#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgw h LEU 12 N 0.00 -1.18 -0.70 -2.12 3.38 -2.05 -1.42 115.31 111.22 1jgw h LEU 12 Ca 0.00 0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.29 1jgw h LEU 12 Cb 0.00 0.53 -0.13 0.00 0.09 0.00 0.00 40.66 41.15 1jgw h LEU 12 CO 0.00 -0.35 -0.23 0.00 0.09 0.00 0.00 178.44 177.95 1jgw h ALA 13 N 0.55 0.32 -0.16 1.53 0.00 -2.05 0.71 119.26 120.17 1jgw h ALA 13 Ca 0.14 0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1jgw h ALA 13 Cb 0.56 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1jgw h ALA 13 CO -0.50 -0.49 -0.19 1.03 0.00 0.00 0.00 179.25 179.09 1jgw h SER 14 N -0.05 0.26 -0.04 0.00 0.87 -1.86 -2.18 113.55 110.55 1jgw h SER 14 Ca 0.32 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1jgw h SER 14 Cb 0.54 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1jgw h SER 14 CO -0.74 0.47 -0.10 0.25 -0.53 0.00 0.00 176.83 176.18 1jgw h LEU 15 N 0.25 0.16 -0.56 2.23 5.85 0.72 -3.12 115.31 120.84 1jgw h LEU 15 Ca 0.05 -0.60 0.05 0.00 0.84 0.00 0.00 57.88 58.22 1jgw h LEU 15 Cb 0.49 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1jgw h LEU 15 CO 0.03 0.72 0.28 0.00 -0.34 0.00 0.00 178.44 179.13 1jgw h ALA 16 N 0.44 0.72 0.00 1.25 0.00 0.34 -1.69 119.26 120.32 1jgw h ALA 16 Ca -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1jgw h ALA 16 Cb 0.70 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1jgw h ALA 16 CO 0.02 -0.07 -0.38 0.97 0.00 0.00 0.00 179.25 179.79 1jgw h ILE 17 N 0.53 1.10 0.16 0.00 6.09 -1.48 -0.93 117.51 122.99 1jgw h ILE 17 Ca 0.25 -1.36 -0.27 0.00 -1.37 0.00 0.00 64.86 62.11 1jgw h ILE 17 Cb 0.18 1.77 0.03 0.00 0.47 0.00 0.00 36.82 39.27 1jgw h ILE 17 CO -0.18 0.37 -1.17 1.88 -3.07 0.00 0.00 178.15 175.98 1jgw h TYR 18 N 0.00 0.86 -0.98 2.19 0.05 -1.42 -2.98 116.97 114.69 1jgw h TYR 18 Ca -0.00 -0.59 0.04 0.00 0.05 0.00 0.00 58.73 58.23 1jgw h TYR 18 Cb 0.74 -0.05 -0.06 0.00 1.01 0.00 0.00 36.73 38.37 1jgw h TYR 18 CO 0.00 1.44 0.64 0.77 -1.05 0.00 0.00 178.16 179.96 1jgw h SER 19 N 0.05 1.06 -0.21 3.88 0.02 -1.19 -2.09 113.55 115.06 1jgw h SER 19 Ca -0.19 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1jgw h SER 19 Cb 1.88 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.17 1jgw h SER 19 CO 0.22 0.72 0.11 0.15 -1.14 0.00 0.00 176.83 176.90 1jgw h PHE 20 N 1.23 0.29 -0.39 3.45 3.57 -1.18 -1.39 116.94 122.52 1jgw h PHE 20 Ca 0.39 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1jgw h PHE 20 Cb 0.01 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1jgw h PHE 20 CO -0.00 0.27 0.25 -1.49 -2.23 0.00 0.00 178.31 175.11 1jgw h TRP 21 N 0.23 0.50 -0.22 0.41 4.06 -1.26 0.12 115.95 119.79 1jgw h TRP 21 Ca 0.07 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.00 1jgw h TRP 21 Cb 0.08 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.06 1jgw h TRP 21 CO -0.03 0.32 -0.00 0.82 -3.56 0.00 0.00 178.44 175.98 1jgw h ILE 22 N 0.53 1.26 0.44 1.49 2.04 -1.01 -1.76 117.51 120.50 1jgw h ILE 22 Ca 0.14 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1jgw h ILE 22 Cb -0.05 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1jgw h ILE 22 CO -0.03 0.28 -0.29 0.15 0.00 0.00 0.00 178.15 178.25 1jgw h PHE 23 N 0.15 -0.78 -0.82 1.37 3.57 -0.57 -2.12 116.94 117.73 1jgw h PHE 23 Ca 0.06 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.79 1jgw h PHE 23 Cb 0.41 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 1jgw h PHE 23 CO 0.04 -0.45 0.58 1.25 -2.23 0.00 0.00 178.31 177.50 1jgw h LEU 24 N -0.71 0.06 -0.30 0.59 5.85 -0.71 0.31 115.31 120.39 1jgw h LEU 24 Ca -0.05 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.48 1jgw h LEU 24 Cb 0.59 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1jgw h LEU 24 CO 0.03 0.02 -0.67 0.00 -0.34 0.00 0.00 178.44 177.48 1jgw h ALA 25 N 1.60 0.46 -0.17 1.25 0.00 -0.77 -2.26 119.26 119.37 1jgw h ALA 25 Ca 0.40 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1jgw h ALA 25 Cb 1.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1jgw h ALA 25 CO -0.03 0.70 -0.51 0.78 0.00 0.00 0.00 179.25 180.19 1jgw h GLY 26 N 0.79 0.52 0.90 0.00 0.00 0.14 -2.77 103.07 102.66 1jgw h GLY 26 Ca -0.02 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 1jgw h GLY 26 CO 0.14 0.52 0.01 -2.00 0.00 0.00 0.00 176.54 175.20 1jgw h LEU 27 N 0.37 0.56 -1.52 3.11 5.85 -0.91 -1.62 115.31 121.16 1jgw h LEU 27 Ca 0.01 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1jgw h LEU 27 Cb 1.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1jgw h LEU 27 CO 0.09 0.72 -0.25 0.40 -0.34 0.00 0.00 178.44 179.07 1jgw h ILE 28 N 0.38 0.99 -0.26 4.05 2.04 -1.42 0.12 117.51 123.41 1jgw h ILE 28 Ca 0.09 -0.91 -0.12 0.00 1.00 0.00 0.00 64.86 64.92 1jgw h ILE 28 Cb 0.43 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1jgw h ILE 28 CO 0.02 0.24 -0.30 0.22 0.00 0.00 0.00 178.15 178.33 1jgw h TYR 29 N 0.00 0.80 -0.20 1.37 3.20 -1.19 -1.45 116.97 119.51 1jgw h TYR 29 Ca -0.00 -0.25 -0.02 0.00 3.14 0.00 0.00 58.73 61.59 1jgw h TYR 29 Cb 0.50 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1jgw h TYR 29 CO 0.00 0.99 0.04 -0.92 -1.64 0.00 0.00 178.16 176.63 1jgw h TYR 30 N 0.39 0.35 -0.10 -3.82 3.20 -0.71 -2.82 116.97 113.46 1jgw h TYR 30 Ca 0.04 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1jgw h TYR 30 Cb 0.87 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1jgw h TYR 30 CO 0.08 0.47 0.06 -0.07 -1.64 0.00 0.00 178.16 177.06 1jgw h LEU 31 N 0.13 0.11 -0.67 2.82 3.38 -0.75 -1.84 115.31 118.50 1jgw h LEU 31 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jgw h LEU 31 Cb 0.30 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1jgw h LEU 31 CO 0.00 0.08 0.43 -0.61 0.09 0.00 0.00 178.44 178.43 1jgw h GLN 32 N 0.13 0.89 -0.37 1.13 5.75 -1.28 -2.56 115.11 118.81 1jgw h GLN 32 Ca 0.04 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.37 1jgw h GLN 32 Cb -0.01 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 1jgw h GLN 32 CO -0.01 0.61 -0.18 1.79 -2.65 0.00 0.00 178.83 178.39 1jgw h THR 33 N 0.91 1.26 -0.28 2.39 1.35 -1.42 -2.43 112.91 114.70 1jgw h THR 33 Ca 0.24 -1.24 -0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1jgw h THR 33 Cb -0.07 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.51 1jgw h THR 33 CO -0.05 0.41 0.17 -0.33 -0.25 0.00 0.00 175.52 175.47 1jgw h GLU 34 N 0.61 0.37 -0.32 4.72 4.39 -0.95 -1.18 114.58 122.23 1jgw h GLU 34 Ca 0.09 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1jgw h GLU 34 Cb 0.65 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1jgw h GLU 34 CO 0.05 0.26 0.00 0.09 -1.16 0.00 0.00 179.01 178.25 1jgw n ASN 35 N -4.48 1.07 -0.78 1.42 3.02 -0.92 -3.31 115.26 111.28 1jgw n ASN 35 Ca 0.01 -2.04 0.07 0.00 -0.03 0.00 0.00 54.58 52.59 1jgw n ASN 35 Cb 0.08 -0.20 0.20 0.00 -0.61 0.00 0.00 39.78 39.25 1jgw n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1jgw n MET 36 N -0.01 2.94 0.00 3.52 2.81 -0.45 -4.58 117.12 121.36 1jgw n MET 36 Ca 0.05 -2.36 0.13 0.00 -1.81 0.00 0.00 57.70 53.71 1jgw n MET 36 Cb 0.20 -1.49 0.68 0.00 -0.71 0.00 0.00 33.22 31.89 1jgw n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1jgw n ARG 37 N 0.22 0.51 -3.86 0.03 1.74 -1.21 -4.44 116.66 109.66 1jgw n ARG 37 Ca 0.16 0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 57.15 1jgw n ARG 37 Cb 0.61 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.42 1jgw n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1jgw s GLU 38 N -2.38 0.12 0.00 5.56 2.02 -1.26 -4.01 118.70 118.75 1jgw s GLU 38 Ca 0.29 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.31 1jgw s GLU 38 Cb 0.17 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.46 1jgw s GLU 38 CO 0.36 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.03 1jgw n GLY 39 N 2.87 3.05 3.94 -1.39 0.00 -1.26 -5.02 105.19 107.38 1jgw n GLY 39 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1jgw n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jgw s TYR 40 N -1.96 3.48 0.81 1.61 1.51 -1.26 -4.40 117.35 117.14 1jgw s TYR 40 Ca 0.00 