#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jg0 s GLN 38 N 0.00 4.29 0.81 -0.52 -1.52 -1.26 -4.97 119.66 116.49 2jg0 s GLN 38 Ca 0.00 0.41 -0.13 0.00 -1.95 0.00 0.00 55.36 53.69 2jg0 s GLN 38 Cb 0.00 -3.41 0.08 0.00 -0.22 0.00 0.00 33.01 29.46 2jg0 s GLN 38 CO 0.00 0.23 1.17 -1.25 -0.25 0.00 0.00 175.29 175.19 2jg0 s PRO 39 N 0.41 1.71 0.52 2.91 0.04 -1.26 -4.44 135.00 134.89 2jg0 s PRO 39 Ca 0.25 1.62 0.17 0.00 0.04 0.00 0.00 61.00 63.08 2jg0 s PRO 39 Cb -0.15 -1.80 1.30 0.00 0.04 0.00 0.00 34.50 33.89 2jg0 s PRO 39 CO 0.10 -2.13 2.14 -1.35 0.04 0.00 0.00 177.00 175.79 2jg0 h PRO 40 N -1.00 0.00 0.00 0.56 0.11 -1.91 -0.35 132.00 129.41 2jg0 h PRO 40 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2jg0 h PRO 40 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2jg0 h PRO 40 CO 0.47 0.00 -0.18 0.38 -0.21 0.00 0.00 178.00 178.45 2jg0 h ASP 41 N 0.00 0.00 0.00 -2.05 2.03 -1.92 0.67 116.42 115.16 2jg0 h ASP 41 Ca 0.02 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.16 2jg0 h ASP 41 Cb 0.09 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.57 2jg0 h ASP 41 CO -0.00 0.18 -1.05 -0.38 -1.03 0.00 0.00 179.24 176.97 2jg0 n ILE 42 N -3.63 1.50 -0.30 4.15 5.41 -0.32 -2.53 119.36 123.65 2jg0 n ILE 42 Ca -0.01 0.04 0.05 0.00 1.00 0.00 0.00 62.75 63.84 2jg0 n ILE 42 Cb 0.32 -2.15 0.20 0.00 -0.71 0.00 0.00 39.64 37.30 2jg0 n ILE 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2jg0 h LEU 43 N -1.00 0.60 -2.96 1.39 5.85 -1.11 -2.89 115.31 115.19 2jg0 h LEU 43 Ca -0.25 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2jg0 h LEU 43 Cb 1.07 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2jg0 h LEU 43 CO -0.15 0.29 0.00 0.18 -0.34 0.00 0.00 178.44 178.42 2jg0 n LEU 44 N -4.81 2.89 0.00 2.25 4.77 0.22 -4.82 117.00 117.50 2jg0 n LEU 44 Ca 0.16 -2.18 0.00 0.00 -0.03 0.00 0.00 56.01 53.96 2jg0 n LEU 44 Cb 0.37 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2jg0 n LEU 44 CO 0.24 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2jg0 n GLY 45 N 0.14 0.29 0.25 -0.72 0.00 -1.05 -1.44 105.19 102.65 2jg0 n GLY 45 Ca 0.11 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.27 2jg0 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jg0 h PRO 46 N 0.00 0.00 -0.45 1.61 0.13 -1.92 -1.12 132.00 130.24 2jg0 h PRO 46 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2jg0 h PRO 46 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2jg0 h PRO 46 CO 0.00 0.12 -0.09 1.25 -0.23 0.00 0.00 178.00 179.05 2jg0 h LEU 47 N 0.00 0.87 0.12 1.56 5.85 -1.65 -0.43 115.31 121.62 2jg0 h LEU 47 Ca -0.00 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2jg0 h LEU 47 Cb 0.23 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2jg0 h LEU 47 CO 0.01 1.02 -0.12 0.15 -0.34 0.00 0.00 178.44 179.16 2jg0 h PHE 48 N 0.70 -0.32 -0.55 1.25 3.57 -0.16 -0.42 116.94 121.02 2jg0 h PHE 48 Ca 0.12 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.69 2jg0 h PHE 48 Cb 0.63 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 2jg0 h PHE 48 CO 0.05 -0.19 0.21 -0.97 -2.23 0.00 0.00 178.31 175.18 2jg0 h ASN 49 N -0.27 0.24 -0.65 0.41 -1.24 -1.37 -1.26 115.58 111.43 2jg0 h ASN 49 Ca 0.01 0.06 -0.07 0.00 0.71 0.00 0.00 56.30 57.01 2jg0 h ASN 49 Cb 0.26 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 2jg0 h ASN 49 CO -0.04 0.16 0.13 0.44 -1.29 0.00 0.00 177.43 176.83 2jg0 h ASP 50 N 0.41 1.01 -0.30 1.15 3.32 -0.63 0.49 116.42 121.87 2jg0 h ASP 50 Ca 0.26 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 2jg0 h ASP 50 Cb 0.28 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2jg0 h ASP 50 CO -0.25 1.00 -0.17 0.58 -1.72 0.00 0.00 179.24 178.68 2jg0 h VAL 51 N 0.98 1.29 0.07 -1.35 2.07 -0.79 -1.01 116.25 117.51 2jg0 h VAL 51 Ca 0.20 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 2jg0 h VAL 51 Cb 0.40 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2jg0 h VAL 51 CO 0.01 0.41 -0.03 1.56 0.02 0.00 0.00 177.57 179.54 2jg0 h GLN 52 N 0.40 -0.09 0.00 1.57 1.08 -1.13 -2.93 115.11 114.01 2jg0 h GLN 52 Ca 0.06 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2jg0 h GLN 52 Cb 0.70 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2jg0 h GLN 52 CO 0.05 0.01 -0.15 -0.91 -0.95 0.00 0.00 178.83 176.88 2jg0 h ASN 53 N -0.17 0.00 0.77 1.46 2.35 -0.82 0.24 115.58 119.42 2jg0 h ASN 53 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2jg0 h ASN 53 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2jg0 h ASN 53 CO 0.02 0.15 0.00 0.00 -1.65 0.00 0.00 177.43 175.95 2jg0 h ALA 54 N 1.85 1.00 -6.33 -0.83 0.00 -1.00 -3.47 119.26 110.47 2jg0 h ALA 54 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 2jg0 h ALA 54 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2jg0 h ALA 54 CO 0.02 0.00 -0.80 1.63 0.00 0.00 0.00 179.25 180.10 2jg0 n LYS 55 N -2.34 -4.81 0.18 0.00 5.02 0.07 -4.84 118.16 111.44 2jg0 n LYS 55 Ca 0.02 0.55 0.06 0.00 -2.02 0.00 0.00 58.31 56.92 2jg0 n LYS 55 Cb 0.24 -5.25 0.55 0.00 -0.02 0.00 0.00 35.03 30.56 2jg0 n LYS 55 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2jg0 h LEU 56 N -1.93 0.14 -8.70 -0.35 3.38 -1.81 -3.42 115.31 102.61 2jg0 h LEU 56 Ca -0.60 -0.01 -0.70 0.00 0.09 0.00 0.00 57.88 56.67 2jg0 h LEU 56 Cb 1.37 -0.03 -0.28 0.00 0.09 0.00 0.00 40.66 41.81 2jg0 h LEU 56 CO 0.65 0.13 -0.86 -0.36 0.09 0.00 0.00 178.44 178.10 2jg0 s PHE 57 N -5.11 2.40 -0.19 1.13 0.08 -1.26 -5.04 117.98 110.00 2jg0 s PHE 57 Ca -0.06 -0.38 0.28 0.00 0.12 0.00 0.00 56.93 56.90 2jg0 s PHE 57 Cb 0.17 -1.50 1.22 0.00 -0.57 0.00 0.00 43.02 42.34 2jg0 s PHE 57 CO 0.69 0.04 1.84 -1.00 -0.10 0.00 0.00 175.22 176.70 2jg0 h PRO 58 N 5.29 0.00 -5.20 0.24 0.13 -2.02 -3.39 132.00 127.05 2jg0 h PRO 58 Ca -0.44 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.02 2jg0 h PRO 58 Cb 1.13 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.96 2jg0 h PRO 58 CO 0.47 0.00 -0.79 0.34 -0.23 0.00 0.00 178.00 177.79 2jg0 s ASP 59 N -4.76 3.74 0.61 1.44 -1.08 -1.26 -5.00 116.67 110.36 2jg0 s ASP 59 Ca 0.02 -0.44 0.39 0.00 -0.52 0.00 0.00 52.55 51.99 2jg0 s ASP 59 Cb 0.09 -1.58 1.94 0.00 -1.46 0.00 0.00 42.92 41.92 2jg0 s ASP 59 CO 0.43 0.09 2.20 1.56 0.52 0.00 0.00 175.17 179.97 2jg0 h GLN 60 N 7.25 0.00 0.00 4.34 1.08 -1.77 -2.03 115.11 123.98 2jg0 h GLN 60 Ca -0.32 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.85 2jg0 h GLN 60 Cb 1.19 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2jg0 h GLN 60 CO 0.57 0.01 -0.14 -0.22 -0.95 0.00 0.00 178.83 178.10 2jg0 h LYS 61 N 0.00 0.00 0.19 1.46 3.64 -1.79 -3.21 116.57 116.86 2jg0 h LYS 61 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2jg0 h LYS 61 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2jg0 h LYS 61 CO 0.00 0.14 -0.09 1.15 -2.27 0.00 0.00 179.45 178.38 2jg0 h THR 62 N 0.00 0.82 -0.00 1.00 2.02 -1.69 -2.16 112.91 112.89 2jg0 h THR 62 Ca -0.00 -0.02 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 2jg0 h THR 62 Cb 0.59 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2jg0 h THR 62 CO 0.02 0.01 -0.69 0.15 0.37 0.00 0.00 175.52 175.38 2jg0 h PHE 63 N -0.26 0.01 -0.32 3.16 3.57 -1.74 -2.24 116.94 119.11 2jg0 h PHE 63 Ca -0.03 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.57 2jg0 h PHE 63 Cb 0.20 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2jg0 h PHE 63 CO -0.06 0.69 0.31 0.00 -2.23 0.00 0.00 178.31 177.02 2jg0 h ALA 64 N 1.31 2.05 -0.72 2.41 0.00 -1.48 -0.61 119.26 122.21 2jg0 h ALA 64 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jg0 h ALA 64 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jg0 h ALA 64 CO 0.09 -0.48 0.00 -0.25 0.00 0.00 0.00 179.25 178.61 2jg0 n ASP 65 N -3.90 4.11 -4.77 0.00 8.00 -0.84 -4.71 116.55 114.44 2jg0 n ASP 65 Ca 0.05 -2.08 -0.38 0.00 0.71 0.00 0.00 54.79 53.09 2jg0 n ASP 65 Cb 0.47 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 2jg0 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jg0 s ALA 66 N -1.15 3.15 -0.24 2.24 0.00 -0.24 -4.48 121.76 121.04 2jg0 s ALA 66 Ca 0.50 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 53.31 2jg0 s ALA 66 Cb 0.27 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 2jg0 s ALA 66 CO 0.32 -0.47 0.04 0.08 0.00 0.00 0.00 175.76 175.73 2jg0 s VAL 67 N -1.44 4.06 0.33 0.00 1.01 0.02 -4.53 120.40 119.85 2jg0 s VAL 67 Ca 0.57 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 2jg0 s VAL 67 Cb -0.29 -2.90 -0.11 0.00 0.00 0.00 0.00 36.38 33.07 2jg0 s VAL 67 CO 0.37 0.34 1.55 -2.65 0.00 0.00 0.00 175.10 174.72 2jg0 n PRO 68 N 4.89 2.71 0.00 2.72 -0.02 -1.26 -0.88 135.00 143.16 2jg0 n PRO 68 Ca -0.17 0.96 0.14 0.00 -2.02 0.00 0.00 63.50 62.41 2jg0 n PRO 68 Cb 0.51 -2.72 0.64 0.00 -0.02 0.00 0.00 33.50 31.91 2jg0 n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2jg0 n ASN 69 N 1.38 0.04 -3.15 2.55 3.02 0.60 -4.86 115.26 114.84 2jg0 n ASN 69 Ca 0.05 0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.74 2jg0 n ASN 69 Cb 0.38 -0.38 0.01 0.00 -0.61 0.00 0.00 39.78 39.17 2jg0 n ASN 69 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jg0 s SER 70 N -2.85 0.06 -0.11 6.41 1.04 -1.26 -5.07 113.70 111.92 2jg0 s SER 70 Ca 0.19 -1.09 -0.36 0.00 0.48 0.00 0.00 55.95 55.17 2jg0 s SER 70 Cb 0.19 0.80 -0.13 0.00 0.10 0.00 0.00 66.02 66.99 2jg0 s SER 70 CO 0.52 -1.57 1.81 -0.67 0.98 0.00 0.00 173.24 174.30 2jg0 n ASP 71 N -1.22 3.12 -0.33 7.02 -0.08 -1.26 -4.82 116.55 118.98 2jg0 n ASP 71 Ca -0.06 1.01 0.23 0.00 -1.51 0.00 0.00 54.79 54.46 2jg0 n ASP 71 Cb 0.60 -1.32 0.51 0.00 2.34 0.00 0.00 41.12 43.25 2jg0 n ASP 71 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2jg0 h PRO 72 N 8.35 0.37 -0.77 -0.67 0.11 -1.95 0.38 132.00 137.82 2jg0 h PRO 72 Ca -0.48 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2jg0 h PRO 72 Cb 1.28 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2jg0 h PRO 72 CO 0.94 0.25 0.51 -0.07 -0.21 0.00 0.00 178.00 179.42 2jg0 h LEU 73 N 0.39 0.85 -0.27 2.35 3.38 -1.88 0.25 115.31 120.38 2jg0 h LEU 73 Ca 0.62 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 58.37 2jg0 h LEU 73 Cb 1.57 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2jg0 h LEU 73 CO -0.33 0.60 -0.88 0.24 0.09 0.00 0.00 178.44 178.16 2jg0 h MET 74 N 1.00 0.27 -0.33 1.13 2.86 -1.31 -2.27 114.93 116.28 2jg0 h MET 74 Ca 0.29 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2jg0 h MET 74 Cb -0.05 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2jg0 h MET 74 CO -0.07 0.99 -0.05 0.82 1.06 0.00 0.00 176.91 179.66 2jg0 h ILE 75 N 0.15 1.27 -0.70 -1.22 2.04 -0.91 -2.34 117.51 115.80 2jg0 h ILE 75 Ca -0.05 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 64.69 2jg0 h ILE 75 Cb 1.51 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 2jg0 h ILE 75 CO 0.14 0.35 0.21 -0.07 0.00 0.00 0.00 178.15 178.78 2jg0 h LEU 76 N 0.40 1.01 -0.44 1.44 3.38 -0.95 0.18 115.31 120.33 2jg0 h LEU 76 Ca 0.09 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2jg0 h LEU 76 Cb 0.52 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2jg0 h LEU 76 CO 0.03 0.94 -0.21 0.00 0.09 0.00 0.00 178.44 179.29 2jg0 h ALA 77 N 1.19 0.62 0.06 1.53 0.00 -1.39 -0.53 119.26 120.75 2jg0 h ALA 77 Ca 0.23 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jg0 h ALA 77 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jg0 h ALA 77 CO -0.01 0.60 -0.03 0.22 0.00 0.00 0.00 179.25 180.03 2jg0 h ASP 78 N 0.76 -0.07 -0.77 0.00 3.58 -1.06 -2.38 116.42 116.47 2jg0 h ASP 78 Ca 0.10 -0.08 0.10 0.00 0.42 0.00 0.00 57.03 57.57 2jg0 h ASP 78 Cb 0.78 0.02 -0.08 0.00 1.72 0.00 0.00 39.33 41.77 2jg0 h ASP 78 CO 0.06 0.03 0.40 0.22 -2.88 0.00 0.00 179.24 177.08 2jg0 h TYR 79 N -0.18 0.71 -0.62 0.28 3.20 -0.51 -1.01 116.97 118.85 2jg0 h TYR 79 Ca -0.01 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.92 2jg0 h TYR 79 Cb 0.15 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 2jg0 h TYR 79 CO -0.04 0.25 0.41 -0.09 -1.64 0.00 0.00 178.16 177.04 2jg0 h ARG 80 N 0.65 0.74 -0.05 1.82 9.65 -0.79 0.11 114.38 126.51 2jg0 h ARG 80 Ca 0.39 -0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 59.02 2jg0 h ARG 80 Cb 0.43 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2jg0 h ARG 80 CO -0.29 0.49 -0.81 0.52 2.80 0.00 0.00 179.97 182.69 2jg0 h MET 81 N 0.76 0.42 0.00 0.20 2.86 -0.73 -3.36 114.93 115.09 2jg0 h MET 81 Ca 0.24 -0.38 -0.27 0.00 -2.06 0.00 0.00 59.70 57.23 2jg0 h MET 81 Cb 0.03 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 2jg0 h MET 81 CO -0.06 1.03 -1.77 1.04 1.06 0.00 0.00 176.91 178.21 2jg0 n GLN 82 N -3.81 0.64 -0.04 1.72 6.02 -0.53 -4.54 117.38 116.84 2jg0 n GLN 82 Ca -0.05 0.21 0.02 0.00 -0.01 0.00 0.00 57.00 57.18 2jg0 n GLN 82 Cb 0.76 -1.74 0.37 0.00 1.02 0.00 0.00 30.24 30.64 2jg0 n GLN 82 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2jg0 h GLN 83 N 0.00 0.62 -0.37 -1.09 3.07 -0.97 -0.22 115.11 116.15 2jg0 h GLN 83 Ca -0.30 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.39 2jg0 h GLN 83 Cb 1.94 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 29.36 2jg0 h GLN 83 CO 0.06 0.45 0.00 0.09 0.09 0.00 0.00 178.83 179.52 2jg0 n ASN 84 N -4.43 2.72 -4.82 0.06 5.03 -1.26 -4.85 115.26 107.71 2jg0 n ASN 84 Ca 0.04 -1.91 -0.34 0.00 0.87 0.00 0.00 54.58 53.24 2jg0 n ASN 84 Cb 0.09 -0.24 -0.07 0.00 -1.02 0.00 0.00 39.78 38.54 2jg0 n ASN 84 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2jg0 s GLN 85 N -1.52 4.23 0.25 3.52 -0.21 -0.10 -4.99 119.66 120.85 2jg0 s GLN 85 Ca 0.36 0.99 -0.30 0.00 0.02 0.00 0.00 55.36 56.42 2jg0 s GLN 85 Cb 0.20 -2.46 -0.11 0.00 1.00 0.00 0.00 33.01 31.64 2jg0 s GLN 85 CO 0.28 0.14 1.57 0.45 -2.12 0.00 0.00 175.29 175.60 2jg0 s SER 86 N -2.03 6.48 0.00 5.90 0.15 -1.26 -2.25 113.70 120.69 2jg0 s SER 86 Ca 0.55 2.81 0.00 0.00 0.70 0.00 0.00 55.95 60.01 2jg0 s SER 86 Cb -0.12 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2jg0 s SER 86 CO 0.17 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.37 2jg0 n GLY 87 N 2.66 0.63 3.74 9.45 0.00 -1.26 -5.01 105.19 115.39 2jg0 n GLY 87 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2jg0 n GLY 87 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jg0 n PHE 88 N -2.74 2.84 -4.06 1.61 -0.00 -0.95 -4.98 117.46 109.16 2jg0 n PHE 88 Ca 0.00 0.15 -0.32 0.00 -0.00 0.00 0.00 57.45 57.28 2jg0 n PHE 88 Cb 0.00 -2.64 -0.15 0.00 -0.00 0.00 0.00 39.48 36.69 2jg0 n PHE 88 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2jg0 s ASP 89 N 0.81 4.47 0.21 -2.13 2.15 -1.26 -5.01 116.67 115.91 2jg0 s ASP 89 Ca 0.69 -1.48 -0.10 0.00 0.43 0.00 0.00 52.55 52.09 2jg0 s ASP 89 Cb -0.49 -1.55 0.17 0.00 -0.30 0.00 0.00 42.92 40.74 2jg0 s ASP 89 CO 0.41 -0.21 1.87 0.25 -0.17 0.00 0.00 175.17 177.32 2jg0 h LEU 90 N 7.76 0.83 -0.52 -1.34 5.85 -1.99 -1.51 115.31 124.39 2jg0 h LEU 90 Ca -0.17 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2jg0 h LEU 90 Cb 1.04 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 2jg0 h LEU 90 CO 0.47 0.60 0.29 -0.09 -0.34 0.00 0.00 178.44 179.36 2jg0 h ARG 91 N 0.99 0.72 -0.81 1.25 2.43 -1.99 0.64 114.38 117.61 2jg0 h ARG 91 Ca 0.28 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2jg0 h ARG 91 Cb -0.08 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.29 2jg0 h ARG 91 CO -0.07 0.56 0.38 1.25 -1.51 0.00 0.00 179.97 180.57 2jg0 h HIS 92 N 0.69 1.18 -0.75 2.20 2.76 -1.88 -0.54 115.15 118.81 2jg0 h HIS 92 Ca 0.18 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2jg0 h HIS 92 Cb 0.04 -0.36 -0.04 0.00 1.55 0.00 0.00 27.41 28.60 2jg0 h HIS 92 CO -0.02 0.87 0.44 0.35 -1.30 0.00 0.00 177.93 178.27 2jg0 h PHE 93 N 1.16 1.00 -0.30 5.26 3.57 -0.66 -1.62 116.94 125.34 2jg0 h PHE 93 Ca 0.28 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 2jg0 h PHE 93 Cb 0.14 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 2jg0 h PHE 93 CO 0.01 0.68 0.10 0.28 -2.23 0.00 0.00 178.31 177.15 2jg0 h VAL 94 N 1.02 1.20 -0.82 1.41 2.07 -0.52 -1.51 116.25 119.09 2jg0 h VAL 94 Ca 0.27 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.23 2jg0 h VAL 94 Cb -0.02 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2jg0 h VAL 94 CO -0.05 0.21 0.54 0.78 0.02 0.00 0.00 177.57 179.07 2jg0 h ASN 95 N 0.33 0.79 0.09 0.57 2.35 -0.69 -0.74 115.58 118.29 2jg0 h ASN 95 Ca 0.10 0.01 -0.28 0.00 -0.55 0.00 0.00 56.30 55.57 2jg0 h ASN 95 Cb 0.23 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 38.46 2jg0 h ASN 95 CO -0.00 0.50 -1.15 -0.37 -1.65 0.00 0.00 177.43 174.76 2jg0 h VAL 96 N 0.89 1.29 -0.00 2.81 -1.51 -1.21 -3.37 116.25 115.15 2jg0 h VAL 96 Ca 0.36 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 63.45 2jg0 h VAL 96 Cb 0.25 2.