#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgx n LEU 12 N 0.00 0.00 -0.36 -2.12 4.77 -1.26 -1.31 117.00 116.72 1jgx n LEU 12 Ca 0.00 0.94 0.02 0.00 -0.03 0.00 0.00 56.01 56.94 1jgx n LEU 12 Cb 0.00 -0.44 0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1jgx n LEU 12 CO 0.00 -0.44 0.59 0.00 -1.33 0.00 0.00 177.39 176.21 1jgx n ALA 13 N -2.36 0.03 0.30 -1.18 0.00 -1.26 0.23 120.51 116.28 1jgx n ALA 13 Ca 0.00 1.00 0.17 0.00 0.00 0.00 0.00 53.44 54.61 1jgx n ALA 13 Cb 0.00 -0.51 0.96 0.00 0.00 0.00 0.00 19.45 19.90 1jgx n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jgx h SER 14 N 0.00 0.00 0.00 0.00 0.87 -1.94 0.72 113.55 113.20 1jgx h SER 14 Ca 0.39 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.88 1jgx h SER 14 Cb 0.63 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1jgx h SER 14 CO -0.96 0.03 -0.42 0.25 -0.53 0.00 0.00 176.83 175.19 1jgx h LEU 15 N 0.00 0.00 -0.80 2.23 5.85 0.42 -3.24 115.31 119.77 1jgx h LEU 15 Ca -0.00 -0.59 0.19 0.00 0.84 0.00 0.00 57.88 58.33 1jgx h LEU 15 Cb 0.10 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 40.99 1jgx h LEU 15 CO 0.00 1.04 0.08 0.00 -0.34 0.00 0.00 178.44 179.22 1jgx h ALA 16 N -0.41 0.96 -0.10 1.25 0.00 0.69 -0.87 119.26 120.77 1jgx h ALA 16 Ca -0.10 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1jgx h ALA 16 Cb 0.87 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1jgx h ALA 16 CO -0.06 -0.43 -0.30 0.97 0.00 0.00 0.00 179.25 179.43 1jgx h ILE 17 N 0.14 1.25 0.11 0.00 6.09 -1.00 -1.99 117.51 122.10 1jgx h ILE 17 Ca 0.46 -1.19 -0.27 0.00 -1.37 0.00 0.00 64.86 62.49 1jgx h ILE 17 Cb 0.86 1.51 0.01 0.00 0.47 0.00 0.00 36.82 39.67 1jgx h ILE 17 CO -0.67 0.36 -1.19 1.88 -3.07 0.00 0.00 178.15 175.46 1jgx h TYR 18 N 0.16 0.69 -0.09 2.19 0.05 -1.22 -2.82 116.97 115.94 1jgx h TYR 18 Ca 0.02 -0.46 0.03 0.00 0.05 0.00 0.00 58.73 58.38 1jgx h TYR 18 Cb 0.62 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.27 1jgx h TYR 18 CO 0.01 1.32 -0.13 0.77 -1.05 0.00 0.00 178.16 179.08 1jgx h SER 19 N 0.17 -0.40 -0.28 3.88 0.02 -1.24 -1.43 113.55 114.25 1jgx h SER 19 Ca -0.15 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 60.94 1jgx h SER 19 Cb 1.88 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 64.54 1jgx h SER 19 CO 0.21 -0.18 -0.18 0.15 -1.14 0.00 0.00 176.83 175.69 1jgx h PHE 20 N -0.18 -0.46 -0.98 3.45 3.57 -1.35 0.11 116.94 121.10 1jgx h PHE 20 Ca 0.08 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1jgx h PHE 20 Cb 0.29 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 1jgx h PHE 20 CO -0.23 -0.26 0.64 -1.49 -2.23 0.00 0.00 178.31 174.74 1jgx h TRP 21 N -0.16 1.19 -0.20 0.41 4.06 -1.17 0.39 115.95 120.47 1jgx h TRP 21 Ca 0.15 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 1jgx h TRP 21 Cb 0.39 -0.39 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1jgx h TRP 21 CO -0.37 0.65 0.06 0.82 -3.56 0.00 0.00 178.44 176.04 1jgx h ILE 22 N 1.19 1.19 0.54 1.49 2.04 -0.40 -2.28 117.51 121.29 1jgx h ILE 22 Ca 0.41 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1jgx h ILE 22 Cb 0.09 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1jgx h ILE 22 CO -0.15 0.19 -0.51 0.15 0.00 0.00 0.00 178.15 177.83 1jgx h PHE 23 N 0.15 -1.41 -0.78 1.37 3.57 0.06 -2.30 116.94 117.61 1jgx h PHE 23 Ca 0.06 0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.80 1jgx h PHE 23 Cb 0.24 0.54 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1jgx h PHE 23 CO 0.00 -0.69 0.72 1.25 -2.23 0.00 0.00 178.31 177.36 1jgx h LEU 24 N -1.04 0.00 0.08 0.59 5.85 -0.16 0.13 115.31 120.76 1jgx h LEU 24 Ca -0.07 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.36 1jgx h LEU 24 Cb 0.89 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.95 1jgx h LEU 24 CO -0.04 0.00 -1.21 0.00 -0.34 0.00 0.00 178.44 176.85 1jgx h ALA 25 N 1.30 0.05 -0.38 1.25 0.00 -0.85 -2.03 119.26 118.60 1jgx h ALA 25 Ca 0.37 -0.78 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1jgx h ALA 25 Cb 1.80 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1jgx h ALA 25 CO -0.00 0.74 -0.27 0.78 0.00 0.00 0.00 179.25 180.50 1jgx h GLY 26 N 0.56 0.86 0.89 0.00 0.00 -0.51 -1.20 103.07 103.67 1jgx h GLY 26 Ca -0.17 -0.77 0.01 0.00 0.00 0.00 0.00 47.33 46.40 1jgx h GLY 26 CO 0.23 0.70 0.05 -2.00 0.00 0.00 0.00 176.54 175.51 1jgx h LEU 27 N 0.68 0.05 -0.02 3.11 5.85 -1.17 0.52 115.31 124.33 1jgx h LEU 27 Ca 0.08 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1jgx h LEU 27 Cb 0.80 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1jgx h LEU 27 CO 0.07 0.05 -0.06 0.40 -0.34 0.00 0.00 178.44 178.56 1jgx h ILE 28 N 0.12 0.85 -0.43 4.05 1.08 -1.19 0.96 117.51 122.94 1jgx h ILE 28 Ca 0.06 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.60 1jgx h ILE 28 Cb 0.04 0.85 -0.09 0.00 -3.07 0.00 0.00 36.82 34.54 1jgx h ILE 28 CO -0.06 0.00 -0.48 0.22 -0.69 0.00 0.00 178.15 177.14 1jgx h TYR 29 N -0.09 -1.43 0.05 1.37 3.20 -0.80 0.40 116.97 119.67 1jgx h TYR 29 Ca 0.03 0.08 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1jgx h TYR 29 Cb 0.13 0.68 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 1jgx h TYR 29 CO -0.14 -0.46 -0.37 -0.92 -1.64 0.00 0.00 178.16 174.63 1jgx h TYR 30 N -0.34 -1.03 -0.78 -3.82 3.20 -0.59 -1.66 116.97 111.94 1jgx h TYR 30 Ca 0.12 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.16 1jgx h TYR 30 Cb 0.59 0.45 -0.05 0.00 1.54 0.00 0.00 36.73 39.25 1jgx h TYR 30 CO -0.68 -0.47 0.52 -0.07 -1.64 0.00 0.00 178.16 175.82 1jgx h LEU 31 N -0.56 0.48 -0.02 2.82 3.38 0.02 -0.72 115.31 120.72 1jgx h LEU 31 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1jgx h LEU 31 Cb 0.62 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1jgx h LEU 31 CO -0.26 0.26 -0.01 -0.61 0.09 0.00 0.00 178.44 177.90 1jgx h GLN 32 N 0.52 0.04 -0.28 1.13 5.75 0.62 -2.83 115.11 120.06 1jgx h GLN 32 Ca 0.38 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.78 1jgx h GLN 32 Cb 0.75 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 1jgx h GLN 32 CO -0.14 0.46 -0.19 1.79 -2.65 0.00 0.00 178.83 178.11 1jgx h THR 33 N -0.39 1.25 -0.57 2.39 1.35 -0.94 -2.17 112.91 113.83 1jgx h THR 33 Ca 0.00 -1.15 0.01 0.00 -0.55 0.00 0.00 66.41 64.73 1jgx h THR 33 Cb 0.45 1.24 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 1jgx h THR 33 CO 0.00 0.37 0.38 -0.33 -0.25 0.00 0.00 175.52 175.69 1jgx h GLU 34 N 0.45 0.73 -0.52 4.72 4.39 -1.15 -0.75 114.58 122.45 1jgx h GLU 34 Ca 0.08 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1jgx h GLU 34 Cb 0.58 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1jgx h GLU 34 CO 0.04 0.48 0.00 0.09 -1.16 0.00 0.00 179.01 178.46 1jgx n ASN 35 N -4.45 0.74 -0.49 1.42 3.02 -0.82 -3.33 115.26 111.35 1jgx n ASN 35 Ca 0.06 -2.02 0.07 0.00 -0.03 0.00 0.00 54.58 52.65 1jgx n ASN 35 Cb 0.06 -0.28 0.17 0.00 -0.61 0.00 0.00 39.78 39.12 1jgx n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1jgx n MET 36 N -0.17 2.50 0.13 3.52 2.81 -0.29 -4.66 117.12 120.96 1jgx n MET 36 Ca 0.01 -2.39 0.13 0.00 -1.81 0.00 0.00 57.70 53.64 1jgx n MET 36 Cb 0.17 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.62 1jgx n MET 36 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jgx h ARG 37 N 1.10 0.00 -5.06 0.03 3.08 -1.70 -3.39 114.38 108.45 1jgx h ARG 37 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 1jgx h ARG 37 Cb 1.03 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.79 1jgx h ARG 37 CO 0.08 0.00 -0.80 -1.21 -1.07 0.00 0.00 179.97 176.97 1jgx s GLU 38 N -3.22 0.99 0.00 0.04 0.41 -1.26 -3.99 118.70 111.66 1jgx s GLU 38 Ca 0.07 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.20 1jgx s GLU 38 Cb 0.11 -0.95 0.00 0.00 -1.78 0.00 0.00 34.13 31.50 1jgx s GLU 38 CO 0.52 0.26 0.00 0.41 -0.49 0.00 0.00 175.26 175.95 1jgx n GLY 39 N 2.80 3.21 3.95 -1.39 0.00 -1.26 -5.04 105.19 107.46 1jgx n GLY 39 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1jgx n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jgx s TYR 40 N -2.18 3.47 0.95 1.61 1.51 -1.26 -4.42 117.35 117.03 1jgx s TYR 40 Ca 0.00 0.09 -0.12 0.00 -1.01 0.00 0.00 57.07 56.03 1jgx s TYR 40 Cb 0.00 -1.65 0.16 0.00 -0.11 0.00 0.00 41.96 40.36 1jgx s TYR 