0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 56.06 1jgw s TYR 40 Cb 0.00 -1.66 0.08 0.00 -0.11 0.00 0.00 41.96 40.27 1jgw s TYR 40 CO 0.00 0.51 1.09 -2.14 -1.11 0.00 0.00 175.55 173.90 1jgw s PRO 41 N -3.26 1.97 0.63 -1.71 0.02 -1.26 -4.88 135.00 126.51 1jgw s PRO 41 Ca 0.34 0.99 -0.16 0.00 0.02 0.00 0.00 61.00 62.19 1jgw s PRO 41 Cb -0.11 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 1jgw s PRO 41 CO 0.28 -1.79 1.12 -0.51 -0.33 0.00 0.00 177.00 175.77 1jgw s LEU 42 N -5.98 3.48 0.34 -5.54 1.43 -1.26 -4.95 118.68 106.20 1jgw s LEU 42 Ca 0.62 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.80 1jgw s LEU 42 Cb -0.17 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 1jgw s LEU 42 CO 0.56 -1.53 0.09 -1.61 0.23 0.00 0.00 176.35 174.09 1jgw s GLU 43 N -3.88 1.70 0.52 1.70 2.02 -1.26 -1.71 118.70 117.78 1jgw s GLU 43 Ca 0.69 -1.97 -0.00 0.00 0.02 0.00 0.00 54.97 53.70 1jgw s GLU 43 Cb -0.22 -0.68 0.01 0.00 0.10 0.00 0.00 34.13 33.35 1jgw s GLU 43 CO 0.38 -0.30 0.75 -0.80 0.02 0.00 0.00 175.26 175.31 1jgw s ASN 44 N -3.49 5.55 0.03 -0.19 0.01 0.23 -4.62 114.94 112.45 1jgw s ASN 44 Ca 0.33 0.23 0.02 0.00 -0.71 0.00 0.00 52.86 52.73 1jgw s ASN 44 Cb 0.07 -1.29 0.10 0.00 0.41 0.00 0.00 41.25 40.55 1jgw s ASN 44 CO 0.15 -0.95 1.04 -0.62 -1.51 0.00 0.00 177.10 175.21 1jgw n GLU 45 N -2.27 0.01 -0.22 -0.60 1.02 -1.26 -1.06 120.64 116.25 1jgw n GLU 45 Ca 0.04 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.80 1jgw n GLU 45 Cb 0.59 -1.56 0.23 0.00 -0.02 0.00 0.00 31.44 30.68 1jgw n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1jgw n ASP 46 N -1.55 3.53 0.00 1.62 5.75 -1.26 -4.95 116.55 119.69 1jgw n ASP 46 Ca -0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1jgw n ASP 46 Cb 0.02 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1jgw n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jgw n GLY 47 N 1.48 0.78 3.88 6.12 0.00 -0.22 -5.06 105.19 112.16 1jgw n GLY 47 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1jgw n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgw s THR 48 N -2.56 4.98 0.25 2.61 -4.23 -1.26 -4.76 115.64 110.67 1jgw s THR 48 Ca 0.00 0.40 -0.31 0.00 -1.18 0.00 0.00 61.69 60.60 1jgw s THR 48 Cb 0.00 -3.62 -0.13 0.00 1.34 0.00 0.00 72.50 70.09 1jgw s THR 48 CO 0.00 -0.03 1.40 -2.65 -0.54 0.00 0.00 174.62 172.80 1jgw n PRO 49 N -0.03 2.06 -1.84 3.99 -0.02 -1.26 0.76 135.00 138.66 1jgw n PRO 49 Ca -0.00 0.73 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 1jgw n PRO 49 Cb 0.52 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.64 1jgw n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jgw s ALA 50 N -0.19 2.89 -0.03 3.55 0.00 -0.70 -4.65 121.76 122.64 1jgw s ALA 50 Ca 0.66 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.50 1jgw s ALA 50 Cb -0.63 -3.14 -0.12 0.00 0.00 0.00 0.00 23.12 19.22 1jgw s ALA 50 CO 0.51 -0.85 0.85 0.00 0.00 0.00 0.00 175.76 176.27 1jgw h ALA 51 N -0.22 -0.50 -2.25 0.00 0.00 -1.93 -3.42 119.26 110.93 1jgw h ALA 51 Ca -0.45 -0.17 -0.62 0.00 0.00 0.00 0.00 54.91 53.67 1jgw h ALA 51 Cb 1.20 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 19.06 1jgw h ALA 51 CO 0.59 -0.52 0.23 1.21 0.00 0.00 0.00 179.25 180.77 1jgw s ASN 52 N -5.02 6.47 0.00 0.00 2.47 -1.26 -4.90 114.94 112.70 1jgw s ASN 52 Ca -0.11 0.19 0.22 0.00 0.42 0.00 0.00 52.86 53.59 1jgw s ASN 52 Cb 0.01 -2.35 0.01 0.00 -1.45 0.00 0.00 41.25 37.47 1jgw s ASN 52 CO 0.37 -0.66 1.08 0.00 -3.72 0.00 0.00 177.10 174.17 1jgw n GLN 53 N 6.21 0.48 0.00 0.43 1.13 -1.26 -4.96 117.38 119.41 1jgw n GLN 53 Ca 0.00 -0.38 0.00 0.00 -1.94 0.00 0.00 57.00 54.68 1jgw n GLN 53 Cb 0.48 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.34 1jgw n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jgw n GLY 54 N 1.46 1.34 0.27 1.08 0.00 -1.26 -4.77 105.19 103.31 1jgw n GLY 54 Ca 0.07 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1jgw n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jgw h PRO 55 N 0.00 0.48 -6.26 1.61 0.13 -2.04 -3.44 132.00 122.48 1jgw h PRO 55 Ca 0.00 -0.10 -0.56 0.00 -0.87 0.00 0.00 66.00 64.47 1jgw h PRO 55 Cb 0.00 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.02 1jgw h PRO 55 CO 0.00 0.52 0.02 -0.06 -0.23 0.00 0.00 178.00 178.26 1jgw s PHE 56 N -4.94 3.79 0.44 1.56 0.08 -1.26 -5.08 117.98 112.58 1jgw s PHE 56 Ca -0.07 1.34 -0.07 0.00 0.12 0.00 0.00 56.93 58.25 1jgw s PHE 56 Cb 0.15 -2.60 -0.05 0.00 -0.57 0.00 0.00 43.02 39.96 1jgw s PHE 56 CO 0.76 0.50 0.77 -1.25 -0.10 0.00 0.00 175.22 175.89 1jgw s PRO 57 N -0.83 3.62 0.46 0.24 0.04 -1.26 -5.05 135.00 132.22 1jgw s PRO 57 Ca 0.31 0.27 -0.24 0.00 0.04 0.00 0.00 61.00 61.38 1jgw s PRO 57 Cb -0.20 -2.40 -0.07 0.00 0.04 0.00 0.00 34.50 31.87 1jgw s PRO 57 CO 0.20 -0.12 1.31 -0.51 0.04 0.00 0.00 177.00 177.92 1jgw s LEU 58 N -4.38 4.08 0.63 -3.56 1.43 -1.26 -4.87 118.68 110.75 1jgw s LEU 58 Ca 0.48 2.66 -0.11 0.00 -1.03 0.00 0.00 54.13 56.13 1jgw s LEU 58 Cb -0.10 -4.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.03 1jgw s LEU 58 CO 0.40 -1.08 1.04 -2.16 0.23 0.00 0.00 176.35 174.77 1jgw s PRO 59 N -2.51 3.48 0.21 1.29 0.04 -1.26 -5.00 135.00 131.25 1jgw s PRO 59 Ca 0.62 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 1jgw s PRO 59 Cb -0.38 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 1jgw s PRO 59 CO 0.47 -0.66 1.45 0.15 0.04 0.00 0.00 177.00 178.45 1jgw s LYS 60 N -5.17 4.27 0.56 4.56 1.02 -1.26 -4.63 119.74 119.10 1jgw s LYS 60 Ca 0.56 2.27 -0.19 0.00 0.02 0.00 0.00 55.97 58.62 1jgw s LYS 60 Cb -0.11 -3.14 -0.07 0.00 -0.52 0.00 0.00 37.83 33.98 1jgw s LYS 60 CO 0.54 -0.44 0.79 -2.30 -0.92 0.00 0.00 175.35 173.02 1jgw n PRO 61 N 2.85 0.79 -4.19 -1.68 -0.02 -1.26 -4.80 135.00 126.70 1jgw n PRO 61 Ca 0.09 0.30 -0.17 0.00 -2.02 0.00 0.00 63.50 61.70 1jgw n PRO 61 Cb 0.40 -1.96 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 1jgw n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1jgw s LYS 62 N -2.39 0.87 -0.09 -0.52 -2.85 -0.39 -4.96 119.74 109.42 1jgw s LYS 62 Ca 0.71 -1.08 0.03 0.00 -1.00 0.00 0.00 55.97 54.63 1jgw s LYS 62 Cb -0.45 -0.74 0.01 0.00 -2.06 0.00 0.00 37.83 34.60 1jgw s LYS 62 CO 0.51 0.14 -0.17 0.99 0.10 0.00 0.00 175.35 176.93 1jgw s THR 63 N -1.84 1.51 -0.07 3.79 2.01 -1.26 -1.54 115.64 118.25 1jgw s THR 63 Ca 0.03 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.21 1jgw s THR 63 Cb -0.07 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1jgw s THR 63 CO 0.02 0.44 0.32 -0.36 -0.69 0.00 0.00 174.62 174.35 1jgw s PHE 64 N 0.63 3.64 -0.39 4.92 0.08 0.60 -4.93 117.98 122.53 1jgw s PHE 64 Ca -0.14 0.80 -0.13 0.00 0.12 0.00 0.00 56.93 57.58 1jgw s PHE 64 Cb -0.16 -2.23 0.02 0.00 -0.57 0.00 0.00 43.02 40.08 1jgw s PHE 64 CO 0.04 0.57 0.26 0.42 -0.10 0.00 0.00 175.22 176.41 1jgw s ILE 65 N -0.69 4.99 0.35 0.64 1.01 -1.26 -1.77 121.20 124.47 1jgw s ILE 65 Ca 0.20 -0.69 -0.26 0.00 0.00 0.00 0.00 60.65 59.90 1jgw s ILE 65 Cb -0.15 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 1jgw s ILE 65 CO 0.09 -0.25 1.06 -0.76 0.00 0.00 0.00 174.94 175.08 1jgw s LEU 66 N 1.63 4.31 1.02 2.97 1.43 -0.66 -5.02 118.68 124.36 1jgw s LEU 66 Ca 0.04 2.11 -0.16 0.00 -1.03 0.00 0.00 54.13 55.09 1jgw s LEU 66 Cb -0.19 -3.97 0.21 0.00 0.03 0.00 0.00 46.19 42.28 1jgw s LEU 66 CO 0.09 -0.34 1.22 -2.16 0.23 0.00 0.00 176.35 175.39 1jgw s PRO 67 N -2.07 0.20 -1.67 1.29 0.04 -1.26 -4.22 135.00 127.31 1jgw s PRO 67 Ca 0.52 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1jgw s PRO 67 Cb -0.25 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1jgw s PRO 67 CO 0.32 -2.74 0.00 0.72 0.04 0.00 0.00 177.00 175.34 1jgw n HIS 68 N -4.06 -0.89 -1.15 0.56 8.25 -1.26 -2.40 115.22 114.27 1jgw n HIS 68 Ca 0.13 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.54 1jgw n HIS 68 Cb 0.59 -3.54 -0.02 0.00 1.12 0.00 0.00 29.99 28.14 1jgw n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgw n GLY 69 N -0.82 0.68 0.00 -1.41 0.00 -1.26 -4.87 105.19 97.52 1jgw n GLY 69 Ca -0.21 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1jgw