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 2jg0 h VAL 96 CO -0.13 0.73 -0.42 0.59 -1.23 0.00 0.00 177.57 177.11 2jg0 n ASN 97 N -3.81 0.75 -4.04 4.19 3.02 -0.58 -4.87 115.26 109.93 2jg0 n ASN 97 Ca -0.12 -0.55 -0.10 0.00 -0.03 0.00 0.00 54.58 53.77 2jg0 n ASN 97 Cb 0.94 0.23 -0.11 0.00 -0.61 0.00 0.00 39.78 40.23 2jg0 n ASN 97 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jg0 s PHE 98 N -2.79 0.49 -0.21 3.10 0.08 -0.34 -0.29 117.98 118.02 2jg0 s PHE 98 Ca 0.16 -0.61 -0.07 0.00 0.12 0.00 0.00 56.93 56.53 2jg0 s PHE 98 Cb 0.18 -0.32 -0.04 0.00 -0.57 0.00 0.00 43.02 42.28 2jg0 s PHE 98 CO 0.63 -0.17 0.07 0.99 -0.10 0.00 0.00 175.22 176.64 2jg0 s THR 99 N -1.86 4.63 0.18 0.64 2.01 -0.06 -4.70 115.64 116.49 2jg0 s THR 99 Ca -0.09 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2jg0 s THR 99 Cb -0.07 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2jg0 s THR 99 CO -0.02 0.41 0.35 -0.76 -0.69 0.00 0.00 174.62 173.91 2jg0 s LEU 100 N 0.83 4.27 0.56 4.42 1.43 -1.26 -0.80 118.68 128.13 2jg0 s LEU 100 Ca 0.04 0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.22 2jg0 s LEU 100 Cb -0.14 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 2jg0 s LEU 100 CO 0.02 -0.01 1.36 -2.16 0.23 0.00 0.00 176.35 175.80 2jg0 s PRO 101 N -3.30 3.04 0.00 1.29 0.04 -1.26 -4.98 135.00 129.82 2jg0 s PRO 101 Ca 0.37 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2jg0 s PRO 101 Cb -0.11 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2jg0 s PRO 101 CO 0.29 -1.27 0.00 0.36 0.04 0.00 0.00 177.00 176.42 2jg0 n LYS 102 N -1.15 0.00 0.00 4.56 0.00 -1.26 -5.16 118.16 115.15 2jg0 n LYS 102 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 2jg0 n LYS 102 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.48 2jg0 n LYS 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2jg0 n TYR 107 N 0.00 0.00 -4.62 5.58 4.01 -1.26 -5.16 117.16 115.70 2jg0 n TYR 107 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 2jg0 n TYR 107 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 2jg0 n TYR 107 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2jg0 s VAL 108 N -2.00 1.16 0.57 -0.72 1.01 -1.26 -5.02 120.40 114.14 2jg0 s VAL 108 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 2jg0 s VAL 108 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2jg0 s VAL 108 CO 0.00 0.36 1.24 -2.84 0.00 0.00 0.00 175.10 173.86 2jg0 s PRO 109 N 0.45 3.06 0.91 2.72 0.02 -1.26 -4.99 135.00 135.91 2jg0 s PRO 109 Ca -0.11 1.93 -0.11 0.00 0.02 0.00 0.00 61.00 62.74 2jg0 s PRO 109 Cb -0.14 -2.05 0.14 0.00 0.02 0.00 0.00 34.50 32.47 2jg0 s PRO 109 CO 0.03 -1.16 1.11 -1.25 -0.33 0.00 0.00 177.00 175.40 2jg0 s PRO 110 N -3.16 1.14 0.06 5.54 0.04 -1.26 -4.87 135.00 132.48 2jg0 s PRO 110 Ca 0.75 1.23 -0.33 0.00 0.04 0.00 0.00 61.00 62.69 2jg0 s PRO 110 Cb -0.33 -1.76 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 2jg0 s PRO 110 CO 0.37 -2.44 1.76 -1.91 0.04 0.00 0.00 177.00 174.82 2jg0 n GLU 111 N -4.07 2.33 -1.05 4.56 4.07 -1.26 -1.60 120.64 123.61 2jg0 n GLU 111 Ca 0.09 0.85 -0.02 0.00 -0.06 0.00 0.00 57.16 58.02 2jg0 n GLU 111 Cb 0.53 -2.68 -0.01 0.00 -0.06 0.00 0.00 31.44 29.23 2jg0 n GLU 111 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jg0 n GLY 112 N 4.00 0.49 3.72 8.31 0.00 -1.26 -4.98 105.19 115.47 2jg0 n GLY 112 Ca 0.19 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2jg0 n GLY 112 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jg0 s GLN 113 N -1.12 4.22 0.78 1.61 0.74 -0.63 -4.96 119.66 120.30 2jg0 s GLN 113 Ca 0.00 2.34 -0.11 0.00 0.05 0.00 0.00 55.36 57.65 2jg0 s GLN 113 Cb 0.00 -3.16 0.06 0.00 1.10 0.00 0.00 33.01 31.01 2jg0 s GLN 113 CO 0.00 -0.60 1.09 -1.54 -0.55 0.00 0.00 175.29 173.69 2jg0 s SER 114 N 1.13 4.48 0.16 6.67 1.04 -1.26 -4.82 113.70 121.10 2jg0 s SER 114 Ca 0.70 1.75 -0.16 0.00 0.48 0.00 0.00 55.95 58.72 2jg0 s SER 114 Cb -0.43 -2.47 0.09 0.00 0.10 0.00 0.00 66.02 63.31 2jg0 s SER 114 CO 0.31 -2.04 1.70 0.25 0.98 0.00 0.00 173.24 174.44 2jg0 h LEU 115 N -1.13 -0.17 -0.22 2.42 5.85 -1.87 -0.05 115.31 120.13 2jg0 h LEU 115 Ca -0.44 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 2jg0 h LEU 115 Cb 1.24 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2jg0 h LEU 115 CO 0.52 -0.05 0.13 -0.09 -0.34 0.00 0.00 178.44 178.62 2jg0 h ARG 116 N 0.09 0.29 -0.68 1.25 2.43 -1.60 -1.12 114.38 115.04 2jg0 h ARG 116 Ca 0.18 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2jg0 h ARG 116 Cb 0.26 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2jg0 h ARG 116 CO -0.32 0.24 0.43 0.93 -1.51 0.00 0.00 179.97 179.74 2jg0 h GLU 117 N 0.27 0.91 0.10 0.20 5.08 -1.77 -0.87 114.58 118.49 2jg0 h GLU 117 Ca 0.08 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2jg0 h GLU 117 Cb 0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2jg0 h GLU 117 CO -0.01 0.62 -0.11 1.25 -1.00 0.00 0.00 179.01 179.75 2jg0 h HIS 118 N 0.92 -0.29 -0.22 4.33 2.76 -0.72 -0.21 115.15 121.71 2jg0 h HIS 118 Ca 0.25 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.47 2jg0 h HIS 118 Cb -0.07 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 28.95 2jg0 h HIS 118 CO -0.02 -0.18 -0.09 0.82 -1.30 0.00 0.00 177.93 177.16 2jg0 h ILE 119 N -0.25 0.69 -0.28 6.26 2.04 -0.96 -1.00 117.51 124.02 2jg0 h ILE 119 Ca 0.01 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 2jg0 h ILE 119 Cb 0.24 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2jg0 h ILE 119 CO -0.04 0.00 -0.09 -0.78 0.00 0.00 0.00 178.15 177.24 2jg0 h ASP 120 N -0.06 0.44 0.83 1.72 3.58 -0.94 -2.22 116.42 119.78 2jg0 h ASP 120 Ca 0.12 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.43 2jg0 h ASP 120 Cb 0.24 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2jg0 h ASP 120 CO -0.26 0.58 -0.18 1.23 -2.88 0.00 0.00 179.24 177.72 2jg0 h GLY 121 N 0.88 0.00 1.75 -0.78 0.00 -0.49 -3.10 103.07 101.32 2jg0 h GLY 121 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2jg0 h GLY 121 CO 0.02 0.00 -0.23 1.41 0.00 0.00 0.00 176.54 177.75 2jg0 h LEU 122 N 0.00 0.00 -0.48 3.11 3.38 -0.55 -3.37 115.31 117.40 2jg0 h LEU 122 Ca -0.00 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.03 2jg0 h LEU 122 Cb 0.64 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 2jg0 h LEU 122 CO 0.02 0.01 0.05 -0.50 0.09 0.00 0.00 178.44 178.12 2jg0 h TRP 123 N 0.00 0.07 -0.23 1.13 -0.00 -1.52 -1.01 115.95 114.40 2jg0 h TRP 123 Ca 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.89 2jg0 h TRP 123 Cb 0.91 0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 30.10 2jg0 h TRP 123 CO 0.00 -0.05 -0.01 -1.35 -0.00 0.00 0.00 178.44 177.03 2jg0 h PRO 124 N 0.18 0.34 -0.50 0.49 0.11 -1.81 -1.96 132.00 128.84 2jg0 h PRO 124 Ca 0.24 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 2jg0 h PRO 124 Cb 0.34 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 2jg0 h PRO 124 CO -0.36 0.37 0.17 0.28 -0.21 0.00 0.00 178.00 178.26 2jg0 h VAL 125 N 0.33 1.20 -0.09 3.15 2.07 -1.45 -2.43 116.25 119.04 2jg0 h VAL 125 Ca 0.08 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2jg0 h VAL 125 Cb 0.24 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2jg0 h VAL 125 CO 0.01 0.25 0.00 0.18 0.02 0.00 0.00 177.57 178.02 2jg0 n LEU 126 N -4.33 1.60 -4.81 2.57 4.77 -0.60 -4.90 117.00 111.29 2jg0 n LEU 126 Ca 0.04 -0.60 -0.37 0.00 -0.03 0.00 0.00 56.01 55.05 2jg0 n LEU 126 Cb 0.18 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2jg0 n LEU 126 CO 0.38 0.30 -0.02 -0.89 -1.33 0.00 0.00 177.39 175.83 2jg0 s THR 127 N -1.90 5.27 0.08 -5.08 2.01 -0.84 -0.80 115.64 114.39 2jg0 s THR 127 Ca 0.35 0.54 0.06 0.00 0.31 0.00 0.00 61.69 62.95 2jg0 s THR 127 Cb 0.19 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 2jg0 s THR 127 CO 0.30 0.53 -0.17 -0.13 -0.69 0.00 0.00 174.62 174.47 2jg0 s ARG 128 N -0.55 0.94 -0.28 4.92 1.81 0.63 -4.96 118.95 121.47 2jg0 s ARG 128 Ca 0.18 -1.01 -0.02 0.00 -1.72 0.00 0.00 55.73 53.17 2jg0 s ARG 128 Cb -0.14 -1.04 0.09 0.00 -0.45 0.00 0.00 34.95 33.41 2jg0 s ARG 128 CO 0.07 0.24 0.08 0.45 -0.68 0.00 0.00 175.30 175.46 2jg0 s SER 129 N -1.73 3.68 -0.57 0.23 0.15 -1.26 -0.91 113.70 113.29 2jg0 s SER 129 Ca 0.01 -1.37 0.06 0.00 0.70 0.00 0.00 55.95 55.35 2jg0 s SER 129 Cb -0.10 -0.75 0.21 0.00 -1.71 0.00 0.00 66.02 63.67 2jg0 s SER 129 CO 0.03 -0.38 0.54 1.07 1.20 0.00 0.00 173.24 175.70 2jg0 n THR 130 N 4.94 0.81 0.09 6.45 5.66 -1.26 -4.91 114.28 126.06 2jg0 n THR 130 Ca -0.05 -4.51 -0.02 0.00 -3.05 0.00 0.00 64.05 56.43 2jg0 n THR 130 Cb 0.43 -2.01 0.24 0.00 -1.55 0.00 0.00 70.33 67.45 2jg0 n THR 130 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2jg0 h GLU 131 N 4.83 0.25 -4.77 1.09 3.07 -1.89 -1.10 114.58 116.06 2jg0 h GLU 131 Ca 0.17 -0.11 -0.26 0.00 -0.50 0.00 0.00 59.36 58.67 2jg0 h GLU 131 Cb 0.78 -0.01 -0.16 0.00 -0.84 0.00 0.00 28.75 28.53 2jg0 h GLU 131 CO 0.63 0.59 -0.71 -0.80 -1.40 0.00 0.00 179.01 177.32 2jg0 s ASN 132 N -6.87 1.30 0.13 1.42 0.01 -1.26 -4.46 114.94 105.20 2jg0 s ASN 132 Ca -0.05 -0.95 0.03 0.00 -0.71 0.00 0.00 52.86 51.18 2jg0 s ASN 132 Cb 0.14 0.06 -0.04 0.00 0.41 0.00 0.00 41.25 41.81 2jg0 s ASN 132 CO 0.77 -0.39 -0.07 0.28 -1.51 0.00 0.00 177.10 176.18 2jg0 s THR 133 N -3.25 0.89 0.87 1.60 -1.32 -1.26 -4.96 115.64 108.20 2jg0 s THR 133 Ca 0.10 -1.99 -0.10 0.00 -1.21 0.00 0.00 61.69 58.49 2jg0 s THR 133 Cb 0.03 -1.83 0.12 0.00 -1.51 0.00 0.00 72.50 69.30 2jg0 s THR 133 CO -0.03 -0.75 1.13 -1.61 -2.21 0.00 0.00 174.62 171.16 2jg0 s GLU 134 N -3.81 1.41 0.34 7.08 0.41 -1.26 -4.92 118.70 117.95 2jg0 s GLU 134 Ca 0.16 1.45 -0.29 0.00 -0.41 0.00 0.00 54.97 55.89 2jg0 s GLU 134 Cb 0.04 -1.78 -0.10 0.00 -1.78 0.00 0.00 34.13 30.51 2jg0 s GLU 134 CO -0.01 -2.32 1.34 0.21 -0.49 0.00 0.00 175.26 173.99 2jg0 s LYS 135 N -4.69 4.31 -0.05 1.61 2.47 -1.26 -2.79 119.74 119.34 2jg0 s LYS 135 Ca 0.66 2.28 0.00 0.00 -1.56 0.00 0.00 55.97 57.34 2jg0 s LYS 135 Cb -0.21 -3.05 0.00 0.00 -1.46 0.00 0.00 37.83 33.10 2jg0 s LYS 135 CO 0.57 -0.25 0.00 0.91 0.16 0.00 0.00 175.35 176.74 2jg0 n TRP 136 N 0.75 0.00 -2.07 4.03 8.01 -1.26 -4.64 117.44 122.26 2jg0 n TRP 136 Ca 0.00 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.79 2jg0 n TRP 136 Cb 0.41 -0.93 -0.01 0.00 -2.01 0.00 0.00 31.31 28.77 2jg0 n TRP 136 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 2jg0 s ASP 137 N -2.05 6.54 0.48 -0.99 -1.08 -1.12 -4.42 116.67 114.04 2jg0 s ASP 137 Ca 0.00 2.69 0.27 0.00 -0.52 0.00 0.00 52.55 54.99 2jg0 s ASP 137 Cb 0.00 -2.65 0.69 0.00 -1.46 0.00 0.00 42.92 39.51 2jg0 s ASP 137 CO 0.00 -0.69 1.74 0.77 0.52 0.00 0.00 175.17 177.50 2jg0 h SER 138 N 3.04 0.00 -2.89 -0.34 4.64 -1.84 -3.45 113.55 112.72 2jg0 h SER 138 Ca -0.49 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.30 2jg0 h SER 138 Cb 1.24 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.36 2jg0 h SER 138 CO 0.64 0.00 0.84 -0.22 -0.87 0.00 0.00 176.83 177.22 2jg0 s LEU 139 N -6.19 4.37 -0.10 5.97 2.96 -1.26 -0.43 118.68 124.00 2jg0 s LEU 139 Ca 0.05 2.55 -0.13 0.00 -0.22 0.00 0.00 54.13 56.39 2jg0 s LEU 139 Cb 0.06 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 2jg0 s LEU 139 CO 0.63 -0.78 0.30 -0.76 -1.32 0.00 0.00 176.35 174.41 2jg0 s LEU 140 N 1.06 4.36 0.53 -0.68 1.43 -0.11 -4.90 118.68 120.38 2jg0 s LEU 140 Ca 0.68 0.65 -0.21 0.00 -1.03 0.00 0.00 54.13 54.23 2jg0 s LEU 140 Cb -0.42 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 43.37 2jg0 s LEU 140 CO 0.31 0.25 1.18 -2.16 0.23 0.00 0.00 176.35 176.17 2jg0 s PRO 141 N -0.40 3.37 0.03 1.29 0.04 -1.26 -4.89 135.00 133.19 2jg0 s PRO 141 Ca 0.19 1.78 0.03 0.00 0.04 0.00 0.00 61.00 63.04 2jg0 s PRO 141 Cb -0.14 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 2jg0 s PRO 141 CO 0.07 -0.87 -0.10 -0.51 0.04 0.00 0.00 177.00 175.63 2jg0 s LEU 142 N -3.58 2.18 0.42 -3.56 1.43 -0.42 -5.01 118.68 110.15 2jg0 s LEU 142 Ca 0.71 -0.43 0.23 0.00 -1.03 0.00 0.00 54.13 53.60 2jg0 s LEU 142 Cb -0.29 -0.36 0.83 0.00 0.03 0.00 0.00 46.19 46.40 2jg0 s LEU 142 CO 0.33 -0.06 1.79 1.55 0.23 0.00 0.00 176.35 180.19 2jg0 h PRO 143 N 4.93 0.00 -5.62 1.29 0.13 -1.88 -3.25 132.00 127.60 2jg0 h PRO 143 Ca -0.35 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.31 2jg0 h PRO 143 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 2jg0 h PRO 143 CO 0.44 0.25 -0.73 -1.21 -0.23 0.00 0.00 178.00 176.52 2jg0 s GLU 144 N -3.60 1.39 0.81 0.86 0.41 -1.26 -4.86 118.70 112.44 2jg0 s GLU 144 Ca 0.01 -1.63 -0.13 0.00 -0.41 0.00 0.00 54.97 52.81 2jg0 s GLU 144 Cb 0.10 -1.19 0.09 0.00 -1.78 0.00 0.00 34.13 31.35 2jg0 s GLU 144 CO 0.65 0.18 1.19 -2.14 -0.49 0.00 0.00 175.26 174.65 2jg0 s PRO 145 N -3.64 1.64 0.05 0.39 0.02 -1.26 -4.74 135.00 127.45 2jg0 s PRO 145 Ca 0.24 1.69 -0.09 0.00 0.02 0.00 0.00 61.00 62.86 2jg0 s PRO 145 Cb -0.01 -1.78 -0.00 0.00 0.02 0.00 0.00 34.50 32.73 2jg0 s PRO 145 CO 0.08 -2.20 0.17 1.52 -0.33 0.00 0.00 177.00 176.25 2jg0 s TYR 146 N -2.25 0.10 -0.14 6.54 -0.85 -0.09 -4.58 117.35 116.08 2jg0 s TYR 146 Ca 0.71 -0.36 -0.14 0.00 -0.52 0.00 0.00 57.07 56.76 2jg0 s TYR 146 Cb -0.27 -0.06 -0.05 0.00 0.38 0.00 0.00 41.96 41.97 2jg0 s TYR 146 CO 0.51 -0.43 0.33 0.08 -1.52 0.00 0.00 175.55 174.52 2jg0 s VAL 147 N -2.75 5.27 0.24 -3.49 1.01 -1.26 -0.27 120.40 119.15 2jg0 s VAL 147 Ca -0.04 0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.64 2jg0 s VAL 147 Cb -0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2jg0 s VAL 147 CO -0.05 0.40 0.24 0.68 0.00 0.00 0.00 175.10 176.37 2jg0 s VAL 148 N 0.33 4.68 0.22 2.92 -7.23 0.02 -4.69 120.40 116.66 2jg0 s VAL 148 Ca 0.19 -1.27 -0.06 0.00 -1.81 0.00 0.00 61.98 59.03 2jg0 s VAL 148 Cb -0.14 -3.53 0.13 0.00 0.56 0.00 0.00 36.38 33.41 2jg0 s VAL 148 CO 0.06 -0.33 1.75 -0.65 -0.31 0.00 0.00 175.10 175.62 2jg0 h PRO 149 N 1.45 1.05 0.00 4.82 0.11 -1.75 -3.40 132.00 134.29 2jg0 h PRO 149 Ca -0.49 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.37 2jg0 h PRO 149 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jg0 h PRO 149 CO 0.61 0.93 0.00 0.41 -0.21 0.00 0.00 178.00 179.74 2jg0 n GLY 150 N -0.73 3.77 7.00 -0.55 0.00 -1.14 -0.88 105.19 112.66 2jg0 n GLY 150 Ca 0.05 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2jg0 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jg0 n GLY 151 N -1.49 2.66 0.09 -0.02 0.00 -1.20 -1.52 105.19 103.71 2jg0 n GLY 151 Ca 0.00 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.76 2jg0 n GLY 151 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jg0 n ARG 152 N 13.53 0.11 -3.00 1.61 1.85 -1.26 -4.21 116.66 125.29 2jg0 n ARG 152 Ca 0.00 0.47 -0.44 0.00 -1.00 0.00 0.00 57.85 56.87 2jg0 n ARG 152 Cb 0.00 -1.76 -0.02 0.00 -1.05 0.00 0.00 32.46 29.62 2jg0 n ARG 152 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2jg0 s PHE 153 N -3.27 3.24 -0.44 2.89 0.08 -0.58 -4.82 117.98 115.09 2jg0 s PHE 153 Ca 0.02 -1.52 0.03 0.00 0.12 0.00 0.00 56.93 55.59 2jg0 s PHE 153 Cb 0.07 -4.20 0.45 0.00 -0.57 0.00 0.00 43.02 38.77 2jg0 s PHE 153 CO 0.24 -1.40 1.52 2.89 -0.10 0.00 0.00 175.22 178.37 2jg0 n ARG 154 N 6.08 3.26 -3.73 0.44 1.85 -1.26 -2.89 116.66 120.40 2jg0 n ARG 154 Ca 0.23 -3.83 -0.10 0.00 -1.00 0.00 0.00 57.85 53.15 2jg0 n ARG 154 Cb 0.49 -2.28 -0.04 0.00 -1.05 0.00 0.00 32.46 29.58 2jg0 n ARG 154 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2jg0 s GLU 155 N -3.69 1.40 0.44 2.89 1.03 -1.26 -5.09 118.70 114.43 2jg0 s GLU 155 Ca 0.56 -0.86 -0.22 0.00 0.03 0.00 0.00 54.97 54.48 2jg0 s GLU 155 Cb 0.45 0.53 -0.09 0.00 -0.80 0.00 0.00 34.13 34.22 2jg0 s GLU 155 CO 0.01 -0.60 1.04 0.54 -1.33 0.00 0.00 175.26 174.93 2jg0 s VAL 156 N -3.87 3.76 0.10 1.83 0.11 -1.26 -4.30 120.40 116.77 2jg0 s VAL 156 Ca 0.09 1.23 0.10 0.00 -2.93 0.00 0.00 61.98 60.47 2jg0 s VAL 156 Cb -0.01 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 2jg0 s VAL 156 CO -0.03 -0.11 -0.26 -0.31 -3.33 0.00 0.00 175.10 171.06 2jg0 s TYR 157 N -1.81 2.29 0.00 1.54 1.51 -1.26 -2.51 117.35 117.11 2jg0 s TYR 157 Ca 0.62 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.29 2jg0 s TYR 157 Cb -0.19 -1.29 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 2jg0 s TYR 157 CO 0.24 0.25 0.58 0.98 -1.11 0.00 0.00 175.55 176.50 2jg0 n TYR 158 N 1.24 0.00 0.17 2.71 9.36 -0.81 -2.68 117.16 127.15 2jg0 n TYR 158 Ca -0.18 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.06 2jg0 n TYR 158 Cb 0.53 -0.38 0.30 0.00 -0.63 0.00 0.00 39.34 39.16 2jg0 n TYR 158 CO 0.00 0.00 0.00 0.11 0.22 0.00 0.00 176.86 177.19 2jg0 h TRP 159 N 0.00 0.00 -0.99 2.98 5.08 -1.87 -2.20 115.95 118.95 2jg0 h TRP 159 Ca 0.00 0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.08 2jg0 h TRP 159 Cb 0.00 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.08 2jg0 h TRP 159 CO 0.12 0.45 0.63 -0.44 -1.28 0.00 0.00 178.44 177.92 2jg0 h ASP 160 N 0.00 0.93 -0.26 0.11 3.45 -1.96 -1.93 116.42 116.77 2jg0 h ASP 160 Ca -0.00 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 2jg0 h ASP 160 Cb 0.82 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.42 2jg0 h ASP 160 CO 0.06 0.52 0.14 0.28 -1.57 0.00 0.00 179.24 178.67 2jg0 h SER 161 N 1.01 0.37 -0.18 6.45 0.02 -1.17 -0.68 113.55 119.38 2jg0 h SER 161 Ca 0.47 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2jg0 h SER 161 Cb 0.41 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2jg0 h SER 161 CO -0.23 0.33 0.12 0.22 -1.14 0.00 0.00 176.83 176.13 2jg0 h TYR 162 N 0.42 0.22 -0.03 3.45 3.20 -1.43 0.37 116.97 123.17 2jg0 h TYR 162 Ca 0.11 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.82 2jg0 h TYR 162 Cb 0.06 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2jg0 h TYR 162 CO 0.00 0.14 -0.70 0.74 -1.64 0.00 0.00 178.16 176.70 2jg0 h PHE 163 N 0.24 0.23 -0.38 -3.82 0.04 -1.48 -0.78 116.94 110.97 2jg0 h PHE 163 Ca 0.07 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 2jg0 h PHE 163 Cb -0.02 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 2jg0 h PHE 163 CO -0.07 0.81 0.12 1.15 -0.60 0.00 0.00 178.31 179.72 2jg0 h THR 164 N 0.11 1.21 -0.59 -1.55 2.02 -0.93 -3.03 112.91 110.16 2jg0 h THR 164 Ca -0.02 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 2jg0 h THR 164 Cb 1.24 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 2jg0 h THR 164 CO 0.10 0.25 0.30 0.24 0.37 0.00 0.00 175.52 176.78 2jg0 h MET 165 N 0.48 0.83 -0.89 6.66 2.86 0.21 -1.02 114.93 124.05 2jg0 h MET 165 Ca 0.12 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2jg0 h MET 165 Cb 0.26 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.69 2jg0 h MET 165 CO -0.00 0.63 0.55 -0.07 1.06 0.00 0.00 176.91 179.08 2jg0 h LEU 166 N 0.83 0.83 -0.31 1.22 3.38 -1.03 0.13 115.31 120.36 2jg0 h LEU 166 Ca 0.21 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 2jg0 h LEU 166 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2jg0 h LEU 166 CO -0.03 0.50 -0.18 1.23 0.09 0.00 0.00 178.44 180.05 2jg0 h GLY 167 N 0.95 0.72 1.01 0.83 0.00 -1.29 -1.36 103.07 103.92 2jg0 h GLY 167 Ca 0.41 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2jg0 h GLY 167 CO -0.21 0.60 0.43 1.41 0.00 0.00 0.00 176.54 178.77 