#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 2.36 -0.97 0.03 4.81 -1.26 -4.78 118.16 118.35 1jw3 n LYS 2 Ca 0.00 -2.80 0.00 0.00 -0.87 0.00 0.00 58.31 54.64 1jw3 n LYS 2 Cb 0.00 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1jw3 n LYS 2 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jw3 n GLY 3 N -0.70 0.41 2.93 3.14 0.00 -1.26 -4.95 105.19 104.76 1jw3 n GLY 3 Ca 0.54 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.00 -0.06 -0.11 1.61 -0.71 -1.25 -0.49 117.98 114.97 1jw3 s PHE 4 Ca 0.00 0.16 -0.07 0.00 -1.04 0.00 0.00 56.93 55.98 1jw3 s PHE 4 Cb 0.00 0.02 0.04 0.00 -1.21 0.00 0.00 43.02 41.87 1jw3 s PHE 4 CO 0.00 -0.03 0.27 -1.83 -1.34 0.00 0.00 175.22 172.29 1jw3 s GLU 5 N 0.05 0.26 0.08 1.99 -1.05 0.31 -4.84 118.70 115.50 1jw3 s GLU 5 Ca -0.00 0.51 -0.04 0.00 -0.15 0.00 0.00 54.97 55.28 1jw3 s GLU 5 Cb -0.01 -0.03 -0.05 0.00 -0.44 0.00 0.00 34.13 33.60 1jw3 s GLU 5 CO 0.00 -0.12 0.31 -0.59 0.95 0.00 0.00 175.26 175.80 1jw3 s PHE 6 N 0.93 3.52 -0.08 4.83 -0.12 -1.26 0.21 117.98 126.01 1jw3 s PHE 6 Ca -0.07 0.50 -0.01 0.00 -0.05 0.00 0.00 56.93 57.31 1jw3 s PHE 6 Cb -0.08 -1.95 -0.03 0.00 -0.63 0.00 0.00 43.02 40.33 1jw3 s PHE 6 CO -0.06 0.52 -0.03 -0.59 -0.05 0.00 0.00 175.22 175.01 1jw3 s PHE 7 N -1.51 3.07 -0.46 3.49 -0.12 -1.13 -4.96 117.98 116.36 1jw3 s PHE 7 Ca 0.35 0.12 -0.27 0.00 -0.05 0.00 0.00 56.93 57.09 1jw3 s PHE 7 Cb -0.13 -1.75 -0.07 0.00 -0.63 0.00 0.00 43.02 40.44 1jw3 s PHE 7 CO 0.23 0.41 2.39 -0.40 -0.05 0.00 0.00 175.22 177.80 1jw3 n ASP 8 N 2.16 2.41 -4.75 1.98 5.68 -1.26 -4.55 116.55 118.22 1jw3 n ASP 8 Ca -0.18 -0.35 -0.27 0.00 -0.50 0.00 0.00 54.79 53.48 1jw3 n ASP 8 Cb 0.53 -1.55 -0.06 0.00 -1.14 0.00 0.00 41.12 38.90 1jw3 n ASP 8 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jw3 s VAL 9 N 11.39 4.27 -0.84 2.12 0.11 -1.26 -5.05 120.40 131.13 1jw3 s VAL 9 Ca 1.00 -1.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 1jw3 s VAL 9 Cb -0.25 -3.14 0.34 0.00 -1.53 0.00 0.00 36.38 31.80 1jw3 s VAL 9 CO 0.29 -0.05 1.62 0.41 -3.33 0.00 0.00 175.10 174.04 1jw3 n THR 10 N -0.08 4.61 0.00 5.04 -1.04 -1.26 -4.73 114.28 116.81 1jw3 n THR 10 Ca -0.09 -5.45 0.00 0.00 -2.04 0.00 0.00 64.05 56.47 1jw3 n THR 10 Cb 0.54 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 1jw3 n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jw3 n ALA 11 N -0.24 0.00 -3.80 2.41 0.00 -1.26 -5.09 120.51 112.53 1jw3 n ALA 11 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.59 1jw3 n ALA 11 Cb 0.32 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.60 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 0.00 2.65 -0.21 0.00 1.11 -1.25 0.31 116.67 119.27 1jw3 s ASP 12 Ca 0.00 -0.48 -0.11 0.00 0.18 0.00 0.00 52.55 52.14 1jw3 s ASP 12 Cb 0.00 -1.19 -0.05 0.00 1.07 0.00 0.00 42.92 42.75 1jw3 s ASP 12 CO 0.00 0.00 0.17 0.00 1.18 0.00 0.00 175.17 176.52 1jw3 s ALA 13 N 1.14 3.65 0.04 5.23 0.00 0.81 -4.61 121.76 128.01 1jw3 s ALA 13 Ca -0.02 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1jw3 s ALA 13 Cb -0.14 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 1jw3 s ALA 13 CO -0.05 0.01 -0.04 0.20 0.00 0.00 0.00 175.76 175.89 1jw3 s GLY 14 N 0.63 1.83 0.14 0.00 0.00 -1.22 0.10 107.32 108.81 1jw3 s GLY 14 Ca 0.09 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.80 1jw3 s GLY 14 CO 0.01 -0.96 0.12 -1.36 0.00 0.00 0.00 173.10 170.91 1jw3 s PHE 15 N -1.13 3.16 -0.18 1.90 0.40 0.33 -2.82 117.98 119.65 1jw3 s PHE 15 Ca 0.20 0.01 -0.03 0.00 -0.60 0.00 0.00 56.93 56.51 1jw3 s PHE 15 Cb -0.11 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 1jw3 s PHE 15 CO 0.12 0.52 -0.05 -1.58 0.70 0.00 0.00 175.22 174.92 1jw3 s TRP 16 N -1.64 2.96 0.30 0.36 0.23 0.56 -2.21 118.94 119.50 1jw3 s TRP 16 Ca 0.30 -0.59 0.11 0.00 -2.03 0.00 0.00 56.10 53.89 1jw3 s TRP 16 Cb -0.11 -2.00 -0.05 0.00 0.03 0.00 0.00 33.47 31.34 1jw3 s TRP 16 CO 0.23 -0.26 -0.15 0.00 0.96 0.00 0.00 176.95 177.72 1jw3 s ALA 17 N 0.80 2.84 0.27 0.98 0.00 0.30 0.11 121.76 127.07 1jw3 s ALA 17 Ca -0.02 -1.92 0.12 0.00 0.00 0.00 0.00 51.96 50.14 1jw3 s ALA 17 Cb -0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1jw3 s ALA 17 CO 0.02 0.22 -0.19 0.71 0.00 0.00 0.00 175.76 176.52 1jw3 s TYR 18 N -2.52 2.31 0.51 0.00 1.51 0.35 -0.68 117.35 118.83 1jw3 s TYR 18 Ca 0.31 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 56.08 1jw3 s TYR 18 Cb -0.03 -1.01 -0.00 0.00 -0.11 0.00 0.00 41.96 40.81 1jw3 s TYR 18 CO 0.16 0.70 0.15 0.20 -1.11 0.00 0.00 175.55 175.65 1jw3 s GLY 19 N -3.46 2.73 0.00 0.71 0.00 0.53 -3.76 107.32 104.08 1jw3 s GLY 19 Ca 0.29 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1jw3 s GLY 19 CO 0.15 -2.09 0.14 1.57 0.00 0.00 0.00 173.10 172.87 1jw3 n HIS 20 N -1.42 0.00 0.00 1.90 -0.00 -1.26 -4.69 115.22 109.75 