#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgm s GLY 34 N 0.00 3.01 0.00 0.00 0.00 0.37 -4.94 107.32 105.76 1jgm s GLY 34 Ca 0.00 1.21 0.27 0.00 0.00 0.00 0.00 44.72 46.20 1jgm s GLY 34 CO 0.00 1.86 1.63 2.09 0.00 0.00 0.00 173.10 178.68 1jgm n ASP 35 N 0.86 0.89 -4.01 1.64 5.75 -1.26 -4.48 116.55 115.94 1jgm n ASP 35 Ca -0.00 -0.80 -0.13 0.00 -0.01 0.00 0.00 54.79 53.85 1jgm n ASP 35 Cb 0.42 0.09 -0.12 0.00 -1.03 0.00 0.00 41.12 40.47 1jgm n ASP 35 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jgm s ARG 36 N -2.51 0.43 -0.16 0.11 0.52 -1.26 -3.13 118.95 112.96 1jgm s ARG 36 Ca 0.25 -0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 54.93 1jgm s ARG 36 Cb 0.19 -0.26 -0.02 0.00 0.52 0.00 0.00 34.95 35.39 1jgm s ARG 36 CO 0.51 0.05 -0.09 0.42 0.02 0.00 0.00 175.30 176.22 1jgm s ILE 37 N -0.90 3.32 0.08 1.52 1.01 -0.17 -4.45 121.20 121.61 1jgm s ILE 37 Ca -0.06 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 1jgm s ILE 37 Cb -0.07 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 1jgm s ILE 37 CO 0.00 0.49 1.08 0.20 0.00 0.00 0.00 174.94 176.71 1jgm s ASN 38 N 0.64 7.27 0.37 3.58 0.02 -1.26 -0.59 114.94 124.97 1jgm s ASN 38 Ca -0.05 1.90 0.04 0.00 -1.02 0.00 0.00 52.86 53.73 1jgm s ASN 38 Cb -0.15 -2.58 -0.05 0.00 0.02 0.00 0.00 41.25 38.49 1jgm s ASN 38 CO 0.03 -0.29 0.08 0.42 0.02 0.00 0.00 177.10 177.35 1jgm s THR 39 N 0.55 1.02 -0.82 1.60 -4.23 -0.30 -4.32 115.64 109.14 1jgm s THR 39 Ca 0.53 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.20 1jgm s THR 39 Cb -0.26 -2.61 0.15 0.00 1.34 0.00 0.00 72.50 71.12 1jgm s THR 39 CO 0.30 0.00 1.51 1.33 -0.54 0.00 0.00 174.62 177.22 1jgm n VAL 40 N -0.81 1.03 0.09 2.29 0.24 -0.08 -1.17 118.33 119.93 1jgm n VAL 40 Ca -0.05 0.28 0.07 0.00 -2.04 0.00 0.00 64.34 62.61 1jgm n VAL 40 Cb 0.66 -1.12 0.15 0.00 -1.47 0.00 0.00 33.84 32.06 1jgm n VAL 40 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1jgm n ARG 41 N -1.74 2.16 0.00 7.34 1.74 -1.26 -4.76 116.66 120.14 1jgm n ARG 41 Ca 0.03 -1.91 0.00 0.00 -0.77 0.00 0.00 57.85 55.19 1jgm n ARG 41 Cb 0.17 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1jgm n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jgm n GLY 42 N 0.85 -0.13 3.77 -0.13 0.00 -0.32 -5.04 105.19 104.19 1jgm n GLY 42 Ca 0.13 -2.28 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 1jgm n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jgm s PRO 43 N -0.46 4.25 0.20 1.61 0.04 -1.26 -1.15 135.00 138.23 1jgm s PRO 43 Ca 0.00 1.86 0.09 0.00 0.04 0.00 0.00 61.00 62.99 1jgm s PRO 43 Cb 0.00 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 1jgm s PRO 43 CO 0.00 -0.16 -0.17 0.96 0.04 0.00 0.00 177.00 177.67 1jgm s ILE 44 N -1.33 1.93 0.57 0.56 -4.36 0.25 -4.92 121.20 113.89 1jgm s ILE 44 Ca 0.53 -2.13 -0.09 0.00 -0.26 0.00 0.00 60.65 58.70 1jgm s ILE 44 Cb -0.32 -2.02 -0.03 0.00 1.25 0.00 0.00 42.46 41.34 1jgm s ILE 44 CO 0.40 -0.43 0.93 0.42 0.24 0.00 0.00 174.94 176.50 1jgm s THR 45 N -2.48 4.69 0.27 8.37 -4.23 -1.26 -1.00 115.64 119.99 1jgm s THR 45 Ca 0.21 0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 61.27 1jgm s THR 45 Cb -0.04 -3.83 0.25 0.00 1.34 0.00 0.00 72.50 70.22 1jgm s THR 45 CO 0.08 -0.98 1.76 0.40 -0.54 0.00 0.00 174.62 175.34 1jgm h ILE 46 N -0.12 0.72 0.00 2.99 1.08 -1.89 -0.36 117.51 119.94 1jgm h ILE 46 Ca -0.45 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 63.77 1jgm h ILE 46 Cb 1.20 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1jgm h ILE 46 CO 0.62 0.11 -0.16 0.77 -0.69 0.00 0.00 178.15 178.81 1jgm h SER 47 N 0.63 0.00 1.13 1.72 4.64 -1.92 -2.50 113.55 117.24 1jgm h SER 47 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1jgm h SER 47 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1jgm h SER 47 CO -0.37 0.16 0.00 -0.33 -0.87 0.00 0.00 176.83 175.42 1jgm h GLU 48 N 0.00 0.00 -0.60 4.77 5.08 -1.42 -3.23 114.58 119.18 1jgm h GLU 48 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1jgm h GLU 48 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1jgm h GLU 48 CO 0.02 0.00 0.33 0.00 -1.00 0.00 0.00 179.01 178.36 1jgm h ALA 49 N 2.09 0.77 -0.75 3.43 0.00 -1.44 -3.47 119.26 119.89 1jgm h ALA 49 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jgm h ALA 49 Cb 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jgm h ALA 49 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1jgm n GLY 50 N -1.04 0.97 3.63 0.00 0.00 -1.22 -3.78 105.19 103.74 1jgm n GLY 50 Ca 0.04 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1jgm n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jgm n PHE 51 N 0.00 2.28 -4.93 1.61 -0.00 -1.26 -4.56 117.46 110.60 1jgm n PHE 51 Ca 0.00 -0.27 -0.27 0.00 -0.00 0.00 0.00 57.45 56.91 1jgm n PHE 51 Cb 0.00 -2.77 -0.16 0.00 -0.00 0.00 0.00 39.48 36.55 1jgm n PHE 51 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1jgm s THR 52 N 6.07 1.55 -0.36 -2.13 2.01 -0.65 -0.60 115.64 121.52 1jgm s THR 52 Ca 0.94 -0.80 -0.17 0.00 0.31 0.00 0.00 61.69 61.97 1jgm s THR 52 Cb -0.40 -1.31 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 1jgm s THR 52 CO 0.39 0.44 0.45 -0.76 -0.69 0.00 0.00 174.62 174.45 1jgm s LEU 53 N -0.17 4.48 0.00 4.42 1.43 -0.61 -4.88 118.68 123.35 1jgm