2jg0 h LEU 168 N 0.41 0.96 -0.43 3.11 3.38 -0.78 -1.67 115.31 120.29 2jg0 h LEU 168 Ca 0.06 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2jg0 h LEU 168 Cb 0.71 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2jg0 h LEU 168 CO 0.05 0.77 -0.02 0.00 0.09 0.00 0.00 178.44 179.34 2jg0 h ALA 169 N 1.23 0.58 -0.30 1.53 0.00 -0.72 0.21 119.26 121.78 2jg0 h ALA 169 Ca 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2jg0 h ALA 169 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2jg0 h ALA 169 CO -0.05 0.38 0.12 1.49 0.00 0.00 0.00 179.25 181.20 2jg0 h GLU 170 N 0.60 0.42 -0.60 0.00 4.57 -0.96 -1.98 114.58 116.62 2jg0 h GLU 170 Ca 0.12 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2jg0 h GLU 170 Cb 0.51 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2jg0 h GLU 170 CO 0.03 0.35 0.00 -1.13 -1.18 0.00 0.00 179.01 177.08 2jg0 n SER 171 N -4.41 3.47 0.00 1.04 3.41 -0.65 -4.94 113.62 111.54 2jg0 n SER 171 Ca 0.01 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 2jg0 n SER 171 Cb 0.13 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2jg0 n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jg0 n GLY 172 N 1.23 0.75 2.28 5.00 0.00 -0.74 -4.94 105.19 108.77 2jg0 n GLY 172 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2jg0 n GLY 172 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jg0 n HIS 173 N -2.44 1.64 0.27 1.61 8.25 0.68 -4.61 115.22 120.62 2jg0 n HIS 173 Ca 0.00 -2.42 0.14 0.00 -0.26 0.00 0.00 57.72 55.18 2jg0 n HIS 173 Cb 0.00 -1.95 0.74 0.00 1.12 0.00 0.00 29.99 29.91 2jg0 n HIS 173 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2jg0 h TRP 174 N 4.06 0.00 -0.75 4.41 4.06 -1.87 -1.76 115.95 124.09 2jg0 h TRP 174 Ca 0.58 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.51 2jg0 h TRP 174 Cb 0.70 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.83 2jg0 h TRP 174 CO 1.74 0.11 0.42 0.38 -3.56 0.00 0.00 178.44 177.53 2jg0 h ASP 175 N 0.00 0.94 -0.01 -3.49 2.03 -1.95 0.03 116.42 113.97 2jg0 h ASP 175 Ca -0.00 -0.09 -0.14 0.00 -0.73 0.00 0.00 57.03 56.06 2jg0 h ASP 175 Cb 0.35 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 2jg0 h ASP 175 CO 0.01 0.76 -0.47 0.11 -1.03 0.00 0.00 179.24 178.62 2jg0 h LYS 176 N 1.04 0.55 0.26 4.15 1.57 -1.72 0.11 116.57 122.53 2jg0 h LYS 176 Ca 0.27 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2jg0 h LYS 176 Cb 0.02 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2jg0 h LYS 176 CO -0.04 0.91 -0.12 0.28 -0.57 0.00 0.00 179.45 179.90 2jg0 h VAL 177 N 0.44 0.76 -0.74 0.50 2.07 -1.13 -1.06 116.25 117.08 2jg0 h VAL 177 Ca 0.03 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2jg0 h VAL 177 Cb 0.99 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 2jg0 h VAL 177 CO 0.09 0.01 0.42 0.00 0.02 0.00 0.00 177.57 178.12 2jg0 h ALA 178 N 0.36 1.02 -0.82 1.67 0.00 -0.83 -1.33 119.26 119.33 2jg0 h ALA 178 Ca -0.04 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2jg0 h ALA 178 Cb 0.29 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2jg0 h ALA 178 CO 0.06 0.10 0.49 -0.44 0.00 0.00 0.00 179.25 179.46 2jg0 h ASP 179 N 0.76 0.74 0.11 0.00 3.32 -0.73 -0.96 116.42 119.65 2jg0 h ASP 179 Ca 0.34 0.03 -0.22 0.00 0.02 0.00 0.00 57.03 57.20 2jg0 h ASP 179 Cb 0.23 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.67 2jg0 h ASP 179 CO -0.20 0.45 -0.86 0.24 -1.72 0.00 0.00 179.24 177.15 2jg0 h MET 180 N 0.86 0.58 -0.44 3.56 2.86 -0.43 -0.50 114.93 121.43 2jg0 h MET 180 Ca 0.38 -0.54 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2jg0 h MET 180 Cb 0.26 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2jg0 h MET 180 CO -0.21 1.16 0.28 0.28 1.06 0.00 0.00 176.91 179.48 2jg0 h VAL 181 N 0.37 1.09 -0.79 -2.22 2.07 -1.05 -0.97 116.25 114.75 2jg0 h VAL 181 Ca -0.07 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2jg0 h VAL 181 Cb 1.48 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 2jg0 h VAL 181 CO 0.16 0.10 0.48 0.00 0.02 0.00 0.00 177.57 178.34 2jg0 h ALA 182 N 1.17 1.07 -0.41 1.67 0.00 -1.01 0.58 119.26 122.33 2jg0 h ALA 182 Ca 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2jg0 h ALA 182 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2jg0 h ALA 182 CO -0.05 0.22 0.25 -0.91 0.00 0.00 0.00 179.25 178.76 2jg0 h ASN 183 N 0.89 0.41 -0.17 0.00 2.35 -0.48 -0.30 115.58 118.28 2jg0 h ASN 183 Ca 0.34 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.95 2jg0 h ASN 183 Cb 0.14 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2jg0 h ASN 183 CO -0.16 0.29 -0.38 -0.26 -1.65 0.00 0.00 177.43 175.27 2jg0 h PHE 184 N 0.50 0.83 -0.59 1.19 0.04 -0.65 -1.26 116.94 117.01 2jg0 h PHE 184 Ca 0.16 -0.24 0.01 0.00 2.80 0.00 0.00 57.97 60.70 2jg0 h PHE 184 Cb -0.01 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 2jg0 h PHE 184 CO -0.07 0.97 0.39 0.00 -0.60 0.00 0.00 178.31 179.01 2jg0 h ALA 185 N 0.99 0.75 -0.60 2.45 0.00 -0.73 0.08 119.26 122.20 2jg0 h ALA 185 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2jg0 h ALA 185 Cb 0.92 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2jg0 h ALA 185 CO 0.08 0.17 0.34 1.25 0.00 0.00 0.00 179.25 181.10 2jg0 h HIS 186 N 0.79 0.64 -0.64 0.00 -0.00 -0.74 -1.61 115.15 113.59 2jg0 h HIS 186 Ca 0.22 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 2jg0 h HIS 186 Cb -0.08 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.10 2jg0 h HIS 186 CO -0.04 0.33 0.29 0.93 -0.00 0.00 0.00 177.93 179.45 2jg0 h GLU 187 N 0.66 0.94 -0.38 5.26 5.08 -0.68 0.15 114.58 125.61 2jg0 h GLU 187 Ca 0.26 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2jg0 h GLU 187 Cb 0.10 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2jg0 h GLU 187 CO -0.14 0.76 0.12 0.82 -1.00 0.00 0.00 179.01 179.58 2jg0 h ILE 188 N 0.89 0.88 -0.12 3.13 2.04 -0.66 0.39 117.51 124.06 2jg0 h ILE 188 Ca 0.22 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.86 2jg0 h ILE 188 Cb 0.15 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2jg0 h ILE 188 CO -0.02 0.05 -0.48 0.44 0.00 0.00 0.00 178.15 178.13 2jg0 h ASP 189 N 0.28 0.34 0.09 1.72 3.32 -0.93 0.12 116.42 121.35 2jg0 h ASP 189 Ca 0.17 -0.16 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 2jg0 h ASP 189 Cb 0.16 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 39.63 2jg0 h ASP 189 CO -0.18 0.77 -0.68 0.74 -1.72 0.00 0.00 179.24 178.17 2jg0 h THR 190 N 0.25 1.51 0.00 0.35 2.02 -0.35 -3.39 112.91 113.31 2jg0 h THR 190 Ca 0.01 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.82 2jg0 h THR 190 Cb 0.94 3.03 0.00 0.00 -1.74 0.00 0.00 68.15 70.39 2jg0 h THR 190 CO 0.08 0.67 -1.07 -1.22 0.37 0.00 0.00 175.52 174.35 2jg0 n TYR 191 N -4.20 0.00 -0.09 3.16 4.01 0.10 -5.00 117.16 115.14 2jg0 n TYR 191 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2jg0 n TYR 191 Cb 0.74 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 2jg0 n TYR 191 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jg0 n GLY 192 N 1.50 0.93 3.82 2.72 0.00 0.40 -5.00 105.19 109.57 2jg0 n GLY 192 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2jg0 n GLY 192 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jg0 s HIS 193 N -2.43 -0.18 -0.36 1.61 -3.43 -1.23 -4.61 115.29 104.66 2jg0 s HIS 193 Ca 0.00 -0.23 -0.21 0.00 -0.80 0.00 0.00 55.06 53.81 2jg0 s HIS 193 Cb 0.00 0.69 0.01 0.00 -1.43 0.00 0.00 32.58 31.84 2jg0 s HIS 193 CO 0.00 -1.12 0.69 0.42 -2.00 0.00 0.00 174.74 172.73 2jg0 s ILE 194 N -3.74 4.83 0.84 -5.38 1.01 -1.26 -3.79 121.20 113.70 2jg0 s ILE 194 Ca 0.11 0.67 -0.10 0.00 0.00 0.00 0.00 60.65 61.33 2jg0 s ILE 194 Cb -0.05 -4.13 0.10 0.00 0.01 0.00 0.00 42.46 38.39 2jg0 s ILE 194 CO 0.05 -0.37 1.12 -2.16 0.00 0.00 0.00 174.94 173.58 2jg0 s PRO 195 N 2.86 1.67 0.32 2.79 0.04 -1.26 -4.17 135.00 137.25 2jg0 s PRO 195 Ca 0.27 1.37 0.09 0.00 0.04 0.00 0.00 61.00 62.77 2jg0 s PRO 195 Cb -0.14 -1.82 0.94 0.00 0.04 0.00 0.00 34.50 33.53 2jg0 s PRO 195 CO 0.16 -2.12 1.64 -0.97 0.04 0.00 0.00 177.00 175.75 2jg0 h ASN 196 N -1.45 0.19 -5.11 6.66 -0.73 -1.50 -3.40 115.58 110.24 2jg0 h ASN 196 Ca -0.43 0.21 -0.03 0.00 1.87 0.00 0.00 56.30 57.92 2jg0 h ASN 196 Cb 1.25 0.24 -0.04 0.00 0.27 0.00 0.00 38.32 40.04 2jg0 h ASN 196 CO 0.47 -0.21 0.13 -0.83 -0.37 0.00 0.00 177.43 176.62 2jg0 s GLY 197 N -4.15 0.40 -1.53 1.57 0.00 -1.26 -1.93 107.32 100.42 2jg0 s GLY 197 Ca -0.11 -0.74 -0.10 0.00 0.00 0.00 0.00 44.72 43.77 2jg0 s GLY 197 CO 0.78 -0.39 2.68 1.16 0.00 0.00 0.00 173.10 177.34 2jg0 n ASN 198 N -0.94 7.53 -4.16 1.64 6.94 -1.04 -4.69 115.26 120.55 2jg0 n ASN 198 Ca -0.05 -2.74 -0.19 0.00 -0.02 0.00 0.00 54.58 51.59 2jg0 n ASN 198 Cb 0.60 -1.55 -0.12 0.00 -2.36 0.00 0.00 39.78 36.35 2jg0 n ASN 198 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jg0 s ARG 199 N 1.78 0.85 0.39 -3.83 1.81 -1.26 -0.93 118.95 117.76 2jg0 s ARG 199 Ca 0.62 -0.89 0.09 0.00 -1.72 0.00 0.00 55.73 53.83 2jg0 s ARG 199 Cb 0.17 -0.85 0.84 0.00 -0.45 0.00 0.00 34.95 34.66 2jg0 s ARG 199 CO -0.07 0.20 1.96 0.66 -0.68 0.00 0.00 175.30 177.37 2jg0 h SER 200 N 4.50 0.56 0.08 0.23 4.64 -1.07 -0.93 113.55 121.56 2jg0 h SER 200 Ca -0.40 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2jg0 h SER 200 Cb 1.19 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2jg0 h SER 200 CO 0.41 0.35 0.00 0.00 -0.87 0.00 0.00 176.83 176.73 2jg0 n TYR 201 N -4.48 0.00 0.69 4.77 0.18 -1.26 -2.64 117.16 114.42 2jg0 n TYR 201 Ca 0.11 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.96 2jg0 n TYR 201 Cb 0.28 -0.05 0.03 0.00 -0.38 0.00 0.00 39.34 39.22 2jg0 n TYR 201 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2jg0 n TYR 202 N -1.05 0.00 0.26 -3.48 4.01 -0.36 -4.63 117.16 111.91 2jg0 n TYR 202 Ca 0.18 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.04 2jg0 n TYR 202 Cb 0.11 0.00 0.71 0.00 -0.31 0.00 0.00 39.34 39.85 2jg0 n TYR 202 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2jg0 h LEU 203 N 2.34 0.00 0.00 7.72 3.38 -1.49 -2.68 115.31 124.58 2jg0 h LEU 203 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jg0 h LEU 203 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2jg0 h LEU 203 CO 0.00 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.10 2jg0 n SER 204 N -3.88 0.00 -3.81 -0.43 3.41 -1.26 -4.84 113.62 102.81 2jg0 n SER 204 Ca -0.02 0.36 -0.11 0.00 -0.26 0.00 0.00 58.87 58.84 2jg0 n SER 204 Cb 0.20 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.67 2jg0 n SER 204 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jg0 s ARG 205 N -2.86 1.61 0.00 4.33 1.70 -1.01 -0.68 118.95 122.05 2jg0 s ARG 205 Ca 0.09 -1.42 0.00 0.00 -0.47 0.00 0.00 55.73 53.93 2jg0 s ARG 205 Cb 0.09 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 2jg0 s ARG 205 CO 0.23 -0.66 0.00 0.45 -1.08 0.00 0.00 175.30 174.24 2jg0 n SER 206 N -0.64 0.00 -2.69 -2.89 2.88 -1.26 -2.44 113.62 106.58 2jg0 n SER 206 Ca -0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2jg0 n SER 206 Cb 0.62 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.10 2jg0 n SER 206 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jg0 n GLN 207 N 0.00 1.02 -1.65 -1.46 6.02 -1.25 -3.41 117.38 116.64 2jg0 n GLN 207 Ca 0.00 -2.15 -0.49 0.00 -0.01 0.00 0.00 57.00 54.35 2jg0 n GLN 207 Cb 0.00 2.59 -0.05 0.00 1.02 0.00 0.00 30.24 33.80 2jg0 n GLN 207 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2jg0 n PRO 208 N -0.51 1.75 -2.49 -1.09 -0.02 -1.22 -4.79 135.00 126.63 2jg0 n PRO 208 Ca -0.07 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 2jg0 n PRO 208 Cb 0.55 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2jg0 n PRO 208 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jg0 s PRO 209 N 1.60 3.31 0.00 0.52 0.04 -1.26 -4.38 135.00 134.83 2jg0 s PRO 209 Ca 0.85 0.16 0.12 0.00 0.04 0.00 0.00 61.00 62.17 2jg0 s PRO 209 Cb -0.81 -4.12 0.13 0.00 0.04 0.00 0.00 34.50 29.75 2jg0 s PRO 209 CO 0.46 -1.96 0.94 1.19 0.04 0.00 0.00 177.00 177.67 2jg0 n PHE 210 N 9.27 0.08 -0.21 0.56 3.72 -1.26 -4.74 117.46 124.87 2jg0 n PHE 210 Ca 0.08 -0.08 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 2jg0 n PHE 210 Cb 0.49 -0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.12 2jg0 n PHE 210 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2jg0 h PHE 211 N 2.29 0.57 -0.79 1.38 3.57 -1.94 1.00 116.94 123.01 2jg0 h PHE 211 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2jg0 h PHE 211 Cb 0.53 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2jg0 h PHE 211 CO 0.04 0.24 0.52 0.00 -2.23 0.00 0.00 178.31 176.88 2jg0 h ALA 212 N 1.36 1.47 -0.06 2.41 0.00 -1.97 -0.24 119.26 122.23 2jg0 h ALA 212 Ca 0.29 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2jg0 h ALA 212 Cb 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jg0 h ALA 212 CO -0.21 0.48 -0.46 -0.07 0.00 0.00 0.00 179.25 178.99 2jg0 h LEU 213 N 1.03 0.16 -0.60 0.00 3.38 -1.59 -0.56 115.31 117.13 2jg0 h LEU 213 Ca 0.30 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 2jg0 h LEU 213 Cb -0.06 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2jg0 h LEU 213 CO -0.07 0.59 0.20 0.24 0.09 0.00 0.00 178.44 179.49 2jg0 h MET 214 N 0.12 0.93 -0.33 1.13 2.86 0.33 0.10 114.93 120.07 2jg0 h MET 214 Ca 0.01 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 2jg0 h MET 214 Cb 0.86 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 2jg0 h MET 214 CO 0.07 0.82 0.05 0.28 1.06 0.00 0.00 176.91 179.19 2jg0 h VAL 215 N 0.85 1.24 -0.89 -2.22 2.07 -0.81 -0.98 116.25 115.51 2jg0 h VAL 215 Ca 0.20 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.95 2jg0 h VAL 215 Cb 0.27 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 2jg0 h VAL 215 CO -0.01 0.28 0.55 1.05 0.02 0.00 0.00 177.57 179.46 2jg0 h GLU 216 N 0.38 0.96 -0.17 1.57 4.11 -0.97 -0.18 114.58 120.29 2jg0 h GLU 216 Ca 0.10 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2jg0 h GLU 216 Cb 0.36 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2jg0 h GLU 216 CO 0.01 0.64 0.11 1.25 0.07 0.00 0.00 179.01 181.08 2jg0 h LEU 217 N 0.99 0.20 -1.12 3.06 5.85 -0.60 -2.25 115.31 121.45 2jg0 h LEU 217 Ca 0.40 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.10 2jg0 h LEU 217 Cb 0.21 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2jg0 h LEU 217 CO -0.19 0.17 0.60 0.25 -0.34 0.00 0.00 178.44 178.93 2jg0 h LEU 218 N 0.21 1.02 -2.07 2.25 5.85 -0.62 -0.43 115.31 121.52 2jg0 h LEU 218 Ca 0.06 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2jg0 h LEU 218 Cb 0.00 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 2jg0 h LEU 218 CO -0.01 0.73 -0.03 0.00 -0.34 0.00 0.00 178.44 178.79 2jg0 h ALA 219 N 1.44 1.05 0.00 1.25 0.00 -0.68 0.20 119.26 122.53 2jg0 h ALA 219 Ca 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2jg0 h ALA 219 Cb -0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jg0 h ALA 219 CO -0.08 0.04 -0.05 1.96 0.00 0.00 0.00 179.25 181.12 2jg0 h GLN 220 N 0.00 0.00 0.00 0.00 4.20 -0.48 0.95 115.11 119.77 2jg0 h GLN 220 Ca -0.00 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 2jg0 h GLN 220 Cb 0.31 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.02 2jg0 h GLN 220 CO 0.00 0.05 -2.41 1.58 -0.67 0.00 0.00 178.83 177.39 2jg0 n HIS 221 N -3.40 0.00 1.05 2.96 -0.00 -0.34 -4.71 115.22 110.79 2jg0 n HIS 221 Ca -0.02 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.28 2jg0 n HIS 221 Cb 0.19 -0.94 0.07 0.00 -0.12 0.00 0.00 29.99 29.19 2jg0 n HIS 221 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2jg0 n GLU 222 N -3.52 1.18 0.00 1.57 1.02 -0.09 -5.08 120.64 115.72 2jg0 n GLU 222 Ca -0.46 -0.94 0.00 0.00 -0.02 0.00 0.00 57.16 55.75 2jg0 n GLU 222 Cb 0.93 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 2jg0 n GLU 222 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jg0 n GLY 223 N 1.40 -0.45 0.26 0.62 0.00 0.32 -4.08 105.19 103.27 2jg0 n GLY 223 Ca 0.10 -1.06 0.17 0.00 0.00 0.00 0.00 46.02 45.24 2jg0 n GLY 223 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jg0 h ASP 224 N 0.00 0.00 -1.01 1.61 5.19 -1.98 -2.04 116.42 118.20 2jg0 h ASP 224 Ca 0.00 0.00 0.24 0.00 -0.62 0.00 0.00 57.03 56.65 2jg0 h ASP 224 Cb 0.00 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.39 2jg0 h ASP 224 CO 0.00 0.00 0.61 0.00 -3.12 0.00 0.00 179.24 176.73 2jg0 h ALA 225 N 2.04 1.82 -0.44 3.45 0.00 -1.95 -0.63 119.26 123.55 2jg0 h ALA 225 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2jg0 h ALA 225 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jg0 h ALA 225 CO 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 179.25 178.89 2jg0 h ALA 226 N 1.71 0.61 -0.44 0.00 0.00 -1.58 -0.06 119.26 119.50 2jg0 h ALA 226 Ca 0.63 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2jg0 h ALA 226 Cb 1.