n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgw n ARG 70 N -1.47 0.40 0.00 1.61 5.12 -1.01 -4.98 116.66 116.33 1jgw n ARG 70 Ca -0.05 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1jgw n ARG 70 Cb 0.34 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 1jgw n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jgw n GLY 71 N -0.11 0.75 3.36 -0.13 0.00 -1.26 -4.92 105.19 102.88 1jgw n GLY 71 Ca 0.10 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.31 1jgw n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgw s THR 72 N 0.00 0.28 -0.13 2.61 -4.23 -1.26 -1.66 115.64 111.25 1jgw s THR 72 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1jgw s THR 72 Cb 0.00 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.41 1jgw s THR 72 CO 0.00 0.00 0.33 -0.22 -0.54 0.00 0.00 174.62 174.19 1jgw s LEU 73 N -3.42 0.54 -0.09 4.79 2.96 -0.73 -4.90 118.68 117.83 1jgw s LEU 73 Ca 0.34 0.69 -0.00 0.00 -0.22 0.00 0.00 54.13 54.94 1jgw s LEU 73 Cb 0.04 1.12 0.02 0.00 0.50 0.00 0.00 46.19 47.87 1jgw s LEU 73 CO 0.20 -0.14 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.14 1jgw s THR 74 N 0.55 0.81 0.02 3.68 2.01 -1.26 -0.29 115.64 121.15 1jgw s THR 74 Ca -0.03 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.83 1jgw s THR 74 Cb -0.05 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1jgw s THR 74 CO -0.03 0.32 -0.14 0.68 -0.69 0.00 0.00 174.62 174.76 1jgw s VAL 75 N 1.55 1.09 0.55 3.82 -7.23 -0.59 -3.69 120.40 115.90 1jgw s VAL 75 Ca 0.01 -0.80 -0.18 0.00 -1.81 0.00 0.00 61.98 59.19 1jgw s VAL 75 Cb -0.13 -0.95 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 1jgw s VAL 75 CO -0.05 0.14 1.06 -2.16 -0.31 0.00 0.00 175.10 173.79 1jgw s PRO 76 N -0.76 3.46 0.14 4.82 0.04 -1.26 -1.26 135.00 140.18 1jgw s PRO 76 Ca 0.03 1.32 -0.02 0.00 0.04 0.00 0.00 61.00 62.38 1jgw s PRO 76 Cb -0.07 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1jgw s PRO 76 CO 0.00 -0.71 0.21 0.41 0.04 0.00 0.00 177.00 176.95 1jgw n GLY 77 N -0.54 2.49 3.55 0.56 0.00 -1.24 -4.81 105.19 105.19 1jgw n GLY 77 Ca 0.09 -1.38 -0.53 0.00 0.00 0.00 0.00 46.02 44.20 1jgw n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jgw n PRO 78 N -0.21 1.19 -3.41 1.61 -0.02 -1.26 -4.93 135.00 127.96 1jgw n PRO 78 Ca -0.01 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1jgw n PRO 78 Cb 0.22 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.28 1jgw n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jgw s GLU 79 N 5.12 3.46 -0.06 -0.52 0.41 -1.26 -5.05 118.70 120.80 1jgw s GLU 79 Ca 1.05 -0.52 -0.03 0.00 -0.41 0.00 0.00 54.97 55.06 1jgw s GLU 79 Cb -0.94 -3.84 0.04 0.00 -1.78 0.00 0.00 34.13 27.62 1jgw s GLU 79 CO 0.55 -0.57 0.14 0.45 -0.49 0.00 0.00 175.26 175.34 1jgw s SER 80 N 1.74 0.04 0.53 -0.19 0.15 -1.26 -5.02 113.70 109.69 1jgw s SER 80 Ca 0.11 0.28 0.24 0.00 0.70 0.00 0.00 55.95 57.27 1jgw s SER 80 Cb -0.17 0.17 1.47 0.00 -1.71 0.00 0.00 66.02 65.78 1jgw s SER 80 CO 0.12 -0.16 2.14 -0.33 1.20 0.00 0.00 173.24 176.21 1jgw h GLU 81 N 7.41 0.00 -6.48 5.44 4.39 -2.02 -3.46 114.58 119.87 1jgw h GLU 81 Ca -0.39 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.81 1jgw h GLU 81 Cb 1.13 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.69 1jgw h GLU 81 CO 0.39 0.07 -0.81 -0.25 -1.16 0.00 0.00 179.01 177.24 1jgw n ASP 82 N -4.02 -3.20 -3.59 1.42 8.00 -1.26 -4.61 116.55 109.28 1jgw n ASP 82 Ca -0.03 -0.91 -0.05 0.00 0.71 0.00 0.00 54.79 54.51 1jgw n ASP 82 Cb 0.15 -3.35 -0.03 0.00 -0.02 0.00 0.00 41.12 37.88 1jgw n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jgw s ARG 83 N -6.67 0.36 0.07 -1.24 1.70 -1.26 -4.95 118.95 106.96 1jgw s ARG 83 Ca 0.53 -0.07 -0.27 0.00 -0.47 0.00 0.00 55.73 55.45 1jgw s ARG 83 Cb -0.28 0.17 -0.06 0.00 -0.57 0.00 0.00 34.95 34.22 1jgw s ARG 83 CO 0.87 -0.15 0.84 -1.25 -1.08 0.00 0.00 175.30 174.54 1jgw s PRO 84 N -2.04 4.57 -0.45 3.89 0.04 -1.26 -5.04 135.00 134.71 1jgw s PRO 84 Ca 0.07 1.22 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 1jgw s PRO 84 Cb -0.01 -3.37 0.10 0.00 0.04 0.00 0.00 34.50 31.26 1jgw s PRO 84 CO -0.05 0.25 0.31 0.42 0.04 0.00 0.00 177.00 177.97 1jgw s ILE 85 N -0.01 4.21 -1.13 0.56 -1.09 -1.26 -5.00 121.20 117.48 1jgw s ILE 85 Ca 0.42 -1.63 -0.18 0.00 -2.23 0.00 0.00 60.65 57.03 1jgw s ILE 85 Cb -0.22 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 1jgw s ILE 85 CO 0.26 -0.67 2.05 0.00 -1.23 0.00 0.00 174.94 175.35 1jgw n ALA 86 N 4.91 4.24 -2.50 9.38 0.00 -1.26 -4.86 120.51 130.42 1jgw n ALA 86 Ca -0.09 -3.58 -0.09 0.00 0.00 0.00 0.00 53.44 49.67 1jgw n ALA 86 Cb 0.42 -3.58 -0.11 0.00 0.00 0.00 0.00 19.45 16.18 1jgw n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jgw s LEU 87 N 2.36 2.38 -0.00 0.00 1.43 -1.26 -1.58 118.68 122.01 1jgw s LEU 87 Ca 0.53 -0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1jgw s LEU 87 Cb 0.13 0.05 -0.00 0.00 0.03 0.00 0.00 46.19 46.39 1jgw s LEU 87 CO 0.02 -0.41 0.09 0.00 0.23 0.00 0.00 176.35 176.28 1jgw s ALA 88 N -2.70 -0.21 0.73 4.21 0.00 0.22 -4.87 121.76 119.13 1jgw s ALA 88 Ca -0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 1jgw s ALA 88 Cb -0.01 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1jgw s ALA 88 CO -0.04 -0.16 1.24 0.54 0.00 0.00 0.00 175.76 177.33 1jgw n ARG 89 N 1.81 0.66 0.00 0.00 1.74 -1.26 -0.52 116.66 119.09 1jgw n ARG 89 Ca -0.21 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1jgw n ARG 89 Cb 0.56 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 1jgw n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1jgw n THR 90 N -2.57 0.21 -3.86 0.55 -2.24 -1.23 -4.76 114.28 100.38 1jgw n THR 90 Ca 0.15 -0.57 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 1jgw n THR 90 Cb 0.49 0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 1jgw n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jgw s ALA 91 N -0.21 -0.25 -1.33 6.98 0.00 -1.26 -5.04 121.76 120.66 1jgw s ALA 91 Ca 0.00 -0.52 0.29 0.00 0.00 0.00 0.00 51.96 51.73 1jgw s ALA 91 Cb 0.00 0.41 1.26 0.00 0.00 0.00 0.00 23.12 24.79 1jgw s ALA 91 CO 0.00 -0.45 1.90 1.33 0.00 0.00 0.00 175.76 178.54 1jgw n VAL 92 N 0.20 0.00 -4.60 0.00 0.24 -1.26 -4.87 118.33 108.04 1jgw n VAL 92 Ca -0.16 -0.02 -0.28 0.00 -2.04 0.00 0.00 64.34 61.84 1jgw n VAL 92 Cb 0.61 -0.31 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 1jgw n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jgw s SER 93 N -2.71 3.85 0.37 -1.34 1.04 -1.26 -5.13 113.70 108.52 1jgw s SER 93 Ca 0.23 -1.34 -0.25 0.00 0.48 0.00 0.00 55.95 55.07 1jgw s SER 93 Cb 0.20 -0.39 -0.09 0.00 0.10 0.00 0.00 66.02 65.83 1jgw s SER 93 CO 0.51 -0.40 1.04 -1.61 0.98 0.00 0.00 173.24 173.75 1jgw s GLU 94 N -3.69 4.32 0.00 4.02 8.01 -1.26 -4.33 118.70 125.77 1jgw s GLU 94 Ca 0.35 1.52 0.00 0.00 0.01 0.00 0.00 54.97 56.85 1jgw s GLU 94 Cb 0.08 -2.69 0.00 0.00 -4.31 0.00 0.00 34.13 27.21 1jgw s GLU 94 CO 0.18 -0.00 0.00 0.41 0.01 0.00 0.00 175.26 175.85 1jgw n GLY 95 N 0.52 0.91 3.76 -1.39 0.00 -1.26 -5.11 105.19 102.61 1jgw n GLY 95 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1jgw n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jgw s PHE 96 N -2.00 2.65 0.60 1.61 0.40 -1.26 -5.11 117.98 114.88 1jgw s PHE 96 Ca 0.00 -0.51 -0.20 0.00 -0.60 0.00 0.00 56.93 55.62 1jgw s PHE 96 Cb 0.00 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 1jgw s PHE 96 CO 0.00 0.17 1.33 -2.14 0.70 0.00 0.00 175.22 175.28 1jgw s PRO 97 N -3.93 2.82 -0.19 0.24 0.02 -1.26 -4.90 135.00 127.80 1jgw s PRO 97 Ca 0.41 2.15 -0.03 0.00 0.02 0.00 0.00 61.00 63.55 1jgw s PRO 97 Cb 0.01 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 1jgw s PRO 97 CO 0.24 -1.42 -0.05 -1.01 -0.33 0.00 0.00 177.00 174.43 1jgw s HIS 98 N -1.35 2.95 0.25 6.54 3.76 -1.26 -3.52 115.29 122.66 1jgw s HIS 98 Ca 0.78 -0.69 -0.17 0.00 -0.15 0.00 0.00 55.06 54.83 1jgw s HIS 98 Cb -0.39 -2.02 -0.08 0.00 1.11 0.00 0.00 32.58 31.19 1jgw s HIS 98 CO 0.44 -0.34 0.70 0.00 -0.85 0.00 0.00 174.74 174.68 1jgw s ALA 99 N 0.99 3.41 0.05 -1.40 0.00 0.32 -4.74 121.76 