s LEU 53 Ca 0.00 -0.23 0.29 0.00 -1.03 0.00 0.00 54.13 53.16 1jgm s LEU 53 Cb -0.10 -2.46 1.27 0.00 0.03 0.00 0.00 46.19 44.92 1jgm s LEU 53 CO 0.01 -0.45 1.87 0.35 0.23 0.00 0.00 176.35 178.36 1jgm n THR 54 N 5.37 0.00 -3.35 5.49 -2.24 -1.25 -0.85 114.28 117.44 1jgm n THR 54 Ca -0.07 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 1jgm n THR 54 Cb 0.49 0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 1jgm n THR 54 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1jgm s HIS 55 N -2.18 -0.57 0.34 4.78 5.65 -1.25 -4.67 115.29 117.39 1jgm s HIS 55 Ca 0.36 -0.31 -0.01 0.00 0.25 0.00 0.00 55.06 55.35 1jgm s HIS 55 Cb 0.21 -0.34 -0.00 0.00 -1.18 0.00 0.00 32.58 31.27 1jgm s HIS 55 CO 0.40 -0.97 0.45 -1.21 -0.65 0.00 0.00 174.74 172.76 1jgm s GLU 56 N 2.00 1.90 -0.03 2.88 0.41 -0.55 -1.17 118.70 124.13 1jgm s GLU 56 Ca 0.13 -1.80 -0.14 0.00 -0.41 0.00 0.00 54.97 52.75 1jgm s GLU 56 Cb -0.14 0.43 0.03 0.00 -1.78 0.00 0.00 34.13 32.67 1jgm s GLU 56 CO -0.19 -0.78 0.32 -1.01 -0.49 0.00 0.00 175.26 173.11 1jgm s HIS 57 N -3.08 -0.22 -0.06 1.61 3.76 -0.25 -1.35 115.29 115.71 1jgm s HIS 57 Ca 0.32 0.39 -0.21 0.00 -0.15 0.00 0.00 55.06 55.41 1jgm s HIS 57 Cb -0.00 0.10 -0.31 0.00 1.11 0.00 0.00 32.58 33.49 1jgm s HIS 57 CO 0.21 -0.35 0.83 0.82 -0.85 0.00 0.00 174.74 175.40 1jgm h ILE 58 N 3.99 1.41 -2.79 0.60 1.08 -1.94 -3.31 117.51 116.56 1jgm h ILE 58 Ca -0.29 -2.51 -0.15 0.00 -0.39 0.00 0.00 64.86 61.52 1jgm h ILE 58 Cb 1.18 3.10 -0.28 0.00 -3.07 0.00 0.00 36.82 37.75 1jgm h ILE 58 CO 0.38 0.71 -0.37 0.00 -0.69 0.00 0.00 178.15 178.19 1jgm s GLY 60 N 1.33 1.86 0.00 0.00 0.00 0.04 -4.75 107.32 105.80 1jgm s GLY 60 Ca -0.09 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 42.70 1jgm s GLY 60 CO -0.11 1.35 0.00 -1.26 0.00 0.00 0.00 173.10 173.08 1jgm n SER 61 N 5.88 0.28 -4.03 1.64 2.88 0.64 -0.11 113.62 120.79 1jgm n SER 61 Ca -0.09 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.36 1jgm n SER 61 Cb 0.44 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.80 1jgm n SER 61 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1jgm s SER 62 N 1.07 0.41 0.13 -3.46 0.01 -1.20 -3.88 113.70 106.78 1jgm s SER 62 Ca 0.00 -0.69 -0.35 0.00 1.31 0.00 0.00 55.95 56.22 1jgm s SER 62 Cb 0.00 0.13 -0.15 0.00 0.21 0.00 0.00 66.02 66.21 1jgm s SER 62 CO 0.00 -0.40 1.48 0.00 0.41 0.00 0.00 173.24 174.73 1jgm n ALA 63 N 1.02 0.40 -0.02 1.44 0.00 -1.24 -1.61 120.51 120.50 1jgm n ALA 63 Ca -0.20 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1jgm n ALA 63 Cb 0.57 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1jgm n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgm n GLY 64 N 3.05 1.73 0.16 0.00 0.00 -1.26 -4.90 105.19 103.98 1jgm n GLY 64 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1jgm n GLY 64 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jgm h PHE 65 N 0.00 -0.30 -0.83 1.61 3.04 -1.66 0.46 116.94 119.25 1jgm h PHE 65 Ca 0.00 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.04 1jgm h PHE 65 Cb 0.00 0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.55 1jgm h PHE 65 CO 0.00 -0.10 0.54 1.25 -2.02 0.00 0.00 178.31 177.98 1jgm h LEU 66 N -0.46 0.71 -0.12 0.59 5.85 -1.86 0.16 115.31 120.17 1jgm h LEU 66 Ca -0.03 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 1jgm h LEU 66 Cb 0.34 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1jgm h LEU 66 CO 0.05 0.42 -0.77 0.03 -0.34 0.00 0.00 178.44 177.84 1jgm h ARG 67 N 0.78 0.00 0.00 1.25 3.08 -1.91 -2.58 114.38 115.00 1jgm h ARG 67 Ca 0.38 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.36 1jgm h ARG 67 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1jgm h ARG 67 CO -0.15 0.77 -1.09 0.00 -1.07 0.00 0.00 179.97 178.42 1jgm h ALA 68 N 1.23 0.59 -1.64 0.04 0.00 0.08 -3.41 119.26 116.15 1jgm h ALA 68 Ca -0.01 -0.35 -0.44 0.00 0.00 0.00 0.00 54.91 54.11 1jgm h ALA 68 Cb 1.53 0.11 -0.36 0.00 0.00 0.00 0.00 17.79 19.07 1jgm h ALA 68 CO 0.10 0.39 -1.08 1.87 0.00 0.00 0.00 179.25 180.53 1jgm n TRP 69 N -2.81 -0.24 0.23 0.00 -0.00 0.46 -4.95 117.44 110.13 1jgm n TRP 69 Ca -0.03 -3.51 0.12 0.00 -0.00 0.00 0.00 57.50 54.08 1jgm n TRP 69 Cb 0.67 -0.10 0.72 0.00 -0.00 0.00 0.00 31.31 32.60 1jgm n TRP 69 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1jgm h PRO 70 N 2.99 0.00 0.00 5.87 0.13 -1.63 -1.55 132.00 137.82 1jgm h PRO 70 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1jgm h PRO 70 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1jgm h PRO 70 CO 0.44 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.14 1jgm h GLU 71 N 0.00 0.00 0.00 0.86 3.07 -1.88 0.09 114.58 116.72 1jgm h GLU 71 Ca 0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1jgm h GLU 71 Cb 0.