1jw3 n HIS 20 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 1jw3 n HIS 20 Cb 0.66 0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.68 1jw3 n HIS 20 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1jw3 n ASP 21 N 0.00 0.00 0.00 0.26 8.00 -1.26 -4.89 116.55 118.66 1jw3 n ASP 21 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jw3 n ASP 21 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1jw3 n ASP 21 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1jw3 n LEU 22 N 0.00 0.00 -0.27 0.64 -0.00 -1.26 -4.45 117.00 111.66 1jw3 n LEU 22 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1jw3 n LEU 22 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.50 1jw3 n LEU 22 CO 0.00 0.00 1.17 -0.33 -0.00 0.00 0.00 177.39 178.23 1jw3 h GLU 23 N 0.00 0.92 -0.51 1.96 3.07 -1.93 -2.84 114.58 115.26 1jw3 h GLU 23 Ca 0.00 -0.06 0.09 0.00 -0.50 0.00 0.00 59.36 58.89 1jw3 h GLU 23 Cb 0.00 -0.21 -0.07 0.00 -0.84 0.00 0.00 28.75 27.63 1jw3 h GLU 23 CO 0.00 0.61 0.11 1.49 -1.40 0.00 0.00 179.01 179.82 1jw3 h GLU 24 N 0.95 0.24 -0.11 2.33 4.57 -1.90 -2.41 114.58 118.24 1jw3 h GLU 24 Ca 0.29 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.38 1jw3 h GLU 24 Cb -0.04 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1jw3 h GLU 24 CO -0.09 0.16 -0.26 -0.39 -1.18 0.00 0.00 179.01 177.25 1jw3 h VAL 25 N 0.24 1.23 0.44 0.32 -1.51 -1.59 -2.03 116.25 113.35 1jw3 h VAL 25 Ca 0.25 -1.09 -0.02 0.00 -1.23 0.00 0.00 66.70 64.61 1jw3 h VAL 25 Cb 0.34 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1jw3 h VAL 25 CO -0.33 0.33 -0.21 -0.26 -1.23 0.00 0.00 177.57 175.87 1jw3 h PHE 26 N 0.18 -0.55 -0.26 5.19 0.04 -1.33 0.14 116.94 120.36 1jw3 h PHE 26 Ca 0.03 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 1jw3 h PHE 26 Cb 0.56 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 1jw3 h PHE 26 CO 0.01 -0.33 -0.27 0.93 -0.60 0.00 0.00 178.31 178.04 1jw3 h GLU 27 N -0.60 0.50 0.00 1.51 4.39 -1.55 -1.97 114.58 116.87 1jw3 h GLU 27 Ca -0.06 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 1jw3 h GLU 27 Cb 0.46 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1jw3 h GLU 27 CO 0.10 0.73 -0.17 -0.91 -1.16 0.00 0.00 179.01 177.60 1jw3 h ASN 28 N 0.44 0.00 0.72 1.42 4.21 -1.13 -0.31 115.58 120.93 1jw3 h ASN 28 Ca 0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1jw3 h ASN 28 Cb 0.70 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1jw3 h ASN 28 CO 0.05 0.17 0.00 0.00 -1.29 0.00 0.00 177.43 176.36 1jw3 n ALA 29 N -2.38 1.67 0.64 -0.83 0.00 0.48 -1.80 120.51 118.29 1jw3 n ALA 29 Ca -0.02 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1jw3 n ALA 29 Cb 0.25 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 1jw3 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jw3 n ALA 30 N -1.75 3.95 -0.00 0.00 0.00 -0.15 -4.32 120.51 118.25 1jw3 n ALA 30 Ca 0.02 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 1jw3 n ALA 30 Cb 0.23 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 1jw3 n ALA 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jw3 h LEU 31 N 0.00 0.15 -0.76 0.00 6.46 -1.14 -3.32 115.31 116.71 1jw3 h LEU 31 Ca 0.00 -0.31 0.17 0.00 -0.12 0.00 0.00 57.88 57.62 1jw3 h LEU 31 Cb 0.68 -0.05 -0.12 0.00 -0.73 0.00 0.00 40.66 40.44 1jw3 h LEU 31 CO 0.00 1.28 0.17 0.00 -0.62 0.00 0.00 178.44 179.27 1jw3 h ALA 32 N 0.70 0.98 -0.17 1.25 0.00 -1.64 0.98 119.26 121.36 1jw3 h ALA 32 Ca -0.31 0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1jw3 h ALA 32 Cb 2.01 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 20.06 1jw3 h ALA 32 CO 0.09 -0.36 -0.62 1.98 0.00 0.00 0.00 179.25 180.35 1jw3 h MET 33 N 0.25 0.58 -0.06 0.00 1.85 -1.81 -3.10 114.93 112.63 1jw3 h MET 33 Ca 0.43 -0.40 -0.03 0.00 -0.61 0.00 0.00 59.70 59.09 1jw3 h MET 33 Cb 0.76 0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.85 1jw3 h MET 33 CO -0.54 1.02 -0.09 0.74 -0.40 0.00 0.00 176.91 177.63 1jw3 h PHE 34 N 0.43 0.20 -0.67 1.39 -1.00 -1.03 0.31 116.94 116.58 1jw3 h PHE 34 Ca -0.01 -0.07 0.19 0.00 2.81 0.00 0.00 57.97 60.89 1jw3 h PHE 34 Cb 1.18 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 40.68 1jw3 h PHE 34 CO 0.05 0.67 0.48 1.49 -1.61 0.00 0.00 178.31 179.39 1jw3 h GLU 35 N -0.33 0.03 0.03 1.51 4.22 0.82 -1.63 114.58 119.23 1jw3 h GLU 35 Ca 0.00 -0.00 -0.25 0.00 0.08 0.00 0.00 59.36 59.19 1jw3 h GLU 35 Cb 0.65 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1jw3 h GLU 35 CO 0.02 0.02 -1.37 0.28 -2.18 0.00 0.00 179.01 175.78 1jw3 h VAL 36 N 0.03 0.89 -0.67 0.32 2.07 -1.46 -3.39 116.25 114.05 1jw3 h VAL 36 Ca 0.32 -2.22 0.14 0.00 0.82 0.00 0.00 66.70 65.76 1jw3 h VAL 36 Cb 1.23 2.30 -0.12 0.00 -1.52 0.00 0.00 31.29 33.19 1jw3 h VAL 36 CO -0.01 0.43 -0.04 0.00 0.02 0.00 0.00 177.57 177.97 1jw3 h MET 37 N -0.80 