40 CO 0.00 0.48 1.12 -1.25 -1.11 0.00 0.00 175.55 174.79 1jgx s PRO 41 N -3.48 0.86 0.75 -1.71 0.05 -1.26 -4.85 135.00 125.36 1jgx s PRO 41 Ca 0.35 0.37 -0.11 0.00 0.05 0.00 0.00 61.00 61.65 1jgx s PRO 41 Cb -0.10 -1.80 0.04 0.00 0.05 0.00 0.00 34.50 32.69 1jgx s PRO 41 CO 0.29 -2.41 1.09 -0.51 0.05 0.00 0.00 177.00 175.51 1jgx s LEU 42 N -6.20 2.78 0.20 -3.56 1.43 -1.26 -4.97 118.68 107.09 1jgx s LEU 42 Ca 0.64 1.30 -0.03 0.00 -1.03 0.00 0.00 54.13 55.01 1jgx s LEU 42 Cb -0.16 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 1jgx s LEU 42 CO 0.55 -1.68 0.18 -1.61 0.23 0.00 0.00 176.35 174.02 1jgx s GLU 43 N -5.20 1.22 0.78 1.70 2.02 -1.26 -2.04 118.70 115.92 1jgx s GLU 43 Ca 0.59 -1.53 -0.09 0.00 0.02 0.00 0.00 54.97 53.97 1jgx s GLU 43 Cb -0.13 0.30 0.11 0.00 0.10 0.00 0.00 34.13 34.51 1jgx s GLU 43 CO 0.54 -0.41 1.11 -0.80 0.02 0.00 0.00 175.26 175.71 1jgx s ASN 44 N -3.11 4.30 0.60 -0.19 0.01 0.11 -4.59 114.94 112.07 1jgx s ASN 44 Ca 0.34 0.33 0.40 0.00 -0.71 0.00 0.00 52.86 53.21 1jgx s ASN 44 Cb 0.06 -0.78 2.01 0.00 0.41 0.00 0.00 41.25 42.95 1jgx s ASN 44 CO 0.10 -1.95 2.20 -0.33 -1.51 0.00 0.00 177.10 175.61 1jgx h GLU 45 N -0.90 0.00 -0.01 -0.60 5.08 -2.01 0.70 114.58 116.85 1jgx h GLU 45 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1jgx h GLU 45 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1jgx h GLU 45 CO 0.53 0.00 -0.12 -0.40 -1.00 0.00 0.00 179.01 178.02 1jgx n ASP 46 N -3.00 0.86 0.00 1.42 5.68 -1.26 -4.94 116.55 115.32 1jgx n ASP 46 Ca -0.02 -0.94 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 1jgx n ASP 46 Cb 0.14 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1jgx n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jgx n GLY 47 N 1.25 0.62 3.96 6.12 0.00 0.24 -5.07 105.19 112.31 1jgx n GLY 47 Ca 0.16 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1jgx n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgx s THR 48 N -2.00 5.19 0.16 2.61 -4.23 -1.26 -4.80 115.64 111.30 1jgx s THR 48 Ca 0.00 -0.72 -0.33 0.00 -1.18 0.00 0.00 61.69 59.46 1jgx s THR 48 Cb 0.00 -3.86 -0.13 0.00 1.34 0.00 0.00 72.50 69.85 1jgx s THR 48 CO 0.00 -0.43 1.63 -2.65 -0.54 0.00 0.00 174.62 172.63 1jgx n PRO 49 N -1.56 2.29 -2.26 3.99 -0.02 -1.26 -0.71 135.00 135.47 1jgx n PRO 49 Ca -0.07 0.83 -0.37 0.00 -2.02 0.00 0.00 63.50 61.87 1jgx n PRO 49 Cb 0.56 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 1jgx n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jgx s ALA 50 N 1.17 2.93 0.02 3.55 0.00 -0.87 -4.64 121.76 123.93 1jgx s ALA 50 Ca 0.79 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 53.53 1jgx s ALA 50 Cb -0.64 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.03 1jgx s ALA 50 CO 0.37 -0.67 1.20 0.00 0.00 0.00 0.00 175.76 176.66 1jgx h ALA 51 N 1.91 -1.07 -2.71 0.00 0.00 -1.91 -3.42 119.26 112.05 1jgx h ALA 51 Ca -0.49 -0.10 -0.57 0.00 0.00 0.00 0.00 54.91 53.75 1jgx h ALA 51 Cb 1.25 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 1jgx h ALA 51 CO 0.60 -1.05 0.06 1.21 0.00 0.00 0.00 179.25 180.06 1jgx s ASN 52 N -2.76 6.85 0.00 0.00 2.47 -1.26 -4.94 114.94 115.30 1jgx s ASN 52 Ca -0.07 1.03 0.14 0.00 0.42 0.00 0.00 52.86 54.38 1jgx s ASN 52 Cb 0.01 -2.37 0.09 0.00 -1.45 0.00 0.00 41.25 37.53 1jgx s ASN 52 CO 0.21 -0.14 0.91 0.00 -3.72 0.00 0.00 177.10 174.37 1jgx n GLN 53 N 4.09 1.13 0.00 0.43 1.13 -1.26 -4.95 117.38 117.94 1jgx n GLN 53 Ca -0.02 -1.23 0.00 0.00 -1.94 0.00 0.00 57.00 53.81 1jgx n GLN 53 Cb 0.51 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.60 1jgx n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jgx n GLY 54 N 0.84 0.45 0.14 1.08 0.00 -1.26 -4.75 105.19 101.68 1jgx n GLY 54 Ca 0.08 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 1jgx n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jgx h PRO 55 N 0.00 0.39 -6.57 1.61 0.13 -2.05 -3.44 132.00 122.07 1jgx h PRO 55 Ca 0.00 -0.22 -0.53 0.00 -0.87 0.00 0.00 66.00 64.39 1jgx h PRO 55 Cb 0.00 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.17 1jgx h PRO 55 CO 0.00 0.79 0.69 -0.06 -0.23 0.00 0.00 178.00 179.19 1jgx s PHE 56 N -4.22 3.27 0.79 1.56 0.08 -1.26 -5.04 117.98 113.16 1jgx s PHE 56 Ca -0.14 1.05 -0.09 0.00 0.12 0.00 0.00 56.93 57.87 1jgx s PHE 56 Cb 0.05 -3.63 0.11 0.00 -0.57 0.00 0.00 43.02 38.98 1jgx s PHE 56 CO 0.76 -2.14 1.11 -1.25 -0.10 0.00 0.00 175.22 173.60 1jgx s PRO 57 N 0.85 1.68 0.41 0.24 0.04 -1.26 -5.04 135.00 131.92 1jgx s PRO 57 Ca 0.62 -0.39 -0.23 0.00 0.04 0.00 0.00 61.00 61.04 1jgx s PRO 57 Cb -0.36 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 1jgx s PRO 57 CO 0.32 -1.62 0.99 -0.51 0.04 0.00 0.00 177.00 176.21 1jgx s LEU 58 N -5.44 4.06 0.63 -3.56 1.43 -1.26 -4.81 118.68 109.73 1jgx s LEU 58 Ca 0.65 1.85 -0.08 0.00 -1.03 0.00 0.00 54.13 55.52 1jgx s LEU 58 Cb -0.08 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 41.80 1jgx s LEU 58 CO 0.47 -0.41 0.98 -2.16 0.23 0.00 0.00 176.35 175.46 1jgx s PRO 59 N -2.78 2.98 0.56 1.29 0.04 -1.26 -5.02 135.00 130.81 1jgx s PRO 59 Ca 0.59 0.24 -0.19 0.00 0.04 0.00 0.00 61.00 61.69 1jgx s PRO 59 Cb -0.16 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1jgx s PRO 59 CO 0.20 -0.79 1.11 0.15 0.04 0.00 0.00 177.00 177.72 1jgx s LYS 60 N -5.13 3.33 0.64 4.56 1.02 -1.26 -4.70 119.74 118.20 1jgx s LYS 60 Ca 0.55 1.53 -0.18 0.00 0.02 0.00 0.00 55.97 57.89 1jgx s LYS 60 Cb -0.11 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1jgx s LYS 60 CO 0.48 -0.85 1.26 -2.14 -0.92 0.00 0.00 175.35 173.18 1jgx s PRO 61 N -3.43 2.62 0.11 -1.68 0.02 -1.26 -4.66 135.00 126.71 1jgx s PRO 61 Ca 0.71 1.95 0.05 0.00 0.02 0.00 0.00 61.00 63.73 1jgx s PRO 61 Cb -0.22 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 1jgx s PRO 61 CO 0.29 -1.52 -0.13 -1.59 -0.33 0.00 0.00 177.00 173.72 1jgx s LYS 62 N -3.44 0.94 -0.10 5.54 -2.85 -0.30 -4.94 119.74 114.59 1jgx s LYS 62 Ca 0.80 -1.17 0.02 0.00 -1.00 0.00 0.00 55.97 54.62 1jgx s LYS 62 Cb -0.34 -0.77 0.01 0.00 -2.06 0.00 0.00 37.83 34.67 1jgx s LYS 62 CO 0.38 0.14 -0.15 0.99 0.10 0.00 0.00 175.35 176.81 1jgx s THR 63 N -2.13 1.48 -0.01 3.79 2.01 -1.26 -2.33 115.64 117.19 1jgx s THR 63 Ca 0.06 -0.65 -0.13 0.00 0.31 0.00 0.00 61.69 61.29 1jgx s THR 63 Cb -0.05 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 1jgx s THR 63 CO 0.02 0.44 0.36 -0.36 -0.69 0.00 0.00 174.62 174.39 1jgx s PHE 64 N 0.86 3.69 -0.81 4.92 0.08 0.16 -4.95 117.98 121.92 1jgx s PHE 64 Ca -0.09 0.89 -0.09 0.00 0.12 0.00 0.00 56.93 57.75 1jgx s PHE 64 Cb -0.15 -2.21 0.21 0.00 -0.57 0.00 0.00 43.02 40.29 1jgx s PHE 64 CO 0.01 0.64 0.71 0.42 -0.10 0.00 0.00 175.22 176.90 1jgx s ILE 65 N -1.12 4.96 0.32 0.64 1.09 -1.26 -2.12 121.20 123.71 1jgx s ILE 65 Ca 0.24 -2.89 -0.28 0.00 -1.10 0.00 0.00 60.65 56.62 1jgx s ILE 65 Cb -0.16 -4.09 -0.13 0.00 -1.06 0.00 0.00 42.46 37.03 1jgx s ILE 65 CO 0.13 -1.01 1.30 0.18 -0.10 0.00 0.00 174.94 175.43 1jgx n LEU 66 N 3.49 3.42 -4.80 2.97 4.77 -0.78 -4.96 117.00 121.12 1jgx n LEU 66 Ca 0.14 1.20 -0.30 0.00 -0.03 0.00 0.00 56.01 57.02 1jgx n LEU 66 Cb 0.42 -1.47 0.19 0.00 -2.33 0.00 0.00 43.42 40.23 1jgx n LEU 66 CO 0.35 -0.52 0.76 -2.16 -1.33 0.00 0.00 177.39 174.49 1jgx s PRO 67 N -1.64 0.21 -1.64 3.23 0.04 -1.26 -4.16 135.00 129.78 1jgx s PRO 67 Ca 0.57 -0.14 -0.03 0.00 0.04 0.00 0.00 61.00 61.44 1jgx s PRO 67 Cb -0.58 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1jgx s PRO 67 CO 0.60 -2.74 0.38 0.72 0.04 0.00 0.00 177.00 176.00 1jgx n HIS 68 N -4.06 -1.62 -0.74 0.56 8.25 -1.26 -2.15 115.22 114.20 1jgx n HIS 68 Ca 0.13 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1jgx n HIS 68 Cb 0.59 -4.29 0.00 0.00 1.12 0.00 0.00 29.99 27.42 1jgx n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgx n GLY 69 N -1.33 0.45 0.00 -1.41 0.00 -1.26 -4.83 105.19 96.81 1jgx n GLY 69 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1jgx n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgx n ARG 70 N -1.95 0.00 0.00 1.61 5.12 -0.91 -4.93 116.66 115.60 1jgx n ARG 70 Ca 0.00 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.13 1jgx n ARG 70 Cb 0.01 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 29.76 1jgx