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1jgm h GLU 71 CO -0.00 0.00 -0.04 0.35 -1.40 0.00 0.00 179.01 177.92 1jgm h PHE 72 N 0.00 0.00 -0.42 4.33 3.57 -1.68 -0.61 116.94 122.13 1jgm h PHE 72 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1jgm h PHE 72 Cb 0.10 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1jgm h PHE 72 CO 0.00 0.04 0.04 1.19 -2.23 0.00 0.00 178.31 177.36 1jgm n PHE 73 N -3.82 1.45 0.00 0.41 3.01 0.01 -4.95 117.46 113.58 1jgm n PHE 73 Ca -0.03 -1.00 0.00 0.00 1.01 0.00 0.00 57.45 57.44 1jgm n PHE 73 Cb 0.13 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 1jgm n PHE 73 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jgm n GLY 74 N -0.32 2.02 3.57 1.37 0.00 -0.24 -4.29 105.19 107.30 1jgm n GLY 74 Ca 0.28 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 1jgm n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jgm s SER 75 N 0.00 -0.29 0.22 1.61 1.04 -1.21 -4.29 113.70 110.79 1jgm s SER 75 Ca 0.00 -0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.29 1jgm s SER 75 Cb 0.00 0.36 0.20 0.00 0.10 0.00 0.00 66.02 66.68 1jgm s SER 75 CO 0.00 -0.61 1.75 -0.09 0.98 0.00 0.00 173.24 175.27 1jgm h ARG 76 N 2.00 1.06 -0.75 4.02 2.43 -1.87 -1.44 114.38 119.83 1jgm h ARG 76 Ca -0.21 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 1jgm h ARG 76 Cb 1.23 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1jgm h ARG 76 CO 0.29 0.93 0.31 -0.22 -1.51 0.00 0.00 179.97 179.77 1jgm h LYS 77 N 1.01 1.12 -0.70 0.20 3.64 -1.95 0.66 116.57 120.55 1jgm h LYS 77 Ca 0.21 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1jgm h LYS 77 Cb 0.34 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1jgm h LYS 77 CO -0.00 0.91 0.25 0.00 -2.27 0.00 0.00 179.45 178.34 1jgm h ALA 78 N 1.15 0.92 -0.37 5.00 0.00 -1.78 -0.18 119.26 124.00 1jgm h ALA 78 Ca 0.25 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1jgm h ALA 78 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jgm h ALA 78 CO -0.02 0.57 0.04 1.25 0.00 0.00 0.00 179.25 181.09 1jgm h LEU 79 N 1.02 0.61 -0.67 0.00 5.85 -0.89 -0.84 115.31 120.40 1jgm h LEU 79 Ca 0.23 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1jgm h LEU 79 Cb 0.26 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1jgm h LEU 79 CO -0.01 0.74 0.42 0.00 -0.34 0.00 0.00 178.44 179.24 1jgm h ALA 80 N 0.89 0.85 -0.65 1.25 0.00 -0.56 -0.46 119.26 120.58 1jgm h ALA 80 Ca 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jgm h ALA 80 Cb 0.40 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1jgm h ALA 80 CO 0.01 0.31 0.27 0.93 0.00 0.00 0.00 179.25 180.77 1jgm h GLU 81 N 0.91 0.98 -0.62 0.00 5.08 -0.91 0.20 114.58 120.21 1jgm h GLU 81 Ca 0.24 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1jgm h GLU 81 Cb -0.05 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1jgm h GLU 81 CO -0.05 0.81 0.25 -0.22 -1.00 0.00 0.00 179.01 178.81 1jgm h LYS 82 N 0.92 0.92 -0.70 2.33 3.64 -0.79 -0.34 116.57 122.55 1jgm h LYS 82 Ca 0.22 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1jgm h LYS 82 Cb 0.20 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1jgm h LYS 82 CO -0.02 0.78 0.16 0.00 -2.27 0.00 0.00 179.45 178.10 1jgm h ALA 83 N 1.10 0.93 -0.37 5.00 0.00 -0.69 -1.24 119.26 123.98 1jgm h ALA 83 Ca 0.21 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1jgm h ALA 83 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jgm h ALA 83 CO -0.02 0.67 0.05 0.28 0.00 0.00 0.00 179.25 180.23 1jgm h VAL 84 N 1.07 1.24 -0.18 0.00 2.07 -0.14 0.18 116.25 120.48 1jgm h VAL 84 Ca 0.22 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1jgm h VAL 84 Cb 0.39 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1jgm h VAL 84 CO 0.01 0.29 -0.00 0.03 0.02 0.00 0.00 177.57 177.92 1jgm h ARG 85 N 0.46 0.06 -0.24 1.57 3.08 -0.82 -0.32 114.38 118.17 1jgm h ARG 85 Ca 0.11 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1jgm h ARG 85 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1jgm h ARG 85 CO 0.01 0.04 0.14 0.78 -1.07 0.00 0.00 179.97 179.86 1jgm h GLY 86 N 0.06 0.35 1.10 0.04 0.00 -1.06 -1.24 103.07 102.31 1jgm h GLY 86 Ca 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1jgm h GLY 86 CO -0.15 0.14 0.44 1.41 0.00 0.00 0.00 176.54 178.39 1jgm h LEU 87 N 0.29 1.05 -0.73 3.11 3.38 -0.48 -0.23 115.31 121.70 1jgm h LEU 87 Ca 0.08 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1jgm h LEU 87 Cb 0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1jgm h LEU 87 CO -0.01 0.86 0.21 0.03 0.09 0.00 0.00 178.44 179.62 1jgm h ARG 88 N 1.17 1.14 -0.34 1.13 3.08 -0.74 0.22 114.38 120.04 1jgm h ARG 88 Ca 0.29 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1jgm h ARG 88 Cb 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1jgm h ARG 88 CO -0.04 0.98 -0.36 0.00 -1.07 0.00 0.00 179.97 179.47 1jgm h ARG 89 N 1.08 0.80 -0.56 0.04 3.08 -0.94 0.68 114.38 118.57 1jgm h ARG 89 Ca 0.23 -0.40 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 1jgm h ARG 89 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1jgm h ARG 89 CO -0.00 1.03 -0.05 0.00 -1.07 0.00 0.00 179.97 179.88 1jgm h ALA 90 N 0.92 0.85 -0.72 0.04 0.00 -0.73 -1.81 119.26 117.82 1jgm h ALA 90 Ca 0.06 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1jgm h ALA 90 Cb 0.92 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1jgm h ALA 90 CO 0.08 0.66 0.20 -0.09 0.00 0.00 0.00 179.25 180.10 1jgm h ARG 91 N 0.91 1.15 -0.79 0.00 2.43 -0.28 -1.06 114.38 116.75 1jgm h ARG 91 Ca 0.16 -0.26 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1jgm h ARG 91 Cb 0.59 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 1jgm h ARG 91 CO 0.04 1.00 0.52 0.00 -1.51 0.00 0.00 179.97 180.01 1jgm h ALA 92 N 1.10 