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2jg0 h ALA 226 CO -0.45 0.48 0.23 -0.07 0.00 0.00 0.00 179.25 179.44 2jg0 h LEU 227 N 0.67 0.57 -0.62 0.00 3.38 -1.37 -2.37 115.31 115.56 2jg0 h LEU 227 Ca 0.12 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2jg0 h LEU 227 Cb 0.61 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2jg0 h LEU 227 CO 0.04 0.52 -0.01 0.11 0.09 0.00 0.00 178.44 179.19 2jg0 h LYS 228 N 0.57 1.08 -0.43 1.13 1.57 -1.06 -1.39 116.57 118.04 2jg0 h LYS 228 Ca 0.15 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2jg0 h LYS 228 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2jg0 h LYS 228 CO -0.02 1.05 0.28 0.37 -0.57 0.00 0.00 179.45 180.56 2jg0 h GLN 229 N 0.98 0.55 -0.56 3.15 4.15 -0.87 -3.15 115.11 119.37 2jg0 h GLN 229 Ca 0.17 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2jg0 h GLN 229 Cb 0.57 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.14 2jg0 h GLN 229 CO 0.03 0.36 0.00 0.66 -1.93 0.00 0.00 178.83 177.96 2jg0 n TYR 230 N -4.80 0.74 -0.24 3.99 4.01 -0.91 -4.40 117.16 115.55 2jg0 n TYR 230 Ca 0.01 -0.40 0.04 0.00 -0.16 0.00 0.00 57.90 57.40 2jg0 n TYR 230 Cb 0.03 -0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.23 2jg0 n TYR 230 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2jg0 h LEU 231 N 4.09 0.07 -0.79 7.72 5.85 -1.20 -0.49 115.31 130.55 2jg0 h LEU 231 Ca 0.00 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2jg0 h LEU 231 Cb 0.95 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2jg0 h LEU 231 CO 0.00 0.00 0.47 -0.65 -0.34 0.00 0.00 178.44 177.92 2jg0 h PRO 232 N 0.30 0.80 -0.02 5.25 0.11 -1.81 -0.54 132.00 136.10 2jg0 h PRO 232 Ca 0.39 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.29 2jg0 h PRO 232 Cb 0.64 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2jg0 h PRO 232 CO -0.47 0.53 -0.76 1.96 -0.21 0.00 0.00 178.00 179.06 2jg0 h GLN 233 N 0.83 0.14 -0.59 1.05 7.50 -1.71 -0.82 115.11 121.51 2jg0 h GLN 233 Ca 0.36 -0.13 -0.05 0.00 0.50 0.00 0.00 58.65 59.33 2jg0 h GLN 233 Cb 0.24 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.78 2jg0 h GLN 233 CO -0.20 0.83 0.18 0.52 -1.50 0.00 0.00 178.83 178.66 2jg0 h MET 234 N 0.09 0.92 -0.64 1.46 2.86 -0.70 -0.49 114.93 118.43 2jg0 h MET 234 Ca -0.02 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.34 2jg0 h MET 234 Cb 1.33 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 2jg0 h MET 234 CO 0.11 0.83 0.08 1.96 1.06 0.00 0.00 176.91 180.95 2jg0 h GLN 235 N 0.84 1.07 -0.70 1.72 4.20 -0.97 -1.32 115.11 119.95 2jg0 h GLN 235 Ca 0.19 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 2jg0 h GLN 235 Cb 0.29 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2jg0 h GLN 235 CO -0.01 1.00 0.18 -0.22 -0.67 0.00 0.00 178.83 179.12 2jg0 h LYS 236 N 0.99 1.12 -0.55 1.46 3.64 -0.93 -0.47 116.57 121.82 2jg0 h LYS 236 Ca 0.19 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 2jg0 h LYS 236 Cb 0.46 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2jg0 h LYS 236 CO 0.02 0.98 0.02 1.49 -2.27 0.00 0.00 179.45 179.68 2jg0 h GLU 237 N 1.06 0.93 -0.78 1.90 4.81 -0.87 -2.30 114.58 119.33 2jg0 h GLU 237 Ca 0.22 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2jg0 h GLU 237 Cb 0.35 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2jg0 h GLU 237 CO -0.00 0.91 0.34 -0.92 -0.73 0.00 0.00 179.01 178.61 2jg0 h TYR 238 N 0.86 1.16 -0.73 0.92 3.20 -0.75 -1.36 116.97 120.26 2jg0 h TYR 238 Ca 0.16 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.02 2jg0 h TYR 238 Cb 0.48 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 2jg0 h TYR 238 CO 0.03 0.86 0.48 0.00 -1.64 0.00 0.00 178.16 177.89 2jg0 h ALA 239 N 1.18 1.65 0.13 1.82 0.00 -0.80 0.10 119.26 123.33 2jg0 h ALA 239 Ca 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2jg0 h ALA 239 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jg0 h ALA 239 CO -0.03 0.25 -0.06 -0.92 0.00 0.00 0.00 179.25 178.49 2jg0 h TYR 240 N 0.82 -0.17 -0.68 0.00 3.20 -0.71 -1.47 116.97 117.95 2jg0 h TYR 240 Ca 0.31 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 2jg0 h TYR 240 Cb 0.18 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 2jg0 h TYR 240 CO -0.00 0.03 0.36 -1.49 -1.64 0.00 0.00 178.16 175.42 2jg0 h TRP 241 N -0.34 0.93 -0.15 -3.82 4.06 -0.70 -2.41 115.95 113.51 2jg0 h TRP 241 Ca -0.02 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2jg0 h TRP 241 Cb 0.27 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 2jg0 h TRP 241 CO -0.02 0.66 0.00 -1.33 -3.56 0.00 0.00 178.44 174.19 2jg0 n MET 242 N -4.36 1.80 -1.89 0.49 2.81 -0.04 -4.21 117.12 111.73 2jg0 n MET 242 Ca 0.07 -1.20 -0.42 0.00 -1.81 0.00 0.00 57.70 54.33 2jg0 n MET 242 Cb 0.11 -1.42 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 2jg0 n MET 242 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2jg0 s ASP 243 N -1.65 6.55 0.00 7.83 2.15 -0.56 -1.70 116.67 129.29 2jg0 s ASP 243 Ca 0.34 2.35 0.00 0.00 0.43 0.00 0.00 52.55 55.66 2jg0 s ASP 243 Cb 0.19 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2jg0 s ASP 243 CO 0.28 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 2jg0 n GLY 244 N 4.33 1.71 0.33 2.66 0.00 -1.26 -4.50 105.19 108.46 2jg0 n GLY 244 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 2jg0 n GLY 244 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2jg0 h VAL 245 N 0.00 1.19 -2.71 1.61 -1.51 -1.66 -3.32 116.25 109.85 2jg0 h VAL 245 Ca 0.00 -0.49 -0.53 0.00 -1.23 0.00 0.00 66.70 64.45 2jg0 h VAL 245 Cb 0.00 0.33 0.03 0.00 -2.13 0.00 0.00 31.29 29.51 2jg0 h VAL 245 CO 0.00 0.22 0.98 -0.70 -1.23 0.00 0.00 177.57 176.83 2jg0 s GLU 246 N -5.60 4.20 0.00 5.19 2.12 -1.26 -1.63 118.70 121.71 2jg0 s GLU 246 Ca -0.10 2.36 0.00 0.00 0.36 0.00 0.00 54.97 57.59 2jg0 s GLU 246 Cb 0.17 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2jg0 s GLU 246 CO 0.78 -0.71 0.00 -1.71 -0.54 0.00 0.00 175.26 173.08 2jg0 n ASN 247 N 5.14 -0.50 -4.73 -1.70 5.15 -1.26 -4.99 115.26 112.37 2jg0 n ASN 247 Ca 0.15 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.72 2jg0 n ASN 247 Cb 0.40 -0.68 -0.04 0.00 -0.53 0.00 0.00 39.78 38.93 2jg0 n ASN 247 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2jg0 s LEU 248 N 0.00 4.46 0.26 1.20 2.96 -0.65 -5.04 118.68 121.88 2jg0 s LEU 248 Ca 0.00 2.09 0.07 0.00 -0.22 0.00 0.00 54.13 56.07 2jg0 s LEU 248 Cb 0.00 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 2jg0 s LEU 248 CO 0.00 -0.29 0.22 -1.10 -1.32 0.00 0.00 176.35 173.87 2jg0 s GLN 249 N -0.10 2.93 0.18 1.98 -1.52 -1.26 -5.05 119.66 116.82 2jg0 s GLN 249 Ca 0.51 -1.07 -0.33 0.00 -1.95 0.00 0.00 55.36 52.52 2jg0 s GLN 249 Cb -0.30 -2.57 -0.15 0.00 -0.22 0.00 0.00 33.01 29.77 2jg0 s GLN 249 CO 0.34 0.36 1.28 0.00 -0.25 0.00 0.00 175.29 177.02 2jg0 n ALA 250 N -1.22 -0.11 -0.82 6.09 0.00 -1.26 -1.91 120.51 121.27 2jg0 n ALA 250 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2jg0 n ALA 250 Cb 0.58 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2jg0 n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jg0 n GLY 251 N 2.21 0.56 3.56 0.00 0.00 0.11 -4.81 105.19 106.81 2jg0 n GLY 251 Ca 0.15 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 2jg0 n GLY 251 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jg0 s GLN 252 N -0.64 1.99 0.03 1.61 -0.21 -0.80 -4.95 119.66 116.69 2jg0 s GLN 252 Ca 0.00 -1.55 0.05 0.00 0.02 0.00 0.00 55.36 53.87 2jg0 s GLN 252 Cb 0.00 -1.99 -0.02 0.00 1.00 0.00 0.00 33.01 32.00 2jg0 s GLN 252 CO 0.00 0.36 -0.14 -0.65 -2.12 0.00 0.00 175.29 172.74 2jg0 s GLN 253 N -3.50 0.95 -0.14 2.91 1.11 -1.26 -0.88 119.66 118.86 2jg0 s GLN 253 Ca 0.30 -0.72 -0.05 0.00 0.01 0.00 0.00 55.36 54.90 2jg0 s GLN 253 Cb -0.06 -0.96 0.07 0.00 -1.01 0.00 0.00 33.01 31.05 2jg0 s GLN 253 CO 0.17 0.24 0.28 -2.00 0.01 0.00 0.00 175.29 173.99 2jg0 s GLU 254 N -1.03 0.17 5.64 2.91 2.56 -0.24 -5.02 118.70 123.69 2jg0 s GLU 254 Ca 0.02 0.77 0.00 0.00 0.00 0.00 0.00 54.97 55.76 2jg0 s GLU 254 Cb -0.07 0.00 0.00 0.00 2.00 0.00 0.00 34.13 36.06 2jg0 s GLU 254 CO 0.01 -0.27 0.00 1.63 -0.56 0.00 0.00 175.26 176.07 2jg0 n LYS 255 N 5.28 0.00 -0.25 4.30 5.02 -1.26 -0.91 118.16 130.34 2jg0 n LYS 255 Ca -0.08 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.29 2jg0 n LYS 255 Cb 0.50 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.72 2jg0 n LYS 255 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jg0 n ARG 256 N 14.00 2.12 -4.83 1.97 1.74 -1.26 -4.77 116.66 125.63 2jg0 n ARG 256 Ca 0.00 -1.75 -0.33 0.00 -0.77 0.00 0.00 57.85 55.00 2jg0 n ARG 256 Cb 0.00 -1.38 -0.13 0.00 -1.02 0.00 0.00 32.46 29.94 2jg0 n ARG 256 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2jg0 s VAL 257 N -1.35 3.17 -0.04 1.55 -7.23 -0.09 -1.04 120.40 115.37 2jg0 s VAL 257 Ca 0.33 -0.70 0.04 0.00 -1.81 0.00 0.00 61.98 59.84 2jg0 s VAL 257 Cb 0.17 -2.25 -0.00 0.00 0.56 0.00 0.00 36.38 34.85 2jg0 s VAL 257 CO 0.22 0.58 -0.17 0.68 -0.31 0.00 0.00 175.10 176.11 2jg0 s VAL 258 N -0.76 1.39 -0.24 1.32 -7.23 0.16 -1.08 120.40 113.96 2jg0 s VAL 258 Ca 0.12 -0.70 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 2jg0 s VAL 258 Cb -0.11 -1.19 0.03 0.00 0.56 0.00 0.00 36.38 35.67 2jg0 s VAL 258 CO 0.01 0.40 -0.09 -0.75 -0.31 0.00 0.00 175.10 174.35 2jg0 s LYS 259 N 0.02 2.81 0.97 4.82 2.20 -0.06 -1.12 119.74 129.38 2jg0 s LYS 259 Ca -0.03 -0.99 -0.13 0.00 -0.36 0.00 0.00 55.97 54.46 2jg0 s LYS 259 Cb -0.11 -2.89 0.17 0.00 -1.51 0.00 0.00 37.83 33.49 2jg0 s LYS 259 CO 0.02 -0.38 1.12 -0.51 -0.36 0.00 0.00 175.35 175.24 2jg0 s LEU 260 N 1.29 1.74 0.52 5.43 1.43 0.41 0.04 118.68 129.55 2jg0 s LEU 260 Ca 0.00 1.00 0.19 0.00 -1.03 0.00 0.00 54.13 54.29 2jg0 s LEU 260 Cb -0.16 -3.21 1.33 0.00 0.03 0.00 0.00 46.19 44.17 2jg0 s LEU 260 CO -0.06 -2.93 2.14 1.56 0.23 0.00 0.00 176.35 177.28 2jg0 h GLN 261 N -1.76 0.00 -0.30 1.70 4.20 -1.89 -0.18 115.11 116.88 2jg0 h GLN 261 Ca -0.52 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2jg0 h GLN 261 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 2jg0 h GLN 261 CO 0.58 0.04 0.00 -0.40 -0.67 0.00 0.00 178.83 178.38 2jg0 n ASP 262 N -4.34 1.61 0.00 1.46 5.75 -1.26 -4.67 116.55 115.10 2jg0 n ASP 262 Ca -0.03 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 2jg0 n ASP 262 Cb 0.12 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2jg0 n ASP 262 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jg0 n GLY 263 N 0.97 1.00 3.73 6.12 0.00 -0.10 -5.04 105.19 111.88 2jg0 n GLY 263 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2jg0 n GLY 263 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jg0 s THR 264 N -2.43 2.04 -0.22 2.61 2.01 -1.26 -4.61 115.64 113.78 2jg0 s THR 264 Ca 0.00 0.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.95 2jg0 s THR 264 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 2jg0 s THR 264 CO 0.00 0.00 0.10 -0.76 -0.69 0.00 0.00 174.62 173.28 2jg0 s LEU 265 N 0.50 3.85 0.25 4.42 1.43 -1.26 -0.44 118.68 127.43 2jg0 s LEU 265 Ca 0.70 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.84 2jg0 s LEU 265 Cb -0.49 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2jg0 s LEU 265 CO 0.38 0.08 0.16 -0.76 0.23 0.00 0.00 176.35 176.44 2jg0 s LEU 266 N 0.95 1.43 0.28 1.79 1.43 -0.27 -4.82 118.68 119.47 2jg0 s LEU 266 Ca 0.05 -1.49 0.10 0.00 -1.03 0.00 0.00 54.13 51.76 2jg0 s LEU 266 Cb -0.14 0.33 -0.05 0.00 0.03 0.00 0.00 46.19 46.36 2jg0 s LEU 266 CO 0.03 -0.88 -0.07 0.20 0.23 0.00 0.00 176.35 175.86 2jg0 s ASN 267 N -3.27 4.16 0.22 2.29 -0.87 -1.26 -0.66 114.94 115.55 2jg0 s ASN 267 Ca 0.38 -0.83 0.01 0.00 -1.57 0.00 0.00 52.86 50.86 2jg0 s ASN 267 Cb 0.06 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.25 40.63 2jg0 s ASN 267 CO 0.16 -0.02 0.06 0.00 -2.57 0.00 0.00 177.10 174.73 2jg0 s ARG 268 N -3.62 1.26 0.27 -0.60 1.70 -0.21 -4.17 118.95 113.58 2jg0 s ARG 268 Ca 0.31 -1.65 -0.26 0.00 -0.47 0.00 0.00 55.73 53.67 2jg0 s ARG 268 Cb -0.05 -0.21 -0.09 0.00 -0.57 0.00 0.00 34.95 34.03 2jg0 s ARG 268 CO 0.18 -0.23 0.89 0.71 -1.08 0.00 0.00 175.30 175.77 2jg0 s TYR 269 N -3.75 3.77 0.00 5.89 2.02 -1.26 -4.57 117.35 119.45 2jg0 s TYR 269 Ca 0.32 1.73 -0.14 0.00 -0.37 0.00 0.00 57.07 58.60 2jg0 s TYR 269 Cb 0.07 -2.87 0.02 0.00 -0.40 0.00 0.00 41.96 38.79 2jg0 s TYR 269 CO 0.09 0.31 0.31 -0.46 -1.57 0.00 0.00 175.55 174.23 2jg0 s TRP 270 N -1.46 -0.16 -0.01 2.71 -0.11 -1.26 -4.52 118.94 114.12 2jg0 s TRP 270 Ca 0.46 0.17 0.03 0.00 1.22 0.00 0.00 56.10 57.98 2jg0 s TRP 270 Cb -0.20 0.10 -0.01 0.00 -1.50 0.00 0.00 33.47 31.86 2jg0 s TRP 270 CO 0.25 -0.43 -0.11 0.34 -4.62 0.00 0.00 176.95 172.38 2jg0 s ASP 271 N -1.57 1.35 0.00 5.86 -1.08 -1.26 -4.60 116.67 115.37 2jg0 s ASP 271 Ca -0.11 -0.21 0.30 0.00 -0.52 0.00 0.00 52.55 52.02 2jg0 s ASP 271 Cb -0.04 -0.21 1.74 0.00 -1.46 0.00 0.00 42.92 42.96 2jg0 s ASP 271 CO 0.02 0.13 2.12 -0.90 0.52 0.00 0.00 175.17 177.05 2jg0 n ASP 272 N 2.92 0.00 -4.72 -0.34 5.68 0.15 -4.77 116.55 115.47 2jg0 n ASP 272 Ca -0.15 -0.75 -0.23 0.00 -0.50 0.00 0.00 54.79 53.15 2jg0 n ASP 272 Cb 0.56 -0.07 -0.06 0.00 -1.14 0.00 0.00 41.12 40.40 2jg0 n ASP 272 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2jg0 s ARG 273 N -2.14 2.56 -0.27 0.11 0.52 -1.26 -5.06 118.95 113.41 2jg0 s ARG 273 Ca 0.41 -1.21 0.18 0.00 -0.52 0.00 0.00 55.73 54.60 2jg0 s ARG 273 Cb 0.21 -2.36 0.49 0.00 0.52 0.00 0.00 34.95 33.81 2jg0 s ARG 273 CO 0.38 0.40 1.13 -0.40 0.02 0.00 0.00 175.30 176.83 2jg0 n ASP 274 N -0.81 2.69 -4.51 0.23 5.75 -1.26 -4.40 116.55 114.24 2jg0 n ASP 274 Ca -0.08 -2.60 -0.24 0.00 -0.01 0.00 0.00 54.79 51.86 2jg0 n ASP 274 Cb 0.58 -0.43 -0.11 0.00 -1.03 0.00 0.00 41.12 40.13 2jg0 n ASP 274 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2jg0 s THR 275 N -4.07 1.81 0.58 2.12 -4.23 -1.26 -4.44 115.64 106.15 2jg0 s THR 275 Ca 0.35 -2.10 -0.20 0.00 -1.18 0.00 0.00 61.69 58.56 2jg0 s THR 275 Cb 0.35 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 2jg0 s THR 275 CO -0.01 -0.15 1.22 -2.65 -0.54 0.00 0.00 174.62 172.49 2jg0 n PRO 276 N -0.75 1.31 -2.12 3.99 -0.02 -1.26 -4.77 135.00 131.38 2jg0 n PRO 276 Ca -0.05 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 2jg0 n PRO 276 Cb 0.65 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2jg0 n PRO 276 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jg0 s ARG 277 N -2.93 4.27 0.31 -0.52 0.52 -1.26 -4.89 118.95 114.46 2jg0 s ARG 277 Ca 0.75 2.11 0.05 0.00 -0.52 0.00 0.00 55.73 58.12 2jg0 s ARG 277 Cb -0.42 -3.43 0.68 0.00 0.52 0.00 0.00 34.95 32.30 2jg0 s ARG 277 CO 0.47 -0.56 1.84 -1.35 0.02 0.00 0.00 175.30 175.72 2jg0 h PRO 278 N 7.49 0.83 0.00 3.54 0.11 -1.91 0.30 132.00 142.37 2jg0 h PRO 278 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jg0 h PRO 278 Cb 1.20 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2jg0 h PRO 278 CO 0.90 0.55 0.00 -0.85 -0.21 0.00 0.00 178.00 178.39 2jg0 n GLU 279 N -4.61 0.01 -2.70 1.05 0.00 -1.26 -3.40 120.64 109.73 2jg0 n GLU 279 Ca 0.19 0.07 -0.07 0.00 0.00 0.00 0.00 57.16 57.35 2jg0 n GLU 279 Cb 0.42 -1.51 0.04 0.00 0.00 0.00 0.00 31.44 30.39 2jg0 n GLU 279 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2jg0 n SER 280 N -1.53 1.21 0.32 -1.84 2.88 -0.41 -2.44 113.62 111.82 2jg0 n SER 280 Ca 0.06 -2.56 -0.18 0.00 -1.33 0.00 0.00 58.87 54.87 2jg0 n SER 280 Cb 0.30 -0.41 -0.09 0.00 -0.75 0.00 0.00 64.21 63.26 2jg0 n SER 280 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 2jg0 h TRP 281 N 2.83 -1.30 -0.34 0.66 2.91 -1.01 -1.53 115.95 118.17 2jg0 h TRP 281 Ca -0.12 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.84 2jg0 h TRP 281 Cb 1.21 0.49 -0.02 0.00 -0.51 0.00 0.00 29.16 30.33 2jg0 h TRP 281 CO 0.47 -0.66 -0.06 -0.39 -1.03 0.00 0.00 178.44 176.78 2jg0 h VAL 282 N -1.02 1.22 -0.21 2.65 -1.51 -1.87 -1.95 116.25 113.56 2jg0 h VAL 282 Ca -0.07 -0.92 0.03 0.00 -1.23 0.00 0.00 66.70 64.51 2jg0 h VAL 282 Cb 0.86 1.02 -0.03 0.00 -2.13 0.00 0.00 31.29 31.01 2jg0 h VAL 282 CO -0.00 0.31 0.03 -0.33 -1.23 0.00 0.00 177.57 176.34 2jg0 h GLU 283 N 0.52 0.10 -0.42 5.19 3.07 -1.91 -1.37 114.58 119.75 2jg0 h GLU 283 Ca 0.10 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.84 2jg0 h GLU 283 Cb 0.42 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2jg0 h GLU 283 CO 0.02 0.07 -0.19 -0.44 -1.40 0.00 0.00 179.01 177.07 2jg0 h ASP 284 N 0.11 0.90 -0.66 1.42 3.32 -1.01 0.69 116.42 121.19 2jg0 h ASP 284 Ca 0.09 -0.40 0.04 0.00 0.02 0.00 0.00 57.03 56.79 2jg0 h ASP 284 Cb 0.10 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 2jg0 h ASP 284 CO -0.14 1.10 0.39 0.40 -1.72 0.00 0.00 179.24 179.27 2jg0 h ILE 285 N 0.70 1.02 -0.59 0.35 2.04 -1.26 -1.19 117.51 118.59 2jg0 h ILE 285 Ca 0.10 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2jg0 h ILE 285 Cb 0.75 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2jg0 h ILE 285 CO 0.06 0.13 0.08 0.00 0.00 0.00 0.00 178.15 178.42 2jg0 h ALA 286 N 1.32 0.78 -0.31 1.87 0.00 -0.89 -0.43 119.26 121.59 2jg0 h ALA 286 Ca 0.28 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jg0 h ALA 286 Cb 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2jg0 h ALA 286 CO -0.15 0.55 0.19 1.15 0.00 0.00 0.00 179.25 180.99 2jg0 h THR 287 N 0.88 1.10 -0.43 0.00 2.02 -0.41 -1.90 112.91 114.17 2jg0 h THR 287 Ca 0.18 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 2jg0 h THR 287 Cb 0.45 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2jg0 h THR 287 CO 0.02 0.10 -0.04 0.00 0.37 0.00 0.00 175.52 175.97 2jg0 h ALA 288 N 1.08 0.58 -0.52 6.16 0.00 -1.08 -2.70 119.26 122.78 2jg0 h ALA 288 Ca 0.11 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2jg0 h ALA 288 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2jg0 h ALA 288 CO -0.02 0.40 0.35 -0.22 0.00 0.00 0.00 179.25 179.76 2jg0 h LYS 289 N 0.61 0.50 0.00 0.00 3.64 -0.92 -1.80 116.57 118.60 2jg0 h LYS 289 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2jg0 h LYS 289 Cb 0.54 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2jg0 h LYS 289 CO 0.03 0.33 0.00 -1.13 -2.27 0.00 0.00 179.45 176.41 2jg0 n SER 290 N -4.47 0.00 -3.52 4.20 3.41 -0.73 -4.05 113.62 108.45 2jg0 n SER 290 Ca 0.07 0.46 -0.27 0.00 -0.26 0.00 0.00 58.87 58.87 2jg0 n SER 290 Cb 0.21 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 2jg0 n SER 290 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2jg0 n ASN 291 N -1.48 0.43 0.00 4.04 2.85 -0.68 -4.96 115.26 115.46 2jg0 n ASN 291 Ca 0.05 -2.59 0.05 0.00 -0.11 0.00 0.00 54.58 51.98 2jg0 n ASN 291 Cb 0.20 -0.60 0.23 0.00 1.24 0.00 0.00 39.78 40.85 2jg0 n ASN 291 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2jg0 n PRO 292 N 2.59 0.01 -0.03 1.20 -0.04 -1.26 -2.71 135.00 134.76 2jg0 n PRO 292 Ca 0.27 0.31 0.08 0.00 -0.04 0.00 0.00 63.50 64.12 2jg0 n PRO 292 Cb 0.45 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.80 2jg0 n PRO 292 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2jg0 n ASN 293 N -1.49 0.55 -4.12 3.54 5.03 -1.26 -4.73 115.26 112.77 2jg0 n ASN 293 Ca 0.03 -1.62 -0.19 0.00 0.87 0.00 0.00 54.58 53.66 2jg0 n ASN 293 Cb 0.13 -0.04 -0.13 0.00 -1.02 0.00 0.00 39.78 38.71 2jg0 n ASN 293 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2jg0 s ARG 294 N -1.91 0.89 0.29 3.52 0.52 -1.10 -5.12 118.95 116.04 2jg0 s ARG 294 Ca 0.24 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.46 2jg0 s ARG 294 Cb 0.12 -0.88 -0.11 0.00 0.52 0.00 0.00 34.95 34.60 2jg0 s ARG 294 CO 0.19 0.22 1.55 -2.14 0.02 0.00 0.00 175.30 175.14 2jg0 s PRO 295 N -1.02 4.16 0.25 3.54 0.02 -1.26 -4.89 135.00 135.80 2jg0 s PRO 295 Ca 0.01 2.