120.40 1jgw s ALA 99 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.72 1jgw s ALA 99 Cb -0.15 -2.75 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 1jgw s ALA 99 CO 0.00 0.35 1.39 -2.14 0.00 0.00 0.00 175.76 175.37 1jgw s PRO 100 N -2.34 4.31 0.17 0.00 0.02 -1.26 -0.61 135.00 135.28 1jgw s PRO 100 Ca 0.46 2.01 0.11 0.00 0.02 0.00 0.00 61.00 63.60 1jgw s PRO 100 Cb -0.14 -3.43 -0.10 0.00 0.02 0.00 0.00 34.50 30.85 1jgw s PRO 100 CO 0.20 -0.50 1.28 1.79 -0.33 0.00 0.00 177.00 179.44 1jgw h THR 101 N 4.63 1.27 0.00 0.99 1.35 -1.63 -3.47 112.91 116.04 1jgw h THR 101 Ca -0.40 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 62.62 1jgw h THR 101 Cb 1.19 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 1jgw h THR 101 CO 0.88 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 177.48 1jgw n GLY 102 N 1.32 2.89 3.54 5.82 0.00 -1.26 -5.08 105.19 112.41 1jgw n GLY 102 Ca -0.01 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1jgw n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jgw s ASP 103 N 1.00 6.27 0.29 1.61 -1.08 -1.26 -4.96 116.67 118.54 1jgw s ASP 103 Ca 0.00 -0.23 0.03 0.00 -0.52 0.00 0.00 52.55 51.83 1jgw s ASP 103 Cb 0.00 -2.26 0.62 0.00 -1.46 0.00 0.00 42.92 39.82 1jgw s ASP 103 CO 0.00 -0.52 1.82 1.55 0.52 0.00 0.00 175.17 178.54 1jgw h PRO 104 N 8.57 0.89 0.62 4.34 0.13 -1.93 0.30 132.00 144.92 1jgw h PRO 104 Ca -0.27 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1jgw h PRO 104 Cb 1.12 -0.20 0.01 0.00 0.13 0.00 0.00 31.00 32.06 1jgw h PRO 104 CO 0.78 0.59 -0.30 0.52 -0.23 0.00 0.00 178.00 179.36 1jgw h MET 105 N 0.92 -0.80 -0.08 0.86 2.86 -1.93 -0.77 114.93 115.98 1jgw h MET 105 Ca 0.52 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 58.25 1jgw h MET 105 Cb 0.63 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 1jgw h MET 105 CO -0.30 -0.49 -0.09 0.87 1.06 0.00 0.00 176.91 177.96 1jgw h LYS 106 N -1.05 -0.11 0.00 1.72 6.56 -1.86 -3.05 116.57 118.78 1jgw h LYS 106 Ca -0.09 0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.44 1jgw h LYS 106 Cb 0.69 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.36 1jgw h LYS 106 CO 0.14 -0.08 -0.32 -0.44 -2.06 0.00 0.00 179.45 176.69 1jgw h ASP 107 N -0.12 0.00 -3.38 0.86 3.32 -0.49 -3.49 116.42 113.13 1jgw h ASP 107 Ca 0.06 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1jgw h ASP 107 Cb 0.21 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.80 1jgw h ASP 107 CO -0.15 0.32 -0.18 0.61 -1.72 0.00 0.00 179.24 178.12 1jgw n GLY 108 N 0.22 0.42 3.39 2.75 0.00 -0.31 -4.86 105.19 106.81 1jgw n GLY 108 Ca -0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1jgw n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jgw s VAL 109 N -3.08 1.33 0.00 1.61 -7.23 -1.15 -4.07 120.40 107.81 1jgw s VAL 109 Ca 0.08 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1jgw s VAL 109 Cb -0.01 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1jgw s VAL 109 CO 0.16 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1jgw n GLY 110 N -0.54 1.04 0.22 2.32 0.00 -1.26 -2.40 105.19 104.58 1jgw n GLY 110 Ca -0.05 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.43 1jgw n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jgw h PRO 111 N 0.00 0.00 -0.63 1.61 0.13 -1.94 0.38 132.00 131.54 1jgw h PRO 111 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1jgw h PRO 111 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1jgw h PRO 111 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1jgw n ALA 112 N -1.78 3.06 -1.41 -0.56 0.00 -1.01 -3.38 120.51 115.43 1jgw n ALA 112 Ca -0.02 -1.29 -0.33 0.00 0.00 0.00 0.00 53.44 51.81 1jgw n ALA 112 Cb 0.20 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 18.68 1jgw n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jgw s SER 113 N -0.78 4.76 0.08 0.00 0.01 0.12 -3.99 113.70 113.89 1jgw s SER 113 Ca 0.41 2.05 -0.02 0.00 1.31 0.00 0.00 55.95 59.70 1jgw s SER 113 Cb 0.27 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1jgw s SER 113 CO 0.19 -1.87 0.03 -1.66 0.41 0.00 0.00 173.24 170.35 1jgw s TRP 114 N -2.36 0.55 0.11 2.43 1.48 -1.26 -4.38 118.94 115.51 1jgw s TRP 114 Ca 0.68 -1.04 0.07 0.00 -1.06 0.00 0.00 56.10 54.75 1jgw s TRP 114 Cb -0.22 -0.36 -0.04 0.00 -1.16 0.00 0.00 33.47 31.70 1jgw s TRP 114 CO 0.45 -0.45 -0.08 0.08 -4.06 0.00 0.00 176.95 172.88 1jgw s VAL 115 N -3.95 3.46 -1.42 -0.66 1.01 -1.26 -5.02 120.40 112.56 1jgw s VAL 115 Ca 0.12 -1.26 -0.13 0.00 0.00 0.00 0.00 61.98 60.70 1jgw s VAL 115 Cb 0.07 -2.64 0.07 0.00 0.00 0.00 0.00 36.38 33.88 1jgw s VAL 115 CO -0.07 0.09 2.16 0.00 0.00 0.00 0.00 175.10 177.28 1jgw n ALA 116 N 0.60 5.52 -1.58 5.51 0.00 -1.26 -4.82 120.51 124.49 1jgw n ALA 116 Ca -0.13 -3.97 -0.30 0.00 0.00 0.00 0.00 53.44 49.04 1jgw n ALA 116 Cb 0.53 -3.42 0.09 0.00 0.00 0.00 0.00 19.45 16.65 1jgw n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jgw s ARG 117 N 2.59 2.02 0.36 0.00 0.52 -1.26 -4.96 118.95 118.22 1jgw s ARG 117 Ca 0.45 0.58 -0.27 0.00 -0.52 0.00 0.00 55.73 55.98 1jgw s ARG 117 Cb 0.13 -1.92 -0.12 0.00 0.52 0.00 0.00 34.95 33.57 1jgw s ARG 117 CO -0.07 -1.65 1.12 0.54 0.02 0.00 0.00 175.30 175.26 1jgw n ARG 118 N -3.45 1.65 -1.66 3.54 1.74 -1.26 -4.17 116.66 113.06 1jgw n ARG 118 Ca 0.07 0.58 -0.31 0.00 -0.77 0.00 0.00 57.85 57.42 1jgw n ARG 118 Cb 0.57 -2.11 -0.04 0.00 -1.02 0.00 0.00 32.46 29.86 1jgw n ARG 118 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1jgw n ASP 119 N 0.76 6.92 -4.27 0.55 2.03 -1.26 -2.46 116.55 118.81 1jgw n ASP 119 Ca 0.08 -3.23 -0.15 0.00 0.52 0.00 0.00 54.79 52.01 1jgw n ASP 119 Cb 0.36 -1.26 -0.10 0.00 -0.72 0.00 0.00 41.12 39.40 1jgw n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jgw s LEU 120 N -2.30 2.25 0.43 -2.67 1.43 -1.26 -4.91 118.68 111.65 1jgw s LEU 120 Ca 0.57 -1.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 1jgw s LEU 120 Cb 0.33 -0.20 -0.04 0.00 0.03 0.00 0.00 46.19 46.30 1jgw s LEU 120 CO -0.20 -0.49 0.74 -2.84 0.23 0.00 0.00 176.35 173.80 1jgw s PRO 121 N -3.85 3.61 0.21 1.29 0.02 -1.26 -0.82 135.00 134.19 1jgw s PRO 121 Ca 0.23 0.22 -0.30 0.00 0.02 0.00 0.00 61.00 61.17 1jgw s PRO 121 Cb 0.05 -2.42 -0.08 0.00 0.02 0.00 0.00 34.50 32.06 1jgw s PRO 121 CO 0.05 -0.10 0.96 -2.00 -0.33 0.00 0.00 177.00 175.58 1jgw s GLU 122 N -4.36 4.79 0.22 5.54 2.12 -1.26 -4.89 118.70 120.86 1jgw s GLU 122 Ca 0.48 1.51 0.07 0.00 0.36 0.00 0.00 54.97 57.38 1jgw s GLU 122 Cb -0.10 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1jgw s GLU 122 CO 0.39 0.40 0.13 -0.51 -0.54 0.00 0.00 175.26 175.14 1jgw s LEU 123 N -0.85 3.68 0.00 2.70 1.43 -1.26 -0.48 118.68 123.90 1jgw s LEU 123 Ca 0.43 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1jgw s LEU 123 Cb -0.26 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1jgw s LEU 123 CO 0.32 0.01 0.00 -0.90 0.23 0.00 0.00 176.35 176.01 1jgw n ASP 124 N -0.81 0.00 0.30 2.29 5.68 0.12 -4.72 116.55 119.41 1jgw n ASP 124 Ca -0.08 -0.53 0.19 0.00 -0.50 0.00 0.00 54.79 53.87 1jgw n ASP 124 Cb 0.57 0.00 0.92 0.00 -1.14 0.00 0.00 41.12 41.47 1jgw n ASP 124 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1jgw h GLY 125 N 0.00 0.00 -1.30 6.12 0.00 -2.00 -2.42 103.07 103.47 1jgw h GLY 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jgw h GLY 125 CO 0.00 0.00 -0.24 1.42 0.00 0.00 0.00 176.54 177.72 1jgw n HIS 126 N -3.18 0.00 -0.26 5.60 8.25 -1.26 -4.97 115.22 119.41 1jgw n HIS 126 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1jgw n HIS 126 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1jgw n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgw n GLY 127 N 1.29 0.86 3.92 -1.41 0.00 -0.91 -5.09 105.19 103.86 1jgw n GLY 127 Ca 0.10 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1jgw n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jgw s HIS 128 N -2.00 3.50 0.09 1.61 3.76 -1.26 -4.75 115.29 116.24 1jgw s HIS 128 Ca 0.00 0.29 -0.36 0.00 -0.15 0.00 0.00 55.06 54.84 1jgw s HIS 128 Cb 0.00 -1.80 -0.17 0.00 1.11 0.00 0.00 32.58 31.72 1jgw s HIS 128 CO 0.00 0.54 