n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jgx n GLY 71 N -1.17 -0.22 3.54 -0.13 0.00 -1.26 -4.91 105.19 101.05 1jgx n GLY 71 Ca 0.00 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 1jgx n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgx s THR 72 N 0.00 0.84 -0.14 2.61 -4.23 -1.26 -1.86 115.64 111.60 1jgx s THR 72 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1jgx s THR 72 Cb 0.00 -2.42 0.05 0.00 1.34 0.00 0.00 72.50 71.46 1jgx s THR 72 CO 0.00 0.00 0.36 -0.22 -0.54 0.00 0.00 174.62 174.22 1jgx s LEU 73 N -3.63 0.31 -0.13 4.79 2.96 -0.90 -4.88 118.68 117.20 1jgx s LEU 73 Ca 0.24 0.75 -0.01 0.00 -0.22 0.00 0.00 54.13 54.89 1jgx s LEU 73 Cb 0.04 1.18 0.03 0.00 0.50 0.00 0.00 46.19 47.93 1jgx s LEU 73 CO 0.13 -0.16 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.05 1jgx s THR 74 N 0.88 1.00 0.00 3.68 2.01 -1.26 -0.67 115.64 121.28 1jgx s THR 74 Ca -0.06 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.64 1jgx s THR 74 Cb -0.06 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 1jgx s THR 74 CO -0.07 0.28 -0.18 0.68 -0.69 0.00 0.00 174.62 174.65 1jgx s VAL 75 N 1.71 1.40 0.85 3.82 -7.23 -0.99 -3.75 120.40 116.21 1jgx s VAL 75 Ca 0.04 -0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 1jgx s VAL 75 Cb -0.13 -1.19 0.10 0.00 0.56 0.00 0.00 36.38 35.72 1jgx s VAL 75 CO -0.08 0.31 1.09 -2.16 -0.31 0.00 0.00 175.10 173.95 1jgx s PRO 76 N -0.64 1.66 0.23 4.82 0.04 -1.26 -1.15 135.00 138.71 1jgx s PRO 76 Ca 0.06 0.79 -0.21 0.00 0.04 0.00 0.00 61.00 61.68 1jgx s PRO 76 Cb -0.07 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.67 1jgx s PRO 76 CO 0.00 -1.95 0.93 0.20 0.04 0.00 0.00 177.00 176.22 1jgx s GLY 77 N -3.60 0.07 -0.36 0.56 0.00 -1.25 -4.81 107.32 97.94 1jgx s GLY 77 Ca 0.62 -0.31 -0.41 0.00 0.00 0.00 0.00 44.72 44.62 1jgx s GLY 77 CO 0.56 0.92 1.87 -1.05 0.00 0.00 0.00 173.10 175.40 1jgx n PRO 78 N -0.58 0.82 -3.41 2.90 -0.02 -1.26 -4.93 135.00 128.52 1jgx n PRO 78 Ca -0.05 0.28 -0.39 0.00 -2.02 0.00 0.00 63.50 61.32 1jgx n PRO 78 Cb 0.60 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.99 1jgx n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jgx s GLU 79 N 4.35 4.07 -0.10 -0.52 0.41 -1.26 -5.07 118.70 120.58 1jgx s GLU 79 Ca 1.05 0.06 -0.06 0.00 -0.41 0.00 0.00 54.97 55.61 1jgx s GLU 79 Cb -1.15 -3.61 0.04 0.00 -1.78 0.00 0.00 34.13 27.63 1jgx s GLU 79 CO 0.65 -0.17 0.23 0.45 -0.49 0.00 0.00 175.26 175.93 1jgx s SER 80 N 1.41 -0.24 0.49 -0.19 0.15 -1.26 -5.02 113.70 109.03 1jgx s SER 80 Ca 0.15 0.48 0.22 0.00 0.70 0.00 0.00 55.95 57.51 1jgx s SER 80 Cb -0.15 0.40 1.25 0.00 -1.71 0.00 0.00 66.02 65.81 1jgx s SER 80 CO 0.09 -0.14 2.03 -0.33 1.20 0.00 0.00 173.24 176.09 1jgx h GLU 81 N 6.78 0.00 -5.98 5.44 4.39 -2.01 -3.47 114.58 119.74 1jgx h GLU 81 Ca -0.36 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 58.89 1jgx h GLU 81 Cb 1.17 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.70 1jgx h GLU 81 CO 0.38 0.16 -0.67 -0.25 -1.16 0.00 0.00 179.01 177.47 1jgx n ASP 82 N -3.88 -3.76 -3.55 1.42 8.00 -1.26 -4.53 116.55 108.99 1jgx n ASP 82 Ca -0.02 -0.63 -0.07 0.00 0.71 0.00 0.00 54.79 54.77 1jgx n ASP 82 Cb 0.25 -3.08 -0.03 0.00 -0.02 0.00 0.00 41.12 38.24 1jgx n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jgx s ARG 83 N -6.38 0.58 0.37 -1.24 1.70 -1.26 -4.94 118.95 107.78 1jgx s ARG 83 Ca 0.55 -0.12 -0.23 0.00 -0.47 0.00 0.00 55.73 55.46 1jgx s ARG 83 Cb -0.29 0.27 -0.10 0.00 -0.57 0.00 0.00 34.95 34.26 1jgx s ARG 83 CO 0.67 -0.24 0.93 -1.25 -1.08 0.00 0.00 175.30 174.34 1jgx s PRO 84 N -2.34 4.37 -0.33 3.89 0.04 -1.26 -5.05 135.00 134.32 1jgx s PRO 84 Ca 0.05 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.28 1jgx s PRO 84 Cb -0.01 -2.48 0.08 0.00 0.04 0.00 0.00 34.50 32.13 1jgx s PRO 84 CO -0.05 0.13 0.03 0.42 0.04 0.00 0.00 177.00 177.57 1jgx s ILE 85 N -1.91 2.55 -1.24 0.56 -1.09 -1.26 -5.03 121.20 113.79 1jgx s ILE 85 Ca 0.56 -1.97 -0.20 0.00 -2.23 0.00 0.00 60.65 56.81 1jgx s ILE 85 Cb -0.13 -2.70 -0.01 0.00 -1.58 0.00 0.00 42.46 38.04 1jgx s ILE 85 CO 0.18 -0.40 1.86 0.00 -1.23 0.00 0.00 174.94 175.35 1jgx n ALA 86 N 4.42 2.94 -2.95 9.38 0.00 -1.26 -4.86 120.51 128.17 1jgx n ALA 86 Ca -0.04 -3.48 -0.10 0.00 0.00 0.00 0.00 53.44 49.81 1jgx n ALA 86 Cb 0.42 -3.55 -0.10 0.00 0.00 0.00 0.00 19.45 16.22 1jgx n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jgx s LEU 87 N 6.76 1.71 0.01 0.00 1.43 -1.26 -2.54 118.68 124.78 1jgx s LEU 87 Ca 0.60 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1jgx s LEU 87 Cb 0.03 0.60 -0.01 0.00 0.03 0.00 0.00 46.19 46.84 1jgx s LEU 87 CO 0.10 -0.42 -0.03 0.00 0.23 0.00 0.00 176.35 176.23 1jgx s ALA 88 N -1.88 0.20 0.62 4.21 0.00 0.01 -4.85 121.76 120.08 1jgx s ALA 88 Ca -0.11 -0.26 -0.19 0.00 0.00 0.00 0.00 51.96 51.40 1jgx s ALA 88 Cb -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1jgx s ALA 88 CO -0.01 -0.01 1.31 0.50 0.00 0.00 0.00 175.76 177.55 1jgx s ARG 89 N -0.51 2.70 0.00 0.00 3.52 -1.26 -1.29 118.95 122.11 1jgx s ARG 89 Ca -0.04 2.09 0.03 0.00 -0.13 0.00 0.00 55.73 57.69 1jgx s ARG 89 Cb -0.04 -1.94 0.08 0.00 -1.56 0.00 0.00 34.95 31.50 1jgx s ARG 89 CO -0.00 -1.50 1.03 0.25 -0.81 0.00 0.00 175.30 174.27 1jgx n THR 90 N -1.70 0.90 -3.45 4.11 -2.24 -1.24 -4.80 114.28 105.87 1jgx n THR 90 Ca 0.15 -0.95 -0.12 0.00 -2.27 0.00 0.00 64.05 60.85 1jgx n THR 90 Cb 0.47 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1jgx n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jgx s ALA 91 N -0.93 -1.56 -2.05 6.98 0.00 -1.26 -5.03 121.76 117.91 1jgx s ALA 91 Ca 0.06 0.52 0.11 0.00 0.00 0.00 0.00 51.96 52.65 1jgx s ALA 91 Cb 0.03 0.79 0.51 0.00 0.00 0.00 0.00 23.12 24.46 1jgx s ALA 91 CO 0.04 -0.72 1.35 1.33 0.00 0.00 0.00 175.76 177.76 1jgx n VAL 92 N -0.25 0.14 -4.37 0.00 0.24 -1.26 -4.86 118.33 107.96 1jgx n VAL 92 Ca -0.17 -0.16 -0.19 0.00 -2.04 0.00 0.00 64.34 61.78 1jgx n VAL 92 Cb 0.64 0.03 -0.10 0.00 -1.47 0.00 0.00 33.84 32.95 1jgx n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jgx s SER 93 N -1.26 1.72 0.92 -1.34 1.04 -1.26 -5.15 113.70 108.36 1jgx s SER 93 Ca 0.18 -1.48 -0.12 0.00 0.48 0.00 0.00 55.95 55.01 1jgx s SER 93 Cb 0.09 0.25 0.14 0.00 0.10 0.00 0.00 66.02 66.60 1jgx s SER 93 CO 0.14 -0.79 1.12 -1.61 0.98 0.00 0.00 173.24 173.08 1jgx s GLU 94 N -3.89 1.10 0.00 4.02 8.01 -1.26 -4.33 118.70 122.34 1jgx s GLU 94 Ca 0.35 0.37 0.00 0.00 0.01 0.00 0.00 54.97 55.70 1jgx s GLU 94 Cb 0.06 -1.83 0.00 0.00 -4.31 0.00 0.00 34.13 28.06 1jgx s GLU 94 CO 0.15 -2.24 0.00 0.41 0.01 0.00 0.00 175.26 173.59 1jgx n GLY 95 N -1.98 1.18 3.75 -1.39 0.00 -1.26 -5.06 105.19 100.43 1jgx n GLY 95 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1jgx n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jgx s PHE 96 N -3.17 2.94 0.70 1.61 0.40 -1.26 -5.09 117.98 114.10 1jgx s PHE 96 Ca 0.00 -0.15 -0.16 0.00 -0.60 0.00 0.00 56.93 56.01 1jgx s PHE 96 Cb 0.00 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.22 1jgx s PHE 96 CO 0.00 0.56 1.19 -2.30 0.70 0.00 0.00 175.22 175.37 1jgx n PRO 97 N -0.99 0.75 -4.34 0.24 -0.02 -1.26 -4.86 135.00 124.52 1jgx n PRO 97 Ca -0.07 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.38 1jgx n PRO 97 Cb 0.58 -2.