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.50 2jg0 s PRO 295 Cb -0.07 -3.04 0.37 0.00 0.02 0.00 0.00 34.50 31.78 2jg0 s PRO 295 CO 0.01 -0.58 1.85 0.00 -0.33 0.00 0.00 177.00 177.95 2jg0 h ALA 296 N 4.81 1.23 -0.61 -1.55 0.00 -1.90 -1.56 119.26 119.68 2jg0 h ALA 296 Ca -0.47 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.49 2jg0 h ALA 296 Cb 1.22 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2jg0 h ALA 296 CO 0.78 0.26 0.41 1.79 0.00 0.00 0.00 179.25 182.49 2jg0 h THR 297 N 0.96 1.04 -0.34 0.00 1.35 -1.90 0.94 112.91 114.95 2jg0 h THR 297 Ca 0.40 -0.22 -0.09 0.00 -0.55 0.00 0.00 66.41 65.94 2jg0 h THR 297 Cb 0.23 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 66.97 2jg0 h THR 297 CO -0.20 0.12 -0.13 -0.08 -0.25 0.00 0.00 175.52 174.99 2jg0 h GLU 298 N 0.66 0.68 -0.40 4.72 4.81 -1.61 -0.44 114.58 122.99 2jg0 h GLU 298 Ca 0.26 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2jg0 h GLU 298 Cb 0.19 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2jg0 h GLU 298 CO -0.07 0.87 0.13 0.82 -0.73 0.00 0.00 179.01 180.03 2jg0 h ILE 299 N 0.46 1.21 -0.45 2.32 2.04 -0.99 -1.22 117.51 120.88 2jg0 h ILE 299 Ca 0.08 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 2jg0 h ILE 299 Cb 0.65 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2jg0 h ILE 299 CO 0.04 0.25 0.27 1.88 0.00 0.00 0.00 178.15 180.59 2jg0 h TYR 300 N 0.51 0.59 -0.74 1.37 0.05 -0.74 0.94 116.97 118.94 2jg0 h TYR 300 Ca 0.13 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.00 2jg0 h TYR 300 Cb 0.25 -0.19 -0.07 0.00 1.01 0.00 0.00 36.73 37.72 2jg0 h TYR 300 CO 0.01 0.42 0.39 -0.09 -1.05 0.00 0.00 178.16 177.83 2jg0 h ARG 301 N 0.60 0.64 -0.03 4.88 9.65 -0.93 0.01 114.38 129.20 2jg0 h ARG 301 Ca 0.16 -0.04 -0.19 0.00 -1.10 0.00 0.00 59.98 58.81 2jg0 h ARG 301 Cb 0.00 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 2jg0 h ARG 301 CO -0.03 0.42 -0.80 -0.44 2.80 0.00 0.00 179.97 181.92 2jg0 h ASP 302 N 0.66 0.35 -0.04 -3.80 3.32 -0.61 0.08 116.42 116.39 2jg0 h ASP 302 Ca 0.36 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2jg0 h ASP 302 Cb 0.35 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2jg0 h ASP 302 CO -0.26 1.01 0.01 -0.07 -1.72 0.00 0.00 179.24 178.22 2jg0 h LEU 303 N 0.17 0.05 -1.21 1.55 3.38 -0.56 -0.91 115.31 117.80 2jg0 h LEU 303 Ca -0.04 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2jg0 h LEU 303 Cb 1.39 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 2jg0 h LEU 303 CO 0.13 0.24 0.54 0.03 0.09 0.00 0.00 178.44 179.48 2jg0 h ARG 304 N -0.14 1.02 -0.01 1.13 3.08 -0.91 -1.80 114.38 116.75 2jg0 h ARG 304 Ca 0.01 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 2jg0 h ARG 304 Cb 0.21 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2jg0 h ARG 304 CO -0.00 0.68 -0.78 0.66 -1.07 0.00 0.00 179.97 179.46 2jg0 h SER 305 N 1.05 0.13 -0.44 7.04 4.64 -0.86 -0.47 113.55 124.64 2jg0 h SER 305 Ca 0.32 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.48 2jg0 h SER 305 Cb -0.02 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2jg0 h SER 305 CO -0.09 0.85 0.04 0.00 -0.87 0.00 0.00 176.83 176.76 2jg0 h ALA 306 N 1.14 1.12 -0.81 5.18 0.00 -0.85 -0.70 119.26 124.34 2jg0 h ALA 306 Ca -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jg0 h ALA 306 Cb 1.36 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2jg0 h ALA 306 CO 0.11 0.57 0.50 0.00 0.00 0.00 0.00 179.25 180.43 2jg0 h ALA 307 N 1.27 1.03 0.00 0.00 0.00 -0.60 -1.63 119.26 119.33 2jg0 h ALA 307 Ca 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jg0 h ALA 307 Cb 0.41 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jg0 h ALA 307 CO 0.01 0.48 -0.10 0.00 0.00 0.00 0.00 179.25 179.65 2jg0 h ALA 308 N 1.27 1.72 0.00 0.00 0.00 -0.49 -1.60 119.26 120.16 2jg0 h ALA 308 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jg0 h ALA 308 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jg0 h ALA 308 CO -0.06 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.18 2jg0 n SER 309 N -4.26 0.42 0.00 0.00 3.41 -0.33 -3.37 113.62 109.50 2jg0 n SER 309 Ca -0.03 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2jg0 n SER 309 Cb 0.18 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2jg0 n SER 309 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jg0 n GLY 310 N 0.79 3.08 2.69 5.00 0.00 -0.60 -4.58 105.19 111.58 2jg0 n GLY 310 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2jg0 n GLY 310 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jg0 n TRP 311 N -1.68 2.88 -3.04 1.61 7.02 -1.20 -4.93 117.44 118.10 2jg0 n TRP 311 Ca 0.00 -2.62 -0.44 0.00 -1.02 0.00 0.00 57.50 53.43 2jg0 n TRP 311 Cb 0.00 -1.15 -0.05 0.00 -2.42 0.00 0.00 31.31 27.69 2jg0 n TRP 311 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2jg0 s ASP 312 N -1.45 6.24 0.33 -0.99 -4.77 -1.21 -3.64 116.67 111.18 2jg0 s ASP 312 Ca 0.41 -0.83 0.03 0.00 -3.30 0.00 0.00 52.55 48.86 2jg0 s ASP 312 Cb 0.23 -2.34 -0.05 0.00 -1.09 0.00 0.00 42.92 39.68 2jg0 s ASP 312 CO -0.17 -1.05 0.10 -0.36 0.70 0.00 0.00 175.17 174.39 2jg0 s PHE 313 N 3.10 1.77 -0.12 2.11 0.08 -1.26 -4.75 117.98 118.90 2jg0 s PHE 313 Ca 0.19 -1.16 -0.27 0.00 0.12 0.00 0.00 56.93 55.81 2jg0 s PHE 313 Cb -0.18 -1.10 0.07 0.00 -0.57 0.00 0.00 43.02 41.23 2jg0 s PHE 313 CO 0.13 -0.23 0.66 0.45 -0.10 0.00 0.00 175.22 176.12 2jg0 s SER 314 N -3.47 -0.65 0.62 1.36 0.15 -1.24 -1.47 113.70 109.01 2jg0 s SER 314 Ca 0.33 0.91 0.32 0.00 0.70 0.00 0.00 55.95 58.21 2jg0 s SER 314 Cb 0.06 0.83 1.74 0.00 -1.71 0.00 0.00 66.02 66.95 2jg0 s SER 314 CO 0.15 -0.46 2.06 0.77 1.20 0.00 0.00 173.24 176.96 2jg0 h SER 315 N 3.80 0.00 -0.98 5.45 4.64 -1.88 -2.04 113.55 122.54 2jg0 h SER 315 Ca -0.28 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.29 2jg0 h SER 315 Cb 1.15 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 2jg0 h SER 315 CO 0.28 0.00 0.66 -0.09 -0.87 0.00 0.00 176.83 176.80 2jg0 h ARG 316 N 0.00 0.30 -0.02 4.77 2.43 -1.94 -1.39 114.38 118.52 2jg0 h ARG 316 Ca 0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2jg0 h ARG 316 Cb 0.56 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2jg0 h ARG 316 CO -0.00 0.20 -0.19 0.91 -1.51 0.00 0.00 179.97 179.38 2jg0 n TRP 317 N -4.49 0.00 -4.84 2.20 5.03 -0.77 -5.00 117.44 109.57 2jg0 n TRP 317 Ca 0.22 0.00 -0.33 0.00 3.03 0.00 0.00 57.50 60.42 2jg0 n TRP 317 Cb 0.86 -0.00 -0.13 0.00 -1.03 0.00 0.00 31.31 31.01 2jg0 n TRP 317 CO 0.00 0.00 0.00 -1.64 -0.03 0.00 0.00 177.69 176.02 2jg0 s MET 318 N -2.20 2.57 0.14 -0.99 -1.94 -0.53 -0.58 119.30 115.79 2jg0 s MET 318 Ca 0.25 -0.67 -0.12 0.00 -1.71 0.00 0.00 55.69 53.43 2jg0 s MET 318 Cb 0.19 -2.42 0.00 0.00 2.01 0.00 0.00 34.83 34.61 2jg0 s MET 318 CO 0.41 0.62 1.57 -0.44 -0.01 0.00 0.00 175.02 177.17 2jg0 h ASP 319 N 5.37 0.85 -3.71 3.03 5.19 -1.83 -3.40 116.42 121.92 2jg0 h ASP 319 Ca -0.46 -0.34 -0.68 0.00 -0.62 0.00 0.00 57.03 54.93 2jg0 h ASP 319 Cb 1.16 -0.23 -0.34 0.00 0.18 0.00 0.00 39.33 40.10 2jg0 h ASP 319 CO 0.51 0.99 -0.75 0.21 -3.12 0.00 0.00 179.24 177.08 2jg0 s ASN 320 N -6.42 4.54 0.56 6.45 3.84 -1.26 -5.00 114.94 117.65 2jg0 s ASN 320 Ca -0.12 -1.20 0.37 0.00 0.21 0.00 0.00 52.86 52.13 2jg0 s ASN 320 Cb 0.11 -1.64 1.91 0.00 -0.55 0.00 0.00 41.25 41.08 2jg0 s ASN 320 CO 0.83 -0.20 2.13 1.55 -2.79 0.00 0.00 177.10 178.62 2jg0 h PRO 321 N 7.93 0.00 -0.13 0.43 0.13 -1.90 -1.19 132.00 137.27 2jg0 h PRO 321 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2jg0 h PRO 321 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jg0 h PRO 321 CO 0.52 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.33 2jg0 n GLN 322 N -2.90 2.00 -3.63 0.86 1.13 -1.26 -4.71 117.38 108.86 2jg0 n GLN 322 Ca -0.02 -1.48 -0.29 0.00 -1.94 0.00 0.00 57.00 53.27 2jg0 n GLN 322 Cb 0.13 -1.46 -0.15 0.00 0.11 0.00 0.00 30.24 28.87 2jg0 n GLN 322 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2jg0 s GLN 323 N -1.84 0.45 0.52 -1.09 -1.52 -0.45 -4.98 119.66 110.75 2jg0 s GLN 323 Ca 0.34 -0.81 0.28 0.00 -1.95 0.00 0.00 55.36 53.22 2jg0 s GLN 323 Cb 0.20 -1.57 1.42 0.00 -0.22 0.00 0.00 33.01 32.84 2jg0 s GLN 323 CO 0.30 -1.01 1.91 1.25 -0.25 0.00 0.00 175.29 177.50 2jg0 h LEU 324 N 8.22 0.05 0.00 2.90 5.85 -1.85 -0.70 115.31 129.78 2jg0 h LEU 324 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2jg0 h LEU 324 Cb 1.01 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2jg0 h LEU 324 CO 0.45 0.02 0.00 -0.46 -0.34 0.00 0.00 178.44 178.11 2jg0 n ASN 325 N -4.32 0.00 -1.31 1.25 0.23 -1.26 -1.27 115.26 108.57 2jg0 n ASN 325 Ca 0.16 -0.15 0.11 0.00 -0.53 0.00 0.00 54.58 54.17 2jg0 n ASN 325 Cb 0.84 -0.12 0.31 0.00 -2.08 0.00 0.00 39.78 38.73 2jg0 n ASN 325 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2jg0 n THR 326 N -1.12 0.98 -2.39 5.53 -2.24 -0.27 -4.94 114.28 109.83 2jg0 n THR 326 Ca 0.07 -0.99 -0.37 0.00 -2.27 0.00 0.00 64.05 60.49 2jg0 n THR 326 Cb 0.06 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 2jg0 n THR 326 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2jg0 s LEU 327 N -1.02 4.16 -0.33 3.22 2.34 -0.40 -3.03 118.68 123.62 2jg0 s LEU 327 Ca 0.47 2.22 0.17 0.00 0.06 0.00 0.00 54.13 57.05 2jg0 s LEU 327 Cb 0.25 -4.11 0.45 0.00 -0.56 0.00 0.00 46.19 42.22 2jg0 s LEU 327 CO 0.32 -0.63 0.97 -2.11 -1.06 0.00 0.00 176.35 173.85 2jg0 n ARG 328 N -0.03 1.13 -0.29 1.48 1.85 0.26 -4.89 116.66 116.17 2jg0 n ARG 328 Ca 0.05 -3.12 0.11 0.00 -1.00 0.00 0.00 57.85 53.89 2jg0 n ARG 328 Cb 0.48 -1.16 0.26 0.00 -1.05 0.00 0.00 32.46 30.99 2jg0 n ARG 328 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2jg0 h THR 329 N 2.77 0.47 0.00 8.89 2.02 -1.79 -0.57 112.91 124.71 2jg0 h THR 329 Ca -0.10 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2jg0 h THR 329 Cb 1.18 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2jg0 h THR 329 CO 0.44 0.06 0.00 0.35 0.37 0.00 0.00 175.52 176.75 2jg0 n THR 330 N -5.10 0.22 -0.13 3.16 -2.24 -1.26 -2.02 114.28 106.91 2jg0 n THR 330 Ca 0.19 0.06 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 2jg0 n THR 330 Cb 0.59 -0.67 0.26 0.00 -2.10 0.00 0.00 70.33 68.42 2jg0 n THR 330 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jg0 n SER 331 N -1.25 3.60 -4.16 3.42 3.41 -0.22 -4.92 113.62 113.49 2jg0 n SER 331 Ca 0.12 -1.98 -0.32 0.00 -0.26 0.00 0.00 58.87 56.43 2jg0 n SER 331 Cb 0.18 -0.37 -0.17 0.00 -0.26 0.00 0.00 64.21 63.59 2jg0 n SER 331 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2jg0 s ILE 332 N -1.13 2.00 -0.46 -1.33 1.01 -0.85 -0.92 121.20 119.52 2jg0 s ILE 332 Ca 0.41 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 2jg0 s ILE 332 Cb 0.22 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.96 2jg0 s ILE 332 CO 0.29 0.54 0.71 -0.69 0.00 0.00 0.00 174.94 175.79 2jg0 s VAL 333 N 0.77 4.74 0.22 2.92 1.01 0.73 -4.66 120.40 126.14 2jg0 s VAL 333 Ca -0.09 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 2jg0 s VAL 333 Cb -0.16 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.86 2jg0 s VAL 333 CO -0.00 -0.70 0.91 -2.84 0.00 0.00 0.00 175.10 172.47 2jg0 s PRO 334 N 3.03 4.81 0.20 2.72 0.02 -1.26 -1.47 135.00 143.06 2jg0 s PRO 334 Ca 0.25 1.44 0.04 0.00 0.02 0.00 0.00 61.00 62.74 2jg0 s PRO 334 Cb -0.14 -3.28 0.12 0.00 0.02 0.00 0.00 34.50 31.22 2jg0 s PRO 334 CO 0.19 0.52 1.46 -0.24 -0.33 0.00 0.00 177.00 178.61 2jg0 h VAL 335 N 3.20 1.45 0.06 3.83 3.04 -1.90 -2.32 116.25 123.60 2jg0 h VAL 335 Ca -0.45 -2.33 -0.00 0.00 -1.01 0.00 0.00 66.70 62.90 2jg0 h VAL 335 Cb 1.20 2.26 0.00 0.00 -2.01 0.00 0.00 31.29 32.74 2jg0 h VAL 335 CO 0.68 0.68 -0.03 -2.24 -1.01 0.00 0.00 177.57 175.65 2jg0 h ASP 336 N 0.13 -0.07 -0.39 3.17 3.04 -1.93 -1.88 116.42 118.49 2jg0 h ASP 336 Ca -0.03 -0.34 0.07 0.00 -3.24 0.00 0.00 57.03 53.49 2jg0 h ASP 336 Cb 1.32 0.02 -0.06 0.00 -1.04 0.00 0.00 39.33 39.57 2jg0 h ASP 336 CO 0.11 0.31 0.03 0.25 -2.04 0.00 0.00 179.24 177.91 2jg0 h LEU 337 N -0.45 -0.09 -0.94 0.15 6.46 -1.94 -0.05 115.31 118.45 2jg0 h LEU 337 Ca -0.01 0.08 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 2jg0 h LEU 337 Cb 0.40 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 2jg0 h LEU 337 CO 0.01 -0.01 -0.39 0.78 -0.62 0.00 0.00 178.44 178.21 2jg0 h ASN 338 N 0.15 0.00 -0.47 1.25 2.35 -1.44 0.49 115.58 117.91 2jg0 h ASN 338 Ca 0.19 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 2jg0 h ASN 338 Cb 0.26 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2jg0 h ASN 338 CO -0.29 0.39 0.10 0.28 -1.65 0.00 0.00 177.43 176.26 2jg0 h SER 339 N 0.00 0.72 -0.43 5.81 0.02 -0.61 -1.78 113.55 117.29 2jg0 h SER 339 Ca -0.00 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.63 2jg0 h SER 339 Cb 0.90 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 2jg0 h SER 339 CO 0.05 0.78 0.02 -0.07 -1.14 0.00 0.00 176.83 176.46 2jg0 h LEU 340 N 0.64 0.79 -0.77 5.07 3.38 -0.33 -1.08 115.31 123.00 2jg0 h LEU 340 Ca 0.15 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2jg0 h LEU 340 Cb 0.34 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2jg0 h LEU 340 CO 0.00 0.85 0.25 0.24 0.09 0.00 0.00 178.44 179.87 2jg0 h MET 341 N 0.77 1.17 -0.13 1.13 2.86 -0.80 0.10 114.93 120.02 2jg0 h MET 341 Ca 0.15 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2jg0 h MET 341 Cb 0.44 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2jg0 h MET 341 CO 0.02 0.98 0.00 0.35 1.06 0.00 0.00 176.91 179.32 2jg0 h PHE 342 N 1.12 0.00 -0.91 -0.22 3.57 -1.00 -0.18 116.94 119.33 2jg0 h PHE 342 Ca 0.25 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2jg0 h PHE 342 Cb 0.29 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2jg0 h PHE 342 CO 0.02 -0.01 0.53 -0.22 -2.23 0.00 0.00 178.31 176.41 2jg0 h LYS 343 N 0.05 1.24 -0.37 1.11 1.63 -0.92 -0.48 116.57 118.83 2jg0 h LYS 343 Ca 0.06 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2jg0 h LYS 343 Cb 0.07 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 2jg0 h LYS 343 CO -0.10 0.88 0.24 1.98 -3.45 0.00 0.00 179.45 179.00 2jg0 h MET 344 N 1.26 0.49 -0.78 1.90 4.05 -0.23 0.56 114.93 122.18 2jg0 h MET 344 Ca 0.32 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.69 2jg0 h MET 344 Cb -0.03 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 2jg0 h MET 344 CO -0.06 0.34 0.39 0.93 0.23 0.00 0.00 176.91 178.74 2jg0 h GLU 345 N 0.50 1.11 -0.61 0.39 5.08 -0.54 0.14 114.58 120.65 2jg0 h GLU 345 Ca 0.14 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2jg0 h GLU 345 Cb -0.04 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 2jg0 h GLU 345 CO -0.03 0.85 0.05 0.87 -1.00 0.00 0.00 179.01 179.75 2jg0 h LYS 346 N 1.09 1.04 -0.27 2.33 1.79 -0.70 -1.17 116.57 120.68 2jg0 h LYS 346 Ca 0.27 -0.30 -0.19 0.00 -2.18 0.00 0.00 60.65 58.26 2jg0 h LYS 346 Cb 0.10 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2jg0 h LYS 346 CO -0.04 0.98 -0.56 0.82 -1.08 0.00 0.00 179.45 179.57 2jg0 h ILE 347 N 0.96 1.28 -0.89 1.86 2.04 -0.54 -1.36 117.51 120.87 2jg0 h ILE 347 Ca 0.18 -1.76 0.04 0.00 1.00 0.00 0.00 64.86 64.32 2jg0 h ILE 347 Cb 0.49 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 2jg0 h ILE 347 CO 0.02 0.57 0.57 -0.07 0.00 0.00 0.00 178.15 179.24 2jg0 h LEU 348 N 0.63 0.94 -0.14 1.44 3.38 -0.57 0.88 115.31 121.88 2jg0 h LEU 348 Ca 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jg0 h LEU 348 Cb 1.