1.25 0.09 -0.85 0.00 0.00 174.74 175.77 1jgw n ASN 129 N 0.08 1.28 -0.10 1.40 4.13 -1.26 -0.70 115.26 120.09 1jgw n ASN 129 Ca -0.05 1.13 -0.14 0.00 1.68 0.00 0.00 54.58 57.20 1jgw n ASN 129 Cb 0.52 -1.15 -0.04 0.00 -1.54 0.00 0.00 39.78 37.57 1jgw n ASN 129 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1jgw h LYS 130 N 4.02 0.85 -5.82 3.52 3.64 -1.07 -3.44 116.57 118.28 1jgw h LYS 130 Ca -0.47 -0.49 -0.67 0.00 -1.27 0.00 0.00 60.65 57.75 1jgw h LYS 130 Cb 1.35 0.04 -0.19 0.00 -0.41 0.00 0.00 32.23 33.02 1jgw h LYS 130 CO 0.74 1.13 -0.66 0.42 -2.27 0.00 0.00 179.45 178.80 1jgw s ILE 131 N -4.26 3.95 -0.01 2.00 1.01 -1.26 -1.50 121.20 121.13 1jgw s ILE 131 Ca -0.11 -0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 1jgw s ILE 131 Cb 0.10 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.92 1jgw s ILE 131 CO 0.87 0.57 0.29 -0.54 0.00 0.00 0.00 174.94 176.13 1jgw s LYS 132 N -0.45 0.64 0.64 2.79 1.02 -0.70 -4.71 119.74 118.98 1jgw s LYS 132 Ca 0.07 -0.20 -0.16 0.00 0.02 0.00 0.00 55.97 55.70 1jgw s LYS 132 Cb -0.12 0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 37.47 1jgw s LYS 132 CO 0.02 -0.17 1.13 -1.25 -0.92 0.00 0.00 175.35 174.16 1jgw s PRO 133 N -1.31 2.81 0.24 -1.68 0.04 -1.26 -0.87 135.00 132.97 1jgw s PRO 133 Ca -0.14 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 62.39 1jgw s PRO 133 Cb -0.05 -1.94 0.26 0.00 0.04 0.00 0.00 34.50 32.81 1jgw s PRO 133 CO 0.04 -1.26 1.69 1.98 0.04 0.00 0.00 177.00 179.49 1jgw h MET 134 N 0.24 0.77 0.00 4.56 4.05 -1.35 -2.55 114.93 120.66 1jgw h MET 134 Ca -0.48 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 58.68 1jgw h MET 134 Cb 1.26 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1jgw h MET 134 CO 0.54 0.86 0.21 1.57 0.23 0.00 0.00 176.91 180.32 1jgw h LYS 135 N 0.70 0.00 -0.11 0.39 2.10 -1.91 0.61 116.57 118.34 1jgw h LYS 135 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1jgw h LYS 135 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1jgw h LYS 135 CO 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.49 1jgw n ALA 136 N -1.65 2.29 -3.15 0.07 0.00 -0.97 -4.93 120.51 112.17 1jgw n ALA 136 Ca -0.01 -0.83 -0.41 0.00 0.00 0.00 0.00 53.44 52.19 1jgw n ALA 136 Cb 0.24 -0.24 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1jgw n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgw s ALA 137 N -0.78 3.31 0.00 0.00 0.00 0.21 -4.97 121.76 119.53 1jgw s ALA 137 Ca 0.11 -2.06 -0.30 0.00 0.00 0.00 0.00 51.96 49.71 1jgw s ALA 137 Cb 0.06 -2.68 -0.08 0.00 0.00 0.00 0.00 23.12 20.43 1jgw s ALA 137 CO 0.09 -1.60 1.83 0.00 0.00 0.00 0.00 175.76 176.08 1jgw s ALA 138 N 1.47 3.60 0.00 0.00 0.00 -1.26 -2.75 121.76 122.82 1jgw s ALA 138 Ca 0.03 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1jgw s ALA 138 Cb -0.22 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1jgw s ALA 138 CO 0.03 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 174.72 1jgw n GLY 139 N 4.36 3.02 3.77 0.00 0.00 -1.26 -5.05 105.19 110.04 1jgw n GLY 139 Ca 0.19 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1jgw n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jgw s PHE 140 N -2.50 3.01 0.23 1.61 0.40 -1.11 -5.02 117.98 114.60 1jgw s PHE 140 Ca 0.00 1.39 -0.22 0.00 -0.60 0.00 0.00 56.93 57.50 1jgw s PHE 140 Cb 0.00 -3.71 0.04 0.00 0.51 0.00 0.00 43.02 39.86 1jgw s PHE 140 CO 0.00 -1.95 0.67 -3.38 0.70 0.00 0.00 175.22 171.26 1jgw s HIS 141 N -1.12 -0.32 -0.29 0.36 -3.43 -1.26 -4.99 115.29 104.24 1jgw s HIS 141 Ca 0.49 -0.04 -0.29 0.00 -0.80 0.00 0.00 55.06 54.43 1jgw s HIS 141 Cb -0.40 0.64 0.01 0.00 -1.43 0.00 0.00 32.58 31.40 1jgw s HIS 141 CO 0.53 -1.08 1.09 0.08 -2.00 0.00 0.00 174.74 173.36 1jgw s VAL 142 N -3.85 4.52 -0.70 -5.38 1.01 -1.26 -4.91 120.40 109.83 1jgw s VAL 142 Ca 0.07 1.77 0.21 0.00 0.00 0.00 0.00 61.98 64.03 1jgw s VAL 142 Cb -0.04 -4.37 -0.26 0.00 0.00 0.00 0.00 36.38 31.71 1jgw s VAL 142 CO -0.01 -0.40 0.76 -1.54 0.00 0.00 0.00 175.10 173.91 1jgw n SER 143 N 6.78 0.71 -3.53 3.32 3.41 -1.26 -5.02 113.62 118.04 1jgw n SER 143 Ca 0.12 -0.69 -0.14 0.00 -0.26 0.00 0.00 58.87 57.90 1jgw n SER 143 Cb 0.47 1.30 -0.05 0.00 -0.26 0.00 0.00 64.21 65.66 1jgw n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgw s ALA 144 N -3.13 -1.81 0.00 7.33 0.00 -1.26 -5.15 121.76 117.74 1jgw s ALA 144 Ca 0.03 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1jgw s ALA 144 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1jgw s ALA 144 CO 0.87 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1jgw n GLY 145 N 0.59 -1.42 3.69 0.00 0.00 -1.26 -4.84 105.19 101.95 1jgw n GLY 145 Ca -0.15 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1jgw n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jgw s LYS 146 N -1.98 4.28 -0.10 1.61 2.47 -1.26 -4.97 119.74 119.79 1jgw s LYS 146 Ca 0.00 2.05 -0.30 0.00 -1.56 0.00 0.00 55.97 56.16 1jgw s LYS 146 Cb 0.00 -3.50 -0.02 0.00 -1.46 0.00 0.00 37.83 32.84 1jgw s LYS 146 CO 0.00 -0.57 1.21 1.21 0.16 0.00 0.00 175.35 177.36 1jgw s ASN 147 N 1.79 7.02 0.36 1.43 3.84 -1.26 -4.93 114.94 123.20 1jgw s ASN 147 Ca 0.66 1.74 0.24 0.00 0.21 0.00 0.00 52.86 55.71 1jgw s ASN 147 Cb -0.34 -2.55 0.51 0.00 -0.55 0.00 0.00 41.25 38.32 1jgw s ASN 147 CO 0.28 -0.64 1.67 1.55 -2.79 0.00 0.00 177.10 177.17 1jgw h PRO 148 N 7.70 0.00 -6.46 0.43 0.13 -1.97 -3.46 132.00 128.36 1jgw h PRO 148 Ca -0.31 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.23 1jgw h PRO 148 Cb 1.14 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.32 1jgw h PRO 148 CO 0.91 0.00 0.85 -0.89 -0.23 0.00 0.00 178.00 178.64 1jgw n ILE 149 N -2.81 0.11 0.00 -3.56 5.41 -1.26 -1.16 119.36 116.08 1jgw n ILE 149 Ca 0.05 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1jgw n ILE 149 Cb 0.49 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 1jgw n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jgw n GLY 150 N 3.59 2.51 3.80 7.39 0.00 -0.39 -5.00 105.19 117.08 1jgw n GLY 150 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1jgw n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jgw s LEU 151 N 0.00 4.11 0.35 0.99 1.43 -0.31 -4.72 118.68 120.53 1jgw s LEU 151 Ca 0.00 1.83 -0.25 0.00 -1.03 0.00 0.00 54.13 54.68 1jgw s LEU 151 Cb 0.00 -4.29 -0.10 0.00 0.03 0.00 0.00 46.19 41.83 1jgw s LEU 151 CO 0.00 -0.32 0.96 -2.16 0.23 0.00 0.00 176.35 175.06 1jgw s PRO 152 N -2.65 4.48 -0.21 1.29 0.04 -1.26 -1.00 135.00 135.69 1jgw s PRO 152 Ca 0.57 1.31 -0.08 0.00 0.04 0.00 0.00 61.00 62.85 1jgw s PRO 152 Cb -0.16 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 1jgw s PRO 152 CO 0.20 0.18 0.08 0.08 0.04 0.00 0.00 177.00 177.58 1jgw s VAL 153 N -1.72 4.68 0.06 -0.36 1.01 0.54 -1.75 120.40 122.86 1jgw s VAL 153 Ca 0.53 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1jgw s VAL 153 Cb -0.17 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1jgw s VAL 153 CO 0.22 0.40 0.03 -0.60 0.00 0.00 0.00 175.10 175.15 1jgw s ARG 154 N 0.89 2.73 0.57 2.72 3.52 -0.37 -0.11 118.95 128.89 1jgw s ARG 154 Ca 0.04 -0.72 0.07 0.00 -0.13 0.00 0.00 55.73 54.99 1jgw s ARG 154 Cb -0.14 -2.64 0.08 0.00 -1.56 0.00 0.00 34.95 30.68 1jgw s ARG 154 CO 0.03 0.58 0.78 0.20 -0.81 0.00 0.00 175.30 176.07 1jgw s GLY 155 N -2.10 1.79 0.12 8.12 0.00 0.03 -1.37 107.32 113.91 1jgw s GLY 155 Ca 0.25 -1.93 0.15 0.00 0.00 0.00 0.00 44.72 43.19 1jgw s GLY 155 CO 0.17 -1.51 1.46 0.00 0.00 0.00 0.00 173.10 173.21 1jgw n ASP 157 N -1.81 4.83 -1.54 0.00 5.75 -1.26 -4.92 116.55 117.60 1jgw n ASP 157 Ca 0.02 -2.67 -0.19 0.00 -0.01 0.00 0.00 54.79 51.93 1jgw n ASP 157 Cb 0.13 -0.62 -0.08 0.00 -1.03 0.00 0.00 41.12 39.51 1jgw n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jgw n LEU 158 N 0.68 -1.38 -4.75 -2.12 4.77 -0.28 -4.96 117.00 108.95 1jgw n LEU 158 Ca 0.24 0.48 -0.31 0.00 -0.03 0.00 0.00 56.01 56.38 1jgw n LEU 158 Cb 0.99 -2.74 -0.07 0.00 -2.33 0.00 0.00 43.42 39.27 1jgw n LEU 158 CO 0.26 -1.04 -0.28 -0.70 -1.33 0.00 0.00 177.39 174.31 1jgw s GLU 159 N -3.63 2.86 -0.12 3.23 2.56 -1.26 -4.86 118.70 117.48 1jgw