0.08 0.00 1.57 -0.00 0.17 -3.40 114.93 112.56 1jw3 h MET 37 Ca -0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.34 1jw3 h MET 37 Cb 1.44 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 33.02 1jw3 h MET 37 CO -0.15 0.05 0.00 -2.37 -0.00 0.00 0.00 176.91 174.44 1jw3 n THR 38 N -5.34 0.00 -3.48 -0.10 5.66 -0.66 -4.72 114.28 105.64 1jw3 n THR 38 Ca 0.10 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.86 1jw3 n THR 38 Cb 0.39 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.15 1jw3 n THR 38 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1jw3 s ASP 39 N 0.00 6.32 0.56 1.09 2.15 -1.26 -3.80 116.67 121.73 1jw3 s ASP 39 Ca 0.00 0.41 0.25 0.00 0.43 0.00 0.00 52.55 53.64 1jw3 s ASP 39 Cb 0.00 -2.02 1.58 0.00 -0.30 0.00 0.00 42.92 42.18 1jw3 s ASP 39 CO 0.00 -0.24 2.16 0.00 -0.17 0.00 0.00 175.17 176.92 1jw3 h THR 40 N 0.91 0.67 0.00 1.71 1.03 -1.84 -3.38 112.91 112.02 1jw3 h THR 40 Ca -0.50 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1jw3 h THR 40 Cb 1.22 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 1jw3 h THR 40 CO 0.62 0.00 0.00 -1.20 -0.01 0.00 0.00 175.52 174.93 1jw3 n SER 41 N -4.09 0.00 -1.52 0.00 7.64 -1.26 -2.75 113.62 111.64 1jw3 n SER 41 Ca -0.01 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.84 1jw3 n SER 41 Cb 0.20 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.39 1jw3 n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jw3 n LEU 42 N 0.00 -0.44 -4.25 -3.43 -0.00 -1.26 -5.07 117.00 102.55 1jw3 n LEU 42 Ca 0.00 -2.27 -0.40 0.00 -0.00 0.00 0.00 56.01 53.33 1jw3 n LEU 42 Cb 0.00 0.05 -0.09 0.00 -0.00 0.00 0.00 43.42 43.38 1jw3 n LEU 42 CO 0.00 1.28 -0.07 -0.69 -0.00 0.00 0.00 177.39 177.90 1jw3 s VAL 43 N -0.25 4.23 -0.68 1.47 1.01 -1.11 -5.03 120.40 120.04 1jw3 s VAL 43 Ca 0.11 -1.55 -0.09 0.00 0.00 0.00 0.00 61.98 60.46 1jw3 s VAL 43 Cb 0.19 -3.67 0.18 0.00 0.00 0.00 0.00 36.38 33.08 1jw3 s VAL 43 CO -0.06 -0.61 0.56 -1.61 0.00 0.00 0.00 175.10 173.38 1jw3 s GLU 44 N 1.40 3.00 -1.19 2.72 2.02 -1.26 -4.76 118.70 120.62 1jw3 s GLU 44 Ca 0.04 -2.37 -0.32 0.00 0.02 0.00 0.00 54.97 52.34 1jw3 s GLU 44 Cb -0.24 -4.07 0.04 0.00 0.10 0.00 0.00 34.13 29.96 1jw3 s GLU 44 CO 0.01 -1.23 0.69 0.00 0.02 0.00 0.00 175.26 174.75 1jw3 n ALA 45 N 3.95 -2.62 0.21 5.21 0.00 -1.26 -4.84 120.51 121.16 1jw3 n ALA 45 Ca 0.07 -0.54 0.10 0.00 0.00 0.00 0.00 53.44 53.07 1jw3 n ALA 45 Cb 0.42 -2.71 0.35 0.00 0.00 0.00 0.00 19.45 17.51 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 1.55 0.94 -2.79 0.00 0.00 -1.85 -3.41 119.26 113.70 1jw3 h ALA 46 Ca -0.71 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 53.90 1jw3 h ALA 46 Cb 1.40 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 1jw3 h ALA 46 CO 0.51 0.26 -0.23 -1.83 0.00 0.00 0.00 179.25 177.96 1jw3 s GLU 47 N -3.43 1.51 -0.07 0.00 4.04 -1.26 -4.89 118.70 114.61 1jw3 s GLU 47 Ca 0.03 -1.38 -0.03 0.00 0.04 0.00 0.00 54.97 53.63 1jw3 s GLU 47 Cb 0.08 0.43 0.04 0.00 0.02 0.00 0.00 34.13 34.70 1jw3 s GLU 47 CO 0.65 -0.60 0.12 -2.00 -1.84 0.00 0.00 175.26 171.59 1jw3 s GLU 48 N -3.96 0.01 0.01 -4.83 2.12 -1.25 -1.89 118.70 108.90 1jw3 s GLU 48 Ca 0.27 0.46 0.08 0.00 0.36 0.00 0.00 54.97 56.14 1jw3 s GLU 48 Cb 0.01 -0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.06 1jw3 s GLU 48 CO 0.11 -0.28 -0.25 -0.98 -0.54 0.00 0.00 175.26 173.32 1jw3 s ARG 49 N 2.01 1.86 -0.00 4.30 1.70 0.26 -4.93 118.95 124.15 1jw3 s ARG 49 Ca 0.01 -0.96 0.05 0.00 -0.47 0.00 0.00 55.73 54.36 1jw3 s ARG 49 Cb -0.12 -1.90 -0.03 0.00 -0.57 0.00 0.00 34.95 32.33 1jw3 s ARG 49 CO -0.05 0.51 -0.14 1.03 -1.08 0.00 0.00 175.30 175.56 1jw3 s ARG 50 N -0.86 2.33 0.03 3.89 0.52 -1.26 0.33 118.95 123.93 1jw3 s ARG 50 Ca 0.10 -0.82 0.04 0.00 -0.52 0.00 0.00 55.73 54.53 1jw3 s ARG 50 Cb -0.10 -2.32 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 1jw3 s ARG 50 CO 0.00 0.58 -0.13 0.08 0.02 0.00 0.00 175.30 175.86 1jw3 s VAL 51 N -0.87 1.04 -0.02 3.52 1.01 0.35 -4.97 120.40 120.46 1jw3 s VAL 51 Ca 0.14 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1jw3 s VAL 51 Cb -0.11 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1jw3 s VAL 51 CO 0.04 0.04 -0.18 -1.61 0.00 0.00 0.00 175.10 173.39 1jw3 s GLU 52 N -0.97 1.58 0.01 2.72 2.02 -1.26 -0.23 118.70 122.56 1jw3 s GLU 52 Ca 0.02 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1jw3 s GLU 52 Cb -0.07 -1.48 -0.01 0.00 0.10 0.00 0.00 34.13 32.67 1jw3 s GLU 52 CO 0.01 0.36 -0.01 0.42 0.02 0.00 0.00 175.26 176.06 1jw3 s ILE 53 N -0.32 0.04 -0.22 -1.63 1.01 0.32 -4.95 121.20 115.44 1jw3 s ILE 53 Ca 0.04 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1jw3 s ILE 53 Cb -0.08 -0.10 0.05 0.00 0.01 0.00 0.00 42.46 42.33 1jw3 s ILE 53 CO 0.00 -0.19 -0.11 -0.89 0.00 0.00 0.00 174.94 173.75 1jw3 s THR 54 N -0.54 1.88 0.30 2.92 2.01 -1.26 0.19 115.64 121.14 1jw3 s THR 54 Ca -0.06 -1.27 0.09 0.00 0.31 0.00 0.00 61.69 60.76 1jw3 s THR 54 Cb -0.04 -1.96 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 1jw3 s THR 54 CO -0.00 0.10 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.49 1jw3 s SER 55 N 1.27 3.26 -0.13 3.53 0.01 0.59 -4.94 113.70 117.29 1jw3 s SER 55 Ca -0.04 -1.16 0.24 0.00 1.31 0.00 0.00 55.95 56.30 1jw3 s SER 55 Cb -0.18 -0.26 0.47 0.00 0.21 0.00 0.00 66.02 66.27 1jw3 s SER 55 CO -0.07 -0.23 1.14 -0.62 0.41 0.00 0.00 173.24 173.87 1jw3 n GLU 56 N -0.66 0.89 -0.13 12.44 1.02 -1.26 0.25 120.64 133.18 1jw3 n GLU 56 Ca -0.05 -2.77 0.00 0.00 -0.02 0.00 0.00 57.16 54.31 1jw3 n GLU 56 Cb 0.63 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 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 -0.06 0.00 0.00 1.62 -0.08 -1.26 -4.93 116.55 111.83 1jw3 n ASP 57 Ca 0.06 -0.69 0.00 0.00 -1.51 0.00 0.00 54.79 52.65 1jw3 n ASP 57 Cb 0.97 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.43 1jw3 n ASP 57 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1jw3 n ARG 58 N 0.00 0.00 -0.33 -0.67 1.74 -1.26 -4.08 116.66 112.05 1jw3 n ARG 58 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 1jw3 n ARG 58 Cb 0.35 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.08 1jw3 n ARG 58 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1jw3 h VAL 59 N 0.00 0.87 -0.62 1.55 -1.51 -1.97 -0.26 116.25 114.32 1jw3 h VAL 59 Ca 0.00 -0.30 -0.04 0.00 -1.23 0.00 0.00 66.70 65.13 1jw3 h VAL 59 Cb 0.00 -0.09 -0.03 0.00 -2.13 0.00 0.00 31.29 29.05 1jw3 h VAL 59 CO 0.00 0.16 0.22 0.28 -1.23 0.00 0.00 177.57 177.00 1jw3 h SER 60 N 0.88 0.84 -0.84 4.19 0.02 -1.96 -1.67 113.55 115.01 1jw3 h SER 60 Ca 0.49 -0.12 0.15 0.00 -0.84 0.00 0.00 61.79 61.47 1jw3 h SER 60 Cb 0.60 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 1jw3 h SER 60 CO -0.26 0.77 0.55 0.25 -1.14 0.00 0.00 176.83 177.00 1jw3 h LEU 61 N 0.89 0.54 -0.23 5.07 7.12 -1.37 0.14 115.31 127.48 1jw3 h LEU 61 Ca 0.21 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.24 1jw3 h LEU 61 Cb 0.21 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 1jw3 h LEU 61 CO -0.01 0.27 0.11 -0.07 -0.13 0.00 0.00 178.44 178.61 1jw3 h LEU 62 N 0.57 0.30 -1.65 2.25 -0.00 -1.23 0.90 115.31 116.46 1jw3 h LEU 62 Ca 0.42 -0.12 0.18 0.00 -0.00 0.00 0.00 57.88 58.36 1jw3 h LEU 62 Cb 0.80 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 41.33 1jw3 h LEU 62 CO -0.17 0.34 0.54 1.88 -0.00 0.00 0.00 178.44 181.03 1jw3 h TYR 63 N 0.24 0.40 0.00 1.13 -1.99 -0.64 0.11 116.97 116.21 1jw3 h TYR 63 Ca 0.08 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.82 1jw3 h TYR 63 Cb 0.12 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1jw3 h TYR 63 CO -0.02 0.13 -0.97 -0.25 -0.00 0.00 0.00 178.16 177.04 1jw3 n ASP 64 N -4.46 0.62 0.09 3.88 9.92 -0.59 -3.24 116.55 122.78 1jw3 n ASP 64 Ca 0.16 -0.21 -0.10 0.00 -0.53 0.00 0.00 54.79 54.11 1jw3 n ASP 64 Cb 0.64 0.73 -0.07 0.00 -0.64 0.00 0.00 41.12 41.79 1jw3 n ASP 64 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1jw3 h TRP 65 N 0.00 -0.28 -0.03 1.24 0.09 0.35 -3.09 115.95 114.22 1jw3 h TRP 65 Ca 0.00 -0.01 -0.16 0.00 0.09 0.00 0.00 58.89 58.81 1jw3 h TRP 65 Cb 0.72 0.09 0.01 0.00 0.08 0.00 0.00 29.16 30.06 1jw3 h TRP 65 CO 0.00 0.09 -0.62 1.25 0.09 0.00 0.00 178.44 179.25 1jw3 h LEU 66 N -0.92 0.60 -1.50 0.11 6.46 -1.70 -3.09 115.31 115.27 1jw3 h LEU 66 Ca -0.03 -0.72 0.25 0.00 -0.12 0.00 0.00 57.88 57.26 1jw3 h LEU 66 Cb 0.49 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.16 1jw3 h LEU 66 CO 0.05 1.24 0.65 -0.78 -0.62 0.00 0.00 178.44 178.98 1jw3 h ASP 67 N 0.02 0.38 -0.28 1.25 1.82 -1.70 0.63 116.42 118.54 1jw3 h ASP 67 Ca -0.07 0.06 -0.06 0.00 -0.39 0.00 0.00 57.03 56.57 1jw3 h ASP 67 Cb 1.30 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.29 1jw3 h ASP 67 CO 0.12 0.11 -0.07 -0.08 -1.61 0.00 0.00 179.24 177.71 1jw3 h GLU 68 N 0.35 0.55 -0.11 0.28 4.81 -1.52 -2.91 114.58 116.03 1jw3 h GLU 68 Ca 0.53 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.48 1jw3 h GLU 68 Cb 1.44 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1jw3 h GLU 68 CO -0.21 0.75 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.47 1jw3 h LEU 69 N 0.30 0.20 -0.16 1.64 4.07 0.07 -2.35 115.31 119.08 1jw3 h LEU 69 Ca 0.07 -0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.02 1jw3 h LEU 69 Cb 0.55 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.18 1jw3 h LEU 69 CO 0.03 0.48 -0.19 0.25 -1.08 0.00 0.00 178.44 177.93 1jw3 h LEU 70 N 0.18 -0.58 -0.18 1.67 5.85 0.12 1.04 115.31 123.41 1jw3 h LEU 70 Ca 0.03 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1jw3 h LEU 70 Cb 0.59 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1jw3 h LEU 70 