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2jg0 h LEU 348 CO 0.12 0.64 0.09 0.00 0.09 0.00 0.00 178.44 179.38 2jg0 h ALA 349 N 1.37 0.18 -0.66 1.53 0.00 -0.97 -0.55 119.26 120.16 2jg0 h ALA 349 Ca 0.36 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2jg0 h ALA 349 Cb 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2jg0 h ALA 349 CO -0.12 -0.32 0.40 -0.09 0.00 0.00 0.00 179.25 179.12 2jg0 h ARG 350 N 0.17 0.90 -0.36 0.00 2.43 -0.72 -0.46 114.38 116.33 2jg0 h ARG 350 Ca 0.05 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 2jg0 h ARG 350 Cb 0.01 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2jg0 h ARG 350 CO -0.01 0.64 -0.23 0.00 -1.51 0.00 0.00 179.97 178.86 2jg0 h ALA 351 N 1.21 0.51 -0.57 2.80 0.00 -0.72 -0.96 119.26 121.53 2jg0 h ALA 351 Ca 0.24 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2jg0 h ALA 351 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2jg0 h ALA 351 CO -0.05 0.48 0.06 0.66 0.00 0.00 0.00 179.25 180.41 2jg0 h SER 352 N 0.57 0.94 -0.43 0.00 4.64 -0.77 0.42 113.55 118.92 2jg0 h SER 352 Ca 0.07 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 2jg0 h SER 352 Cb 0.79 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 2jg0 h SER 352 CO 0.06 0.98 0.22 0.50 -0.87 0.00 0.00 176.83 177.72 2jg0 h LYS 353 N 0.86 0.62 -0.81 4.77 1.63 -0.97 -0.80 116.57 121.87 2jg0 h LYS 353 Ca 0.17 -0.09 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2jg0 h LYS 353 Cb 0.46 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 2jg0 h LYS 353 CO 0.02 0.52 0.53 0.00 -3.45 0.00 0.00 179.45 177.07 2jg0 h ALA 354 N 1.06 1.44 0.00 5.00 0.00 -0.73 -1.87 119.26 124.16 2jg0 h ALA 354 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jg0 h ALA 354 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2jg0 h ALA 354 CO -0.02 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2jg0 h ALA 355 N 1.50 1.00 0.00 0.00 0.00 -0.43 -3.47 119.26 117.86 2jg0 h ALA 355 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jg0 h ALA 355 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jg0 h ALA 355 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2jg0 n GLY 356 N 0.28 0.93 3.37 0.00 0.00 -0.68 -5.04 105.19 104.04 2jg0 n GLY 356 Ca 0.02 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2jg0 n GLY 356 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jg0 s ASP 357 N -2.02 7.07 0.28 1.61 -1.08 -0.39 -4.90 116.67 117.24 2jg0 s ASP 357 Ca 0.00 -3.12 0.04 0.00 -0.52 0.00 0.00 52.55 48.95 2jg0 s ASP 357 Cb 0.00 -2.26 0.41 0.00 -1.46 0.00 0.00 42.92 39.61 2jg0 s ASP 357 CO 0.00 -0.50 1.69 0.78 0.52 0.00 0.00 175.17 177.65 2jg0 h ASN 358 N 7.24 0.36 -0.60 -0.34 -0.26 -1.91 -0.77 115.58 119.29 2jg0 h ASN 358 Ca 0.18 -0.15 -0.10 0.00 -0.56 0.00 0.00 56.30 55.67 2jg0 h ASN 358 Cb 0.93 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 38.07 2jg0 h ASN 358 CO 0.98 0.71 -0.01 0.00 -1.06 0.00 0.00 177.43 178.05 2jg0 h ALA 359 N 1.31 0.83 0.17 -0.83 0.00 -1.96 -0.97 119.26 117.81 2jg0 h ALA 359 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jg0 h ALA 359 Cb 0.80 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jg0 h ALA 359 CO 0.06 0.67 -0.17 1.98 0.00 0.00 0.00 179.25 181.80 2jg0 h MET 360 N 0.98 -0.36 -0.52 0.00 -1.53 -1.89 -2.13 114.93 109.47 2jg0 h MET 360 Ca 0.17 0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.48 2jg0 h MET 360 Cb 0.58 0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.67 2jg0 h MET 360 CO 0.03 -0.24 0.31 0.00 0.14 0.00 0.00 176.91 177.15 2jg0 h ALA 361 N 0.41 0.67 -0.55 0.39 0.00 -0.85 -0.39 119.26 118.94 2jg0 h ALA 361 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jg0 h ALA 361 Cb 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2jg0 h ALA 361 CO -0.04 0.01 0.25 -0.91 0.00 0.00 0.00 179.25 178.56 2jg0 h ASN 362 N 0.61 0.74 -0.18 0.00 2.35 -1.18 -0.87 115.58 117.05 2jg0 h ASN 362 Ca 0.21 -0.14 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2jg0 h ASN 362 Cb 0.03 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 2jg0 h ASN 362 CO -0.10 0.68 -0.05 1.56 -1.65 0.00 0.00 177.43 177.87 2jg0 h GLN 363 N 0.75 -0.01 -0.49 0.81 4.20 -0.87 -0.73 115.11 118.77 2jg0 h GLN 363 Ca 0.19 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.81 2jg0 h GLN 363 Cb 0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2jg0 h GLN 363 CO -0.02 -0.01 -0.06 1.88 -0.67 0.00 0.00 178.83 179.95 2jg0 h TYR 364 N -0.01 0.95 -0.82 2.96 0.05 -0.75 -0.87 116.97 118.48 2jg0 h TYR 364 Ca 0.09 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.68 2jg0 h TYR 364 Cb 0.14 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.60 2jg0 h TYR 364 CO -0.21 0.89 0.42 0.93 -1.05 0.00 0.00 178.16 179.14 2jg0 h GLU 365 N 0.79 1.16 -0.53 4.88 4.39 -0.88 0.70 114.58 125.08 2jg0 h GLU 365 Ca 0.14 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2jg0 h GLU 365 Cb 0.57 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2jg0 h GLU 365 CO 0.03 0.87 0.23 1.15 -1.16 0.00 0.00 179.01 180.14 2jg0 h THR 366 N 1.16 1.21 -0.38 1.13 2.02 -0.66 0.52 112.91 117.90 2jg0 h THR 366 Ca 0.28 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 2jg0 h THR 366 Cb 0.08 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2jg0 h THR 366 CO -0.04 0.24 0.22 -0.07 0.37 0.00 0.00 175.52 176.25 2jg0 h LEU 367 N 0.71 0.46 -0.62 2.58 3.38 -0.79 -2.02 115.31 119.02 2jg0 h LEU 367 Ca 0.18 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2jg0 h LEU 367 Cb 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2jg0 h LEU 367 CO -0.02 0.39 0.41 0.00 0.09 0.00 0.00 178.44 179.32 2jg0 h ALA 368 N 1.09 0.79 -0.83 1.53 0.00 -0.59 -0.77 119.26 120.47 2jg0 h ALA 368 Ca 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2jg0 h ALA 368 Cb 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2jg0 h ALA 368 CO -0.02 0.23 0.55 -0.91 0.00 0.00 0.00 179.25 179.09 2jg0 h ASN 369 N 0.85 0.96 -0.67 0.00 2.35 -0.64 0.41 115.58 118.83 2jg0 h ASN 369 Ca 0.23 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2jg0 h ASN 369 Cb -0.09 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.01 2jg0 h ASN 369 CO -0.05 0.70 0.35 0.00 -1.65 0.00 0.00 177.43 176.78 2jg0 h ALA 370 N 1.30 0.87 -0.31 -0.83 0.00 -0.91 -1.94 119.26 117.44 2jg0 h ALA 370 Ca 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2jg0 h ALA 370 Cb -0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 2jg0 h ALA 370 CO -0.07 0.40 0.15 -0.09 0.00 0.00 0.00 179.25 179.65 2jg0 h ARG 371 N 0.93 0.44 -0.72 0.00 9.65 -0.65 -0.90 114.38 123.13 2jg0 h ARG 371 Ca 0.24 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.06 2jg0 h ARG 371 Cb 0.07 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 2jg0 h ARG 371 CO -0.03 0.40 0.48 0.37 2.80 0.00 0.00 179.97 183.98 2jg0 h GLN 372 N 0.37 0.94 -0.79 0.20 4.15 -0.75 0.11 115.11 119.33 2jg0 h GLN 372 Ca 0.11 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.48 2jg0 h GLN 372 Cb 0.10 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 2jg0 h GLN 372 CO -0.01 0.62 0.52 -0.22 -1.93 0.00 0.00 178.83 177.81 2jg0 h LYS 373 N 0.97 1.04 -0.42 1.69 3.64 -1.00 -0.83 116.57 121.66 2jg0 h LYS 373 Ca 0.27 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2jg0 h LYS 373 Cb -0.10 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.47 2jg0 h LYS 373 CO -0.06 0.69 0.20 0.78 -2.27 0.00 0.00 179.45 178.78 2jg0 h GLY 374 N 1.07 0.65 0.77 5.01 0.00 -0.24 -1.24 103.07 109.09 2jg0 h GLY 374 Ca 0.29 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.32 2jg0 h GLY 374 CO -0.06 0.31 0.14 -2.22 0.00 0.00 0.00 176.54 174.71 2jg0 h ILE 375 N 0.54 0.94 0.00 2.60 2.04 -0.52 0.64 117.51 123.75 2jg0 h ILE 375 Ca 0.14 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 2jg0 h ILE 375 Cb 0.13 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2jg0 h ILE 375 CO -0.02 0.06 -0.37 -0.33 0.00 0.00 0.00 178.15 177.49 2jg0 h GLU 376 N 0.30 0.00 0.08 2.37 4.39 -0.95 -0.82 114.58 119.96 2jg0 h GLU 376 Ca 0.15 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.63 2jg0 h GLU 376 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2jg0 h GLU 376 CO -0.13 0.37 -1.12 -0.22 -1.16 0.00 0.00 179.01 176.75 2jg0 h LYS 377 N 0.00 0.17 0.00 2.33 3.64 -1.02 -3.39 116.57 118.31 2jg0 h LYS 377 Ca -0.00 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2jg0 h LYS 377 Cb 0.69 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2jg0 h LYS 377 CO 0.05 1.14 -0.80 0.66 -2.27 0.00 0.00 179.45 178.23 2jg0 n TYR 378 N -4.13 0.00 -1.01 1.91 4.01 0.20 -4.52 117.16 113.62 2jg0 n TYR 378 Ca -0.23 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.60 2jg0 n TYR 378 Cb 0.80 -0.04 0.12 0.00 -0.31 0.00 0.00 39.34 39.90 2jg0 n TYR 378 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2jg0 n LEU 379 N -1.42 2.20 -4.19 7.72 4.77 -0.31 -4.32 117.00 121.44 2jg0 n LEU 379 Ca 0.02 -2.88 -0.33 0.00 -0.03 0.00 0.00 56.01 52.80 2jg0 n LEU 379 Cb 0.24 -0.37 -0.16 0.00 -2.33 0.00 0.00 43.42 40.80 2jg0 n LEU 379 CO 0.29 0.67 -0.52 0.86 -1.33 0.00 0.00 177.39 177.35 2jg0 s TRP 380 N -2.55 2.71 -0.52 -1.77 -0.11 -1.21 -0.90 118.94 114.58 2jg0 s TRP 380 Ca 0.27 -1.29 -0.19 0.00 1.22 0.00 0.00 56.10 56.11 2jg0 s TRP 380 Cb 0.24 -1.85 0.06 0.00 -1.50 0.00 0.00 33.47 30.42 2jg0 s TRP 380 CO 0.03 -0.59 0.66 1.21 -4.62 0.00 0.00 176.95 173.63 2jg0 s ASN 381 N 0.87 6.22 0.28 5.86 3.84 0.84 -4.91 114.94 127.94 2jg0 s ASN 381 Ca -0.05 -0.94 0.15 0.00 0.21 0.00 0.00 52.86 52.23 2jg0 s ASN 381 Cb -0.15 -2.30 0.12 0.00 -0.55 0.00 0.00 41.25 38.37 2jg0 s ASN 381 CO -0.02 -0.94 1.47 -0.78 -2.79 0.00 0.00 177.10 174.03 2jg0 h ASP 382 N 9.04 0.00 -0.36 -4.21 3.58 -1.97 0.13 116.42 122.63 2jg0 h ASP 382 Ca -0.28 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.15 2jg0 h ASP 382 Cb 1.09 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 2jg0 h ASP 382 CO 0.99 0.53 0.13 -0.61 -2.88 0.00 0.00 179.24 177.40 2jg0 h GLN 383 N 0.00 0.55 0.00 0.28 4.15 -1.95 -3.27 115.11 114.87 2jg0 h GLN 383 Ca -0.01 -0.11 -0.14 0.00 0.77 0.00 0.00 58.65 59.17 2jg0 h GLN 383 Cb 1.36 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.94 2jg0 h GLN 383 CO 0.07 0.55 -1.37 1.04 -1.93 0.00 0.00 178.83 177.19 2jg0 n GLN 384 N -4.66 0.62 -1.88 1.69 1.13 -1.21 -5.00 117.38 108.07 2jg0 n GLN 384 Ca -0.01 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 2jg0 n GLN 384 Cb 0.16 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 28.71 2jg0 n GLN 384 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jg0 n GLY 385 N 1.36 0.96 3.31 1.08 0.00 0.43 -5.08 105.19 107.25 2jg0 n GLY 385 Ca -0.08 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 2jg0 n GLY 385 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jg0 s TRP 386 N -2.73 -0.20 0.64 1.61 -2.14 -0.97 -4.58 118.94 110.57 2jg0 s TRP 386 Ca 0.00 -0.07 -0.17 0.00 2.66 0.00 0.00 56.10 58.52 2jg0 s TRP 386 Cb 0.00 0.23 -0.01 0.00 -3.10 0.00 0.00 33.47 30.59 2jg0 s TRP 386 CO 0.00 -0.66 1.18 0.71 -2.66 0.00 0.00 176.95 175.52 2jg0 s TYR 387 N -3.52 2.38 0.13 1.66 2.02 -1.26 -0.11 117.35 118.65 2jg0 s TYR 387 Ca 0.01 1.55 -0.25 0.00 -0.37 0.00 0.00 57.07 58.01 2jg0 s TYR 387 Cb 0.01 -3.39 0.07 0.00 -0.40 0.00 0.00 41.96 38.25 2jg0 s TYR 387 CO -0.10 -2.14 0.88 0.00 -1.57 0.00 0.00 175.55 172.62 2jg0 s ALA 388 N -1.87 -1.63 0.68 3.71 0.00 -0.08 -4.59 121.76 117.98 2jg0 s ALA 388 Ca 0.74 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 2jg0 s ALA 388 Cb -0.27 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2jg0 s ALA 388 CO 0.37 -0.93 1.06 -0.51 0.00 0.00 0.00 175.76 175.75 2jg0 s ASP 389 N -2.81 5.54 -0.06 0.00 1.01 -1.26 -4.38 116.67 114.72 2jg0 s ASP 389 Ca 0.09 1.50 0.00 0.00 0.71 0.00 0.00 52.55 54.86 2jg0 s ASP 389 Cb -0.02 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 2jg0 s ASP 389 CO -0.01 -1.32 -0.03 -0.47 0.21 0.00 0.00 175.17 173.55 2jg0 s TYR 390 N -3.11 3.05 -0.35 4.23 5.04 -0.54 -0.43 117.35 125.24 2jg0 s TYR 390 Ca 0.57 0.10 -0.11 0.00 -2.44 0.00 0.00 57.07 55.19 2jg0 s TYR 390 Cb -0.13 -1.72 0.01 0.00 0.35 0.00 0.00 41.96 40.46 2jg0 s TYR 390 CO 0.54 0.42 0.20 0.34 -1.34 0.00 0.00 175.55 175.71 2jg0 s ASP 391 N -1.04 5.77 0.12 4.32 -1.08 0.18 -0.19 116.67 124.75 2jg0 s ASP 391 Ca 0.15 -0.72 0.25 0.00 -0.52 0.00 0.00 52.55 51.71 2jg0 s ASP 391 Cb -0.11 -2.05 0.96 0.00 -1.46 0.00 0.00 42.92 40.26 2jg0 s ASP 391 CO 0.04 -0.30 1.78 0.18 0.52 0.00 0.00 175.17 177.39 2jg0 n LEU 392 N 5.03 0.41 -0.07 -1.34 4.77 -0.10 -0.48 117.00 125.23 2jg0 n LEU 392 Ca -0.13 0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 2jg0 n LEU 392 Cb 0.48 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 2jg0 n LEU 392 CO 0.36 -0.18 0.22 0.11 -1.33 0.00 0.00 177.39 176.57 2jg0 h LYS 393 N 0.00 0.00 0.00 3.23 1.57 -1.93 -3.37 116.57 116.07 2jg0 h LYS 393 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jg0 h LYS 393 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2jg0 h LYS 393 CO 0.00 0.80 -0.50 -1.13 -0.57 0.00 0.00 179.45 178.04 2jg0 n SER 394 N -4.63 0.53 -3.67 0.86 3.41 -1.23 -4.97 113.62 103.92 2jg0 n SER 394 Ca -0.10 -0.04 -0.22 0.00 -0.26 0.00 0.00 58.87 58.25 2jg0 n SER 394 Cb 0.41 0.15 0.05 0.00 -0.26 0.00 0.00 64.21 64.55 2jg0 n SER 394 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2jg0 n HIS 395 N -1.74 -2.10 -3.91 7.33 8.25 0.37 -5.00 115.22 118.42 2jg0 n HIS 395 Ca 0.05 0.88 -0.10 0.00 -0.26 0.00 0.00 57.72 58.29 2jg0 n HIS 395 Cb 0.38 -4.53 -0.10 0.00 1.12 0.00 0.00 29.99 26.86 2jg0 n HIS 395 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2jg0 s LYS 396 N -5.97 0.46 0.25 -0.41 1.02 -1.12 -4.98 119.74 108.99 2jg0 s LYS 396 Ca 0.14 -0.52 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 2jg0 s LYS 396 Cb -0.07 0.18 -0.10 0.00 -0.52 0.00 0.00 37.83 37.33 2jg0 s LYS 396 CO 0.79 -0.10 1.39 0.14 -0.92 0.00 0.00 175.35 176.65 2jg0 s VAL 397 N -1.62 2.78 0.70 3.17 -7.23 -1.26 -0.65 120.40 116.29 2jg0 s VAL 397 Ca -0.13 0.67 -0.13 0.00 -1.81 0.00 0.00 61.98 60.58 2jg0 s VAL 397 Cb -0.07 -3.43 0.02 0.00 0.56 0.00 0.00 36.38 33.46 2jg0 s VAL 397 CO -0.00 0.11 1.09 -0.13 -0.31 0.00 0.00 175.10 175.86 2jg0 s ARG 398 N -0.55 2.67 0.02 4.82 0.52 0.43 -4.86 118.95 122.00 2jg0 s ARG 398 Ca 0.57 1.21 -0.10 0.00 -0.52 0.00 0.00 55.73 56.89 2jg0 s ARG 398 Cb -0.40 -1.95 -0.32 0.00 0.52 0.00 0.00 34.95 32.81 2jg0 s ARG 398 CO 0.44 -1.33 0.95 -0.97 0.02 0.00 0.00 175.30 174.41 2jg0 h ASN 399 N -0.51 0.62 -3.23 0.23 -1.24 -1.94 -3.43 115.58 106.07 2jg0 h ASN 399 Ca -0.45 -0.73 -0.53 0.00 0.71 0.00 0.00 56.30 55.31 2jg0 h ASN 399 Cb 1.23 -0.20 0.04 0.00 0.73 0.00 0.00 38.32 40.12 2jg0 h ASN 399 CO 0.54 1.59 0.75 -1.58 -1.29 0.00 0.00 177.43 177.43 2jg0 s GLN 400 N -2.61 4.30 -0.16 6.67 0.74 -1.26 -4.98 119.66 122.35 2jg0 s GLN 400 Ca -0.09 2.22 -0.23 0.00 0.05 0.00 0.00 55.36 57.31 2jg0 s GLN 400 Cb 0.06 -3.16 -0.02 0.00 1.10 0.00 0.00 33.01 30.98 2jg0 s GLN 400 CO 0.90 -0.41 0.71 -1.17 -0.55 0.00 0.00 175.29 174.76 2jg0 s LEU 401 N 0.16 4.19 0.27 3.68 2.96 -1.26 -4.75 118.68 123.93 2jg0 s LEU 401 Ca 0.61 1.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.56 2jg0 s LEU 401 Cb -0.40 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 2jg0 s LEU 401 CO 0.38 -0.27 0.10 0.42 -1.32 0.00 0.00 176.35 175.65 2jg0 s THR 402 N 1.71 0.62 0.20 3.68 -4.23 -1.26 -4.37 115.64 112.00 2jg0 s THR 402 Ca 0.34 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.18 2jg0 s THR 402 Cb -0.16 -2.65 0.35 0.00 1.34 0.00 0.00 72.50 71.37 2jg0 s THR 402 CO 0.13 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.23 2jg0 h ALA 403 N 2.34 1.00 -0.01 3.99 0.00 -1.19 -1.17 119.26 124.21 2jg0 h ALA 403 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2jg0 h ALA 403 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2jg0 h ALA 403 CO 0.61 0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.88 2jg0 h ALA 404 N 2.03 1.49 0.00 0.00 0.00 -1.96 -2.50 119.26 118.32 2jg0 h ALA 404 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jg0 h ALA 404 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jg0 h ALA 404 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2jg0 h ALA 405 N 1.98 1.00 0.00 0.00 0.00 -1.46 -1.46 119.26 119.32 2jg0 h ALA 405 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jg0 h ALA 405 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jg0 h ALA 405 CO -0.00 0.00 -0.35 1.28 0.00 0.00 0.00 179.25 180.18 2jg0 n LEU 406 N -2.36 0.53 -0.35 0.00 7.99 -0.94 -4.27 117.00 117.59 2jg0 n LEU 406 Ca -0.02 0.29 -0.00 0.00 -0.01 0.00 0.00 56.01 56.27 2jg0 n LEU 406 Cb 0.04 -0.29 0.13 0.00 -0.11 0.00 0.00 43.42 43.20 2jg0 n LEU 406 CO 0.11 -0.02 1.26 -0.26 -1.51 0.00 0.00 177.39 176.97 2jg0 h PHE 407 N 0.00 1.17 -0.13 -1.77 -1.00 -1.46 -1.13 116.94 112.61 2jg0 h PHE 407 Ca 0.00 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.85 2jg0 h PHE 407 Cb 0.63 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 2jg0 h PHE 407 CO 0.00 0.67 0.11 -1.35 -1.61 0.00 0.00 178.31 176.13 2jg0 h PRO 408 N 1.21 0.00 0.02 1.51 0.11 -1.79 -1.67 132.00 131.38 2jg0 h PRO 408 Ca 0.38 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.34 2jg0 h PRO 408 Cb 0.01 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.13 2jg0 h PRO 408 CO -0.12 0.00 -0.62 -0.07 -0.21 0.00 0.00 178.00 176.97 2jg0 h LEU 409 N 0.00 0.52 -1.27 2.35 4.07 -1.53 -0.04 115.31 119.41 2jg0 h LEU 409 Ca 0.06 -0.78 0.15 0.00 0.08 0.00 0.00 57.88 57.38 2jg0 h LEU 409 Cb 0.29 -0.16 -0.07 0.00 1.08 0.00 0.00 40.66 41.80 2jg0 h LEU 409 CO -0.00 1.24 0.58 0.22 -1.08 0.00 0.00 178.44 179.40 2jg0 h TYR 410 N -0.15 0.84 -0.47 1.13 3.20 -0.44 -2.07 116.97 119.02 2jg0 h TYR 410 Ca -0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2jg0 h TYR 410 Cb 1.35 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.36 2jg0 h TYR 410 CO 0.15 0.30 0.00 1.33 -1.64 0.00 0.00 178.16 178.31 2jg0 n VAL 411 N -4.57 0.61 -2.64 1.81 0.24 -0.73 -4.73 118.33 108.32 2jg0 n VAL 411 Ca 0.18 -0.79 -0.20 0.00 -2.04 0.00 0.00 64.34 61.48 2jg0 n VAL 411 Cb 0.47 0.84 0.01 0.00 -1.47 0.00 0.00 33.84 33.69 2jg0 n VAL 411 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2jg0 n ASN 412 N 1.50 -5.77 0.01 -1.34 4.13 -0.78 -4.82 115.26 108.19 2jg0 n ASN 412 Ca 0.21 -0.13 -0.07 0.00 1.68 0.00 0.00 54.58 56.26 2jg0 n ASN 412 Cb 0.60 -4.71 -0.13 0.00 -1.54 0.00 0.00 39.78 34.00 2jg0 n ASN 412 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jg0 h ALA 413 N 0.94 0.62 -2.80 5.41 0.00 -1.30 -3.48 119.26 118.64 2jg0 h ALA 413 Ca -0.49 -1.22 -0.52 0.00 0.00 0.00 0.00 54.91 52.69 2jg0 h ALA 413 Cb 1.35 0.24 0.04 0.00 0.00 0.00 0.00 17.79 19.42 2jg0 h ALA 413 CO 0.55 1.41 0.60 0.00 0.00 0.00 0.00 179.25 181.81 2jg0 s ALA 414 N -2.66 3.48 0.65 0.00 0.00 -0.70 -4.97 121.76 117.56 2jg0 s ALA 414 Ca -0.02 1.