1.63 -0.01 2.80 0.00 -0.53 0.59 119.26 124.83 1jgm h ALA 92 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jgm h ALA 92 Cb 0.35 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jgm h ALA 92 CO -0.00 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1jgm n ALA 93 N -2.43 2.58 0.00 0.00 0.00 -0.71 -4.88 120.51 115.07 1jgm n ALA 93 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jgm n ALA 93 Cb 0.21 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1jgm n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgm n GLY 94 N 0.75 0.46 3.70 0.00 0.00 0.20 -4.82 105.19 105.48 1jgm n GLY 94 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1jgm n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgm s VAL 95 N -2.00 4.21 -0.16 1.61 1.01 -0.47 -4.54 120.40 120.07 1jgm s VAL 95 Ca 0.00 1.57 0.15 0.00 0.00 0.00 0.00 61.98 63.70 1jgm s VAL 95 Cb 0.00 -4.01 -0.21 0.00 0.00 0.00 0.00 36.38 32.17 1jgm s VAL 95 CO 0.00 0.06 0.07 0.54 0.00 0.00 0.00 175.10 175.78 1jgm n ARG 96 N 4.53 1.28 -3.86 2.72 5.12 0.23 -4.05 116.66 122.62 1jgm n ARG 96 Ca 0.10 -0.02 -0.11 0.00 -1.93 0.00 0.00 57.85 55.89 1jgm n ARG 96 Cb 0.47 -1.42 -0.10 0.00 -1.16 0.00 0.00 32.46 30.24 1jgm n ARG 96 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1jgm s THR 97 N -2.44 0.07 0.10 0.55 2.01 -0.98 -1.55 115.64 113.41 1jgm s THR 97 Ca -0.08 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.40 1jgm s THR 97 Cb 0.05 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 1jgm s THR 97 CO 0.68 -0.32 -0.15 0.27 -0.69 0.00 0.00 174.62 174.40 1jgm s ILE 98 N -1.14 1.31 -0.29 1.82 -4.36 0.01 -1.57 121.20 116.97 1jgm s ILE 98 Ca -0.12 -1.49 -0.05 0.00 -0.26 0.00 0.00 60.65 58.72 1jgm s ILE 98 Cb -0.07 -1.33 0.02 0.00 1.25 0.00 0.00 42.46 42.34 1jgm s ILE 98 CO 0.01 -0.26 0.05 -0.69 0.24 0.00 0.00 174.94 174.29 1jgm s VAL 99 N -1.55 3.61 -0.56 8.37 1.01 -0.03 -1.31 120.40 129.95 1jgm s VAL 99 Ca 0.03 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 1jgm s VAL 99 Cb -0.08 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.45 1jgm s VAL 99 CO 0.03 0.06 0.83 -0.62 0.00 0.00 0.00 175.10 175.40 1jgm s ASP 100 N 1.43 6.27 -0.08 3.32 3.68 0.12 -1.48 116.67 129.93 1jgm s ASP 100 Ca 0.01 -0.69 0.02 0.00 2.13 0.00 0.00 52.55 54.02 1jgm s ASP 100 Cb -0.18 -2.38 0.18 0.00 -1.45 0.00 0.00 42.92 39.09 1jgm s ASP 100 CO 0.01 -1.15 0.98 1.33 0.13 0.00 0.00 175.17 176.46 1jgm n VAL 101 N 5.93 1.02 -2.53 1.11 0.24 -0.45 -3.10 118.33 120.55 1jgm n VAL 101 Ca -0.02 -0.38 -0.43 0.00 -2.04 0.00 0.00 64.34 61.47 1jgm n VAL 101 Cb 0.46 -0.63 -0.02 0.00 -1.47 0.00 0.00 33.84 32.18 1jgm n VAL 101 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1jgm s SER 102 N 0.10 7.02 0.75 -1.34 0.01 -1.26 -4.94 113.70 114.04 1jgm s SER 102 Ca 0.13 1.56 -0.01 0.00 1.31 0.00 0.00 55.95 58.94 1jgm s SER 102 Cb 0.10 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.94 1jgm s SER 102 CO 0.03 -0.71 1.00 0.35 0.41 0.00 0.00 173.24 174.32 1jgm n THR 103 N 5.29 0.00 -0.17 1.44 -2.24 -1.26 -4.28 114.28 113.06 1jgm n THR 103 Ca 0.13 -1.49 -0.03 0.00 -2.27 0.00 0.00 64.05 60.39 1jgm n THR 103 Cb 0.45 -0.95 0.04 0.00 -2.10 0.00 0.00 70.33 67.77 1jgm n THR 103 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1jgm h PHE 104 N -0.69 -0.38 0.00 4.78 3.57 -1.85 -0.52 116.94 121.85 1jgm h PHE 104 Ca -0.33 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1jgm h PHE 104 Cb 1.19 0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.18 1jgm h PHE 104 CO 0.00 -0.26 0.00 -0.40 -2.23 0.00 0.00 178.31 175.42 1jgm n ASP 105 N -5.39 0.00 -0.65 0.41 3.85 -1.26 -0.96 116.55 112.54 1jgm n ASP 105 Ca 0.05 0.40 0.12 0.00 -0.71 0.00 0.00 54.79 54.65 1jgm n ASP 105 Cb 0.30 -0.46 0.37 0.00 -1.35 0.00 0.00 41.12 39.98 1jgm n ASP 105 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 1jgm n ILE 106 N -1.46 0.14 -1.57 2.12 5.41 -0.25 -4.01 119.36 119.74 1jgm n ILE 106 Ca 0.05 -0.38 -0.04 0.00 1.00 0.00 0.00 62.75 63.38 1jgm n ILE 106 Cb 0.20 0.65 -0.01 0.00 -0.71 0.00 0.00 39.64 39.77 1jgm n ILE 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jgm n GLY 107 N 1.22 0.46 3.60 7.39 0.00 -0.14 -0.26 105.19 117.47 1jgm n GLY 107 Ca 0.17 -0.81 -0.51 0.00 0.00 0.00 0.00 46.02 44.87 1jgm n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jgm n ARG 108 N -2.19 1.27 -3.89 1.61 0.63 -0.91 -4.71 116.66 108.47 1jgm n ARG 108 Ca -0.04 0.46 -0.30 0.00 -0.92 0.00 0.00 57.85 57.04 1jgm n ARG 108 Cb 0.32 -2.12 -0.14 0.00 0.45 0.00 0.00 32.46 30.98 1jgm n ARG 108 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1jgm s ASP 109 N 0.54 4.19 0.49 6.15 -1.08 -1.26 -4.89 116.67 120.81 1jgm s ASP 109 Ca 0.84 -2.81 0.19 0.00 -0.52 0.00 0.00 52.55 50.24 1jgm s ASP 109 Cb -0.92 -1.48 1.23 0.00 -1.46 0.00 0.00 42.92 40.29 1jgm s ASP 109 CO 0.46 -0.26 2.04 -0.37 0.52 0.00 0.00 175.17 177.56 1jgm h VAL 110 N 5.56 0.87 -0.76 1.11 -1.51 -1.98 -0.71 116.25 118.83 1jgm h VAL 110 Ca -0.06 -0.05 -0.03 0.00 -1.23 0.00 0.00 66.70 65.33 1jgm h VAL 110 Cb 0.91 0.71 -0.03 0.00 -2.13 0.00 0.00 31.29 30.75 1jgm h VAL 110 CO 0.62 0.03 0.36 0.28 -1.23 0.00 0.00 177.57 177.63 1jgm h SER 111 N 0.14 0.99 -0.52 4.19 0.02 -1.99 0.15 113.55 116.54 1jgm h SER 111 Ca 