CO 0.04 -0.23 -0.34 0.15 -0.34 0.00 0.00 178.44 177.72 1jw3 h PHE 71 N -0.22 0.69 -0.38 1.25 3.57 -1.53 -3.17 116.94 117.15 1jw3 h PHE 71 Ca 0.11 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 1jw3 h PHE 71 Cb 0.38 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1jw3 h PHE 71 CO -0.31 0.98 0.14 0.82 -2.23 0.00 0.00 178.31 177.71 1jw3 h ILE 72 N 0.20 1.15 -0.35 1.41 2.04 -1.10 -2.31 117.51 118.55 1jw3 h ILE 72 Ca 0.01 -0.48 0.08 0.00 1.00 0.00 0.00 64.86 65.46 1jw3 h ILE 72 Cb 0.94 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 1jw3 h ILE 72 CO 0.08 0.18 -0.25 -0.74 0.00 0.00 0.00 178.15 177.42 1jw3 h HIS 73 N 0.53 -0.67 -0.03 1.37 2.76 0.12 0.38 115.15 119.61 1jw3 h HIS 73 Ca 0.13 0.05 -0.16 0.00 -2.20 0.00 0.00 60.37 58.18 1jw3 h HIS 73 Cb 0.13 0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 1jw3 h HIS 73 CO 0.01 -0.33 -0.71 0.22 -1.30 0.00 0.00 177.93 175.82 1jw3 h ASP 74 N -0.21 0.22 0.38 3.26 3.58 -1.64 1.26 116.42 123.28 1jw3 h ASP 74 Ca 0.17 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1jw3 h ASP 74 Cb 0.48 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1jw3 h ASP 74 CO -0.47 0.86 0.00 0.74 -2.88 0.00 0.00 179.24 177.49 1jw3 h THR 75 N 0.12 0.00 -0.14 2.25 2.02 -0.61 -3.33 112.91 113.22 1jw3 h THR 75 Ca -0.02 -0.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.83 1jw3 h THR 75 Cb 1.26 1.09 -0.14 0.00 -1.74 0.00 0.00 68.15 68.62 1jw3 h THR 75 CO 0.11 0.00 -0.34 -0.62 0.37 0.00 0.00 175.52 175.03 1jw3 n GLU 76 N -2.90 0.53 -1.55 6.66 1.02 0.12 -5.06 120.64 119.45 1jw3 n GLU 76 Ca -0.01 -1.43 -0.20 0.00 -0.02 0.00 0.00 57.16 55.50 1jw3 n GLU 76 Cb 0.15 -1.03 -0.07 0.00 -0.02 0.00 0.00 31.44 30.47 1jw3 n GLU 76 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jw3 n PHE 77 N 1.85 1.13 -4.73 -0.32 7.35 0.43 -4.67 117.46 118.49 1jw3 n PHE 77 Ca 0.08 0.03 -0.33 0.00 -0.76 0.00 0.00 57.45 56.47 1jw3 n PHE 77 Cb 0.64 -2.46 -0.13 0.00 0.35 0.00 0.00 39.48 37.88 1jw3 n PHE 77 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1jw3 s ILE 78 N 12.96 3.37 0.00 -2.13 -4.36 -1.26 -4.02 121.20 125.75 1jw3 s ILE 78 Ca 0.99 -0.59 0.00 0.00 -0.26 0.00 0.00 60.65 60.79 1jw3 s ILE 78 Cb -0.23 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.11 1jw3 s ILE 78 CO 0.18 0.57 0.57 0.18 0.24 0.00 0.00 174.94 176.68 1jw3 n LEU 79 N 2.62 0.36 -4.33 0.37 7.99 -1.26 -4.87 117.00 117.87 1jw3 n LEU 79 Ca -0.18 0.64 -0.29 0.00 -0.01 0.00 0.00 56.01 56.17 1jw3 n LEU 79 Cb 0.53 -0.26 -0.14 0.00 -0.11 0.00 0.00 43.42 43.43 1jw3 n LEU 79 CO 0.28 -0.26 -0.56 0.12 -1.51 0.00 0.00 177.39 175.45 1jw3 s PHE 80 N -1.67 2.20 0.17 -1.77 2.19 -1.25 -4.56 117.98 113.28 1jw3 s PHE 80 Ca 0.00 -0.40 -0.16 0.00 0.33 0.00 0.00 56.93 56.70 1jw3 s PHE 80 Cb 0.00 -1.30 0.03 0.00 -1.31 0.00 0.00 43.02 40.43 1jw3 s PHE 80 CO 0.00 0.14 0.46 -1.54 1.83 0.00 0.00 175.22 176.10 1jw3 s SER 81 N -1.31 -0.22 0.31 6.13 1.04 -1.26 -4.51 113.70 113.88 1jw3 s SER 81 Ca 0.11 -0.46 -0.25 0.00 0.48 0.00 0.00 55.95 55.83 1jw3 s SER 81 Cb -0.10 0.53 -0.10 0.00 0.10 0.00 0.00 66.02 66.45 1jw3 s SER 81 CO 0.02 -0.97 0.91 -0.54 0.98 0.00 0.00 173.24 173.65 1jw3 s LYS 82 N -3.86 4.52 -0.16 4.02 1.02 -0.30 -4.89 119.74 120.09 1jw3 s LYS 82 Ca 0.08 1.25 0.02 0.00 0.02 0.00 0.00 55.97 57.34 1jw3 s LYS 82 Cb 0.00 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1jw3 s LYS 82 CO -0.06 0.28 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.38 1jw3 s PHE 83 N -1.63 2.72 -0.04 3.18 0.40 -1.26 -3.34 117.98 117.99 1jw3 s PHE 83 Ca 0.50 -1.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.38 1jw3 s PHE 83 Cb -0.18 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.51 1jw3 s PHE 83 CO 0.23 -0.69 -0.09 -1.59 0.70 0.00 0.00 175.22 173.78 1jw3 s LYS 84 N 1.01 1.16 0.06 0.44 -2.85 -0.87 -4.97 119.74 113.72 1jw3 s LYS 84 Ca -0.02 -0.27 0.05 0.00 -1.00 0.00 0.00 55.97 54.72 1jw3 s LYS 84 Cb -0.14 -1.05 -0.03 0.00 -2.06 0.00 0.00 37.83 34.55 1jw3 s LYS 84 CO -0.06 0.02 -0.14 0.54 0.10 0.00 0.00 175.35 175.81 1jw3 s VAL 85 N 0.59 1.07 -0.12 1.79 0.11 -1.25 0.66 120.40 123.25 1jw3 s VAL 85 Ca -0.10 -1.24 -0.01 0.00 -2.93 0.00 0.00 61.98 57.71 1jw3 s VAL 85 Cb -0.13 -1.02 0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1jw3 s VAL 85 CO 0.02 -0.20 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.78 1jw3 s LYS 86 N -1.63 1.37 -0.18 1.54 2.47 1.61 -4.89 119.74 120.03 1jw3 s LYS 86 Ca -0.02 -0.26 -0.03 0.00 -1.56 0.00 0.00 55.97 54.10 1jw3 s LYS 86 Cb -0.10 -1.59 -0.02 0.00 -1.46 0.00 0.00 37.83 34.66 1jw3 s LYS 86 CO 0.02 -0.31 -0.05 0.42 0.16 0.00 0.00 175.35 175.59 1jw3 s ILE 87 N 1.73 3.58 -0.08 5.43 1.01 -1.26 0.31 121.20 131.92 1jw3 s ILE 87 Ca 0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 1jw3 s ILE 87 Cb -0.13 