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 1jgx n PRO 97 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1jgx s HIS 98 N -1.66 2.87 0.34 6.00 3.76 -1.26 -3.59 115.29 121.75 1jgx s HIS 98 Ca 0.78 -0.88 -0.13 0.00 -0.15 0.00 0.00 55.06 54.68 1jgx s HIS 98 Cb -0.35 -1.96 -0.08 0.00 1.11 0.00 0.00 32.58 31.29 1jgx s HIS 98 CO 0.45 -0.42 0.74 0.00 -0.85 0.00 0.00 174.74 174.67 1jgx s ALA 99 N 0.92 3.34 -0.10 -1.40 0.00 -0.41 -4.78 121.76 119.33 1jgx s ALA 99 Ca -0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 1jgx s ALA 99 Cb -0.15 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 1jgx s ALA 99 CO -0.00 0.24 1.35 -2.14 0.00 0.00 0.00 175.76 175.21 1jgx s PRO 100 N -3.24 4.25 0.00 0.00 0.02 -1.26 -0.81 135.00 133.96 1jgx s PRO 100 Ca 0.53 1.82 0.21 0.00 0.02 0.00 0.00 61.00 63.58 1jgx s PRO 100 Cb -0.10 -3.74 1.07 0.00 0.02 0.00 0.00 34.50 31.74 1jgx s PRO 100 CO 0.22 -0.67 1.71 0.25 -0.33 0.00 0.00 177.00 178.17 1jgx n THR 101 N 5.16 0.06 -0.04 0.99 -2.24 -1.05 -4.88 114.28 112.28 1jgx n THR 101 Ca 0.14 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1jgx n THR 101 Cb 0.44 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1jgx n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgx n GLY 102 N 0.93 4.60 3.49 3.38 0.00 -1.26 -5.04 105.19 111.29 1jgx n GLY 102 Ca 0.16 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1jgx n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jgx s ASP 103 N 1.55 6.28 0.32 1.61 -1.08 -1.26 -4.93 116.67 119.17 1jgx s ASP 103 Ca 0.00 -0.61 0.09 0.00 -0.52 0.00 0.00 52.55 51.51 1jgx s ASP 103 Cb 0.00 -2.35 0.87 0.00 -1.46 0.00 0.00 42.92 39.97 1jgx s ASP 103 CO 0.00 -1.01 1.75 1.55 0.52 0.00 0.00 175.17 177.97 1jgx h PRO 104 N 9.11 0.60 0.34 4.34 0.13 -1.91 0.79 132.00 145.39 1jgx h PRO 104 Ca -0.27 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1jgx h PRO 104 Cb 1.09 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1jgx h PRO 104 CO 1.01 0.40 -0.16 0.52 -0.23 0.00 0.00 178.00 179.53 1jgx h MET 105 N 0.62 -0.43 -0.50 0.86 2.86 -1.91 0.11 114.93 116.52 1jgx h MET 105 Ca 0.62 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 58.25 1jgx h MET 105 Cb 1.16 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 1jgx h MET 105 CO -0.43 -0.20 0.16 -0.22 1.06 0.00 0.00 176.91 177.27 1jgx h LYS 106 N -0.59 0.78 0.00 1.72 1.63 -1.57 -3.13 116.57 115.41 1jgx h LYS 106 Ca -0.05 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 1jgx h LYS 106 Cb 0.43 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1jgx h LYS 106 CO 0.08 0.73 0.00 -0.25 -3.45 0.00 0.00 179.45 176.55 1jgx n ASP 107 N -4.50 0.62 -2.08 4.20 8.00 0.26 -4.97 116.55 118.08 1jgx n ASP 107 Ca 0.02 0.57 -0.09 0.00 0.71 0.00 0.00 54.79 55.99 1jgx n ASP 107 Cb 0.19 -0.73 0.04 0.00 -0.02 0.00 0.00 41.12 40.60 1jgx n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jgx n GLY 108 N 1.15 0.14 3.57 0.44 0.00 0.34 -4.77 105.19 106.05 1jgx n GLY 108 Ca 0.05 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1jgx n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jgx s VAL 109 N -3.16 2.45 0.00 1.61 -7.23 -1.01 -3.94 120.40 109.11 1jgx s VAL 109 Ca 0.12 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1jgx s VAL 109 Cb -0.05 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1jgx s VAL 109 CO 0.35 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 1jgx n GLY 110 N -0.82 2.24 0.00 2.32 0.00 -1.26 -2.36 105.19 105.30 1jgx n GLY 110 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1jgx n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jgx n PRO 111 N 9.40 0.00 -0.35 1.61 -0.04 -1.26 -0.89 135.00 143.47 1jgx n PRO 111 Ca 0.00 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1jgx n PRO 111 Cb 0.00 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.14 1jgx n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jgx n ALA 112 N -1.06 3.00 -1.39 0.55 0.00 -1.00 -1.64 120.51 118.98 1jgx n ALA 112 Ca 0.00 -2.94 -0.31 0.00 0.00 0.00 0.00 53.44 50.19 1jgx n ALA 112 Cb 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 19.45 19.13 1jgx n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jgx s SER 113 N -2.99 4.86 0.06 0.00 0.01 -0.07 -3.87 113.70 111.70 1jgx s SER 113 Ca 0.36 1.81 -0.05 0.00 1.31 0.00 0.00 55.95 59.38 1jgx s SER 113 Cb 0.33 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 1jgx s SER 113 CO -0.01 -1.80 0.09 -1.66 0.41 0.00 0.00 173.24 170.27 1jgx s TRP 114 N -2.81 0.29 0.08 2.43 1.48 -1.25 -4.37 118.94 114.79 1jgx s TRP 114 Ca 0.62 -0.72 0.06 0.00 -1.06 0.00 0.00 56.10 54.99 1jgx s TRP 114 Cb -0.17 -0.19 -0.04 0.00 -1.16 0.00 0.00 33.47 31.91 1jgx s TRP 114 CO 0.52 -0.43 -0.07 0.08 -4.06 0.00 0.00 176.95 172.99 1jgx s VAL 115 N -3.49 3.58 -1.32 -0.66 1.01 -1.26 -5.03 120.40 113.23 1jgx s VAL 115 Ca 0.02 -1.10 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 1jgx s VAL 115 Cb 0.04 -2.66 0.10 0.00 0.00 0.00 0.00 36.38 33.86 1jgx s VAL 115 CO -0.09 0.17 1.81 0.00 0.00 0.00 0.00 175.10 177.00 1jgx n ALA 116 N 0.84 4.36 -1.93 5.51 0.00 -1.26 -4.84 120.51 123.19 1jgx n ALA 116 Ca -0.13 -4.01 -0.26 0.00 0.00 0.00 0.00 53.44 49.04 1jgx n ALA 116 Cb 0.52 -3.38 0.08 0.00 0.00 0.00 0.00 19.45 16.67 1jgx n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jgx s ARG 117 N 2.85 2.11 0.41 0.00 0.52 -1.26 -5.00 118.95 118.58 1jgx s ARG 117 Ca 0.48 -0.26 -0.25 0.00 -0.52 0.00 0.00 55.73 55.17 1jgx s ARG 117 Cb 0.06 -2.15 -0.10 0.00 0.52 0.00 0.00 34.95 33.28 1jgx s ARG 117 CO 0.01 -1.31 1.22 0.54 0.02 0.00 0.00 175.30 175.78 1jgx n ARG 118 N -2.98 1.82 -2.10 3.54 1.74 -1.26 -4.22 116.66 113.21 1jgx n ARG 118 Ca 0.08 0.65 -0.39 0.00 -0.77 0.00 0.00 57.85 57.42 1jgx n ARG 118 Cb 0.60 -2.30 -0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1jgx n ARG 118 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1jgx n ASP 119 N 0.33 7.71 -4.20 0.55 2.03 -1.26 -1.85 116.55 119.86 1jgx n ASP 119 Ca 0.07 -3.31 -0.12 0.00 0.52 0.00 0.00 54.79 51.96 1jgx n ASP 119 Cb 0.39 -1.29 -0.10 0.00 -0.72 0.00 0.00 41.12 39.40 1jgx n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jgx s LEU 120 N -2.75 1.64 0.30 -2.67 1.43 -1.26 -4.90 118.68 110.46 1jgx s LEU 120 Ca 0.51 -1.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1jgx s LEU 120 Cb 0.22 0.24 -0.03 0.00 0.03 0.00 0.00 46.19 46.65 1jgx s LEU 120 CO -0.13 -0.73 0.45 -2.16 0.23 0.00 0.00 176.35 174.00 1jgx s PRO 121 N -4.06 3.37 -0.07 1.29 0.05 -1.26 0.58 135.00 134.90 1jgx s PRO 121 Ca 0.30 -0.68 -0.30 0.00 0.05 0.00 0.00 61.00 60.37 1jgx s PRO 121 Cb 0.07 -2.80 -0.03 0.00 0.05 0.00 0.00 34.50 31.80 1jgx s PRO 121 CO 0.06 0.25 1.15 -2.00 0.05 0.00 0.00 177.00 176.51 1jgx s GLU 122 N -4.14 4.37 0.23 4.56 2.12 -1.26 -4.88 118.70 119.70 1jgx s GLU 122 Ca 0.38 1.60 -0.08 0.00 0.36 0.00 0.00 54.97 57.23 1jgx s GLU 122 Cb -0.09 -3.56 -0.07 0.00 0.26 0.00 0.00 34.13 30.68 1jgx s GLU 122 CO 0.32 -0.42 0.53 -0.51 -0.54 0.00 0.00 175.26 174.64 1jgx s LEU 123 N 2.19 4.15 0.00 2.70 1.43 -1.26 -0.71 118.68 127.18 1jgx s LEU 123 Ca 0.54 0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 54.46 1jgx s LEU 123 Cb -0.23 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.42 1jgx s LEU 123 CO 0.21 -0.09 0.24 -0.90 0.23 0.00 0.00 176.35 176.04 1jgx n ASP 124 N -0.28 0.15 -0.09 2.29 5.68 0.14 -4.76 116.55 119.69 1jgx n ASP 124 Ca -0.00 -1.17 0.25 0.00 -0.50 0.00 0.00 54.79 53.37 1jgx n ASP 124 Cb 0.53 -0.17 0.71 0.00 -1.14 0.00 0.00 41.12 41.05 1jgx n ASP 124 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1jgx h GLY 125 N -0.24 0.00 -0.85 6.12 0.00 -1.99 -1.56 103.07 104.55 1jgx h GLY 125 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1jgx h GLY 125 CO 0.07 0.00 -0.24 1.42 0.00 0.00 0.00 176.54 177.79 1jgx n HIS 126 N -4.28 0.00 -0.06 5.60 8.25 -1.26 -4.94 115.22 118.53 1jgx n HIS 126 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1jgx n HIS 126 Cb 0.79 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.88 1jgx n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgx n GLY 127 N 1.35 0.85 3.94 -1.41 0.00 -0.59 -5.08 105.19 104.26 1jgx n GLY 127 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1jgx n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jgx s HIS 128 N -2.03 3.46 0.29 1.61 3.76 -1.26 -4.75 115.29 116.37 1jgx s HIS 128 Ca 0.00 0.35 -0.30 0.00 -0.15 0.00 0.00 55.06 54.97 1jgx s HIS 128 Cb 0.00 -1.99 -0.11 0.00 1.11 0.00 0.00 32.58 31.59 1jgx s HIS 128 CO 0.00 0.02 1.53 -0.80 -0.85 0.00 0.00 174.74 174.63 1jgx s ASN 129 N -4.07 6.46 0.11 1.40 -0.87 -1.26 0.27 114.94 116.98 1jgx s ASN 129 Ca 0.42 2.87 -0.05 0.00 -1.57 0.00 0.00 52.86 54.53 1jgx s ASN 129 Cb -0.10 -2.64 -0.14 0.00 -0.02 0.00 0.00 41.25 38.36 1jgx s ASN 129 CO 0.37 -0.83 1.26 0.50 -2.57 0.00 0.00 177.10 175.83 1jgx h LYS 130 N 4.63 0.41 -5.33 -0.60 3.64 -1.22 -3.43 116.57 114.68 1jgx h LYS 130 Ca -0.47 -0.48 -0.66 0.00 -1.27 0.00 0.00 60.65 57.76 1jgx h LYS 130 Cb 1.22 0.15 -0.29 0.00 -0.41 0.00 0.00 32.23 32.90 1jgx h LYS 130 CO 0.77 1.15 -0.80 0.42 -2.27 0.00 0.00 179.45 178.71 1jgx s ILE 131 N -3.16 2.70 0.02 2.00 -1.09 -1.26 -1.51 121.20 118.91 1jgx s ILE 131 Ca -0.06 -0.79 -0.02 0.00 -2.23 0.00 0.00 60.65 57.56 1jgx s ILE 131 Cb 0.08 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.84 1jgx s ILE 131 CO 0.88 0.54 0.00 -0.54 -1.23 0.00 0.00 174.94 174.59 1jgx s LYS 132 N 0.35 0.40 0.66 2.79 1.02 -0.80 -4.66 119.74 119.49 1jgx s LYS 132 Ca -0.14 -0.67 -0.16 0.00 0.02 0.00 0.00 55.97 55.02 1jgx s LYS 132 Cb -0.17 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 1jgx s LYS 132 CO 0.07 -0.08 1.18 -1.25 -0.92 0.00 0.00 175.35 174.35 1jgx s PRO 133 N -1.87 2.63 0.48 -1.68 0.04 -1.26 -0.66 135.00 132.69 1jgx s PRO 133 Ca -0.12 1.68 0.19 0.00 0.04 0.00 0.00 61.00 62.79 1jgx s PRO 133 Cb -0.07 -1.90 1.20 0.00 0.04 0.00 0.00 34.50 33.77 1jgx s PRO 133 CO -0.02 -1.44 2.05 1.98 0.04 0.00 0.00 177.00 179.61 1jgx h MET 134 N 0.24 0.00 0.00 4.56 4.05 -1.10 -1.85 114.93 120.83 1jgx h MET 134 Ca -0.48 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.92 1jgx h MET 134 Cb 1.