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.89 2jg0 s ALA 414 Cb 0.09 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2jg0 s ALA 414 CO 0.82 -0.49 1.30 0.00 0.00 0.00 0.00 175.76 177.38 2jg0 n ALA 415 N 1.42 1.16 -0.25 0.00 0.00 -1.26 -4.83 120.51 116.75 2jg0 n ALA 415 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 2jg0 n ALA 415 Cb 0.43 -2.33 0.11 0.00 0.00 0.00 0.00 19.45 17.66 2jg0 n ALA 415 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jg0 h LYS 416 N 0.53 0.75 -0.65 0.00 3.64 -1.99 -0.49 116.57 118.36 2jg0 h LYS 416 Ca -0.51 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 2jg0 h LYS 416 Cb 1.34 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 2jg0 h LYS 416 CO 0.53 0.49 0.32 0.38 -2.27 0.00 0.00 179.45 178.91 2jg0 h ASP 417 N 0.77 0.82 0.47 4.20 -0.00 -2.00 -1.31 116.42 119.37 2jg0 h ASP 417 Ca 0.32 -0.08 -0.18 0.00 -0.00 0.00 0.00 57.03 57.09 2jg0 h ASP 417 Cb 0.17 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.28 2jg0 h ASP 417 CO -0.17 0.69 -0.78 0.03 -0.00 0.00 0.00 179.24 179.01 2jg0 h ARG 418 N 0.92 0.24 -0.47 4.15 3.08 -1.74 -1.12 114.38 119.44 2jg0 h ARG 418 Ca 0.23 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2jg0 h ARG 418 Cb 0.08 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2jg0 h ARG 418 CO -0.03 0.90 0.19 0.00 -1.07 0.00 0.00 179.97 179.96 2jg0 h ALA 419 N 1.03 0.61 -0.51 0.04 0.00 -0.70 -0.15 119.26 119.57 2jg0 h ALA 419 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2jg0 h ALA 419 Cb 1.36 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2jg0 h ALA 419 CO 0.12 0.22 0.33 -0.97 0.00 0.00 0.00 179.25 178.95 2jg0 h ASN 420 N 0.62 0.59 -0.95 0.00 -1.24 -1.05 -1.08 115.58 112.47 2jg0 h ASN 420 Ca 0.16 -0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.19 2jg0 h ASN 420 Cb 0.20 -0.15 -0.06 0.00 0.73 0.00 0.00 38.32 39.04 2jg0 h ASN 420 CO -0.01 0.44 0.62 0.11 -1.29 0.00 0.00 177.43 177.30 2jg0 h LYS 421 N 0.69 1.11 -0.39 6.67 1.57 -1.02 -2.18 116.57 123.01 2jg0 h LYS 421 Ca 0.19 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2jg0 h LYS 421 Cb -0.06 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 31.98 2jg0 h LYS 421 CO -0.04 0.73 -0.08 0.52 -0.57 0.00 0.00 179.45 180.02 2jg0 h MET 422 N 1.14 0.67 -0.55 3.15 2.86 -0.27 -0.22 114.93 121.71 2jg0 h MET 422 Ca 0.40 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2jg0 h MET 422 Cb 0.11 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 2jg0 h MET 422 CO -0.14 0.74 0.35 0.00 1.06 0.00 0.00 176.91 178.92 2jg0 h ALA 423 N 1.30 0.70 -0.27 6.32 0.00 -0.80 0.03 119.26 126.54 2jg0 h ALA 423 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2jg0 h ALA 423 Cb 0.50 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jg0 h ALA 423 CO 0.03 0.09 0.08 1.15 0.00 0.00 0.00 179.25 180.60 2jg0 h THR 424 N 0.70 1.20 -0.83 0.00 2.02 -0.98 -1.42 112.91 113.60 2jg0 h THR 424 Ca 0.21 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.76 2jg0 h THR 424 Cb -0.03 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 2jg0 h THR 424 CO -0.07 0.21 0.55 0.00 0.37 0.00 0.00 175.52 176.58 2jg0 h ALA 425 N 0.91 1.05 0.31 6.16 0.00 -0.84 0.59 119.26 127.43 2jg0 h ALA 425 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jg0 h ALA 425 Cb 0.25 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jg0 h ALA 425 CO -0.00 0.46 -0.18 1.15 0.00 0.00 0.00 179.25 180.67 2jg0 h THR 426 N 1.12 0.63 -0.72 0.00 2.02 -0.81 0.10 112.91 115.24 2jg0 h THR 426 Ca 0.30 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.47 2jg0 h THR 426 Cb -0.13 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 2jg0 h THR 426 CO -0.07 0.00 0.40 0.11 0.37 0.00 0.00 175.52 176.34 2jg0 h LYS 427 N -0.46 1.01 -0.17 6.66 1.57 -0.87 0.83 116.57 125.13 2jg0 h LYS 427 Ca -0.03 -0.11 -0.22 0.00 -1.87 0.00 0.00 60.65 58.42 2jg0 h LYS 427 Cb 0.38 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.50 2jg0 h LYS 427 CO 0.04 0.75 -0.75 1.79 -0.57 0.00 0.00 179.45 180.71 2jg0 h THR 428 N 1.00 1.28 0.00 -0.16 1.35 -0.75 -3.41 112.91 112.22 2jg0 h THR 428 Ca 0.26 -1.95 -0.03 0.00 -0.55 0.00 0.00 66.41 64.14 2jg0 h THR 428 Cb 0.03 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 2jg0 h THR 428 CO -0.04 0.62 -1.13 1.41 -0.25 0.00 0.00 175.52 176.13 2jg0 n HIS 429 N -3.94 0.00 -0.04 4.73 8.25 0.01 -4.89 115.22 119.34 2jg0 n HIS 429 Ca -0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.35 2jg0 n HIS 429 Cb 0.73 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.68 2jg0 n HIS 429 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2jg0 n LEU 430 N -1.98 0.08 -4.67 2.41 4.77 -0.09 -4.85 117.00 112.67 2jg0 n LEU 430 Ca -0.03 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 2jg0 n LEU 430 Cb 0.47 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 2jg0 n LEU 430 CO 0.04 0.22 1.11 -0.22 -1.33 0.00 0.00 177.39 177.22 2jg0 s LEU 431 N -4.66 4.26 0.38 2.23 2.96 0.09 -0.22 118.68 123.73 2jg0 s LEU 431 Ca -0.05 1.91 0.06 0.00 -0.22 0.00 0.00 54.13 55.83 2jg0 s LEU 431 Cb 0.03 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.10 2jg0 s LEU 431 CO 0.35 -0.74 0.03 -1.10 -1.32 0.00 0.00 176.35 173.57 2jg0 s GLN 432 N 3.02 1.86 0.54 1.98 -1.52 0.20 -4.94 119.66 120.80 2jg0 s GLN 432 Ca 0.60 -2.05 0.23 0.00 -1.95 0.00 0.00 55.36 52.19 2jg0 s GLN 432 Cb -0.27 -1.35 1.41 0.00 -0.22 0.00 0.00 33.01 32.59 2jg0 s GLN 432 CO 0.21 -0.11 2.07 -1.35 -0.25 0.00 0.00 175.29 175.86 2jg0 h PRO 433 N 1.88 0.00 -0.41 2.91 0.11 -1.78 -2.24 132.00 132.47 2jg0 h PRO 433 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2jg0 h PRO 433 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2jg0 h PRO 433 CO 0.76 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 2jg0 n GLY 434 N -1.56 3.09 0.00 -0.55 0.00 -0.01 -4.69 105.19 101.47 2jg0 n GLY 434 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2jg0 n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jg0 n GLY 435 N 0.44 0.88 3.67 -0.02 0.00 -0.85 -3.73 105.19 105.58 2jg0 n GLY 435 Ca 0.18 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 2jg0 n GLY 435 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jg0 s LEU 436 N 0.00 4.15 0.51 0.99 2.96 -1.26 -0.63 118.68 125.40 2jg0 s LEU 436 Ca 0.00 1.43 -0.22 0.00 -0.22 0.00 0.00 54.13 55.13 2jg0 s LEU 436 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 2jg0 s LEU 436 CO 0.00 -0.59 1.20 0.21 -1.32 0.00 0.00 176.35 175.85 2jg0 s ASN 437 N 1.16 5.79 0.05 3.68 3.84 0.70 -4.37 114.94 125.80 2jg0 s ASN 437 Ca 0.45 2.38 -0.15 0.00 0.21 0.00 0.00 52.86 55.75 2jg0 s ASN 437 Cb -0.16 -2.60 -0.28 0.00 -0.55 0.00 0.00 41.25 37.66 2jg0 s ASN 437 CO 0.10 -1.18 1.11 0.74 -2.79 0.00 0.00 177.10 175.08 2jg0 h THR 438 N 1.54 1.29 -4.04 -5.21 2.02 -1.69 -3.40 112.91 103.43 2jg0 h THR 438 Ca -0.50 -2.40 -0.29 0.00 0.77 0.00 0.00 66.41 63.99 2jg0 h THR 438 Cb 1.27 2.64 -0.07 0.00 -1.74 0.00 0.00 68.15 70.25 2jg0 h THR 438 CO 0.58 0.73 -0.17 0.35 0.37 0.00 0.00 175.52 177.38 2jg0 n THR 439 N -3.84 0.00 -0.53 3.16 -2.24 -1.26 -0.80 114.28 108.77 2jg0 n THR 439 Ca -0.13 -1.79 0.08 0.00 -2.27 0.00 0.00 64.05 59.94 2jg0 n THR 439 Cb 0.95 1.08 0.26 0.00 -2.10 0.00 0.00 70.33 70.52 2jg0 n THR 439 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jg0 n SER 440 N -1.65 3.84 -4.36 3.42 3.41 -1.26 -3.35 113.62 113.68 2jg0 n SER 440 Ca 0.01 -2.39 -0.35 0.00 -0.26 0.00 0.00 58.87 55.88 2jg0 n SER 440 Cb 0.57 -0.44 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 2jg0 n SER 440 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jg0 s VAL 441 N -1.72 3.52 -0.85 -3.33 1.01 -1.26 -4.87 120.40 112.90 2jg0 s VAL 441 Ca 0.39 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 2jg0 s VAL 441 Cb 0.25 -2.59 0.13 0.00 0.00 0.00 0.00 36.38 34.18 2jg0 s VAL 441 CO 0.18 0.43 1.03 -0.54 0.00 0.00 0.00 175.10 176.21 2jg0 s LYS 442 N 1.22 3.48 0.02 2.72 1.02 -1.26 -2.11 119.74 124.83 2jg0 s LYS 442 Ca 0.03 -1.67 0.22 0.00 0.02 0.00 0.00 55.97 54.57 2jg0 s LYS 442 Cb -0.14 -4.71 -0.10 0.00 -0.52 0.00 0.00 37.83 32.35 2jg0 s LYS 442 CO -0.01 -1.71 0.88 -1.13 -0.92 0.00 0.00 175.35 172.47 2jg0 n SER 443 N 6.41 0.57 0.00 2.83 3.41 -1.26 -4.96 113.62 120.63 2jg0 n SER 443 Ca 0.16 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2jg0 n SER 443 Cb 0.48 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 2jg0 n SER 443 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jg0 n GLY 444 N 1.37 1.27 3.94 5.00 0.00 -1.26 -4.74 105.19 110.76 2jg0 n GLY 444 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2jg0 n GLY 444 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jg0 s GLN 445 N -0.54 3.11 0.15 1.61 -1.52 -1.26 -0.92 119.66 120.29 2jg0 s GLN 445 Ca 0.00 -0.25 0.13 0.00 -1.95 0.00 0.00 55.36 53.29 2jg0 s GLN 445 Cb 0.00 -2.46 -0.09 0.00 -0.22 0.00 0.00 33.01 30.24 2jg0 s GLN 445 CO 0.00 -0.36 1.17 -0.56 -0.25 0.00 0.00 175.29 175.29 2jg0 h GLN 446 N 0.23 0.00 -3.35 2.91 3.07 -1.75 -3.36 115.11 112.86 2jg0 h GLN 446 Ca -0.46 0.00 -0.77 0.00 0.09 0.00 0.00 58.65 57.51 2jg0 h GLN 446 Cb 1.25 0.00 -0.18 0.00 0.08 0.00 0.00 27.48 28.62 2jg0 h GLN 446 CO 0.59 0.59 1.75 0.91 0.09 0.00 0.00 178.83 182.76 2jg0 n TRP 447 N -3.16 2.75 -3.63 0.06 7.02 -0.54 -4.73 117.44 115.21 2jg0 n TRP 447 Ca -0.03 -2.73 -0.03 0.00 -1.02 0.00 0.00 57.50 53.68 2jg0 n TRP 447 Cb 0.85 -1.78 -0.01 0.00 -2.42 0.00 0.00 31.31 27.94 2jg0 n TRP 447 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2jg0 s ASP 448 N 0.23 -0.18 0.44 -0.99 1.01 -1.26 -4.37 116.67 111.56 2jg0 s ASP 448 Ca 0.38 -0.15 -0.23 0.00 0.71 0.00 0.00 52.55 53.25 2jg0 s ASP 448 Cb 0.09 0.30 -0.10 0.00 1.01 0.00 0.00 42.92 44.21 2jg0 s ASP 448 CO 0.03 -0.52 0.97 0.00 0.21 0.00 0.00 175.17 175.86 2jg0 n ALA 449 N -0.34 0.09 -0.69 5.23 0.00 -0.90 -0.85 120.51 123.06 2jg0 n ALA 449 Ca -0.06 0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.47 2jg0 n ALA 449 Cb 0.61 -2.07 0.21 0.00 0.00 0.00 0.00 19.45 18.20 2jg0 n ALA 449 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jg0 n PRO 450 N 0.04 2.73 -3.11 0.00 -0.04 -1.26 -4.22 135.00 129.13 2jg0 n PRO 450 Ca 0.10 -2.44 -0.39 0.00 -0.04 0.00 0.00 63.50 60.73 2jg0 n PRO 450 Cb 0.40 -2.00 -0.06 0.00 -0.04 0.00 0.00 33.50 31.80 2jg0 n PRO 450 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jg0 s ASN 451 N -0.76 7.18 -0.10 3.54 0.01 -0.03 -0.73 114.94 124.06 2jg0 s ASN 451 Ca 0.45 1.40 0.01 0.00 -0.71 0.00 0.00 52.86 54.01 2jg0 s ASN 451 Cb 0.37 -2.43 -0.02 0.00 0.41 0.00 0.00 41.25 39.58 2jg0 s ASN 451 CO 0.10 0.16 -0.13 -0.83 -1.51 0.00 0.00 177.10 174.89 2jg0 s GLY 452 N -0.70 1.54 -0.12 0.66 0.00 0.15 -2.11 107.32 106.73 2jg0 s GLY 452 Ca 0.34 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2jg0 s GLY 452 CO 0.22 -0.41 -0.14 -0.98 0.00 0.00 0.00 173.10 171.78 2jg0 s TRP 453 N -0.07 2.78 0.25 1.90 0.52 -1.26 -1.19 118.94 121.86 2jg0 s TRP 453 Ca -0.02 -0.68 -0.13 0.00 0.02 0.00 0.00 56.10 55.29 2jg0 s TRP 453 Cb -0.14 -1.82 0.33 0.00 -1.15 0.00 0.00 33.47 30.68 2jg0 s TRP 453 CO 0.04 -0.22 1.57 0.00 0.02 0.00 0.00 176.95 178.35 2jg0 h ALA 454 N 6.67 0.39 -0.89 0.98 0.00 -1.90 -1.02 119.26 123.49 2jg0 h ALA 454 Ca -0.25 0.31 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jg0 h ALA 454 Cb 1.21 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.78 2jg0 h ALA 454 CO 0.55 -0.50 0.59 -1.00 0.00 0.00 0.00 179.25 178.88 2jg0 h PRO 455 N -0.02 1.07 -0.09 0.00 0.13 -1.96 -1.30 132.00 129.84 2jg0 h PRO 455 Ca 0.39 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 65.35 2jg0 h PRO 455 Cb 0.64 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 2jg0 h PRO 455 CO -0.94 0.71 -0.42 -0.07 -0.23 0.00 0.00 178.00 177.04 2jg0 h LEU 456 N 1.10 0.21 -0.35 1.56 3.38 -1.63 -1.05 115.31 118.53 2jg0 h LEU 456 Ca 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2jg0 h LEU 456 Cb 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2jg0 h LEU 456 CO -0.11 0.61 0.18 1.56 0.09 0.00 0.00 178.44 180.76 2jg0 h GLN 457 N 0.16 0.50 -0.19 1.13 1.08 -0.67 -1.53 115.11 115.59 2jg0 h GLN 457 Ca 0.01 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.06 2jg0 h GLN 457 Cb 0.82 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2jg0 h GLN 457 CO 0.06 0.45 -0.19 2.35 -0.95 0.00 0.00 178.83 180.54 2jg0 h TRP 458 N 0.43 0.57 -0.66 2.96 2.91 -1.09 -1.14 115.95 119.92 2jg0 h TRP 458 Ca 0.12 -0.17 0.05 0.00 1.13 0.00 0.00 58.89 60.02 2jg0 h TRP 458 Cb 0.10 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 28.58 2jg0 h TRP 458 CO -0.02 0.83 0.39 -0.39 -1.03 0.00 0.00 178.44 178.22 2jg0 h VAL 459 N 0.14 1.01 -0.05 2.65 -1.51 -1.21 0.07 116.25 117.36 2jg0 h VAL 459 Ca 0.03 -0.25 -0.00 0.00 -1.23 0.00 0.00 66.70 65.25 2jg0 h VAL 459 Cb 0.74 0.22 -0.00 0.00 -2.13 0.00 0.00 31.29 30.12 2jg0 h VAL 459 CO 0.05 0.13 0.03 0.00 -1.23 0.00 0.00 177.57 176.55 2jg0 h ALA 460 N 1.32 0.06 -0.43 5.19 0.00 -1.19 0.44 119.26 124.66 2jg0 h ALA 460 Ca 0.28 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2jg0 h ALA 460 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jg0 h ALA 460 CO -0.15 -0.40 -0.05 1.79 0.00 0.00 0.00 179.25 180.44 2jg0 h THR 461 N 0.00 1.27 -0.44 0.00 1.35 -0.89 0.32 112.91 114.52 2jg0 h THR 461 Ca 0.02 -1.12 -0.09 0.00 -0.55 0.00 0.00 66.41 64.67 2jg0 h THR 461 Cb 0.07 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2jg0 h THR 461 CO -0.00 0.38 -0.09 -0.33 -0.25 0.00 0.00 175.52 175.23 2jg0 h GLU 462 N 0.62 0.84 -0.60 4.72 4.39 -0.96 -0.75 114.58 122.84 2jg0 h GLU 462 Ca 0.11 -0.31 0.03 0.00 0.34 0.00 0.00 59.36 59.53 2jg0 h GLU 462 Cb 0.56 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 2jg0 h GLU 462 CO 0.03 0.94 0.36 0.78 -1.16 0.00 0.00 179.01 179.97 2jg0 h GLY 463 N 0.68 0.86 1.03 -3.84 0.00 -0.76 -0.95 103.07 100.09 2jg0 h GLY 463 Ca 0.11 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 2jg0 h GLY 463 CO 0.04 0.23 0.12 1.41 0.00 0.00 0.00 176.54 178.34 2jg0 h LEU 464 N 0.72 0.96 -1.50 3.11 3.38 -0.74 -2.61 115.31 118.62 2jg0 h LEU 464 Ca 0.24 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2jg0 h LEU 464 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2jg0 h LEU 464 CO -0.10 0.96 -0.26 1.56 0.09 0.00 0.00 178.44 180.69 2jg0 h GLN 465 N 0.91 0.00 0.00 1.13 4.20 -0.87 -0.73 115.11 119.75 2jg0 h GLN 465 Ca 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 2jg0 h GLN 465 Cb 0.39 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2jg0 h GLN 465 CO 0.01 0.26 -0.00 -0.91 -0.67 0.00 0.00 178.83 177.52 2jg0 h ASN 466 N 0.00 0.00 0.00 1.46 2.35 -0.77 -1.88 115.58 116.74 2jg0 h ASN 466 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jg0 h ASN 466 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2jg0 h ASN 466 CO 0.03 0.00 -0.02 -1.22 -1.65 0.00 0.00 177.43 174.58 2jg0 n TYR 467 N -3.09 0.00 -1.10 1.19 4.01 -0.60 -4.99 117.16 112.57 2jg0 n TYR 467 Ca -0.02 -0.95 -0.04 0.00 -0.16 0.00 0.00 57.90 56.73 2jg0 n TYR 467 Cb 0.12 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 2jg0 n TYR 467 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jg0 n GLY 468 N -1.36 0.63 2.75 2.72 0.00 -0.71 -4.92 105.19 104.30 2jg0 n GLY 468 Ca 0.15 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2jg0 n GLY 468 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jg0 n GLN 469 N -2.21 3.76 0.06 1.61 1.13 -0.38 -4.75 117.38 116.61 2jg0 n GLN 469 Ca -0.04 -3.39 -0.08 0.00 -1.94 0.00 0.00 57.00 51.55 2jg0 n GLN 469 Cb 0.20 -2.89 0.05 0.00 0.11 0.00 0.00 30.24 27.71 2jg0 n GLN 469 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2jg0 h LYS 470 N 5.50 0.33 -0.14 -1.09 1.57 -1.91 -2.43 116.57 118.41 2jg0 h LYS 470 Ca 0.49 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2jg0 h LYS 470 Cb 0.55 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2jg0 h LYS 470 CO 1.63 0.91 0.01 0.93 -0.57 0.00 0.00 179.45 182.36 2jg0 h GLU 471 N 0.23 0.23 -0.51 3.15 4.39 -1.98 0.30 114.58 120.39 2jg0 h GLU 471 Ca -0.02 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 2jg0 h GLU 471 Cb 1.27 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 2jg0 h GLU 471 CO 0.12 0.45 -0.07 0.28 -1.16 0.00 0.00 179.01 178.62 2jg0 h VAL 472 N -0.02 1.26 -0.57 3.13 2.07 -1.96 -1.23 116.25 118.94 2jg0 h VAL 472 Ca 0.04 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2jg0 h VAL 472 Cb 0.34 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2jg0 h VAL 472 CO 0.01 0.41 0.37 0.00 0.02 0.00 0.00 177.57 178.38 2jg0 h ALA 473 N 1.08 0.72 -0.64 1.67 0.00 -1.28 -1.30 119.26 119.52 2jg0 h ALA 473 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2jg0 h ALA 473 Cb 0.60 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2jg0 h ALA 473 CO 0.04 0.16 0.27 1.98 0.00 0.00 0.00 179.25 181.70 2jg0 h MET 474 N 0.77 0.95 -0.56 0.00 -1.53 -0.69 -1.83 114.93 112.03 2jg0 h MET 474 Ca 0.21 -0.16 -0.08 0.00 -3.44 0.00 0.00 59.70 56.22 2jg0 h MET 474 Cb -0.08 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 30.80 2jg0 h MET 474 CO -0.04 0.79 0.02 -0.44 0.14 0.00 0.00 176.91 177.37 2jg0 h ASP 475 N 0.89 0.95 -0.31 1.39 3.32 -0.87 0.19 116.42 121.97 2jg0 h ASP 475 Ca 0.21 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 56.98 2jg0 h ASP 475 Cb 0.19 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2jg0 h ASP 475 CO -0.02 1.01 0.17 0.40 -1.72 0.00 0.00 179.24 179.08 2jg0 h ILE 476 N 0.86 1.01 -0.01 0.35 2.04 -1.07 0.67 117.51 121.36 2jg0 h ILE 476 Ca 0.16 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 2jg0 h ILE 476 Cb 0.52 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2jg0 h ILE 476 CO 0.03 0.06 0.00 0.28 0.00 0.00 0.00 178.15 178.52 2jg0 h SER 477 N 0.34 0.01 -0.57 1.72 0.02 -1.01 -0.54 113.55 113.53 2jg0 h SER 477 Ca 0.13 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2jg0 h SER 477 Cb 0.03 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2jg0 h SER 477 CO -0.08 0.15 0.29 -0.50 -1.14 0.00 0.00 176.83 175.56 2jg0 h TRP 478 N -0.14 0.80 -0.14 3.45 4.06 -0.55 0.86 115.95 124.29 2jg0 h TRP 478 Ca 0.00 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 2jg0 h TRP 478 Cb 0.15 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 2jg0 h TRP 478 CO -0.03 0.59 0.05 0.45 -3.56 0.00 0.00 178.44 175.95 2jg0 h HIS 479 N 0.77 0.21 -0.33 0.49 3.86 -0.74 -0.17 115.15 119.24 2jg0 h HIS 479 Ca 0.20 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 2jg0 h HIS 479 Cb 0.08 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2jg0 h HIS 479 CO -0.01 0.31 0.09 0.35 0.86 0.00 0.00 177.93 179.53 2jg0 h PHE 480 N 0.05 0.54 -1.01 2.45 3.57 -1.02 -2.13 116.94 119.40 2jg0 h PHE 480 Ca 0.04 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.50 2jg0 h PHE 480 Cb 0.19 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 2jg0 h PHE 480 CO -0.01 0.55 0.66 -0.07 -2.23 0.00 0.00 178.31 