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.77 1jw3 s ILE 87 CO -0.08 0.46 -0.04 -1.81 0.00 0.00 0.00 174.94 173.47 1jw3 s ASP 88 N 0.90 1.69 -0.35 3.58 1.01 0.32 -4.96 116.67 118.86 1jw3 s ASP 88 Ca -0.01 -0.18 -0.29 0.00 0.71 0.00 0.00 52.55 52.78 1jw3 s ASP 88 Cb -0.15 -0.60 0.02 0.00 1.01 0.00 0.00 42.92 43.20 1jw3 s ASP 88 CO 0.01 -0.13 1.15 -1.61 0.21 0.00 0.00 175.17 174.80 1jw3 s GLU 89 N 1.63 3.95 0.00 8.23 2.02 -1.26 0.90 118.70 134.17 1jw3 s GLU 89 Ca 0.01 1.00 0.00 0.00 0.02 0.00 0.00 54.97 56.01 1jw3 s GLU 89 Cb -0.13 -3.81 0.00 0.00 0.10 0.00 0.00 34.13 30.29 1jw3 s GLU 89 CO -0.05 -1.07 0.00 1.63 0.02 0.00 0.00 175.26 175.80 1jw3 n LYS 90 N 7.20 -0.49 0.00 1.61 4.76 0.11 -4.78 118.16 126.57 1jw3 n LYS 90 Ca 0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1jw3 n LYS 90 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1jw3 n LYS 90 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1jw3 n ASP 91 N -2.93 0.00 0.00 4.39 2.03 -1.26 -3.96 116.55 114.81 1jw3 n ASP 91 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1jw3 n ASP 91 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1jw3 n ASP 91 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1jw3 n ASP 92 N -0.58 0.00 -1.13 1.67 5.75 -1.26 -5.15 116.55 115.85 1jw3 n ASP 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jw3 n ASP 92 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1jw3 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jw3 n GLY 93 N 0.00 1.10 2.99 6.12 0.00 -1.25 -5.01 105.19 109.14 1jw3 n GLY 93 Ca 0.00 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 1jw3 n GLY 93 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jw3 s LEU 94 N 0.00 2.09 0.03 0.99 0.05 0.70 0.06 118.68 122.59 1jw3 s LEU 94 Ca 0.00 -0.24 0.06 0.00 0.05 0.00 0.00 54.13 54.00 1jw3 s LEU 94 Cb 0.00 -0.24 -0.02 0.00 -2.05 0.00 0.00 46.19 43.88 1jw3 s LEU 94 CO 0.00 -0.02 -0.17 -2.28 -0.55 0.00 0.00 176.35 173.33 1jw3 s HIS 95 N -0.52 1.51 -0.05 3.48 5.65 0.26 0.22 115.29 125.84 1jw3 s HIS 95 Ca -0.02 -0.34 0.05 0.00 0.25 0.00 0.00 55.06 55.01 1jw3 s HIS 95 Cb -0.05 -0.92 -0.01 0.00 -1.18 0.00 0.00 32.58 30.43 1jw3 s HIS 95 CO -0.00 0.04 -0.22 -1.17 -0.65 0.00 0.00 174.74 172.74 1jw3 s LEU 96 N -0.94 2.01 -0.15 8.88 0.20 0.50 0.12 118.68 129.30 1jw3 s LEU 96 Ca 0.05 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.43 1jw3 s LEU 96 Cb -0.08 -1.20 0.02 0.00 -0.43 0.00 0.00 46.19 44.50 1jw3 s LEU 96 CO 0.01 0.21 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.26 1jw3 s THR 97 N -0.11 1.51 0.10 3.68 2.01 0.92 0.12 115.64 123.86 1jw3 s THR 97 Ca -0.03 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.44 1jw3 s THR 97 Cb -0.13 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1jw3 s THR 97 CO 0.03 0.42 -0.24 -0.83 -0.69 0.00 0.00 174.62 173.31 1jw3 s GLY 98 N 1.51 1.39 0.01 4.40 0.00 0.68 0.46 107.32 115.76 1jw3 s GLY 98 Ca 0.04 -1.32 0.05 0.00 0.00 0.00 0.00 44.72 43.50 1jw3 s GLY 98 CO -0.10 -1.28 -0.16 -1.59 0.00 0.00 0.00 173.10 169.96 1jw3 s THR 99 N -1.02 1.28 -0.04 0.90 2.01 0.21 0.13 115.64 119.12 1jw3 s THR 99 Ca 0.10 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1jw3 s THR 99 Cb -0.10 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.33 1jw3 s THR 99 CO 0.04 0.24 -0.05 0.00 -0.69 0.00 0.00 174.62 174.17 1jw3 s ALA 100 N -0.56 0.64 0.10 7.40 0.00 0.15 -2.05 121.76 127.44 1jw3 s ALA 100 Ca 0.05 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.98 1jw3 s ALA 100 Cb -0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1jw3 s ALA 100 CO 0.00 0.02 -0.11 -1.64 0.00 0.00 0.00 175.76 174.03 1jw3 s MET 101 N 0.74 0.90 0.00 0.00 -1.94 -1.21 0.91 119.30 118.69 1jw3 s MET 101 Ca -0.10 -1.19 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 1jw3 s MET 101 Cb -0.13 -0.63 0.00 0.00 2.01 0.00 0.00 34.83 36.08 1jw3 s MET 101 CO 0.00 0.11 0.00 0.41 -0.01 0.00 0.00 175.02 175.53 1jw3 n GLY 102 N 0.53 1.12 3.59 -0.03 0.00 -0.79 -1.14 105.19 108.46 1jw3 n GLY 102 Ca -0.16 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.32 3.92 0.00 1.61 -6.30 -1.26 -4.52 118.70 110.83 1jw3 s GLU 103 Ca 0.00 -0.16 0.00 0.00 -2.50 0.00 0.00 54.97 52.31 1jw3 s GLU 103 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 34.13 30.45 1jw3 s GLU 103 CO 0.00 -0.28 0.00 0.39 0.02 0.00 0.00 175.26 175.39 1jw3 n GLU 104 N 5.23 0.00 -2.30 4.30 1.02 -1.26 -4.48 120.64 123.15 1jw3 n GLU 104 Ca -0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 1jw3 n GLU 104 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.90 1jw3 n GLU 104 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1jw3 s ILE 105 N 0.00 4.00 -0.03 -3.67 2.07 -1.26 -4.85 121.20 117.46 1jw3 s ILE 105 Ca 0.00 1.28 -0.00 0.00 -1.41 0.00 0.00 60.65 60.52 1jw3 s ILE 105 Cb 0.00 -3.83 -0.04 0.00 