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1jgx h MET 134 CO 0.53 0.14 -0.06 1.57 0.23 0.00 0.00 176.91 179.31 1jgx h LYS 135 N 0.00 0.00 -0.03 0.39 2.10 -1.89 -0.29 116.57 116.86 1jgx h LYS 135 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jgx h LYS 135 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1jgx h LYS 135 CO 0.02 0.06 -0.09 0.00 -2.00 0.00 0.00 179.45 177.45 1jgx n ALA 136 N -2.31 2.67 -3.16 0.07 0.00 -0.71 -4.77 120.51 112.30 1jgx n ALA 136 Ca -0.02 -0.65 -0.46 0.00 0.00 0.00 0.00 53.44 52.31 1jgx n ALA 136 Cb 0.16 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1jgx n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgx s ALA 137 N -2.09 3.71 0.17 0.00 0.00 -0.12 -4.97 121.76 118.45 1jgx s ALA 137 Ca 0.27 -2.89 -0.32 0.00 0.00 0.00 0.00 51.96 49.03 1jgx s ALA 137 Cb 0.20 -3.67 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 1jgx s ALA 137 CO 0.35 -2.50 1.78 0.00 0.00 0.00 0.00 175.76 175.40 1jgx n ALA 138 N 5.31 2.53 0.00 0.00 0.00 -1.26 -1.84 120.51 125.25 1jgx n ALA 138 Ca 0.11 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1jgx n ALA 138 Cb 0.46 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1jgx n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgx n GLY 139 N 4.10 3.34 3.74 0.00 0.00 -1.26 -5.04 105.19 110.07 1jgx n GLY 139 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1jgx n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jgx s PHE 140 N -2.48 3.85 0.11 1.61 0.40 -0.77 -5.05 117.98 115.66 1jgx s PHE 140 Ca 0.00 1.77 -0.19 0.00 -0.60 0.00 0.00 56.93 57.91 1jgx s PHE 140 Cb 0.00 -2.98 0.05 0.00 0.51 0.00 0.00 43.02 40.60 1jgx s PHE 140 CO 0.00 0.30 0.46 -3.38 0.70 0.00 0.00 175.22 173.30 1jgx s HIS 141 N -0.39 -0.31 -0.22 0.36 -3.43 -1.26 -4.98 115.29 105.05 1jgx s HIS 141 Ca 0.43 0.09 -0.29 0.00 -0.80 0.00 0.00 55.06 54.50 1jgx s HIS 141 Cb -0.24 0.33 -0.02 0.00 -1.43 0.00 0.00 32.58 31.23 1jgx s HIS 141 CO 0.29 -0.71 1.44 0.08 -2.00 0.00 0.00 174.74 173.84 1jgx s VAL 142 N -3.49 3.96 -0.12 -5.38 1.01 -1.26 -4.88 120.40 110.23 1jgx s VAL 142 Ca 0.01 1.10 0.19 0.00 0.00 0.00 0.00 61.98 63.28 1jgx s VAL 142 Cb 0.01 -3.90 -0.24 0.00 0.00 0.00 0.00 36.38 32.25 1jgx s VAL 142 CO -0.10 -0.31 0.45 -1.54 0.00 0.00 0.00 175.10 173.61 1jgx n SER 143 N 7.68 0.29 -3.85 3.32 3.41 -1.26 -5.01 113.62 118.20 1jgx n SER 143 Ca 0.16 0.13 -0.09 0.00 -0.26 0.00 0.00 58.87 58.81 1jgx n SER 143 Cb 0.45 1.02 -0.06 0.00 -0.26 0.00 0.00 64.21 65.36 1jgx n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgx s ALA 144 N -2.95 -0.32 0.11 7.33 0.00 -1.26 -5.13 121.76 119.54 1jgx s ALA 144 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1jgx s ALA 144 Cb 0.09 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.92 1jgx s ALA 144 CO 0.85 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1jgx n GLY 145 N -0.18 -1.89 3.77 0.00 0.00 -1.26 -4.84 105.19 100.79 1jgx n GLY 145 Ca -0.12 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 1jgx n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jgx s LYS 146 N -1.98 4.03 -0.20 1.61 2.47 -1.26 -4.99 119.74 119.42 1jgx s LYS 146 Ca 0.00 1.83 -0.21 0.00 -1.56 0.00 0.00 55.97 56.03 1jgx s LYS 146 Cb 0.00 -2.66 -0.02 0.00 -1.46 0.00 0.00 37.83 33.69 1jgx s LYS 146 CO 0.00 -0.34 0.66 1.21 0.16 0.00 0.00 175.35 177.04 1jgx s ASN 147 N -1.15 6.70 0.20 1.43 3.84 -1.26 -4.96 114.94 119.74 1jgx s ASN 147 Ca 0.57 0.86 0.08 0.00 0.21 0.00 0.00 52.86 54.58 1jgx s ASN 147 Cb -0.30 -2.36 0.08 0.00 -0.55 0.00 0.00 41.25 38.11 1jgx s ASN 147 CO 0.38 -0.31 1.45 1.55 -2.79 0.00 0.00 177.10 177.38 1jgx h PRO 148 N 7.53 0.03 -6.25 0.43 0.13 -1.97 -3.45 132.00 128.44 1jgx h PRO 148 Ca -0.30 -0.03 -0.66 0.00 -0.87 0.00 0.00 66.00 64.14 1jgx h PRO 148 Cb 1.14 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.30 1jgx h PRO 148 CO 0.78 0.82 0.95 -0.89 -0.23 0.00 0.00 178.00 179.43 1jgx n ILE 149 N -3.60 0.38 0.00 -3.56 5.41 -1.26 -0.61 119.36 116.12 1jgx n ILE 149 Ca -0.01 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1jgx n ILE 149 Cb 0.77 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 1jgx n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jgx n GLY 150 N 4.08 2.09 3.78 7.39 0.00 0.35 -5.01 105.19 117.86 1jgx n GLY 150 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1jgx n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jgx s LEU 151 N 0.00 3.82 0.46 0.99 1.43 0.22 -4.72 118.68 120.88 1jgx s LEU 151 Ca 0.00 2.07 -0.18 0.00 -1.03 0.00 0.00 54.13 55.00 1jgx s LEU 151 Cb 0.00 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.59 1jgx s LEU 151 CO 0.00 -0.99 0.93 -2.16 0.23 0.00 0.00 176.35 174.36 1jgx s PRO 152 N -3.20 4.04 -0.21 1.29 0.04 -1.26 -1.15 135.00 134.54 1jgx s PRO 152 Ca 0.69 0.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.65 1jgx s PRO 152 Cb -0.21 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1jgx s PRO 152 CO 0.24 -0.13 -0.04 0.08 0.04 0.00 0.00 177.00 177.19 1jgx s VAL 153 N -2.39 3.44 0.06 -0.36 1.01 0.14 -1.94 120.40 120.37 1jgx s VAL 153 Ca 0.59 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1jgx s VAL 153 Cb -0.10 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1jgx s VAL 153 CO 0.23 0.43 0.14 -0.60 0.00 0.00 0.00 175.10 175.30 1jgx s ARG 154 N 1.31 3.16 0.46 2.72 3.52 -0.74 0.83 118.95 130.22 1jgx s ARG 154 Ca 0.04 -0.55 0.08 0.00 -0.13 0.00 0.00 55.73 55.17 1jgx s ARG 154 Cb -0.14 -2.89 0.01 0.00 -1.56 0.00 0.00 34.95 30.36 1jgx s ARG 154 CO -0.02 0.60 0.46 0.20 -0.81 0.00 0.00 175.30 175.73 1jgx s GLY 155 N -2.35 2.11 0.00 8.12 0.00 -0.03 -1.49 107.32 113.68 1jgx s GLY 155 Ca 0.31 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1jgx s GLY 155 CO 0.23 -1.71 0.83 0.00 0.00 0.00 0.00 173.10 172.45 1jgx n ASP 157 N -1.33 4.50 -2.18 0.00 5.75 -1.26 -1.74 116.55 120.29 1jgx n ASP 157 Ca 0.00 -2.67 -0.20 0.00 -0.01 0.00 0.00 54.79 51.91 1jgx n ASP 157 Cb 0.05 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 39.56 1jgx n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jgx n LEU 158 N 0.45 -1.75 -4.57 -2.12 4.77 0.20 -4.98 117.00 109.00 1jgx n LEU 158 Ca 0.23 0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 56.01 1jgx n LEU 158 Cb 0.90 -2.84 -0.11 0.00 -2.33 0.00 0.00 43.42 39.04 1jgx n LEU 158 CO 0.21 -0.44 -0.37 -0.70 -1.33 0.00 0.00 177.39 174.76 1jgx s GLU 159 N -4.67 2.93 0.20 3.23 2.56 -1.25 -4.84 118.70 116.86 1jgx s GLU 159 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 54.97 54.13 1jgx s GLU 159 Cb 0.00 -2.65 -0.08 0.00 2.00 0.00 0.00 34.13 33.39 1jgx s GLU 159 CO 0.00 0.58 1.23 0.42 -0.56 0.00 0.00 175.26 176.93 1jgx s ILE 160 N -0.59 3.42 0.00 -3.70 -1.09 -1.26 -0.85 121.20 117.13 1jgx s ILE 160 Ca 0.09 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1jgx s ILE 160 Cb -0.12 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1jgx s ILE 160 CO 0.02 0.20 0.00 0.00 -1.23 0.00 0.00 174.94 173.93 1jgx n ALA 161 N 2.35 1.98 -3.00 9.38 0.00 0.24 -4.93 120.51 126.53 1jgx n ALA 161 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1jgx n ALA 161 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1jgx n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgx n GLY 162 N 2.37 0.79 