s GLU 159 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 54.97 54.04 1jgw s GLU 159 Cb 0.00 -2.72 -0.02 0.00 2.00 0.00 0.00 34.13 33.39 1jgw s GLU 159 CO 0.00 0.59 0.90 0.42 -0.56 0.00 0.00 175.26 176.61 1jgw s ILE 160 N -1.30 4.86 -0.99 -3.70 -1.09 -1.26 -0.79 121.20 116.93 1jgw s ILE 160 Ca 0.26 1.82 0.16 0.00 -2.23 0.00 0.00 60.65 60.66 1jgw s ILE 160 Cb -0.12 -4.22 -0.12 0.00 -1.58 0.00 0.00 42.46 36.42 1jgw s ILE 160 CO 0.18 0.05 0.74 0.00 -1.23 0.00 0.00 174.94 174.69 1jgw n ALA 161 N 4.86 3.84 0.00 9.38 0.00 0.84 -4.96 120.51 134.47 1jgw n ALA 161 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1jgw n ALA 161 Cb 0.49 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1jgw n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgw n GLY 162 N 1.32 -0.54 3.18 0.00 0.00 -1.18 -4.24 105.19 103.73 1jgw n GLY 162 Ca 0.04 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 1jgw n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jgw s LYS 163 N -1.59 0.60 0.12 1.61 -2.85 -0.81 -0.34 119.74 116.49 1jgw s LYS 163 Ca 0.00 -0.32 -0.29 0.00 -1.00 0.00 0.00 55.97 54.36 1jgw s LYS 163 Cb 0.00 0.26 -0.06 0.00 -2.06 0.00 0.00 37.83 35.97 1jgw s LYS 163 CO 0.00 -0.16 0.92 0.08 0.10 0.00 0.00 175.35 176.29 1jgw s VAL 164 N -1.48 4.46 0.00 1.79 1.01 -0.17 0.38 120.40 126.39 1jgw s VAL 164 Ca -0.13 2.00 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1jgw s VAL 164 Cb -0.06 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1jgw s VAL 164 CO 0.02 0.36 0.23 1.33 0.00 0.00 0.00 175.10 177.05 1jgw n VAL 165 N 2.53 0.00 -3.60 2.92 0.24 0.57 -1.26 118.33 119.73 1jgw n VAL 165 Ca 0.01 -0.44 0.01 0.00 -2.04 0.00 0.00 64.34 61.87 1jgw n VAL 165 Cb 0.49 1.07 -0.01 0.00 -1.47 0.00 0.00 33.84 33.92 1jgw n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jgw s ASP 166 N -0.41 -0.04 -0.12 -1.34 2.15 -1.21 -4.94 116.67 110.77 1jgw s ASP 166 Ca 0.00 -0.04 0.03 0.00 0.43 0.00 0.00 52.55 52.97 1jgw s ASP 166 Cb 0.00 0.07 0.01 0.00 -0.30 0.00 0.00 42.92 42.70 1jgw s ASP 166 CO 0.00 -0.13 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.04 1jgw s ILE 167 N -2.19 1.89 -0.18 4.11 1.01 -1.26 -0.80 121.20 123.78 1jgw s ILE 167 Ca 0.13 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 1jgw s ILE 167 Cb 0.04 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1jgw s ILE 167 CO -0.05 0.52 0.50 0.26 0.00 0.00 0.00 174.94 176.17 1jgw s TRP 168 N 0.69 3.41 0.26 3.97 0.52 0.14 -0.82 118.94 127.11 1jgw s TRP 168 Ca -0.11 0.80 0.11 0.00 0.02 0.00 0.00 56.10 56.91 1jgw s TRP 168 Cb -0.16 -2.63 -0.05 0.00 -1.15 0.00 0.00 33.47 29.49 1jgw s TRP 168 CO 0.02 -0.02 -0.10 0.14 0.02 0.00 0.00 176.95 177.01 1jgw s VAL 169 N 1.32 2.98 -0.32 4.03 -7.23 -0.04 -1.22 120.40 119.91 1jgw s VAL 169 Ca 0.24 -2.09 -0.17 0.00 -1.81 0.00 0.00 61.98 58.15 1jgw s VAL 169 Cb -0.15 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1jgw s VAL 169 CO 0.10 -0.34 0.47 -0.62 -0.31 0.00 0.00 175.10 174.40 1jgw s ASP 170 N -3.47 6.31 0.01 4.85 -1.08 0.21 -1.72 116.67 121.78 1jgw s ASP 170 Ca 0.30 0.09 -0.20 0.00 -0.52 0.00 0.00 52.55 52.22 1jgw s ASP 170 Cb -0.06 -2.25 -0.11 0.00 -1.46 0.00 0.00 42.92 39.04 1jgw s ASP 170 CO 0.17 -0.38 0.99 0.40 0.52 0.00 0.00 175.17 176.87 1jgw h ILE 171 N 5.53 0.00 -0.07 4.11 1.08 -1.58 0.47 117.51 127.06 1jgw h ILE 171 Ca -0.29 -0.22 0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1jgw h ILE 171 Cb 1.14 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1jgw h ILE 171 CO 0.73 0.00 0.09 1.55 -0.69 0.00 0.00 178.15 179.83 1jgw h PRO 172 N -0.92 0.00 -0.27 2.37 0.13 -1.95 -1.87 132.00 129.48 1jgw h PRO 172 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1jgw h PRO 172 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1jgw h PRO 172 CO 0.12 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.28 1jgw n GLU 173 N -3.72 2.85 -3.52 0.86 1.02 -1.24 -5.01 120.64 111.89 1jgw n GLU 173 Ca -0.01 -2.17 -0.20 0.00 -0.02 0.00 0.00 57.16 54.76 1jgw n GLU 173 Cb 0.18 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1jgw n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1jgw n GLN 174 N 0.10 -0.83 -4.14 3.49 6.02 0.11 -4.94 117.38 117.19 1jgw n GLN 174 Ca 0.12 0.27 -0.15 0.00 -0.01 0.00 0.00 57.00 57.24 1jgw n GLN 174 Cb 0.51 -1.32 -0.14 0.00 1.02 0.00 0.00 30.24 30.31 1jgw n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1jgw s MET 175 N -4.70 0.46 -0.22 -1.09 1.75 -0.90 -4.93 119.30 109.68 1jgw s MET 175 Ca 0.10 -0.36 -0.27 0.00 -1.25 0.00 0.00 55.69 53.90 1jgw s MET 175 Cb -0.05 -0.39 0.00 0.00 2.84 0.00 0.00 34.83 37.23 1jgw s MET 175 CO 0.58 0.10 0.96 0.00 -0.65 0.00 0.00 175.02 176.00 1jgw s ALA 176 N -0.50 3.64 -0.11 4.11 0.00 -1.26 0.66 121.76 128.30 1jgw s ALA 176 Ca -0.02 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.10 1jgw s ALA 176 Cb -0.04 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 1jgw s ALA 176 CO -0.00 -0.95 -0.00 0.54 0.00 0.00 0.00 175.76 175.35 1jgw n ARG 177 N 6.04 1.88 -4.06 0.00 1.74 -0.36 -4.83 116.66 117.08 1jgw n ARG 177 Ca 0.09 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.09 1jgw n ARG 177 Cb 0.47 -1.26 -0.11 0.00 -1.02 0.00 0.00 32.46 30.55 1jgw n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jgw s PHE 178 N -2.24 0.50 -0.15 -1.55 0.08 -0.99 -1.18 117.98 112.45 1jgw s PHE 178 Ca -0.08 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.22 1jgw s PHE 178 Cb 0.03 -0.33 -0.01 0.00 -0.57 0.00 0.00 43.02 42.14 1jgw s PHE 178 CO 0.38 -0.23 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.62 1jgw s LEU 179 N -2.18 2.56 -0.21 -0.37 1.43 -0.71 0.25 118.68 119.45 1jgw s LEU 179 Ca -0.04 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 1jgw s LEU 179 Cb -0.02 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1jgw s LEU 179 CO -0.04 0.11 0.56 -0.70 0.23 0.00 0.00 176.35 176.51 1jgw s GLU 180 N 0.65 4.18 -0.07 1.70 2.12 0.02 -1.63 118.70 125.66 1jgw s GLU 180 Ca -0.08 0.48 0.03 0.00 0.36 0.00 0.00 54.97 55.76 1jgw s GLU 180 Cb -0.16 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 1jgw s GLU 180 CO 0.02 -0.21 -0.15 0.08 -0.54 0.00 0.00 175.26 174.47 1jgw s VAL 181 N 1.82 2.99 -0.16 3.70 1.01 0.04 -0.31 120.40 129.48 1jgw s VAL 181 Ca 0.25 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1jgw s VAL 181 Cb -0.16 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1jgw s VAL 181 CO 0.10 0.57 0.26 -0.70 0.00 0.00 0.00 175.10 175.33 1jgw s GLU 182 N -0.36 4.21 0.56 2.72 2.12 0.16 -1.00 118.70 127.11 1jgw s GLU 182 Ca 0.04 0.04 0.03 0.00 0.36 0.00 0.00 54.97 55.43 1jgw s GLU 182 Cb -0.12 -3.41 0.05 0.00 0.26 0.00 0.00 34.13 30.91 1jgw s GLU 182 CO 0.02 0.28 0.78 -0.51 -0.54 0.00 0.00 175.26 175.29 1jgw s LEU 183 N 0.36 3.26 0.44 2.70 1.43 0.59 -1.92 118.68 125.55 1jgw s LEU 183 Ca 0.15 -0.25 0.21 0.00 -1.03 0.00 0.00 54.13 53.21 1jgw s LEU 183 Cb -0.13 -2.51 1.18 0.00 0.03 0.00 0.00 46.19 44.76 1jgw s LEU 183 CO 0.03 -1.24 1.85 0.50 0.23 0.00 0.00 176.35 177.71 1jgw h LYS 184 N 0.07 0.30 -0.17 1.70 3.64 -1.88 -0.52 116.57 119.70 1jgw h LYS 184 Ca -0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1jgw h LYS 184 Cb 1.29 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1jgw h LYS 184 CO 0.47 0.20 0.00 -0.40 -2.27 0.00 0.00 179.45 177.45 1jgw n ASP 185 N -4.47 1.27 0.00 4.20 5.68 -1.26 -4.92 116.55 117.05 1jgw n ASP 185 Ca 0.20 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1jgw n ASP 185 Cb 0.80 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 1jgw n ASP 185 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jgw n GLY 186 N 0.99 0.96 3.95 6.12 0.00 -0.20 -5.06 105.19 111.95 1jgw n GLY 186 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1jgw n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jgw s SER 187 N -3.03 5.91 0.38 1.61 1.04 -1.26 -4.81 113.70 113.54 1jgw s SER 187 Ca 0.00 0.28 0.08 0.00 0.48 0.00 0.00 55.95 56.79 1jgw s SER 187 Cb 0.00 -1.59 -0.06 0.00 0.10 0.00 0.00 66.02 64.48 1jgw s SER 187 CO 0.00 -0.63 0.10 0.42 0.98 0.00 0.00 173.24 174.11 