43.49 1jw3 s LEU 126 CO -0.09 0.32 0.23 -0.62 -1.06 0.00 0.00 176.35 175.13 1jw3 s ASP 127 N -0.49 6.14 -0.15 1.48 -1.08 -1.26 -0.98 116.67 120.33 1jw3 s ASP 127 Ca 0.10 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.27 1jw3 s ASP 127 Cb -0.12 -2.14 0.02 0.00 -1.46 0.00 0.00 42.92 39.22 1jw3 s ASP 127 CO 0.02 -0.03 -0.14 -0.70 0.52 0.00 0.00 175.17 174.84 1jw3 s GLU 128 N 1.51 2.25 -2.04 4.34 2.12 0.26 -4.70 118.70 122.44 1jw3 s GLU 128 Ca 0.10 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1jw3 s GLU 128 Cb -0.15 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.13 1jw3 s GLU 128 CO 0.08 -0.25 0.00 -3.47 -0.54 0.00 0.00 175.26 171.08 1jw3 n ASP 129 N 4.77 -5.37 0.00 -1.70 2.03 -1.26 0.22 116.55 115.25 1jw3 n ASP 129 Ca -0.17 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1jw3 n ASP 129 Cb 0.50 -4.70 0.00 0.00 -0.72 0.00 0.00 41.12 36.20 1jw3 n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jw3 n GLY 130 N -0.51 0.72 3.89 0.27 0.00 -1.26 -5.05 105.19 103.26 1jw3 n GLY 130 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1jw3 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jw3 s LEU 131 N 0.00 4.35 -0.08 0.99 1.43 0.13 -4.91 118.68 120.60 1jw3 s LEU 131 Ca 0.00 0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.40 1jw3 s LEU 131 Cb 0.00 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1jw3 s LEU 131 CO 0.00 0.28 0.14 0.27 0.23 0.00 0.00 176.35 177.27 1jw3 s ILE 132 N -1.28 5.32 -0.02 -0.59 -0.00 -1.26 0.91 121.20 124.29 1jw3 s ILE 132 Ca 0.25 0.01 0.02 0.00 -0.00 0.00 0.00 60.65 60.94 1jw3 s ILE 132 Cb -0.13 -3.37 0.00 0.00 -0.00 0.00 0.00 42.46 38.97 1jw3 s ILE 132 CO 0.17 0.51 -0.07 -0.54 -0.00 0.00 0.00 174.94 175.00 1jw3 s LYS 133 N -1.34 0.70 -0.09 0.37 3.01 -0.15 0.13 119.74 122.38 1jw3 s LYS 133 Ca 0.19 -0.25 -0.00 0.00 -1.01 0.00 0.00 55.97 54.90 1jw3 s LYS 133 Cb -0.12 -0.68 -0.03 0.00 -1.01 0.00 0.00 37.83 35.99 1jw3 s LYS 133 CO 0.09 0.11 -0.06 0.00 0.51 0.00 0.00 175.35 176.00 1jw3 s ALA 134 N 0.06 2.98 -0.04 5.17 0.00 -0.93 -0.94 121.76 128.07 1jw3 s ALA 134 Ca -0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 1jw3 s ALA 134 Cb -0.06 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.80 1jw3 s ALA 134 CO -0.00 0.50 0.06 -0.98 0.00 0.00 0.00 175.76 175.34 1jw3 s ARG 135 N -0.57 -0.07 -0.16 0.00 1.70 -1.04 -1.73 118.95 117.08 1jw3 s ARG 135 Ca 0.09 0.35 -0.01 0.00 -0.47 0.00 0.00 55.73 55.69 1jw3 s ARG 135 Cb -0.12 -0.47 0.04 0.00 -0.57 0.00 0.00 34.95 33.84 1jw3 s ARG 135 CO 0.02 -0.30 -0.04 0.08 -1.08 0.00 0.00 175.30 173.98 1jw3 s VAL 136 N 2.00 0.96 0.04 4.99 1.01 -1.24 0.31 120.40 128.47 1jw3 s VAL 136 Ca 0.03 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 1jw3 s VAL 136 Cb -0.12 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1jw3 s VAL 136 CO -0.03 0.10 0.86 -0.63 0.00 0.00 0.00 175.10 175.40 1jw3 s ILE 137 N 1.70 4.73 0.12 2.22 1.09 -1.26 -3.04 121.20 126.77 1jw3 s ILE 137 Ca 0.01 1.82 0.08 0.00 -1.10 0.00 0.00 60.65 61.46 1jw3 s ILE 137 Cb -0.15 -4.21 -0.04 0.00 -1.06 0.00 0.00 42.46 37.00 1jw3 s ILE 137 CO -0.07 0.29 -0.20 -0.76 -0.10 0.00 0.00 174.94 174.10 1jw3 s LEU 138 N 0.28 2.35 -0.41 2.97 1.43 -1.26 -3.13 118.68 120.92 1jw3 s LEU 138 Ca 0.44 -0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 52.52 1jw3 s LEU 138 Cb -0.21 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.16 1jw3 s LEU 138 CO 0.25 0.03 0.95 -1.81 0.23 0.00 0.00 176.35 176.00 1jw3 s ASP 139 N -2.18 6.63 0.00 2.29 1.11 0.76 -4.08 116.67 121.19 1jw3 s ASP 139 Ca 0.10 0.44 0.00 0.00 0.18 0.00 0.00 52.55 53.27 1jw3 s ASP 139 Cb -0.08 -2.47 0.00 0.00 1.07 0.00 0.00 42.92 41.43 1jw3 s ASP 139 CO 0.05 -0.96 0.00 0.18 1.18 0.00 0.00 175.17 175.62