0.13 0.00 0.00 42.46 38.73 1jw3 s ILE 105 CO 0.00 -0.06 0.02 -0.75 -1.91 0.00 0.00 174.94 172.24 1jw3 s LYS 106 N 3.06 2.91 0.02 3.50 2.47 -1.26 -5.06 119.74 125.39 1jw3 s LYS 106 Ca 0.61 -0.51 -0.33 0.00 -1.56 0.00 0.00 55.97 54.17 1jw3 s LYS 106 Cb -0.27 -2.75 -0.12 0.00 -1.46 0.00 0.00 37.83 33.23 1jw3 s LYS 106 CO 0.22 0.66 1.79 0.39 0.16 0.00 0.00 175.35 178.56 1jw3 n GLU 107 N 1.61 2.28 -0.81 4.03 -0.58 -1.26 -2.19 120.64 123.73 1jw3 n GLU 107 Ca -0.16 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1jw3 n GLU 107 Cb 0.53 -2.67 0.00 0.00 -0.57 0.00 0.00 31.44 28.73 1jw3 n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jw3 n GLY 108 N 4.08 1.30 3.66 0.62 0.00 -1.26 -5.06 105.19 108.53 1jw3 n GLY 108 Ca 0.20 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1jw3 n GLY 108 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jw3 n HIS 109 N -1.93 0.89 -1.45 1.61 1.44 -0.93 -4.86 115.22 109.98 1jw3 n HIS 109 Ca 0.00 0.39 -0.47 0.00 -2.01 0.00 0.00 57.72 55.63 1jw3 n HIS 109 Cb 0.19 -2.05 -0.02 0.00 0.12 0.00 0.00 29.99 28.23 1jw3 n HIS 109 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1jw3 n GLU 110 N -3.32 0.40 -3.30 -1.40 2.13 -1.26 -4.92 120.64 108.96 1jw3 n GLU 110 Ca 0.13 0.14 -0.38 0.00 0.66 0.00 0.00 57.16 57.70 1jw3 n GLU 110 Cb 0.51 -1.25 -0.06 0.00 0.27 0.00 0.00 31.44 30.91 1jw3 n GLU 110 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1jw3 s ARG 111 N -1.17 4.22 0.25 5.31 1.81 -1.26 -4.69 118.95 123.42 1jw3 s ARG 111 Ca 0.62 0.61 -0.20 0.00 -1.72 0.00 0.00 55.73 55.04 1jw3 s ARG 111 Cb -0.86 -3.32 0.07 0.00 -0.45 0.00 0.00 34.95 30.40 1jw3 s ARG 111 CO 0.57 0.44 0.96 0.50 -0.68 0.00 0.00 175.30 177.09 1jw3 s ARG 112 N -0.37 1.63 -0.15 3.54 3.52 -1.26 -5.02 118.95 120.84 1jw3 s ARG 112 Ca 0.28 -1.05 -0.20 0.00 -0.13 0.00 0.00 55.73 54.63 1jw3 s ARG 112 Cb -0.17 0.45 -0.03 0.00 -1.56 0.00 0.00 34.95 33.64 1jw3 s ARG 112 CO 0.15 -0.76 0.59 0.16 -0.81 0.00 0.00 175.30 174.63 1jw3 s ASP 113 N -3.31 6.74 0.04 -2.12 1.47 -1.26 -5.01 116.67 113.22 1jw3 s ASP 113 Ca 0.20 0.90 0.08 0.00 1.18 0.00 0.00 52.55 54.91 1jw3 s ASP 113 Cb -0.03 -2.34 -0.03 0.00 -0.34 0.00 0.00 42.92 40.18 1jw3 s ASP 113 CO 0.07 -0.15 -0.24 -1.61 0.68 0.00 0.00 175.17 173.93 1jw3 s GLU 114 N 1.27 1.63 -0.36 2.11 2.02 -1.26 -4.43 118.70 119.67 1jw3 s GLU 114 Ca 0.30 -1.01 -0.28 0.00 0.02 0.00 0.00 54.97 53.99 1jw3 s GLU 114 Cb -0.16 -1.76 -0.01 0.00 0.10 0.00 0.00 34.13 32.30 1jw3 s GLU 114 CO 0.12 0.45 1.71 0.14 0.02 0.00 0.00 175.26 177.70 1jw3 s VAL 115 N -0.78 3.57 0.64 2.63 -7.23 -1.26 -4.83 120.40 113.14 1jw3 s VAL 115 Ca 0.10 0.57 0.19 0.00 -1.81 0.00 0.00 61.98 61.03 1jw3 s VAL 115 Cb -0.09 -3.79 0.19 0.00 0.56 0.00 0.00 36.38 33.25 1jw3 s VAL 115 CO 0.02 -0.52 1.57 0.11 -0.31 0.00 0.00 175.10 175.97 1jw3 h LYS 116 N 12.43 0.00 -1.98 4.82 1.79 -0.67 -3.34 116.57 129.62 1jw3 h LYS 116 Ca -0.32 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.95 1jw3 h LYS 116 Cb 1.15 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 31.50 1jw3 h LYS 116 CO 1.05 0.00 -0.53 0.00 -1.08 0.00 0.00 179.45 178.89 1jw3 s ALA 117 N -4.02 -0.92 -0.54 3.86 0.00 -1.08 -5.05 121.76 114.01 1jw3 s ALA 117 Ca -0.02 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.22 1jw3 s ALA 117 Cb 0.05 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.50 1jw3 s ALA 117 CO 0.17 -1.39 1.13 0.54 0.00 0.00 0.00 175.76 176.21 1jw3 s VAL 118 N 2.49 4.15 -0.18 0.00 0.11 -1.25 -0.39 120.40 125.32 1jw3 s VAL 118 Ca 0.11 0.90 -0.01 0.00 -2.93 0.00 0.00 61.98 60.05 1jw3 s VAL 118 Cb -0.15 -4.65 0.00 0.00 -1.53 0.00 0.00 36.38 30.06 1jw3 s VAL 118 CO -0.20 -1.19 -0.14 -0.89 -3.33 0.00 0.00 175.10 169.36 1jw3 s THR 119 N 4.60 2.65 -0.46 5.04 2.01 -1.26 -4.92 115.64 123.31 1jw3 s THR 119 Ca 0.42 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.42 1jw3 s THR 119 Cb -0.08 -2.15 -0.24 0.00 0.01 0.00 0.00 72.50 70.04 1jw3 s THR 119 CO 0.27 0.50 1.78 2.22 -0.69 0.00 0.00 174.62 178.70 1jw3 n PHE 120 N 4.44 1.09 0.03 4.92 1.16 -1.26 -3.96 117.46 123.88 1jw3 n PHE 120 Ca -0.19 -1.27 -0.19 0.00 -1.87 0.00 0.00 57.45 53.92 1jw3 n PHE 120 Cb 0.51 -1.31 -0.12 0.00 -1.61 0.00 0.00 39.48 36.95 1jw3 n PHE 120 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1jw3 h HIS 121 N 8.70 0.67 0.00 2.97 2.76 -1.86 -3.42 115.15 124.97 1jw3 h HIS 121 Ca 0.35 -0.39 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1jw3 h HIS 121 Cb 0.66 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1jw3 h HIS 121 CO 1.17 1.24 -0.24 -1.33 -1.30 0.00 0.00 177.93 177.46 1jw3 n MET 122 N -4.13 0.13 -3.16 5.26 2.81 -1.26 -4.84 117.12 111.94 1jw3 n MET 122 Ca -0.11 0.07 -0.17 0.00 -1.81 0.00 0.00 57.70 55.68 1jw3 n MET 122 Cb 0.75 -0.75 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1jw3 