1jgw s THR 188 N -2.50 2.44 0.16 2.02 -4.23 -1.26 -0.30 115.64 111.97 1jgw s THR 188 Ca 0.47 -1.82 -0.07 0.00 -1.18 0.00 0.00 61.69 59.08 1jgw s THR 188 Cb -0.10 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 1jgw s THR 188 CO 0.37 -0.08 0.23 -0.13 -0.54 0.00 0.00 174.62 174.47 1jgw s ARG 189 N -3.81 1.10 0.01 3.99 1.81 -0.17 -4.94 118.95 116.94 1jgw s ARG 189 Ca 0.38 -1.23 0.03 0.00 -1.72 0.00 0.00 55.73 53.18 1jgw s ARG 189 Cb 0.03 0.35 -0.03 0.00 -0.45 0.00 0.00 34.95 34.84 1jgw s ARG 189 CO 0.21 -0.39 -0.04 -0.51 -0.68 0.00 0.00 175.30 173.89 1jgw s LEU 190 N -2.99 3.30 -0.06 2.53 1.43 -1.26 -0.78 118.68 120.85 1jgw s LEU 190 Ca 0.19 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1jgw s LEU 190 Cb 0.04 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.37 1jgw s LEU 190 CO 0.00 0.28 -0.13 -0.76 0.23 0.00 0.00 176.35 175.97 1jgw s LEU 191 N -1.52 1.73 0.22 1.79 1.43 -0.65 -4.96 118.68 116.73 1jgw s LEU 191 Ca 0.18 -0.31 -0.31 0.00 -1.03 0.00 0.00 54.13 52.67 1jgw s LEU 191 Cb -0.11 -0.84 -0.11 0.00 0.03 0.00 0.00 46.19 45.15 1jgw s LEU 191 CO 0.09 0.06 1.60 -2.84 0.23 0.00 0.00 176.35 175.49 1jgw s PRO 192 N 0.48 4.17 0.36 1.29 0.02 -1.26 -1.74 135.00 138.32 1jgw s PRO 192 Ca -0.11 2.48 0.07 0.00 0.02 0.00 0.00 61.00 63.45 1jgw s PRO 192 Cb -0.14 -3.09 0.77 0.00 0.02 0.00 0.00 34.50 32.06 1jgw s PRO 192 CO 0.03 -0.63 1.95 1.98 -0.33 0.00 0.00 177.00 180.00 1jgw h MET 193 N 6.03 0.71 0.00 5.54 4.05 -1.47 -1.48 114.93 128.31 1jgw h MET 193 Ca -0.44 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1jgw h MET 193 Cb 1.21 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 1jgw h MET 193 CO 0.88 0.47 0.00 1.04 0.23 0.00 0.00 176.91 179.52 1jgw n GLN 194 N -4.49 0.24 -0.12 0.39 3.00 -1.26 -3.27 117.38 111.87 1jgw n GLN 194 Ca 0.12 0.09 0.05 0.00 -0.01 0.00 0.00 57.00 57.25 1jgw n GLN 194 Cb 0.27 -1.50 0.11 0.00 0.00 0.00 0.00 30.24 29.13 1jgw n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1jgw n MET 195 N -1.33 2.22 -4.39 -1.09 2.81 -0.56 -5.02 117.12 109.77 1jgw n MET 195 Ca 0.09 -1.77 -0.24 0.00 -1.81 0.00 0.00 57.70 53.98 1jgw n MET 195 Cb 0.19 -1.23 -0.11 0.00 -0.71 0.00 0.00 33.22 31.35 1jgw n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1jgw s VAL 196 N -0.96 2.09 -0.33 2.03 -7.23 -1.20 -4.51 120.40 110.29 1jgw s VAL 196 Ca 0.19 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 1jgw s VAL 196 Cb 0.10 -2.02 0.08 0.00 0.56 0.00 0.00 36.38 35.10 1jgw s VAL 196 CO 0.14 -0.29 0.04 -0.75 -0.31 0.00 0.00 175.10 173.93 1jgw s LYS 197 N -2.94 2.07 -0.08 4.82 2.20 0.28 -4.97 119.74 121.11 1jgw s LYS 197 Ca 0.20 -1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 53.96 1jgw s LYS 197 Cb -0.06 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1jgw s LYS 197 CO 0.09 -0.79 1.29 0.08 -0.36 0.00 0.00 175.35 175.65 1jgw s VAL 198 N 1.11 4.12 0.52 4.02 1.01 -1.26 -1.01 120.40 128.92 1jgw s VAL 198 Ca 0.01 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.44 1jgw s VAL 198 Cb -0.20 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1jgw s VAL 198 CO -0.04 -0.05 0.11 -1.10 0.00 0.00 0.00 175.10 174.01 1jgw s GLN 199 N 2.82 2.21 0.12 2.72 -0.21 0.25 -4.98 119.66 122.59 1jgw s GLN 199 Ca 0.58 -2.31 -0.31 0.00 0.02 0.00 0.00 55.36 53.34 1jgw s GLN 199 Cb -0.25 -1.68 -0.10 0.00 1.00 0.00 0.00 33.01 31.98 1jgw s GLN 199 CO 0.21 -0.43 1.58 0.66 -2.12 0.00 0.00 175.29 175.18 1jgw h SER 200 N 1.18 -1.32 -0.02 5.90 4.64 -2.01 -3.29 113.55 118.63 1jgw h SER 200 Ca -0.42 0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1jgw h SER 200 Cb 1.31 0.50 -0.00 0.00 -0.31 0.00 0.00 62.40 63.90 1jgw h SER 200 CO 0.70 -0.48 -0.12 -0.46 -0.87 0.00 0.00 176.83 175.60 1jgw n ASN 201 N -5.46 2.30 -3.56 4.97 0.23 -1.26 -5.05 115.26 107.43 1jgw n ASN 201 Ca -0.07 -3.29 -0.06 0.00 -0.53 0.00 0.00 54.58 50.63 1jgw n ASN 201 Cb 0.38 -0.47 -0.02 0.00 -2.08 0.00 0.00 39.78 37.60 1jgw n ASN 201 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jgw s ARG 202 N -2.97 0.65 -0.20 -3.83 1.70 -1.24 -4.57 118.95 108.50 1jgw s ARG 202 Ca 0.34 -0.26 -0.03 0.00 -0.47 0.00 0.00 55.73 55.32 1jgw s ARG 202 Cb 0.31 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.97 1jgw s ARG 202 CO 0.01 -0.29 -0.08 0.08 -1.08 0.00 0.00 175.30 173.95 1jgw s VAL 203 N -2.87 3.20 -0.19 4.99 1.01 -0.72 -0.58 120.40 125.25 1jgw s VAL 203 Ca 0.07 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1jgw s VAL 203 Cb -0.01 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1jgw s VAL 203 CO -0.07 0.46 0.10 -2.28 0.00 0.00 0.00 175.10 173.31 1jgw s HIS 204 N 1.18 3.34 -0.44 5.22 2.46 -0.18 -1.24 115.29 125.63 1jgw s HIS 204 Ca 0.02 0.21 0.03 0.00 0.47 0.00 0.00 55.06 55.79 1jgw s HIS 204 Cb -0.14 -2.12 0.12 0.00 -0.13 0.00 0.00 32.58 30.30 1jgw s HIS 204 CO -0.02 0.23 0.17 0.08 -2.47 0.00 0.00 174.74 172.73 1jgw s VAL 205 N 0.35 2.59 -0.03 0.89 1.01 -0.47 -0.56 120.40 124.18 1jgw s VAL 205 Ca 0.06 -2.75 0.27 0.00 0.00 0.00 0.00 61.98 59.56 1jgw s VAL 205 Cb -0.12 -2.83 0.31 0.00 0.00 0.00 0.00 36.38 33.75 1jgw s VAL 205 CO -0.01 -0.71 1.82 -1.13 0.00 0.00 0.00 175.10 175.07 1jgw h ASN 206 N 7.17 0.00 1.87 3.32 -1.24 -1.85 -2.27 115.58 122.58 1jgw h ASN 206 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.95 1jgw h ASN 206 Cb 0.97 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.02 1jgw h ASN 206 CO 0.62 0.10 0.00 0.00 -1.29 0.00 0.00 177.43 176.85 1jgw h ALA 207 N 1.90 1.00 -3.82 1.57 0.00 -1.88 -3.40 119.26 114.63 1jgw h ALA 207 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1jgw h ALA 207 Cb 0.75 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.30 1jgw h ALA 207 CO 0.01 0.00 -0.83 -0.51 0.00 0.00 0.00 179.25 177.93 1jgw s LEU 208 N -5.99 2.23 0.15 0.00 1.43 -1.23 -3.54 118.68 111.75 1jgw s LEU 208 Ca 0.07 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1jgw s LEU 208 Cb 0.06 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1jgw s LEU 208 CO 0.65 0.09 0.30 -0.94 0.23 0.00 0.00 176.35 176.68 1jgw s SER 209 N -1.53 6.35 0.29 2.29 1.04 -1.26 0.77 113.70 121.66 1jgw s SER 209 Ca 0.06 0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.74 1jgw s SER 209 Cb -0.09 -1.94 0.73 0.00 0.10 0.00 0.00 66.02 64.83 1jgw s SER 209 CO 0.03 0.04 1.48 -1.54 0.98 0.00 0.00 173.24 174.23 1jgw n SER 210 N -0.50 -0.10 0.00 7.02 3.41 -1.26 -0.51 113.62 121.68 1jgw n SER 210 Ca -0.06 1.60 0.08 0.00 -0.26 0.00 0.00 58.87 60.23 1jgw n SER 210 Cb 0.54 -0.59 0.47 0.00 -0.26 0.00 0.00 64.21 64.37 1jgw n SER 210 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jgw n ASP 211 N -5.39 0.00 -0.17 4.04 5.75 -1.26 -3.19 116.55 116.32 1jgw n ASP 211 Ca 0.23 -0.52 0.06 0.00 -0.01 0.00 0.00 54.79 54.55 1jgw n ASP 211 Cb 0.74 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.80 1jgw n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jgw n LEU 212 N -0.99 1.06 -0.10 -2.12 4.77 0.33 -4.57 117.00 115.38 1jgw n LEU 212 Ca 0.12 -0.67 -0.02 0.00 -0.03 0.00 0.00 56.01 55.41 1jgw n LEU 212 Cb 0.05 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.37 1jgw n LEU 212 CO 0.09 0.22 0.97 -0.26 -1.33 0.00 0.00 177.39 177.08 1jgw h PHE 213 N 0.85 0.77 -0.02 -1.77 -1.00 -1.66 -2.36 116.94 111.75 1jgw h PHE 213 Ca 0.00 -0.07 -0.07 0.00 2.81 0.00 0.00 57.97 60.65 1jgw h PHE 213 Cb 0.36 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 1jgw h PHE 213 CO 0.00 0.66 -0.30 0.00 -1.61 0.00 0.00 178.31 177.07 1jgw h ALA 214 N 1.39 1.47 0.00 2.45 0.00 -1.82 -2.46 119.26 120.29 1jgw h ALA 214 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jgw h ALA 214 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jgw h ALA 214 CO -0.00 0.39 0.00 0.78 0.00 0.00 0.00 179.25 180.42 1jgw h GLY 215 N 0.93 0.00 -4.62 0.00 0.00 -1.70 -3.45 103.07 94.22 1jgw h GLY 215 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1jgw h GLY 215 CO 0.04 0.00 0.94 1.39 0.00 0.00 0.00 176.54 178.91 1jgw n ILE 216 N -2.36 0.28 -1.68 2.60 5.41 -0.93 -4.90 119.36 117.79 1jgw n ILE 216 Ca 0.03 -0.07 -0.42 0.00 1.00 0.00 0.00 62.75 63.29 1jgw n ILE 216 Cb 0.29 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 37.31 1jgw n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1jgw n PRO 217 N 3.40 1.90 -3.60 0.38 -0.02 -1.26 -5.00 135.00 130.79 1jgw n PRO 217 Ca 0.14 0.67 -0.20 0.00 -2.02 0.00 0.00 63.50 62.10 1jgw n PRO 217 Cb 0.34 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 1jgw n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1jgw s THR 218 N -1.15 4.26 0.05 3.45 -4.23 -1.26 -4.78 115.64 111.99 1jgw s THR 218 Ca 0.58 -1.