2.95 0.00 0.00 -1.17 -4.08 105.19 106.05 1jgx n GLY 162 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1jgx n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jgx s LYS 163 N 0.34 0.20 -0.16 1.61 -2.85 -0.40 0.28 119.74 118.76 1jgx s LYS 163 Ca 0.00 -0.30 -0.28 0.00 -1.00 0.00 0.00 55.97 54.39 1jgx s LYS 163 Cb 0.00 0.08 -0.01 0.00 -2.06 0.00 0.00 37.83 35.84 1jgx s LYS 163 CO 0.00 -0.04 0.94 0.08 0.10 0.00 0.00 175.35 176.43 1jgx s VAL 164 N -0.80 4.80 -1.06 1.79 1.01 -0.30 0.14 120.40 125.98 1jgx s VAL 164 Ca -0.09 1.87 0.09 0.00 0.00 0.00 0.00 61.98 63.84 1jgx s VAL 164 Cb -0.05 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.16 1jgx s VAL 164 CO -0.00 -0.03 0.79 1.33 0.00 0.00 0.00 175.10 177.19 1jgx n VAL 165 N 4.80 0.04 -3.63 2.92 0.24 -0.10 -0.50 118.33 122.10 1jgx n VAL 165 Ca 0.08 -0.52 -0.01 0.00 -2.04 0.00 0.00 64.34 61.85 1jgx n VAL 165 Cb 0.48 1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 33.99 1jgx n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jgx s ASP 166 N -0.72 -0.01 -0.20 -1.34 2.15 -1.23 -4.91 116.67 110.41 1jgx s ASP 166 Ca 0.10 -0.00 -0.02 0.00 0.43 0.00 0.00 52.55 53.06 1jgx s ASP 166 Cb 0.07 0.01 -0.00 0.00 -0.30 0.00 0.00 42.92 42.70 1jgx s ASP 166 CO 0.11 -0.01 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.37 1jgx s ILE 167 N -2.02 2.99 -0.00 4.11 1.01 -1.26 -0.57 121.20 125.45 1jgx s ILE 167 Ca 0.13 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 59.90 1jgx s ILE 167 Cb 0.01 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 1jgx s ILE 167 CO -0.03 0.46 0.75 0.26 0.00 0.00 0.00 174.94 176.38 1jgx s TRP 168 N 1.36 3.67 0.24 3.97 0.52 -0.05 -0.44 118.94 128.20 1jgx s TRP 168 Ca 0.05 1.40 0.11 0.00 0.02 0.00 0.00 56.10 57.67 1jgx s TRP 168 Cb -0.14 -2.82 -0.05 0.00 -1.15 0.00 0.00 33.47 29.31 1jgx s TRP 168 CO -0.05 0.19 -0.21 0.14 0.02 0.00 0.00 176.95 177.04 1jgx s VAL 169 N 0.31 2.33 -0.39 4.03 -7.23 0.17 -1.85 120.40 117.78 1jgx s VAL 169 Ca 0.39 -2.23 -0.19 0.00 -1.81 0.00 0.00 61.98 58.14 1jgx s VAL 169 Cb -0.19 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.57 1jgx s VAL 169 CO 0.21 -0.31 0.55 -0.62 -0.31 0.00 0.00 175.10 174.62 1jgx s ASP 170 N -3.14 6.30 0.02 4.85 -1.08 0.31 -1.91 116.67 122.02 1jgx s ASP 170 Ca 0.25 -0.22 -0.25 0.00 -0.52 0.00 0.00 52.55 51.81 1jgx s ASP 170 Cb -0.06 -2.28 -0.18 0.00 -1.46 0.00 0.00 42.92 38.94 1jgx s ASP 170 CO 0.12 -0.60 1.41 0.40 0.52 0.00 0.00 175.17 177.03 1jgx h ILE 171 N 5.72 1.27 -0.11 4.11 1.08 -1.58 0.20 117.51 128.20 1jgx h ILE 171 Ca -0.27 -0.82 -0.12 0.00 -0.39 0.00 0.00 64.86 63.26 1jgx h ILE 171 Cb 1.11 1.79 -0.01 0.00 -3.07 0.00 0.00 36.82 36.64 1jgx h ILE 171 CO 0.82 0.22 -0.48 1.55 -0.69 0.00 0.00 178.15 179.57 1jgx h PRO 172 N -0.30 0.27 -0.00 2.37 0.13 -1.94 -2.84 132.00 129.69 1jgx h PRO 172 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1jgx h PRO 172 Cb 0.35 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.49 1jgx h PRO 172 CO 0.00 0.69 -0.64 0.39 -0.23 0.00 0.00 178.00 178.21 1jgx n GLU 173 N -3.97 0.05 -3.66 0.86 -0.58 -1.25 -4.97 120.64 107.12 1jgx n GLU 173 Ca -0.02 -0.04 -0.30 0.00 -0.42 0.00 0.00 57.16 56.38 1jgx n GLU 173 Cb 0.53 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.94 1jgx n GLU 173 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1jgx n GLN 174 N -1.44 -1.46 -4.13 3.49 6.02 0.63 -4.99 117.38 115.49 1jgx n GLN 174 Ca 0.05 0.48 -0.15 0.00 -0.01 0.00 0.00 57.00 57.37 1jgx n GLN 174 Cb 0.34 -4.27 -0.14 0.00 1.02 0.00 0.00 30.24 27.18 1jgx n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1jgx s MET 175 N -5.90 0.38 0.07 -1.09 1.75 -0.74 -4.93 119.30 108.83 1jgx s MET 175 Ca 0.45 -0.16 -0.31 0.00 -1.25 0.00 0.00 55.69 54.41 1jgx s MET 175 Cb -0.15 -0.37 -0.07 0.00 2.84 0.00 0.00 34.83 37.07 1jgx s MET 175 CO 0.85 0.10 1.43 0.00 -0.65 0.00 0.00 175.02 176.75 1jgx s ALA 176 N -0.08 3.60 -0.06 4.11 0.00 -1.26 -0.53 121.76 127.54 1jgx s ALA 176 Ca 0.01 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.02 1jgx s ALA 176 Cb -0.02 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1jgx s ALA 176 CO -0.00 -0.79 -0.06 0.54 0.00 0.00 0.00 175.76 175.46 1jgx n ARG 177 N 4.67 0.13 -4.22 0.00 1.74 -0.77 -4.86 116.66 113.36 1jgx n ARG 177 Ca 0.13 0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 57.12 1jgx n ARG 177 Cb 0.42 -0.99 -0.10 0.00 -1.02 0.00 0.00 32.46 30.77 1jgx n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jgx s PHE 178 N -2.11 1.12 -0.10 -1.55 0.08 -1.14 -0.44 117.98 113.85 1jgx s PHE 178 Ca -0.08 -0.83 0.03 0.00 0.12 0.00 0.00 56.93 56.17 1jgx s PHE 178 Cb 0.02 -0.60 -0.01 0.00 -0.57 0.00 0.00 43.02 41.86 1jgx s PHE 178 CO 0.12 -0.02 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.52 1jgx s LEU 179 N -3.12 2.41 -0.17 -0.37 1.43 -0.00 -0.87 118.68 117.97 1jgx s LEU 179 Ca 0.15 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 1jgx s LEU 179 Cb 0.04 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 1jgx s LEU 179 CO -0.01 0.20 0.56 -0.70 0.23 0.00 0.00 176.35 176.62 1jgx s GLU 180 N 0.12 4.24 -0.12 1.70 2.12 0.27 -1.37 118.70 125.65 1jgx s GLU 180 Ca -0.09 0.51 0.01 0.00 0.36 0.00 0.00 54.97 55.76 1jgx s GLU 180 Cb -0.15 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 1jgx s GLU 180 CO 0.06 -0.11 -0.17 0.08 -0.54 0.00 0.00 175.26 174.58 1jgx s VAL 181 N 1.47 2.65 -0.17 3.70 1.01 0.33 -0.93 120.40 128.47 1jgx s VAL 181 Ca 0.27 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 1jgx s VAL 181 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1jgx s VAL 181 CO 0.11 0.54 0.56 -0.70 0.00 0.00 0.00 175.10 175.60 1jgx s GLU 182 N 0.37 4.24 0.48 2.72 2.12 0.36 -0.99 118.70 128.01 1jgx s GLU 182 Ca -0.14 0.52 -0.00 0.00 0.36 0.00 0.00 54.97 55.71 1jgx s GLU 182 Cb -0.17 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1jgx s GLU 182 CO 0.07 -0.11 0.71 -0.51 -0.54 0.00 0.00 175.26 174.88 1jgx s LEU 183 N 1.48 3.53 0.33 2.70 1.43 0.31 -1.27 118.68 127.19 1jgx s LEU 183 Ca 0.27 0.28 0.09 0.00 -1.03 0.00 0.00 54.13 53.74 1jgx s LEU 183 Cb -0.16 -3.15 0.97 0.00 0.03 0.00 0.00 46.19 43.88 1jgx s LEU 183 CO 0.11 -0.82 1.54 1.17 0.23 0.00 0.00 176.35 178.58 1jgx n LYS 184 N -2.18 -0.07 -0.45 1.70 3.00 -1.26 -0.00 118.16 118.90 1jgx n LYS 184 Ca 0.03 1.43 -0.08 0.00 -0.00 0.00 0.00 58.31 59.69 1jgx n LYS 184 Cb 0.58 -2.38 0.05 0.00 0.00 0.00 0.00 35.03 33.28 1jgx n LYS 184 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1jgx n ASP 185 N -5.38 3.88 0.00 3.14 5.68 -1.26 -4.83 116.55 117.78 1jgx n ASP 185 Ca 0.29 -2.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 1jgx n ASP 185 Cb 0.95 -0.71 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1jgx n ASP 185 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jgx n GLY 186 N 0.20 0.04 3.95 6.12 0.00 0.99 -4.96 105.19 111.54 1jgx n GLY 186 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1jgx n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jgx s SER 187 N -2.03 5.88 0.35 1.61 1.04 -1.24 -4.79 113.70 114.52 1jgx s SER 187 Ca 0.00 0.29 0.09 0.00 0.48 0.00 0.00 55.95 56.81 1jgx s SER 187 Cb 0.00 -1.58 -0.07 0.00 0.10 0.00 0.00 66.02 64.48 1jgx s SER 187 CO 0.00 -0.65 -0.07 0.42 0.98 0.00 0.00 173.24 173.91 1jgx s THR 188 N -2.52 2.13 0.11 2.02 -4.23 -1.26 0.11 115.64 112.00 1jgx s THR 188 Ca 0.47 -2.16 -0.04 0.00 -1.18 0.00 0.00 61.69 58.79 1jgx s THR 188 Cb -0.10 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.02 1jgx s THR 188 CO 0.38 -0.17 0.10 -0.13 -0.54 0.00 0.00 174.62 174.26 1jgx s ARG 189 N -3.64 0.88 -0.08 3.99 1.81 -0.16 -4.93 118.95 116.81 1jgx s ARG 189 Ca 0.33 -1.25 -0.02 0.00 -1.72 0.00 0.00 55.73 53.07 1jgx s ARG 189 Cb 0.04 0.28 -0.03 0.00 -0.45 0.00 0.00 34.95 34.78 1jgx s ARG 189 CO 0.16 -0.26 0.02 -0.51 -0.68 0.00 0.00 175.30 174.04 1jgx s LEU 190 N -2.97 3.67 -0.04 2.53 1.43 -1.26 -0.51 118.68 121.53 1jgx s LEU 190 Ca 0.15 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.47 1jgx s LEU 190 Cb 0.06 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 1jgx s LEU 190 CO -0.04 0.37 -0.19 -0.76 0.23 0.00 0.00 176.35 175.96 1jgx s LEU 191 N -0.96 1.97 0.28 1.79 1.43 -0.47 -4.94 118.68 117.77 