0.19 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1jgm h SER 111 Cb 0.55 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1jgm h SER 111 CO -0.02 0.85 0.13 0.25 -1.14 0.00 0.00 176.83 176.90 1jgm h LEU 112 N 1.07 0.77 -0.35 5.07 5.85 -1.59 -0.55 115.31 125.58 1jgm h LEU 112 Ca 0.26 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1jgm h LEU 112 Cb 0.12 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1jgm h LEU 112 CO -0.03 0.80 0.21 -0.07 -0.34 0.00 0.00 178.44 179.01 1jgm h LEU 113 N 0.71 0.35 -0.57 2.25 4.07 -0.77 -0.84 115.31 120.52 1jgm h LEU 113 Ca 0.16 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 1jgm h LEU 113 Cb 0.32 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 1jgm h LEU 113 CO -0.00 0.26 0.34 0.00 -1.08 0.00 0.00 178.44 177.96 1jgm h ALA 114 N 1.15 0.73 -0.07 1.53 0.00 -0.45 0.37 119.26 122.51 1jgm h ALA 114 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jgm h ALA 114 Cb -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1jgm h ALA 114 CO -0.05 0.22 0.05 1.49 0.00 0.00 0.00 179.25 180.95 1jgm h GLU 115 N 0.78 0.10 -0.14 0.00 4.81 -0.76 -1.73 114.58 117.64 1jgm h GLU 115 Ca 0.21 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 1jgm h GLU 115 Cb -0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1jgm h GLU 115 CO -0.04 0.09 -0.49 -0.39 -0.73 0.00 0.00 179.01 177.45 1jgm h VAL 116 N 0.08 1.33 -0.22 0.32 -1.51 -1.02 -0.97 116.25 114.26 1jgm h VAL 116 Ca 0.03 -1.71 -0.00 0.00 -1.23 0.00 0.00 66.70 63.78 1jgm h VAL 116 Cb 0.01 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 1jgm h VAL 116 CO -0.01 0.52 0.14 -1.28 -1.23 0.00 0.00 177.57 175.71 1jgm h SER 117 N 0.28 0.26 -0.27 4.19 0.87 -0.76 0.01 113.55 118.13 1jgm h SER 117 Ca 0.01 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1jgm h SER 117 Cb 0.97 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1jgm h SER 117 CO 0.08 0.22 0.06 0.03 -0.53 0.00 0.00 176.83 176.69 1jgm h ARG 118 N 0.28 0.44 -0.43 2.24 3.08 -1.17 0.18 114.38 118.99 1jgm h ARG 118 Ca 0.08 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1jgm h ARG 118 Cb 0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1jgm h ARG 118 CO -0.02 0.54 -0.11 0.00 -1.07 0.00 0.00 179.97 179.32 1jgm h ALA 119 N 0.88 1.00 0.00 0.04 0.00 -1.03 -3.14 119.26 117.02 1jgm h ALA 119 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1jgm h ALA 119 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jgm h ALA 119 CO 0.00 0.60 -0.78 0.00 0.00 0.00 0.00 179.25 179.07 1jgm n ALA 120 N -2.49 3.61 -3.27 0.00 0.00 -0.02 -4.98 120.51 113.36 1jgm n ALA 120 Ca 0.01 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 52.90 1jgm n ALA 120 Cb 0.36 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 18.87 1jgm n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jgm n ASP 121 N -1.73 -4.95 -4.02 0.00 2.03 0.60 -4.68 116.55 103.81 1jgm n ASP 121 Ca 0.04 -0.66 -0.23 0.00 0.52 0.00 0.00 54.79 54.46 1jgm n ASP 121 Cb 0.38 -5.05 -0.16 0.00 -0.72 0.00 0.00 41.12 35.57 1jgm n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1jgm s VAL 122 N -3.37 0.99 0.27 5.18 1.01 -0.95 -5.05 120.40 118.49 1jgm s VAL 122 Ca 0.29 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 1jgm s VAL 122 Cb -0.04 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 35.35 1jgm s VAL 122 CO 0.72 0.31 1.25 -1.00 0.00 0.00 0.00 175.10 176.38 1jgm s HIS 123 N 0.44 3.26 -0.10 5.22 3.76 -0.59 -4.58 115.29 122.69 1jgm s HIS 123 Ca -0.09 1.42 0.01 0.00 -0.15 0.00 0.00 55.06 56.25 1jgm s HIS 123 Cb -0.13 -3.55 0.02 0.00 1.11 0.00 0.00 32.58 30.03 1jgm s HIS 123 CO 0.02 -1.53 -0.12 0.42 -0.85 0.00 0.00 174.74 172.68 1jgm s ILE 124 N -0.70 1.29 -0.19 0.60 1.01 -1.26 -0.81 121.20 121.14 1jgm s ILE 124 Ca 0.50 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.52 1jgm s ILE 124 Cb -0.37 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1jgm s ILE 124 CO 0.45 0.40 0.29 -0.69 0.00 0.00 0.00 174.94 175.39 1jgm s VAL 125 N 1.17 5.29 0.39 2.92 1.01 -0.43 -0.90 120.40 129.86 1jgm s VAL 125 Ca -0.04 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1jgm s VAL 125 Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1jgm s VAL 125 CO -0.03 0.34 0.63 0.00 0.00 0.00 0.00 175.10 176.04 1jgm s ALA 126 N 0.85 3.59 0.27 5.51 0.00 -1.26 -0.70 121.76 130.01 1jgm s ALA 126 Ca 0.15 -0.75 0.12 0.00 0.00 0.00 0.00 51.96 51.47 1jgm s ALA 126 Cb -0.13 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 1jgm s ALA 126 CO 0.05 -0.13 -0.21 0.00 0.00 0.00 0.00 175.76 175.48 1jgm s ALA 127 N -2.46 2.72 0.00 0.00 0.00 -1.18 0.15 121.76 121.00 1jgm s ALA 127 Ca 0.43 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1jgm s ALA 127 Cb -0.10 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1jgm s ALA 127 CO 0.39 0.30 0.00 -2.37 0.00 0.00 0.00 175.76 174.08 1jgm n THR 128 N -0.48 0.00 0.00 0.00 5.66 0.09 -4.68 114.28 114.86 1jgm n THR 128 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1jgm n THR 128 Cb 0.59 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 1jgm n THR 128 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jgm n GLY 129 N 5.00 -1.22 3.07 1.09 0.00 -1.26 -4.37 105.19 107.50 1jgm n GLY 129 Ca 0.00 