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.09 1jgw s THR 218 Cb -0.56 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 69.77 1jgw s THR 218 CO 0.60 -0.19 0.06 0.27 -0.54 0.00 0.00 174.62 174.82 1jgw s ILE 219 N -2.15 4.49 -0.02 2.99 -4.36 -1.26 -5.06 121.20 115.83 1jgw s ILE 219 Ca 0.42 -0.68 -0.06 0.00 -0.26 0.00 0.00 60.65 60.07 1jgw s ILE 219 Cb -0.09 -3.12 -0.03 0.00 1.25 0.00 0.00 42.46 40.47 1jgw s ILE 219 CO 0.30 0.21 0.42 0.07 0.24 0.00 0.00 174.94 176.18 1jgw h LYS 220 N 3.62 -0.22 -6.89 0.37 2.10 -2.00 -3.44 116.57 110.10 1jgw h LYS 220 Ca -0.48 0.01 -0.50 0.00 -2.00 0.00 0.00 60.65 57.69 1jgw h LYS 220 Cb 1.17 0.05 0.03 0.00 -0.90 0.00 0.00 32.23 32.58 1jgw h LYS 220 CO 0.64 -0.14 0.47 0.45 -2.00 0.00 0.00 179.45 178.86 1jgw s SER 221 N -3.88 6.89 0.00 7.07 0.15 -1.26 -4.94 113.70 117.74 1jgw s SER 221 Ca -0.03 2.23 0.15 0.00 0.70 0.00 0.00 55.95 58.99 1jgw s SER 221 Cb 0.00 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 62.17 1jgw s SER 221 CO 0.10 -0.41 1.37 -0.81 1.20 0.00 0.00 173.24 174.69 1jgw n PRO 222 N 0.48 1.81 -0.76 5.44 -0.04 -1.26 -4.00 135.00 136.66 1jgw n PRO 222 Ca 0.02 -1.25 0.04 0.00 -0.04 0.00 0.00 63.50 62.27 1jgw n PRO 222 Cb 0.47 -1.32 0.05 0.00 -0.04 0.00 0.00 33.50 32.66 1jgw n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jgw n THR 223 N 0.49 0.57 -3.63 0.52 -2.24 -1.26 -4.98 114.28 103.75 1jgw n THR 223 Ca 0.14 -1.07 -0.06 0.00 -2.27 0.00 0.00 64.05 60.78 1jgw n THR 223 Cb 0.32 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 1jgw n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1jgw s GLU 224 N -0.85 0.29 0.12 -0.78 -1.05 -1.26 -4.69 118.70 110.49 1jgw s GLU 224 Ca 0.20 0.23 0.09 0.00 -0.15 0.00 0.00 54.97 55.34 1jgw s GLU 224 Cb 0.21 0.14 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 1jgw s GLU 224 CO -0.06 -0.06 -0.17 0.14 0.95 0.00 0.00 175.26 176.06 1jgw s VAL 225 N -0.33 2.90 0.29 1.83 -7.23 -1.26 -4.46 120.40 112.14 1jgw s VAL 225 Ca 0.05 -1.48 0.07 0.00 -1.81 0.00 0.00 61.98 58.81 1jgw s VAL 225 Cb -0.03 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 1jgw s VAL 225 CO -0.08 0.10 0.25 0.42 -0.31 0.00 0.00 175.10 175.48 1jgw s THR 226 N -1.15 4.10 0.32 5.32 -4.23 -1.26 -4.27 115.64 114.47 1jgw s THR 226 Ca 0.18 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.37 1jgw s THR 226 Cb -0.11 -3.34 0.29 0.00 1.34 0.00 0.00 72.50 70.69 1jgw s THR 226 CO 0.10 -0.27 1.90 -0.07 -0.54 0.00 0.00 174.62 175.74 1jgw h LEU 227 N 1.36 0.81 -0.67 4.79 3.38 -1.05 0.33 115.31 124.26 1jgw h LEU 227 Ca -0.47 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1jgw h LEU 227 Cb 1.25 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1jgw h LEU 227 CO 0.59 0.49 -0.02 0.25 0.09 0.00 0.00 178.44 179.85 1jgw h LEU 228 N 0.91 0.99 -0.54 1.67 5.85 -1.64 -1.94 115.31 120.60 1jgw h LEU 228 Ca 0.40 -0.28 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 1jgw h LEU 228 Cb 0.36 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1jgw h LEU 228 CO -0.17 1.05 -0.65 -0.33 -0.34 0.00 0.00 178.44 178.00 1jgw h GLU 229 N 0.92 0.31 -0.26 1.25 5.08 -1.53 -2.51 114.58 117.84 1jgw h GLU 229 Ca 0.16 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1jgw h GLU 229 Cb 0.56 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1jgw h GLU 229 CO 0.03 0.85 0.02 0.93 -1.00 0.00 0.00 179.01 179.85 1jgw h GLU 230 N 0.22 0.45 -0.95 2.33 5.08 -0.85 -1.67 114.58 119.19 1jgw h GLU 230 Ca -0.01 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1jgw h GLU 230 Cb 1.19 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1jgw h GLU 230 CO 0.11 0.59 0.62 -0.44 -1.00 0.00 0.00 179.01 178.89 1jgw h ASP 231 N 0.25 1.10 -0.40 1.42 5.19 -1.27 -0.23 116.42 122.47 1jgw h ASP 231 Ca 0.08 -0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 56.36 1jgw h ASP 231 Cb 0.37 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1jgw h ASP 231 CO 0.01 0.81 -0.12 0.11 -3.12 0.00 0.00 179.24 176.92 1jgw h LYS 232 N 1.29 0.79 0.63 3.56 1.57 -1.37 -0.26 116.57 122.79 1jgw h LYS 232 Ca 0.35 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1jgw h LYS 232 Cb -0.13 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.15 1jgw h LYS 232 CO -0.07 0.94 -0.30 0.82 -0.57 0.00 0.00 179.45 180.26 1jgw h ILE 233 N 0.61 0.32 -0.04 1.86 2.04 -0.99 -1.74 117.51 119.56 1jgw h ILE 233 Ca 0.10 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1jgw h ILE 233 Cb 0.66 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1jgw h ILE 233 CO 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 178.15 178.18 1jgw h GLY 235 N -0.05 0.05 0.42 0.00 0.00 -1.08 -1.12 103.07 101.29 1jgw h GLY 235 Ca 0.03 0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.62 1jgw h GLY 235 CO -0.07 -0.17 -0.07 -1.82 0.00 0.00 0.00 176.54 174.40 1jgw h TYR 236 N -0.13 -0.15 -0.57 5.60 5.03 -1.09 -1.06 116.97 124.60 1jgw h TYR 236 Ca 0.15 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 1jgw h TYR 236 Cb 0.36 0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 1jgw h TYR 236 CO -0.35 -0.12 0.04 0.28 -1.32 0.00 0.00 178.16 176.69 1jgw h VAL 237 N 0.00 1.25 -0.52 1.81 2.07 -0.96 -2.77 116.25 117.14 1jgw h VAL 237 Ca 0.14 -1.04 -0.11 0.00 0.82 0.00 0.00 66.70 66.51 1jgw h VAL 237 Cb 0.21 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1jgw h VAL 237 CO -0.30 0.38 -0.10 0.00 0.02 0.00 0.00 177.57 177.57 1jgw h ALA 238 N 1.15 0.84 -0.10 1.67 0.00 -0.94 -2.46 119.26 119.41 1jgw h ALA 238 Ca 0.17 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1jgw h ALA 238 Cb 0.46 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jgw h ALA 238 CO 0.02 0.66 0.12 0.78 0.00 0.00 0.00 179.25 180.83 1jgw h GLY 239 N 0.96 0.00 2.00 0.00 0.00 -0.91 -1.06 103.07 104.05 1jgw h GLY 239 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1jgw h GLY 239 CO 0.04 0.00 -0.10 -1.33 0.00 0.00 0.00 176.54 175.15 1jgw h GLY 240 N 0.00 0.00 1.40 4.60 0.00 -1.29 -1.91 103.07 105.87 1jgw h GLY 240 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.40 1jgw h GLY 240 CO -0.00 0.00 0.36 1.41 0.00 0.00 0.00 176.54 178.31 1jgw h LEU 241 N 0.00 0.58 0.00 3.11 3.38 -1.23 0.20 115.31 121.35 1jgw h LEU 241 Ca -0.00 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.62 1jgw h LEU 241 Cb 0.24 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1jgw h LEU 241 CO 0.01 0.41 -1.85 0.80 0.09 0.00 0.00 178.44 177.90 1jgw n MET 242 N -4.46 0.58 0.18 1.13 1.56 -0.87 -4.56 117.12 110.67 1jgw n MET 242 Ca 0.06 0.43 0.09 0.00 -0.27 0.00 0.00 57.70 58.01 1jgw n MET 242 Cb 0.10 -1.63 0.11 0.00 2.15 0.00 0.00 33.22 33.94 1jgw n MET 242 CO 0.00 0.00 0.00 1.88 -0.73 0.00 0.00 175.97 177.12 1jgw h TYR 243 N -0.98 0.00 -0.01 1.12 0.05 -1.40 -3.31 116.97 112.44 1jgw h TYR 243 Ca -0.51 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.27 1jgw h TYR 243 Cb 1.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.20 1jgw h TYR 243 CO 0.01 0.16 -0.05 0.00 -1.05 0.00 0.00 178.16 177.24 1jgw n ALA 244 N -2.15 2.69 -0.31 3.88 0.00 0.71 -4.02 120.51 121.32 1jgw n ALA 244 Ca 0.03 -0.30 0.20 0.00 0.00 0.00 0.00 53.44 53.38 1jgw n ALA 244 Cb 0.60 -1.34 0.48 0.00 0.00 0.00 0.00 19.45 19.19 1jgw n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgw h ALA 245 N 3.94 2.15 0.00 0.00 0.00 -1.69 -3.46 119.26 120.20 1jgw h ALA 245 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jgw h ALA 245 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jgw h ALA 245 CO 0.00 -0.52 0.00 -2.30 0.00 0.00 0.00 179.25 176.43