177.22 2jg0 h LEU 481 N 0.38 1.14 -1.03 0.59 3.38 -0.79 0.05 115.31 119.04 2jg0 h LEU 481 Ca 0.10 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2jg0 h LEU 481 Cb 0.27 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2jg0 h LEU 481 CO -0.00 0.82 0.63 0.74 0.09 0.00 0.00 178.44 180.71 2jg0 h THR 482 N 1.34 1.25 -0.19 0.22 2.02 -0.84 0.25 112.91 116.96 2jg0 h THR 482 Ca 0.38 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2jg0 h THR 482 Cb -0.12 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.12 2jg0 h THR 482 CO -0.09 0.25 0.08 -1.13 0.37 0.00 0.00 175.52 175.00 2jg0 h ASN 483 N 1.32 0.26 -0.15 4.18 -0.73 -0.64 0.88 115.58 120.69 2jg0 h ASN 483 Ca 0.35 -0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.38 2jg0 h ASN 483 Cb -0.13 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.38 2jg0 h ASN 483 CO -0.07 0.33 0.09 0.58 -0.37 0.00 0.00 177.43 177.99 2jg0 h VAL 484 N 0.17 1.08 -0.28 2.57 2.07 -0.55 -1.02 116.25 120.28 2jg0 h VAL 484 Ca 0.06 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2jg0 h VAL 484 Cb 0.15 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2jg0 h VAL 484 CO -0.01 0.07 0.17 -0.61 0.02 0.00 0.00 177.57 177.21 2jg0 h GLN 485 N 0.17 0.38 -0.51 1.57 5.75 -0.39 -0.71 115.11 121.38 2jg0 h GLN 485 Ca 0.06 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2jg0 h GLN 485 Cb 0.04 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 2jg0 h GLN 485 CO -0.01 0.30 0.32 1.25 -2.65 0.00 0.00 178.83 178.03 2jg0 h HIS 486 N 0.35 0.65 -0.69 3.99 2.76 -0.65 0.43 115.15 122.00 2jg0 h HIS 486 Ca 0.10 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.24 2jg0 h HIS 486 Cb 0.02 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 2jg0 h HIS 486 CO -0.04 0.44 0.28 1.15 -1.30 0.00 0.00 177.93 178.45 2jg0 h THR 487 N 0.68 1.24 -0.51 6.26 2.02 -1.11 -1.47 112.91 120.02 2jg0 h THR 487 Ca 0.18 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 2jg0 h THR 487 Cb -0.04 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2jg0 h THR 487 CO -0.04 0.30 0.20 0.22 0.37 0.00 0.00 175.52 176.57 2jg0 h TYR 488 N 0.98 0.78 -0.73 3.16 3.20 -0.56 0.33 116.97 124.13 2jg0 h TYR 488 Ca 0.23 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.07 2jg0 h TYR 488 Cb 0.20 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 2jg0 h TYR 488 CO 0.01 0.65 0.48 -0.44 -1.64 0.00 0.00 178.16 177.22 2jg0 h ASP 489 N 0.68 0.77 0.00 -2.11 3.32 0.22 0.23 116.42 119.53 2jg0 h ASP 489 Ca 0.17 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2jg0 h ASP 489 Cb 0.20 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2jg0 h ASP 489 CO -0.01 0.53 -0.00 0.03 -1.72 0.00 0.00 179.24 178.07 2jg0 h ARG 490 N 0.89 -0.00 0.00 3.56 3.08 -0.95 -3.41 114.38 117.55 2jg0 h ARG 490 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2jg0 h ARG 490 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2jg0 h ARG 490 CO -0.08 0.88 -0.76 0.39 -1.07 0.00 0.00 179.97 179.33 2jg0 n GLU 491 N -4.64 2.18 -3.05 0.04 -0.58 0.11 -5.01 120.64 109.69 2jg0 n GLU 491 Ca -0.09 -0.01 -0.19 0.00 -0.42 0.00 0.00 57.16 56.44 2jg0 n GLU 491 Cb 0.43 -1.18 0.04 0.00 -0.57 0.00 0.00 31.44 30.16 2jg0 n GLU 491 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jg0 n LYS 492 N -1.40 -4.88 -3.68 3.49 4.01 0.81 -4.97 118.16 111.54 2jg0 n LYS 492 Ca 0.02 0.74 -0.09 0.00 -0.51 0.00 0.00 58.31 58.48 2jg0 n LYS 492 Cb 0.23 -5.31 -0.02 0.00 -0.51 0.00 0.00 35.03 29.42 2jg0 n LYS 492 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2jg0 s LYS 493 N -5.68 1.54 0.10 1.97 -2.85 -1.26 -4.56 119.74 108.99 2jg0 s LYS 493 Ca 0.33 -0.76 0.06 0.00 -1.00 0.00 0.00 55.97 54.59 2jg0 s LYS 493 Cb -0.14 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.17 2jg0 s LYS 493 CO 0.40 -0.70 -0.05 -0.51 0.10 0.00 0.00 175.35 174.60 2jg0 s LEU 494 N -2.84 3.27 0.34 2.77 2.01 -1.26 -3.79 118.68 119.17 2jg0 s LEU 494 Ca 0.07 -0.27 0.03 0.00 0.01 0.00 0.00 54.13 53.97 2jg0 s LEU 494 Cb -0.04 -2.02 -0.05 0.00 0.01 0.00 0.00 46.19 44.09 2jg0 s LEU 494 CO -0.01 0.18 0.10 0.68 1.01 0.00 0.00 176.35 178.31 2jg0 s VAL 495 N -1.27 0.78 0.17 -1.59 -7.23 -1.26 -1.02 120.40 108.98 2jg0 s VAL 495 Ca 0.24 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.31 2jg0 s VAL 495 Cb -0.11 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.28 2jg0 s VAL 495 CO 0.16 0.00 1.61 -0.08 -0.31 0.00 0.00 175.10 176.48 2jg0 h GLU 496 N 2.07 1.02 -3.34 4.82 4.81 -1.49 -3.43 114.58 119.04 2jg0 h GLU 496 Ca -0.38 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 58.45 2jg0 h GLU 496 Cb 1.25 -0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.44 2jg0 h GLU 496 CO 0.62 1.05 -0.02 -1.59 -0.73 0.00 0.00 179.01 178.33 2jg0 s LYS 497 N -4.92 1.16 0.08 1.92 0.00 -1.26 -4.61 119.74 112.11 2jg0 s LYS 497 Ca -0.12 -0.72 0.07 0.00 0.00 0.00 0.00 55.97 55.20 2jg0 s LYS 497 Cb 0.13 0.49 -0.03 0.00 0.00 0.00 0.00 37.83 38.42 2jg0 s LYS 497 CO 0.86 -0.47 -0.19 0.71 0.00 0.00 0.00 175.35 176.25 2jg0 s TYR 498 N -3.82 1.68 -0.39 1.78 2.02 -0.33 -0.86 117.35 117.44 2jg0 s TYR 498 Ca 0.04 -0.40 -0.28 0.00 -0.37 0.00 0.00 57.07 56.07 2jg0 s TYR 498 Cb 0.01 -0.96 0.02 0.00 -0.40 0.00 0.00 41.96 40.63 2jg0 s TYR 498 CO -0.10 0.14 1.03 0.34 -1.57 0.00 0.00 175.55 175.39 2jg0 s ASP 499 N -1.59 6.73 0.00 2.29 -1.08 -0.60 0.31 116.67 122.73 2jg0 s ASP 499 Ca 0.05 0.67 0.29 0.00 -0.52 0.00 0.00 52.55 53.04 2jg0 s ASP 499 Cb -0.09 -2.51 1.22 0.00 -1.46 0.00 0.00 42.92 40.08 2jg0 s ASP 499 CO 0.03 -0.98 1.84 1.33 0.52 0.00 0.00 175.17 177.91 2jg0 n VAL 500 N 6.20 0.00 0.21 1.11 0.24 0.09 -3.89 118.33 122.30 2jg0 n VAL 500 Ca 0.10 -0.19 0.06 0.00 -2.04 0.00 0.00 64.34 62.28 2jg0 n VAL 500 Cb 0.48 0.27 0.48 0.00 -1.47 0.00 0.00 33.84 33.59 2jg0 n VAL 500 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2jg0 h SER 501 N 1.75 0.00 -0.36 -1.34 4.64 -1.91 0.04 113.55 116.37 2jg0 h SER 501 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jg0 h SER 501 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2jg0 h SER 501 CO 0.00 0.28 0.00 0.35 -0.87 0.00 0.00 176.83 176.59 2jg0 n THR 502 N -3.87 0.00 -4.35 2.95 -2.24 -1.25 -4.53 114.28 100.98 2jg0 n THR 502 Ca -0.02 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 2jg0 n THR 502 Cb 0.36 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.49 2jg0 n THR 502 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jg0 s THR 503 N -0.99 1.85 0.00 4.28 -4.23 -1.26 -3.38 115.64 111.91 2jg0 s THR 503 Ca 0.00 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 2jg0 s THR 503 Cb 0.00 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.86 2jg0 s THR 503 CO 0.00 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 2jg0 n GLY 504 N -0.12 0.74 3.10 3.99 0.00 -1.25 -4.92 105.19 106.74 2jg0 n GLY 504 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 2jg0 n GLY 504 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jg0 s THR 505 N -2.34 1.35 0.68 2.61 2.01 -1.26 -4.29 115.64 114.39 2jg0 s THR 505 Ca 0.00 -0.65 -0.13 0.00 0.31 0.00 0.00 61.69 61.21 2jg0 s THR 505 Cb 0.00 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.34 2jg0 s THR 505 CO 0.00 0.40 1.08 -0.83 -0.69 0.00 0.00 174.62 174.58 2jg0 s GLY 506 N 0.21 1.93 0.81 4.40 0.00 -1.26 -1.56 107.32 111.85 2jg0 s GLY 506 Ca -0.07 0.34 -0.10 0.00 0.00 0.00 0.00 44.72 44.89 2jg0 s GLY 506 CO 0.03 0.67 1.10 0.61 0.00 0.00 0.00 173.10 175.51 2jg0 n GLY 507 N -1.13 -0.72 0.00 0.20 0.00 -0.04 -4.10 105.19 99.41 2jg0 n GLY 507 Ca 0.09 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2jg0 n GLY 507 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jg0 n GLY 508 N -2.54 4.28 0.00 -0.02 0.00 -1.26 -4.59 105.19 101.05 2jg0 n GLY 508 Ca 0.15 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2jg0 n GLY 508 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jg0 n GLY 509 N 0.00 1.88 7.00 -0.02 0.00 -1.26 -4.33 105.19 108.46 2jg0 n GLY 509 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2jg0 n GLY 509 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jg0 n GLY 510 N 1.91 -1.27 0.25 -0.02 0.00 -0.10 -4.31 105.19 101.65 2jg0 n GLY 510 Ca 0.00 -1.26 0.13 0.00 0.00 0.00 0.00 46.02 44.90 2jg0 n GLY 510 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jg0 n GLU 511 N -0.10 0.89 -4.05 1.61 0.28 -1.26 -4.88 120.64 113.14 2jg0 n GLU 511 Ca 0.00 -0.51 -0.08 0.00 -0.16 0.00 0.00 57.16 56.41 2jg0 n GLU 511 Cb 0.00 -1.49 -0.09 0.00 1.43 0.00 0.00 31.44 31.29 2jg0 n GLU 511 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 2jg0 s TYR 512 N -2.46 0.52 0.64 -1.84 -0.85 -1.26 -5.05 117.35 107.05 2jg0 s TYR 512 Ca 0.26 -0.99 -0.13 0.00 -0.52 0.00 0.00 57.07 55.69 2jg0 s TYR 512 Cb 0.19 -0.32 -0.02 0.00 0.38 0.00 0.00 41.96 42.20 2jg0 s TYR 512 CO 0.50 -0.48 1.06 -2.14 -1.52 0.00 0.00 175.55 172.97 2jg0 s PRO 513 N -3.94 3.16 0.02 -3.49 0.02 -1.26 -4.73 135.00 124.79 2jg0 s PRO 513 Ca 0.12 1.08 -0.38 0.00 0.02 0.00 0.00 61.00 61.84 2jg0 s PRO 513 Cb 0.07 -2.02 -0.17 0.00 0.02 0.00 0.00 34.50 32.40 2jg0 s PRO 513 CO -0.06 -0.93 1.32 -0.11 -0.33 0.00 0.00 177.00 176.89 2jg0 n LEU 514 N -2.52 1.34 -4.94 -5.54 7.94 -1.26 -4.96 117.00 107.05 2jg0 n LEU 514 Ca 0.08 1.13 -0.24 0.00 -1.11 0.00 0.00 56.01 55.87 2jg0 n LEU 514 Cb 0.53 -1.12 -0.03 0.00 0.53 0.00 0.00 43.42 43.33 2jg0 n LEU 514 CO 0.51 -1.18 -0.09 -1.10 -1.11 0.00 0.00 177.39 174.42 2jg0 s GLN 515 N 0.69 3.37 0.07 1.96 -1.52 -1.26 -4.98 119.66 117.99 2jg0 s GLN 515 Ca 0.87 -0.70 0.06 0.00 -1.95 0.00 0.00 55.36 53.65 2jg0 s GLN 515 Cb -1.05 -2.90 -0.04 0.00 -0.22 0.00 0.00 33.01 28.81 2jg0 s GLN 515 CO 0.51 0.48 -0.10 -0.51 -0.25 0.00 0.00 175.29 175.43 2jg0 s ASP 516 N -3.51 4.41 0.00 5.90 1.01 -1.26 -1.14 116.67 122.07 2jg0 s ASP 516 Ca 0.34 -0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.27 2jg0 s ASP 516 Cb -0.10 -0.88 0.00 0.00 1.01 0.00 0.00 42.92 42.95 2jg0 s ASP 516 CO 0.28 0.21 0.00 0.61 0.21 0.00 0.00 175.17 176.48 2jg0 n GLY 517 N 0.99 -1.35 2.74 0.21 0.00 -0.19 -3.26 105.19 104.33 2jg0 n GLY 517 Ca -0.14 0.49 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 2jg0 n GLY 517 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jg0 s PHE 518 N 0.00 0.35 0.01 1.61 5.36 -1.24 -4.22 117.98 119.84 2jg0 s PHE 518 Ca 0.00 0.04 -0.02 0.00 -0.96 0.00 0.00 56.93 55.99 2jg0 s PHE 518 Cb 0.00 -0.59 -0.00 0.00 -0.34 0.00 0.00 43.02 42.08 2jg0 s PHE 518 CO 0.00 -0.23 0.61 0.41 -1.46 0.00 0.00 175.22 174.55 2jg0 n GLY 519 N 5.01 -1.78 0.21 13.12 0.00 -0.06 -0.74 105.19 120.96 2jg0 n GLY 519 Ca -0.09 0.38 0.09 0.00 0.00 0.00 0.00 46.02 46.40 2jg0 n GLY 519 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2jg0 h TRP 520 N 0.00 0.00 -0.22 1.61 0.09 -1.88 -1.24 115.95 114.31 2jg0 h TRP 520 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 58.89 58.95 2jg0 h TRP 520 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.26 2jg0 h TRP 520 CO -0.55 0.25 -0.01 1.15 0.09 0.00 0.00 178.44 179.37 2jg0 h THR 521 N 0.00 1.26 -0.31 0.12 2.02 -1.22 -1.15 112.91 113.63 2jg0 h THR 521 Ca -0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 2jg0 h THR 521 Cb 0.80 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 2jg0 h THR 521 CO 0.03 0.28 0.20 0.78 0.37 0.00 0.00 175.52 177.18 2jg0 h ASN 522 N 0.16 0.36 -0.21 4.18 4.21 -0.81 0.17 115.58 123.64 2jg0 h ASN 522 Ca 0.06 -0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 2jg0 h ASN 522 Cb 0.42 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 2jg0 h ASN 522 CO 0.01 0.28 0.08 1.23 -1.29 0.00 0.00 177.43 177.75 2jg0 h GLY 523 N 0.41 0.33 1.23 2.83 0.00 -1.21 -2.35 103.07 104.32 2jg0 h GLY 523 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 2jg0 h GLY 523 CO -0.02 0.17 0.00 -2.08 0.00 0.00 0.00 176.54 174.61 2jg0 h VAL 524 N 0.18 1.26 -0.63 4.60 2.07 -1.12 -2.48 116.25 120.13 2jg0 h VAL 524 Ca 0.07 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.55 2jg0 h VAL 524 Cb 0.17 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2jg0 h VAL 524 CO -0.01 0.39 0.38 0.74 0.02 0.00 0.00 177.57 179.09 2jg0 h THR 525 N 0.86 1.04 -0.53 2.57 2.02 -0.86 -0.36 112.91 117.64 2jg0 h THR 525 Ca 0.16 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 2jg0 h THR 525 Cb 0.50 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2jg0 h THR 525 CO 0.02 0.13 0.22 0.25 0.37 0.00 0.00 175.52 176.51 2jg0 h LEU 526 N 0.73 0.73 -0.32 2.58 5.85 -1.18 0.21 115.31 123.91 2jg0 h LEU 526 Ca 0.26 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2jg0 h LEU 526 Cb 0.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2jg0 h LEU 526 CO -0.13 0.70 0.21 0.11 -0.34 0.00 0.00 178.44 178.99 2jg0 h LYS 527 N 0.72 0.42 -0.41 1.25 1.79 -1.04 -2.50 116.57 116.81 2jg0 h LYS 527 Ca 0.18 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.51 2jg0 h LYS 527 Cb 0.19 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2jg0 h LYS 527 CO -0.02 0.28 -0.22 0.52 -1.08 0.00 0.00 179.45 178.93 2jg0 h MET 528 N 0.43 0.81 -1.00 3.15 2.86 -0.80 -2.41 114.93 117.98 2jg0 h MET 528 Ca 0.12 -0.33 0.11 0.00 -2.06 0.00 0.00 59.70 57.54 2jg0 h MET 528 Cb -0.05 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.49 2jg0 h MET 528 CO -0.02 0.95 0.63 -0.07 1.06 0.00 0.00 176.91 179.46 2jg0 h LEU 529 N 0.71 0.93 -0.95 1.22 3.38 -0.45 -1.10 115.31 119.05 2jg0 h LEU 529 Ca 0.10 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2jg0 h LEU 529 Cb 0.74 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2jg0 h LEU 529 CO 0.06 0.52 -0.22 0.44 0.09 0.00 0.00 178.44 179.33 2jg0 h ASP 530 N 1.01 0.51 0.27 -0.43 5.19 -1.03 -3.08 116.42 118.88 2jg0 h ASP 530 Ca 0.48 -0.17 -0.10 0.00 -0.62 0.00 0.00 57.03 56.63 2jg0 h ASP 530 Cb 0.44 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2jg0 h ASP 530 CO -0.24 0.74 -0.39 0.25 -3.12 0.00 0.00 179.24 176.47 2jg0 h LEU 531 N 0.46 0.17 0.00 1.55 7.12 -0.77 -3.32 115.31 120.52 2jg0 h LEU 531 Ca 0.07 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2jg0 h LEU 531 Cb 0.63 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.72 2jg0 h LEU 531 CO 0.05 0.55 -1.03 2.30 -0.13 0.00 0.00 178.44 180.17 2jg0 n ILE 532 N -4.05 0.44 -4.36 4.05 -5.35 -0.67 -4.88 119.36 104.53 2jg0 n ILE 532 Ca -0.01 -0.44 -0.26 0.00 -0.27 0.00 0.00 62.75 61.76 2jg0 n ILE 532 Cb 0.45 -0.17 -0.13 0.00 -1.74 0.00 0.00 39.64 38.05 2jg0 n ILE 532 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jg0 h PRO 534 N 4.07 0.08 0.00 0.00 0.11 -1.86 -3.46 132.00 130.93 2jg0 h PRO 534 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jg0 h PRO 534 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jg0 h PRO 534 CO 0.40 0.05 0.00 0.36 -0.21 0.00 0.00 178.00 178.60 2jg0 n LYS 535 N -5.34 0.00 0.07 1.05 0.00 -1.26 -4.61 118.16 108.06 2jg0 n LYS 535 Ca 0.27 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.69 2jg0 n LYS 535 Cb 0.88 -0.07 0.46 0.00 -0.00 0.00 0.00 35.03 36.30 2jg0 n LYS 535 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2jg0 n GLU 536 N -0.23 0.13 -2.94 -1.58 0.28 -1.26 -4.15 120.64 110.90 2jg0 n GLU 536 Ca 0.00 0.24 -0.15 0.00 -0.16 0.00 0.00 57.16 57.09 2jg0 n GLU 536 Cb 0.00 -1.70 0.00 0.00 1.43 0.00 0.00 31.44 31.18 2jg0 n GLU 536 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2jg0 n GLN 537 N -1.94 0.79 -2.32 3.44 6.02 -1.26 -5.14 117.38 116.96 2jg0 n GLN 537 Ca 0.04 -2.39 -0.35 0.00 -0.01 0.00 0.00 57.00 54.30 2jg0 n GLN 537 Cb 0.30 -1.35 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 2jg0 n GLN 537 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2jg0 s PRO 538 N -0.21 3.46 -0.09 -1.09 0.04 -1.26 -3.90 135.00 131.95 2jg0 s PRO 538 Ca 0.33 1.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 2jg0 s PRO 538 Cb 0.22 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2jg0 s PRO 538 CO -0.17 -0.75 0.12 0.00 0.04 0.00 0.00 177.00 176.24 2jg0 n ASP 540 N 1.82 0.95 -4.28 0.00 8.00 -1.26 -4.92 116.55 116.87 2jg0 n ASP 540 Ca -0.18 -0.45 -0.19 0.00 0.71 0.00 0.00 54.79 54.68 2jg0 n ASP 540 Cb 0.54 1.37 -0.11 0.00 -0.02 0.00 0.00 41.12 42.91 2jg0 n ASP 540 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2jg0 s ASN 541 N -3.22 2.21 -0.04 -2.24 0.01 -1.26 -1.44 114.94 108.96 2jg0 s ASN 541 Ca 0.00 -0.86 -0.30 0.00 -0.71 0.00 0.00 52.86 50.99 2jg0 s ASN 541 Cb 0.12 -0.09 -0.05 0.00 0.41 0.00 0.00 41.25 41.64 2jg0 s ASN 541 CO 0.69 -0.14 1.41 -0.69 -1.51 0.00 0.00 177.10 176.86 2jg0 s VAL 542 N -2.30 3.82 0.68 1.60 1.01 -1.26 -4.99 120.40 118.96 2jg0 s VAL 542 Ca 0.13 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 2jg0 s VAL 542 Cb -0.04 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 2jg0 s VAL 542 CO 0.04 -0.03 1.06 -2.16 0.00 0.00 0.00 175.10 174.01 2jg0 s PRO 543 N 2.84 3.05 0.22 2.72 0.04 -1.26 -4.95 135.00 137.66 2jg0 s PRO 543 Ca 0.63 0.75 0.26 0.00 0.04 0.00 0.00 61.00 62.69 2jg0 s PRO 543 Cb -0.30 -2.02 0.79 0.00 0.04 0.00 0.00 34.50 33.02 2jg0 s PRO 543 CO 0.25 -0.96 1.77 0.00 0.04 0.00 0.00 177.00 178.09 2jg0 h ALA 544 N -0.61 1.00 -3.57 8.56 0.00 -2.04 -3.44 119.26 119.16 2jg0 h ALA 544 Ca -0.44 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 53.99 2jg0 h ALA 544 Cb 1.22 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.68 2jg0 h ALA 544 CO 0.60 0.00 -0.80 0.99 0.00 0.00 0.00 179.25 180.04 2jg0 s THR 545 N -3.11 0.97 0.01 0.00 2.01 -1.26 -5.10 115.64 109.16 2jg0 s THR 545 Ca 0.10 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 2jg0 s THR 545 Cb 0.12 -0.89 -0.07 0.00 0.01 0.00 0.00 72.50 71.67 2jg0 s THR 545 CO 0.60 0.31 1.75 -0.60 -0.69 0.00 0.00 174.62 175.99 2jg0 s ARG 546 N 0.53 4.17 0.00 4.92 3.00 -1.26 -5.16 118.95 125.15 2jg0 s ARG 546 Ca -0.10 2.36 0.00 0.00 -1.00 0.00 0.00 55.73 56.99 2jg0 s ARG 546 Cb -0.13 -3.94 0.00 0.00 0.00 0.00 0.00 34.95 30.88 2jg0 s ARG 546 CO 0.02 -0.85 0.25 -2.30 0.00 0.00 0.00 175.30 172.42