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 1jgm n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jgm s LEU 130 N 0.00 1.02 0.00 0.99 1.43 -1.26 -4.24 118.68 116.62 1jgm s LEU 130 Ca 0.00 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1jgm s LEU 130 Cb 0.00 0.69 0.00 0.00 0.03 0.00 0.00 46.19 46.91 1jgm s LEU 130 CO 0.00 -0.10 0.00 1.87 0.23 0.00 0.00 176.35 178.35 1jgm n TRP 131 N 3.29 0.00 -0.60 0.29 -0.00 -1.26 -3.80 117.44 115.36 1jgm n TRP 131 Ca -0.16 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.38 1jgm n TRP 131 Cb 0.57 0.00 0.33 0.00 -0.00 0.00 0.00 31.31 32.21 1jgm n TRP 131 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 177.69 179.66 1jgm n PHE 132 N 0.00 1.80 -2.51 5.87 1.16 -1.26 -4.30 117.46 118.22 1jgm n PHE 132 Ca 0.00 -0.67 -0.15 0.00 -1.87 0.00 0.00 57.45 54.75 1jgm n PHE 132 Cb 0.00 -0.47 0.02 0.00 -1.61 0.00 0.00 39.48 37.42 1jgm n PHE 132 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1jgm n ASP 133 N 0.42 3.14 -4.75 5.98 4.64 -1.26 -5.08 116.55 119.65 1jgm n ASP 133 Ca 0.25 -3.07 -0.41 0.00 -1.38 0.00 0.00 54.79 50.17 1jgm n ASP 133 Cb 1.07 -0.46 -0.03 0.00 -1.04 0.00 0.00 41.12 40.67 1jgm n ASP 133 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1jgm s PRO 134 N -3.49 4.35 0.88 -0.67 0.04 -1.26 -4.88 135.00 129.96 1jgm s PRO 134 Ca 0.38 2.17 -0.13 0.00 0.04 0.00 0.00 61.00 63.45 1jgm s PRO 134 Cb 0.40 -3.14 0.13 0.00 0.04 0.00 0.00 34.50 31.93 1jgm s PRO 134 CO -0.04 -0.28 1.21 -1.25 0.04 0.00 0.00 177.00 176.68 1jgm s PRO 135 N -0.60 1.40 0.28 0.56 0.04 -1.26 -4.66 135.00 130.76 1jgm s PRO 135 Ca 0.56 -0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.60 1jgm s PRO 135 Cb -0.39 -1.90 0.66 0.00 0.04 0.00 0.00 34.50 32.91 1jgm s PRO 135 CO 0.43 -1.96 1.72 -0.07 0.04 0.00 0.00 177.00 177.16 1jgm h LEU 136 N -1.32 0.40 -2.32 -3.56 3.38 -1.97 -0.36 115.31 109.55 1jgm h LEU 136 Ca -0.46 0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.67 1jgm h LEU 136 Cb 1.30 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1jgm h LEU 136 CO 0.57 0.08 0.13 0.28 0.09 0.00 0.00 178.44 179.58 1jgm h SER 137 N 0.48 0.00 0.04 -0.43 0.02 -2.00 -1.85 113.55 109.80 1jgm h SER 137 Ca 0.52 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 61.11 1jgm h SER 137 Cb 0.91 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.41 1jgm h SER 137 CO -0.47 0.00 -2.10 0.23 -1.14 0.00 0.00 176.83 173.35 1jgm n MET 138 N -3.80 0.66 0.33 3.45 2.81 -0.32 -4.46 117.12 115.78 1jgm n MET 138 Ca -0.00 0.29 0.21 0.00 -1.81 0.00 0.00 57.70 56.39 1jgm n MET 138 Cb 0.23 -1.62 1.13 0.00 -0.71 0.00 0.00 33.22 32.25 1jgm n MET 138 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jgm h ARG 139 N -0.38 0.00 -0.02 0.03 3.08 -0.63 -1.77 114.38 114.69 1jgm h ARG 139 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1jgm h ARG 139 Cb 1.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.82 1jgm h ARG 139 CO -0.13 0.00 -0.09 1.28 -1.07 0.00 0.00 179.97 179.97 1jgm n LEU 140 N -3.24 1.77 -4.83 3.04 4.77 -0.74 -4.96 117.00 112.81 1jgm n LEU 140 Ca -0.03 -0.58 -0.32 0.00 -0.03 0.00 0.00 56.01 55.05 1jgm n LEU 140 Cb 0.09 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1jgm n LEU 140 CO 0.22 0.30 0.69 -0.13 -1.33 0.00 0.00 177.39 177.14 1jgm s ARG 141 N -2.14 3.82 0.69 3.23 1.81 -0.67 -5.07 118.95 120.62 1jgm s ARG 141 Ca 0.32 1.01 -0.07 0.00 -1.72 0.00 0.00 55.73 55.26 1jgm s ARG 141 Cb 0.20 -2.11 0.05 0.00 -0.45 0.00 0.00 34.95 32.64 1jgm s ARG 141 CO 0.38 -0.38 1.01 -1.54 -0.68 0.00 0.00 175.30 174.09 1jgm s SER 142 N -3.02 4.93 0.34 0.23 1.04 -1.26 -4.87 113.70 111.08 1jgm s SER 142 Ca 0.60 0.52 0.02 0.00 0.48 0.00 0.00 55.95 57.57 1jgm s SER 142 Cb -0.11 -1.22 0.59 0.00 0.10 0.00 0.00 66.02 65.38 1jgm s SER 142 CO 0.33 -1.53 1.96 1.62 0.98 0.00 0.00 173.24 176.60 1jgm h VAL 143 N -0.56 1.18 -0.29 5.02 3.04 -1.98 -1.11 116.25 121.55 1jgm h VAL 143 Ca -0.45 -0.45 -0.03 0.00 -1.01 0.00 0.00 66.70 64.76 1jgm h VAL 143 Cb 1.31 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 1jgm h VAL 143 CO 0.61 0.20 0.06 -0.33 -1.01 0.00 0.00 177.57 177.10 1jgm h GLU 144 N 0.80 0.47 -0.23 4.17 3.07 -1.95 -1.23 114.58 119.68 1jgm h GLU 144 Ca 0.20 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1jgm h GLU 144 Cb 0.03 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1jgm h GLU 144 CO -0.03 0.56 0.11 0.93 -1.40 0.00 0.00 179.01 179.18 1jgm h GLU 145 N 0.30 0.32 -0.69 2.33 5.08 -1.82 -2.20 114.58 117.91 1jgm h GLU 145 Ca 0.09 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1jgm h GLU 145 Cb 0.31 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1jgm h GLU 145 CO 0.00 0.33 0.45 -0.07 -1.00 0.00 0.00 179.01 178.72 1jgm h LEU 146 N 0.24 0.65 -0.56 1.33 3.38 -1.15 -0.57 115.31 118.62 1jgm h LEU 146 Ca 0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jgm h LEU 146 Cb 0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1jgm h LEU 146 CO -0.01 0.43 0.34 0.74 0.09 0.00 0.00 178.44 180.04 1jgm h THR 147 N 0.75 1.17 -0.83 0.22 2.02 -0.85 -0.17 112.91 115.22 1jgm h THR 147 Ca 0.29 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1jgm h THR 147 Cb 0.19 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1jgm h THR 147 CO -0.09 0.17 0.49 1.56 0.37 0.00 0.00 175.52 178.02 1jgm h GLN 148 N 0.76 1.13 -0.31 6.66 1.08 -0.53 -0.59 115.11 123.31 1jgm h GLN 148 Ca 0.20 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 1jgm h GLN 148 Cb -0.02 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.16 1jgm h GLN 148 CO -0.04 0.79 -0.01 0.35 -0.95 0.00 0.00 178.83 178.97 1jgm h PHE 149 N 1.14 0.61 -0.82 2.96 3.04 -0.57 -0.34 116.94 122.96 1jgm h PHE 149 Ca 0.30 -0.11 -0.04 0.00 3.98 0.00 0.00 57.97 62.10 1jgm h PHE 149 Cb -0.04 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.28 1jgm h PHE 149 CO 0.01 0.70 0.36 0.74 -2.02 0.00 0.00 178.31 178.10 1jgm h PHE 150 N 0.34 1.20 -0.75 0.41 0.04 -0.78 -2.45 116.94 114.96 1jgm h PHE 150 Ca 0.09 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1jgm h PHE 150 Cb 0.46 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1jgm h PHE 150 CO 0.04 0.89 0.28 -0.07 -0.60 0.00 0.00 178.31 178.85 1jgm h LEU 151 N 1.17 1.04 -0.32 1.54 3.38 -0.94 -2.02 115.31 119.16 1jgm h LEU 151 Ca 0.28 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1jgm h LEU 151 Cb 0.16 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1jgm h LEU 151 CO -0.03 0.93 0.10 -0.09 0.09 0.00 0.00 178.44 179.44 1jgm h ARG 152 N 1.09 0.22 -0.05 1.13 2.43 -0.61 0.20 114.38 118.79 1jgm h ARG 152 Ca 0.25 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1jgm h ARG 152 Cb 0.23 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1jgm h ARG 152 CO -0.02 0.15 -0.29 0.93 -1.51 0.00 0.00 179.97 179.22 1jgm h GLU 153 N 0.23 0.09 0.11 0.20 5.08 -1.16 0.35 114.58 119.48 1jgm h GLU 153 Ca 0.14 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.26 1jgm h GLU 153 Cb 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1jgm h GLU 153 CO -0.16 0.38 -1.07 0.82 -1.00 0.00 0.00 179.01 177.99 1jgm h ILE 154 N 0.08 1.26 0.15 3.13 2.04 -0.96 -0.77 117.51 122.44 1jgm h ILE 154 Ca 0.01 -2.43 -0.32 0.00 1.00 0.00 0.00 64.86 63.12 1jgm h ILE 154 Cb 0.57 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 1jgm h ILE 154 CO 0.04 0.67 -1.64 1.56 0.00 0.00 0.00 178.15 178.79 1jgm h GLN 155 N -0.44 0.32 0.00 2.37 4.20 -0.65 -3.38 115.11 117.54 1jgm h GLN 155 Ca -0.22 -0.55 -0.39 0.00 0.06 0.00 0.00 58.65 57.55 1jgm h GLN 155 Cb 1.62 0.20 -0.07 0.00 0.30 0.00 0.00 27.48 29.54 1jgm h GLN 155 CO 0.07 1.26 -2.43 0.66 -0.67 0.00 0.00 178.83 177.72 1jgm n TYR 156 N -3.72 0.00 0.00 2.96 4.01 -0.34 -5.02 117.16 115.05 1jgm n TYR 156 Ca -0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1jgm n TYR 156 Cb 1.00 -0.95 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1jgm n TYR 156 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jgm n GLY 157 N 2.08 4.43 3.73 2.72 0.00 -0.03 -4.44 105.19 113.68 1jgm n GLY 157 Ca -0.46 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1jgm n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jgm s ILE 158 N -2.00 4.60 0.00 -0.61 1.01 0.76 -4.27 121.20 120.68 1jgm s ILE 158 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 60.65 62.69 1jgm s ILE 158 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1jgm s ILE 158 CO 0.00 0.29 0.00 -0.62 0.00 0.00 0.00 174.94 174.61 1jgm n GLU 159 N 3.04 0.00 -0.70 2.79 1.02 -1.26 -1.63 120.64 123.89 1jgm n GLU 159 Ca 0.03 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1jgm n GLU 159 Cb 0.50 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 32.18 1jgm n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1jgm n ASP 160 N 1.31 3.82 0.06 1.62 3.85 -1.26 -4.63 116.55 121.33 1jgm n ASP 160 Ca 0.00 -3.27 0.12 0.00 -0.71 0.00 0.00 54.79 50.93 1jgm n ASP 160 Cb 0.00 -0.63 0.08 0.00 -1.35 0.00 0.00 41.12 39.23 1jgm n ASP 160 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1jgm n THR 161 N -0.56 0.36 -0.59 2.12 -2.24 -0.64 -4.95 114.28 107.77 1jgm n THR 161 Ca 0.30 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1jgm n THR 161 Cb 1.08 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1jgm n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgm n GLY 162 N 1.31 1.63 3.64 3.38 0.00 -1.26 -4.95 105.19 108.94 1jgm n GLY 162 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1jgm n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jgm s ILE 163 N -3.42 4.47 -0.09 -0.61 1.01 -1.26 -4.67 121.20 116.63 1jgm s ILE 163 Ca 0.00 1.71 -0.17 0.00 0.00 0.00 0.00 60.65 62.19 1jgm s ILE 163 Cb 0.00 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 1jgm s ILE 163 CO 0.00 -0.39 0.46 -0.13 0.00 0.00 0.00 174.94 174.88 1jgm s ARG 164 N 3.62 4.25 0.43 2.79 0.52 -1.26 -0.17 118.95 129.14 1jgm s ARG 164 Ca 0.48 0.45 -0.24 0.00 -0.52 0.00 0.00 55.73 55.89 1jgm s ARG 164 Cb -0.14 -3.38 -0.08 0.00 0.52 0.00 0.00 34.95 31.87 1jgm s ARG 164 CO 0.15 0.29 1.19 0.00 0.02 0.00 0.00 175.30 176.94 1jgm s ALA 165 N 0.20 3.07 -0.93 2.13 0.00 -0.29 -4.52 121.76 121.41 1jgm s ALA 165 Ca 0.25 1.00 0.10 0.00 0.00 0.00 0.00 51.96 53.31 1jgm s ALA 165 Cb -0.16 -3.40 0.24 0.00 0.00 0.00 0.00 23.12 19.80 1jgm s ALA 165 CO 0.11 -0.65 1.15 0.41 0.00 0.00 0.00 175.76 176.78 1jgm n GLY 166 N 0.55 2.14 3.44 0.00 0.00 0.12 -4.60 105.19 106.85 1jgm n GLY 166 Ca 0.06 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 1jgm n GLY 166 