1jgx s LEU 191 Ca 0.14 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 1jgx s LEU 191 Cb -0.11 -1.05 -0.11 0.00 0.03 0.00 0.00 46.19 44.94 1jgx s LEU 191 CO 0.03 0.19 1.56 -2.84 0.23 0.00 0.00 176.35 175.51 1jgx s PRO 192 N -0.09 4.16 0.32 1.29 0.02 -1.26 -0.82 135.00 138.61 1jgx s PRO 192 Ca -0.02 2.51 0.01 0.00 0.02 0.00 0.00 61.00 63.52 1jgx s PRO 192 Cb -0.11 -3.04 0.52 0.00 0.02 0.00 0.00 34.50 31.89 1jgx s PRO 192 CO 0.02 -0.58 1.91 1.98 -0.33 0.00 0.00 177.00 180.00 1jgx h MET 193 N 4.89 0.80 0.00 5.54 4.05 -1.08 -2.35 114.93 126.78 1jgx h MET 193 Ca -0.47 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 1jgx h MET 193 Cb 1.22 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 1jgx h MET 193 CO 0.79 0.64 0.00 1.96 0.23 0.00 0.00 176.91 180.53 1jgx h GLN 194 N 0.80 0.00 -0.69 0.39 7.50 -1.90 -2.94 115.11 118.27 1jgx h GLN 194 Ca 0.20 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.35 1jgx h GLN 194 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.65 1jgx h GLN 194 CO -0.02 0.00 0.00 -1.33 -1.50 0.00 0.00 178.83 175.98 1jgx n MET 195 N -2.82 3.21 -4.24 1.46 2.81 -0.88 -4.97 117.12 111.69 1jgx n MET 195 Ca 0.00 -2.77 -0.21 0.00 -1.81 0.00 0.00 57.70 52.92 1jgx n MET 195 Cb 0.23 -1.72 -0.12 0.00 -0.71 0.00 0.00 33.22 30.90 1jgx n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1jgx s VAL 196 N -1.41 1.43 -0.36 2.03 -7.23 -1.11 -4.41 120.40 109.34 1jgx s VAL 196 Ca 0.50 -1.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.12 1jgx s VAL 196 Cb 0.29 -1.39 0.08 0.00 0.56 0.00 0.00 36.38 35.92 1jgx s VAL 196 CO 0.29 -0.20 0.13 -0.75 -0.31 0.00 0.00 175.10 174.25 1jgx s LYS 197 N -2.04 2.26 -0.44 4.82 2.20 -0.01 -4.99 119.74 121.54 1jgx s LYS 197 Ca 0.04 -1.53 -0.29 0.00 -0.36 0.00 0.00 55.97 53.83 1jgx s LYS 197 Cb -0.09 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1jgx s LYS 197 CO 0.03 -0.86 1.21 0.08 -0.36 0.00 0.00 175.35 175.46 1jgx s VAL 198 N 1.23 4.14 0.36 4.02 1.01 -1.26 -0.70 120.40 129.20 1jgx s VAL 198 Ca 0.02 1.19 0.08 0.00 0.00 0.00 0.00 61.98 63.27 1jgx s VAL 198 Cb -0.21 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 1jgx s VAL 198 CO -0.02 -0.89 0.22 -1.10 0.00 0.00 0.00 175.10 173.31 1jgx s GLN 199 N 4.51 2.48 0.19 2.72 -0.21 0.24 -5.00 119.66 124.59 1jgx s GLN 199 Ca 0.52 -1.50 -0.11 0.00 0.02 0.00 0.00 55.36 54.28 1jgx s GLN 199 Cb -0.10 -2.27 0.24 0.00 1.00 0.00 0.00 33.01 31.89 1jgx s GLN 199 CO 0.30 0.05 1.19 -1.13 -2.12 0.00 0.00 175.29 173.59 1jgx n SER 200 N -1.27 -0.43 -0.49 5.90 3.41 -1.26 -2.22 113.62 117.26 1jgx n SER 200 Ca -0.02 1.33 0.06 0.00 -0.26 0.00 0.00 58.87 59.99 1jgx n SER 200 Cb 0.61 -0.34 0.11 0.00 -0.26 0.00 0.00 64.21 64.33 1jgx n SER 200 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1jgx n ASN 201 N -5.17 1.45 -3.58 4.04 0.23 -1.26 -5.08 115.26 105.89 1jgx n ASN 201 Ca 0.09 -2.87 -0.05 0.00 -0.53 0.00 0.00 54.58 51.23 1jgx n ASN 201 Cb 0.33 -0.38 -0.02 0.00 -2.08 0.00 0.00 39.78 37.64 1jgx n ASN 201 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jgx s ARG 202 N -1.87 0.48 -0.24 -3.83 1.70 -0.94 -4.62 118.95 109.62 1jgx s ARG 202 Ca 0.26 -0.19 -0.03 0.00 -0.47 0.00 0.00 55.73 55.30 1jgx s ARG 202 Cb 0.25 0.21 0.01 0.00 -0.57 0.00 0.00 34.95 34.85 1jgx s ARG 202 CO -0.03 -0.21 -0.06 0.08 -1.08 0.00 0.00 175.30 174.01 1jgx s VAL 203 N -2.62 3.05 -0.17 4.99 1.01 -0.82 0.83 120.40 126.67 1jgx s VAL 203 Ca 0.09 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1jgx s VAL 203 Cb -0.00 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1jgx s VAL 203 CO -0.05 0.29 0.17 -2.28 0.00 0.00 0.00 175.10 173.22 1jgx s HIS 204 N 1.39 3.46 -0.26 5.22 2.46 0.12 -1.78 115.29 125.90 1jgx s HIS 204 Ca 0.03 0.43 0.01 0.00 0.47 0.00 0.00 55.06 55.99 1jgx s HIS 204 Cb -0.16 -2.16 0.05 0.00 -0.13 0.00 0.00 32.58 30.18 1jgx s HIS 204 CO -0.04 0.36 -0.09 0.08 -2.47 0.00 0.00 174.74 172.58 1jgx s VAL 205 N 0.11 2.44 -0.04 0.89 1.01 -0.56 -0.83 120.40 123.42 1jgx s VAL 205 Ca 0.11 -1.42 -0.20 0.00 0.00 0.00 0.00 61.98 60.48 1jgx s VAL 205 Cb -0.12 -2.35 -0.32 0.00 0.00 0.00 0.00 36.38 33.59 1jgx s VAL 205 CO 0.00 0.05 0.86 -1.13 0.00 0.00 0.00 175.10 174.88 1jgx h ASN 206 N 7.87 0.53 0.00 3.32 -0.00 -1.85 -2.27 115.58 123.18 1jgx h ASN 206 Ca -0.24 -0.93 0.00 0.00 -0.00 0.00 0.00 56.30 55.12 1jgx h ASN 206 Cb 1.07 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 39.21 1jgx h ASN 206 CO 0.51 1.49 0.25 0.00 -0.00 0.00 0.00 177.43 179.68 1jgx h ALA 207 N 0.07 1.24 -3.30 1.57 0.00 -1.87 -3.37 119.26 113.61 1jgx h ALA 207 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.36 1jgx h ALA 207 Cb 1.76 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 19.34 1jgx h ALA 207 CO 0.16 -0.24 -0.76 -0.51 0.00 0.00 0.00 179.25 177.89 1jgx s LEU 208 N -5.71 2.28 0.12 0.00 1.43 -1.26 -3.32 118.68 112.23 1jgx s LEU 208 Ca -0.04 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1jgx s LEU 208 Cb 0.09 -0.40 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 1jgx s LEU 208 CO 0.29 -0.13 0.33 -0.94 0.23 0.00 0.00 176.35 176.14 1jgx s SER 209 N -1.73 6.45 0.31 2.29 1.04 -1.26 0.79 113.70 121.59 1jgx s SER 209 Ca -0.04 0.48 0.04 0.00 0.48 0.00 0.00 55.95 56.92 1jgx s SER 209 Cb -0.10 -2.05 0.83 0.00 0.10 0.00 0.00 66.02 64.81 1jgx s SER 209 CO 0.02 0.08 1.58 0.77 0.98 0.00 0.00 173.24 176.66 1jgx h SER 210 N 2.82 -0.32 0.00 7.02 4.64 -1.88 0.20 113.55 126.03 1jgx h SER 210 Ca -0.46 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1jgx h SER 210 Cb 1.17 0.43 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1jgx h SER 210 CO 0.73 -0.35 0.00 -0.90 -0.87 0.00 0.00 176.83 175.45 1jgx n ASP 211 N -5.43 0.00 -0.00 4.97 5.75 -1.26 -2.77 116.55 117.81 1jgx n ASP 211 Ca 0.25 -0.61 0.07 0.00 -0.01 0.00 0.00 54.79 54.48 1jgx n ASP 211 Cb 0.83 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.83 1jgx n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jgx n LEU 212 N -0.89 0.54 -0.34 -2.12 4.77 0.69 -4.59 117.00 115.06 1jgx n LEU 212 Ca 0.09 -0.41 -0.03 0.00 -0.03 0.00 0.00 56.01 55.64 1jgx n LEU 212 Cb 0.04 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.24 1jgx n LEU 212 CO 0.07 0.13 1.21 -0.26 -1.33 0.00 0.00 177.39 177.21 1jgx h PHE 213 N 0.00 1.23 0.00 -1.77 -1.00 -1.61 -1.15 116.94 112.63 1jgx h PHE 213 Ca 0.00 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1jgx h PHE 213 Cb 0.39 -0.40 -0.00 0.00 3.61 0.00 0.00 35.95 39.55 1jgx h PHE 213 CO 0.00 0.83 -0.05 0.00 -1.61 0.00 0.00 178.31 177.48 1jgx h ALA 214 N 1.31 1.06 0.00 2.45 0.00 -1.81 -2.07 119.26 120.20 1jgx h ALA 214 Ca 0.33 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1jgx h ALA 214 Cb -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jgx h ALA 214 CO -0.06 0.06 -0.13 0.78 0.00 0.00 0.00 179.25 179.90 1jgx h GLY 215 N 1.28 0.00 -4.60 0.00 0.00 -1.48 -3.46 103.07 94.82 1jgx h GLY 215 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1jgx h GLY 215 CO 0.01 0.00 0.59 1.39 0.00 0.00 0.00 176.54 178.53 1jgx n ILE 216 N -3.19 1.06 -1.60 2.60 5.41 -0.78 -4.90 119.36 117.96 1jgx n ILE 216 Ca 0.02 -0.27 -0.37 0.00 1.00 0.00 0.00 62.75 63.14 1jgx n ILE 216 Cb 0.47 -1.47 0.07 0.00 -0.71 0.00 0.00 39.64 38.00 1jgx n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1jgx n PRO 217 N 1.87 0.89 -4.17 0.38 -0.02 -1.26 -5.01 135.00 127.68 1jgx n PRO 217 Ca 0.11 0.36 -0.23 0.00 -2.02 0.00 0.00 63.50 61.72 1jgx n PRO 217 Cb 0.32 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 1jgx n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1jgx s THR 218 N -1.54 4.13 -0.10 3.45 -4.23 -1.26 -4.72 115.64 111.37 1jgx s THR 218 Ca 0.79 -1.52 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1jgx s THR 218 Cb -0.37 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 1jgx s THR 218 CO 0.44 -0.33 0.02 0.27 -0.54 0.00 0.00 174.62 174.48 1jgx s ILE 219 N -2.14 4.43 0.09 2.99 -0.00 -1.26 -5.04 121.20 120.28 1jgx s ILE 219 Ca 0.32 -0.19 -0.34 0.00 -0.00 0.00 0.00 60.65 60.43 1jgx s ILE 219 Cb -0.08 -2.89 -0.15 0.00 -0.00 0.00 0.00 42.46 39.34 1jgx s ILE 219 CO 0.23 0.59 1.57 0.07 -0.00 0.00 0.00 174.94 177.40 1jgx h LYS 220 N 5.40 -0.85 -6.31 0.37 2.10 -2.00 -3.42 116.57 111.85 1jgx h LYS 220 Ca -0.48 0.06 -0.56 0.00 -2.00 0.00 0.00 60.65 57.67 1jgx h LYS 220 Cb 1.19 0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 32.68 1jgx h LYS 220 CO 0.57 -0.57 -0.16 0.45 -2.00 0.00 0.00 179.45 177.74 1jgx s SER 221 N -4.50 6.65 -0.04 7.07 0.15 -1.26 -4.99 113.70 116.78 1jgx s SER 221 Ca -0.17 0.88 0.11 0.00 0.70 0.00 0.00 55.95 57.47 1jgx s SER 221 Cb 0.05 -2.21 0.41 0.00 -1.71 0.00 0.00 66.02 62.56 1jgx s SER 221 CO 0.61 0.03 1.28 -0.81 1.20 0.00 0.00 173.24 175.55 1jgx n PRO 222 N 0.30 2.40 -0.09 5.44 -0.04 -1.26 -3.96 135.00 137.79 1jgx n PRO 222 Ca -0.03 -1.62 0.01 0.00 -0.04 0.00 0.00 63.50 61.83 1jgx n PRO 222 Cb 0.52 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1jgx n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jgx n THR 223 N 0.62 0.52 -3.55 0.52 -2.24 -1.26 -4.92 114.28 103.97 1jgx n THR 223 Ca 0.15 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 1jgx n THR 223 Cb 0.50 0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 1jgx n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1jgx s GLU 224 N -0.64 0.77 -0.04 -0.78 -1.05 -1.25 -4.57 118.70 111.14 1jgx s GLU 224 Ca 0.04 0.15 0.07 0.00 -0.15 0.00 0.00 54.97 55.08 1jgx s GLU 224 Cb 0.03 0.36 -0.02 0.00 -0.44 0.00 0.00 34.13 34.07 1jgx s GLU 224 CO 0.00 -0.25 -0.24 0.14 0.95 0.00 0.00 175.26 175.86 1jgx s VAL 225 N -1.28 2.17 0.29 1.83 -7.23 -1.26 -4.49 120.40 110.43 1jgx s VAL 225 Ca -0.04 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1jgx s VAL 225 Cb -0.00 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1jgx s VAL 225 CO 0.04 0.58 0.49 0.42 -0.31 0.00 0.00 175.10 176.31 1jgx s THR 226 N -0.43 5.14 0.23 5.32 -4.23 -1.26 -4.27 115.64 116.14 1jgx s THR 226 Ca 0.04 -0.44 -0.08 0.00 -1.18 0.00 0.00 61.69 60.03 1jgx s THR 226 Cb -0.12 -3.82 0.21 0.00 1.34 0.00 0.00 72.50 70.12 1jgx s THR 226 CO 0.01 -0.42 1.68 -0.07 -0.54 0.00 0.00 174.62 175.28 1jgx h LEU 227 N 1.20 -0.11 -0.60 4.79 3.38 0.09 0.26 115.31 124.32 1jgx h LEU 227 Ca -0.49 0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.67 1jgx h LEU 227 Cb 1.21 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 1jgx h LEU 227 CO 0.63 -0.07 0.34 0.25 0.09 0.00 0.00 178.44 179.69 1jgx h LEU 228 N 0.20 0.53 -0.77 1.67 5.85 -1.54 -2.16 115.31 119.10 1jgx h LEU 228 Ca 0.37 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 59.01 1jgx h LEU 228 Cb 0.61 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1jgx h LEU 228 CO -0.51 0.36 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.53 1jgx h GLU 229 N 0.66 0.84 -0.53 1.25 5.08 -1.33 -2.46 114.58 118.09 1jgx h GLU 229 Ca 0.26 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1jgx h GLU 229 Cb 0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1jgx h GLU 229 CO -0.14 0.90 0.26 0.93 -1.00 0.00 0.00 179.01 179.95 1jgx h GLU 230 N 0.76 0.75 -0.86 2.33 5.08 -0.76 -1.61 114.58 120.28 1jgx h GLU 230 Ca 0.13 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1jgx h GLU 230 Cb 0.58 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1jgx h GLU 230 CO 0.04 0.62 0.56 -0.44 -1.00 0.00 0.00 179.01 178.79 1jgx h ASP 231 N 0.70 0.99 -0.22 1.42 5.19 -1.14 0.53 116.42 123.90 1jgx h ASP 231 Ca 0.18 -0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.42 1jgx h ASP 231 Cb 0.11 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 1jgx h ASP 231 CO -0.02 0.72 -0.39 0.11 -3.12 0.00 0.00 179.24 176.54 1jgx h LYS 232 N 1.16 0.76 0.27 3.56 1.57 -1.25 -0.01 116.57 122.63 1jgx h LYS 232 Ca 0.31 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1jgx h LYS 232 Cb -0.13 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1jgx h LYS 232 CO -0.07 1.01 -0.13 0.82 -0.57 0.00 0.00 179.45 180.52 1jgx h ILE 233 N 0.62 0.78 -0.42 1.86 2.04 -0.84 -1.05 117.51 120.50 1jgx h ILE 233 Ca 0.05 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1jgx h ILE 233 Cb 0.94 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1jgx h ILE 233 CO 0.09 0.10 0.08 0.00 0.00 0.00 0.00 178.15 178.41 1jgx h GLY 235 N 0.55 0.54 0.98 0.00 0.00 -0.98 -1.21 103.07 102.94 1jgx h GLY 235 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1jgx h GLY 235 CO 0.01 0.02 0.04 -1.82 0.00 0.00 0.00 176.54 174.78 1jgx h TYR 236 N 0.30 0.08 -0.54 5.60 5.03 -1.07 -2.18 116.97 124.18 1jgx h TYR 236 Ca 0.20 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.51 1jgx h TYR 236 Cb 0.19 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 1jgx h TYR 236 CO -0.16 0.08 0.34 0.28 -1.32 0.00 0.00 178.16 177.38 1jgx h VAL 237 N 0.06 1.15 -0.67 1.81 2.07 -1.14 -2.91 116.25 116.62 1jgx h VAL 237 Ca 0.02 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1jgx h VAL 237 Cb 0.02 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1jgx h VAL 237 CO -0.00 0.16 0.23 0.00 0.02 0.00 0.00 177.57 177.97 1jgx h ALA 238 N 1.17 1.14 0.00 1.67 0.00 -1.13 -2.28 119.26 119.83 1jgx h ALA 238 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jgx h ALA 238 Cb -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1jgx h ALA 238 CO -0.04 0.60 0.00 0.78 0.00 0.00 0.00 179.25 180.59 1jgx h GLY 239 N 1.06 0.00 2.00 0.00 0.00 -0.64 -2.25 103.07 103.24 1jgx h GLY 239 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 1jgx h GLY 239 CO -0.01 0.00 -0.09 -1.33 0.00 0.00 0.00 176.54 175.10 1jgx h GLY 240 N 1.59 0.00 0.88 4.60 0.00 -1.25 0.18 103.07 109.06 1jgx h GLY 240 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1jgx h GLY 240 CO 0.00 0.00 0.47 1.41 0.00 0.00 0.00 176.54 178.42 1jgx h LEU 241 N 0.00 0.77 0.05 3.11 3.38 -1.39 0.58 115.31 121.80 1jgx h LEU 241 Ca -0.00 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1jgx h LEU 241 Cb 0.25 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1jgx h LEU 241 CO 0.01 0.53 -1.31 -0.03 0.09 0.00 0.00 178.44 177.73 1jgx h MET 242 N 0.91 0.11 0.00 1.13 4.05 -1.46 -3.37 114.93 116.30 1jgx h MET 242 Ca 0.29 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1jgx h MET 242 Cb 0.01 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1jgx h MET 242 CO -0.11 1.09 -0.05 1.88 0.23 0.00 0.00 176.91 179.95 1jgx h TYR 243 N -0.65 0.00 0.00 1.39 0.05 -0.67 -3.29 116.97 113.81 1jgx h TYR 243 Ca -0.32 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.24 1jgx h TYR 243 Cb 1.52 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.22 1jgx h TYR 243 CO 0.12 0.00 -1.36 0.00 -1.05 0.00 0.00 178.16 175.87 1jgx h ALA 244 N 2.22 0.65 0.00 3.88 0.00 -0.01 -3.41 119.26 122.59 1jgx h ALA 244 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1jgx h ALA 244 Cb 0.89 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1jgx h ALA 244 CO 0.00 1.23 0.00 0.00 0.00 0.00 0.00 179.25 180.48 1jgx n ALA 245 N -2.43 0.00 -0.09 0.00 0.00 -1.24 0.02 120.51 116.77 1jgx n ALA 245 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 1jgx n ALA 245 Cb 0.94 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.39 1jgx n ALA 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jgx h PRO 246 N 0.00 -0.04 0.00 0.00 0.11 -1.86 -2.81 132.00 127.41 1jgx h PRO 246 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 1jgx h PRO 246 Cb 0.00 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1jgx h PRO 246 CO 0.00 -0.02 -0.75 0.87 -0.21 0.00 0.00 178.00 177.88 1jgx h LYS 247 N -0.04 0.00 -6.61 1.05 1.57 -0.76 -3.45 116.57 108.33 1jgx h LYS 247 Ca 0.16 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.42 1jgx h LYS 247 Cb 0.28 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.64 1jgx h LYS 247 CO -0.36 0.75 0.90 0.50 -0.57 0.00 0.00 179.45 180.68 1jgx s ARG 248 N -3.22 4.20 0.00 3.15 3.52 -1.06 -4.34 118.95 121.20 1jgx s ARG 248 Ca -0.00 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 1jgx s ARG 248 Cb 0.11 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1jgx s ARG 248 CO 0.78 -0.63 0.00 0.36 -0.81 0.00 0.00 175.30 175.00 1jgx n LYS 249 N 3.99 3.22 -0.94 5.12 2.85 -0.71 -4.91 118.16 126.77 1jgx n LYS 249 Ca 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 1jgx n LYS 249 Cb 0.38 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 1jgx n LYS 249 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80