n MET 122 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jw3 n MET 123 N -2.98 -1.00 -3.64 0.03 3.85 0.69 -4.92 117.12 109.15 1jw3 n MET 123 Ca -0.03 0.54 -0.08 0.00 -1.00 0.00 0.00 57.70 57.12 1jw3 n MET 123 Cb 0.13 -1.33 -0.07 0.00 -1.05 0.00 0.00 33.22 30.89 1jw3 n MET 123 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1jw3 s GLU 124 N -3.39 0.63 -0.30 3.17 2.02 -1.17 -4.30 118.70 115.36 1jw3 s GLU 124 Ca 0.05 0.92 -0.10 0.00 0.02 0.00 0.00 54.97 55.86 1jw3 s GLU 124 Cb -0.00 0.21 -0.01 0.00 0.10 0.00 0.00 34.13 34.42 1jw3 s GLU 124 CO 0.55 -0.10 0.15 0.42 0.02 0.00 0.00 175.26 176.30 1jw3 s ILE 125 N 0.98 4.68 -0.13 -1.63 1.01 -1.26 -2.69 121.20 122.16 1jw3 s ILE 125 Ca -0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 1jw3 s ILE 125 Cb -0.05 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1jw3 s ILE 125 CO -0.11 0.11 0.06 -1.48 0.00 0.00 0.00 174.94 173.53 1jw3 s LEU 126 N 1.64 3.90 -0.23 2.97 -0.00 -0.41 -4.79 118.68 121.75 1jw3 s LEU 126 Ca 0.05 0.22 -0.16 0.00 -0.00 0.00 0.00 54.13 54.24 1jw3 s LEU 126 Cb -0.17 -1.94 -0.04 0.00 -0.00 0.00 0.00 46.19 44.05 1jw3 s LEU 126 CO 0.07 0.32 0.42 -1.81 -0.00 0.00 0.00 176.35 175.34 1jw3 s ASP 127 N -0.52 6.39 -0.11 1.48 1.11 -1.26 -1.99 116.67 121.77 1jw3 s ASP 127 Ca 0.10 0.46 0.02 0.00 0.18 0.00 0.00 52.55 53.31 1jw3 s ASP 127 Cb -0.12 -2.24 0.01 0.00 1.07 0.00 0.00 42.92 41.65 1jw3 s ASP 127 CO 0.02 -0.15 -0.17 -0.70 1.18 0.00 0.00 175.17 175.36 1jw3 s GLU 128 N 1.72 2.38 -2.03 8.23 2.12 0.25 -4.69 118.70 126.68 1jw3 s GLU 128 Ca 0.18 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1jw3 s GLU 128 Cb -0.15 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.24 1jw3 s GLU 128 CO 0.09 -0.05 0.00 -0.25 -0.54 0.00 0.00 175.26 174.51 1jw3 n ASP 129 N 4.17 -5.19 0.00 -1.70 8.00 -1.26 0.41 116.55 120.98 1jw3 n ASP 129 Ca -0.19 0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1jw3 n ASP 129 Cb 0.51 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 1jw3 n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jw3 n GLY 130 N -0.43 0.73 3.88 0.44 0.00 -1.26 -5.05 105.19 103.50 1jw3 n GLY 130 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 4.28 -0.14 0.99 1.43 0.17 -5.00 118.68 120.40 1jw3 s LEU 131 Ca 0.00 0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1jw3 s LEU 131 Cb 0.00 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1jw3 s LEU 131 CO 0.00 0.28 0.09 0.27 0.23 0.00 0.00 176.35 177.22 1jw3 s ILE 132 N -1.26 5.05 -0.01 -0.59 -0.00 -1.26 0.86 121.20 123.99 1jw3 s ILE 132 Ca 0.25 0.05 0.02 0.00 -0.00 0.00 0.00 60.65 60.96 1jw3 s ILE 132 Cb -0.12 -3.22 0.00 0.00 -0.00 0.00 0.00 42.46 39.12 1jw3 s ILE 132 CO 0.16 0.55 -0.06 -0.54 -0.00 0.00 0.00 174.94 175.05 1jw3 s LYS 133 N -0.46 0.62 0.06 0.37 1.02 -0.84 0.20 119.74 120.71 1jw3 s LYS 133 Ca 0.11 -0.21 0.04 0.00 0.02 0.00 0.00 55.97 55.93 1jw3 s LYS 133 Cb -0.12 -0.61 -0.04 0.00 -0.52 0.00 0.00 37.83 36.54 1jw3 s LYS 133 CO 0.02 0.09 -0.01 0.00 -0.92 0.00 0.00 175.35 174.53 1jw3 s ALA 134 N 0.11 3.26 -0.03 5.17 0.00 0.14 -1.29 121.76 129.11 1jw3 s ALA 134 Ca -0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1jw3 s ALA 134 Cb -0.06 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.87 1jw3 s ALA 134 CO -0.00 0.68 0.04 -0.98 0.00 0.00 0.00 175.76 175.49 1jw3 s ARG 135 N -2.02 0.05 -0.18 0.00 1.70 -1.10 0.11 118.95 117.52 1jw3 s ARG 135 Ca 0.23 0.24 -0.01 0.00 -0.47 0.00 0.00 55.73 55.73 1jw3 s ARG 135 Cb -0.12 -0.46 0.05 0.00 -0.57 0.00 0.00 34.95 33.85 1jw3 s ARG 135 CO 0.15 -0.24 -0.03 0.08 -1.08 0.00 0.00 175.30 174.17 1jw3 s VAL 136 N 1.60 1.03 -0.38 4.99 1.01 -0.94 0.25 120.40 127.97 1jw3 s VAL 136 Ca -0.02 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 1jw3 s VAL 136 Cb -0.13 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1jw3 s VAL 136 CO -0.03 0.03 0.45 -0.63 0.00 0.00 0.00 175.10 174.92 1jw3 s ILE 137 N 1.65 5.07 0.14 2.22 1.01 -1.26 -0.51 121.20 129.53 1jw3 s ILE 137 Ca -0.00 0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.72 1jw3 s ILE 137 Cb -0.16 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1jw3 s ILE 137 CO -0.07 -0.27 0.01 -0.76 0.00 0.00 0.00 174.94 173.84 1jw3 s LEU 138 N 2.23 3.38 0.26 2.97 1.43 0.29 -2.50 118.68 126.74 1jw3 s LEU 138 Ca 0.15 -0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 52.67 1jw3 s LEU 138 Cb -0.16 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 43.90 1jw3 s LEU 138 CO 0.13 0.12 0.89 -1.81 0.23 0.00 0.00 176.35 175.91 1jw3 s ASP 139 N -2.72 7.43 0.00 2.29 1.01 0.47 0.28 116.67 125.43 1jw3 s ASP 139 Ca 0.27 1.80 0.00 0.00 0.71 0.00 0.00 52.55 55.33 1jw3 s ASP 139 Cb -0.10 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1jw3 s ASP 139 CO 0.19 0.07 0.00 -0.11 0.21 0.00 0.00 175.17 175.53