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jgm s ILE 167 N -0.97 0.00 0.46 -0.61 2.07 -1.19 -4.39 121.20 116.58 1jgm s ILE 167 Ca 0.19 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.44 1jgm s ILE 167 Cb 0.11 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.70 1jgm s ILE 167 CO 0.14 0.00 0.08 -0.38 -1.91 0.00 0.00 174.94 172.87 1jgm n ILE 168 N -0.22 0.00 0.00 2.00 5.41 -0.33 -0.74 119.36 125.48 1jgm n ILE 168 Ca -0.16 -2.11 0.00 0.00 1.00 0.00 0.00 62.75 61.48 1jgm n ILE 168 Cb 0.64 0.32 0.00 0.00 -0.71 0.00 0.00 39.64 39.89 1jgm n ILE 168 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1jgm n VAL 170 N -1.25 0.00 -3.49 1.39 0.24 -0.58 -0.42 118.33 114.22 1jgm n VAL 170 Ca -0.15 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 1jgm n VAL 170 Cb 0.57 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.91 1jgm n VAL 170 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jgm s ALA 171 N -2.00 -1.76 0.04 2.33 0.00 -1.25 -1.38 121.76 117.73 1jgm s ALA 171 Ca 0.00 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 52.90 1jgm s ALA 171 Cb 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1jgm s ALA 171 CO 0.00 -0.61 0.06 0.95 0.00 0.00 0.00 175.76 176.16 1jgm s THR 172 N -2.74 0.14 -0.42 0.00 -4.23 -1.10 -4.83 115.64 102.46 1jgm s THR 172 Ca 0.00 -1.17 0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1jgm s THR 172 Cb -0.01 -0.90 0.22 0.00 1.34 0.00 0.00 72.50 73.15 1jgm s THR 172 CO -0.06 -0.64 0.46 0.35 -0.54 0.00 0.00 174.62 174.19 1jgm n THR 173 N 0.78 -0.69 -0.24 3.99 -2.24 -1.26 -3.94 114.28 110.68 1jgm n THR 173 Ca -0.19 -3.86 0.00 0.00 -2.27 0.00 0.00 64.05 57.73 1jgm n THR 173 Cb 0.58 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 1jgm n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgm n GLY 174 N 1.97 -1.24 3.65 3.38 0.00 -1.26 -4.94 105.19 106.75 1jgm n GLY 174 Ca 0.25 -1.90 -0.48 0.00 0.00 0.00 0.00 46.02 43.89 1jgm n GLY 174 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jgm n LYS 175 N 0.00 1.88 -1.73 1.61 4.81 -1.26 -4.87 118.16 118.60 1jgm n LYS 175 Ca 0.00 0.68 -0.39 0.00 -0.87 0.00 0.00 58.31 57.72 1jgm n LYS 175 Cb 0.00 -2.41 0.03 0.00 0.02 0.00 0.00 35.03 32.67 1jgm n LYS 175 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jgm n ALA 176 N 3.26 1.52 -1.93 3.14 0.00 -1.26 -4.99 120.51 120.25 1jgm n ALA 176 Ca 0.18 0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 1jgm n ALA 176 Cb 0.26 -2.33 0.05 0.00 0.00 0.00 0.00 19.45 17.43 1jgm n ALA 176 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jgm s THR 177 N -1.26 3.30 0.35 0.00 -4.23 -1.26 -4.82 115.64 107.72 1jgm s THR 177 Ca 0.67 0.28 0.05 0.00 -1.18 0.00 0.00 61.69 61.51 1jgm s THR 177 Cb -0.45 -3.40 0.29 0.00 1.34 0.00 0.00 72.50 70.29 1jgm s THR 177 CO 0.53 -0.49 1.96 -0.65 -0.54 0.00 0.00 174.62 175.43 1jgm h PRO 178 N -0.59 0.77 -0.48 3.99 0.11 -2.00 0.17 132.00 133.97 1jgm h PRO 178 Ca -0.45 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1jgm h PRO 178 Cb 1.27 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1jgm h PRO 178 CO 0.63 0.51 -0.13 0.35 -0.21 0.00 0.00 178.00 179.16 1jgm h PHE 179 N 0.79 1.00 -0.35 0.65 3.57 -1.93 -2.74 116.94 117.93 1jgm h PHE 179 Ca 0.31 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1jgm h PHE 179 Cb 0.21 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1jgm h PHE 179 CO -0.00 0.96 0.03 1.96 -2.23 0.00 0.00 178.31 179.03 1jgm h GLN 180 N 0.80 0.52 -0.54 1.11 4.20 -1.38 -1.20 115.11 118.62 1jgm h GLN 180 Ca 0.13 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1jgm h GLN 180 Cb 0.65 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1jgm h GLN 180 CO 0.05 0.53 0.01 0.93 -0.67 0.00 0.00 178.83 179.68 1jgm h GLU 181 N 0.51 0.92 -0.64 1.46 5.08 -0.88 -1.26 114.58 119.77 1jgm h GLU 181 Ca 0.11 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1jgm h GLU 181 Cb 0.29 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1jgm h GLU 181 CO 0.01 0.90 0.28 -0.07 -1.00 0.00 0.00 179.01 179.12 1jgm h LEU 182 N 0.85 0.87 -0.54 1.33 3.38 -1.10 -1.50 115.31 118.60 1jgm h LEU 182 Ca 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jgm h LEU 182 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1jgm h LEU 182 CO 0.02 0.79 0.24 0.58 0.09 0.00 0.00 178.44 180.16 1jgm h VAL 183 N 0.90 1.21 -0.74 1.22 2.07 -0.88 -0.38 116.25 119.65 1jgm h VAL 183 Ca 0.22 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1jgm h VAL 183 Cb 0.17 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1jgm h VAL 183 CO -0.02 0.24 0.35 -0.07 0.02 0.00 0.00 177.57 178.09 1jgm h LEU 184 N 0.73 0.96 -0.44 2.57 4.07 -1.01 0.19 115.31 122.39 1jgm h LEU 184 Ca 0.18 -0.11 -0.08 0.00 0.08 0.00 0.00 57.88 57.95 1jgm h LEU 184 Cb 0.15 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1jgm h LEU 184 CO -0.02 0.82 -0.03 0.11 -1.08 0.00 0.00 178.44 178.25 1jgm h LYS 185 N 1.05 0.79 -0.66 1.13 1.57 -0.92 -0.48 116.57 119.06 1jgm h LYS 185 Ca 0.26 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1jgm h LYS 185 Cb 0.12 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1jgm h LYS 185 CO -0.03 0.87 0.11 0.00 -0.57 0.00 0.00 179.45 179.83 1jgm h ALA 186 N 0.89 0.95 -0.48 3.86 0.00 -0.65 -1.29 119.26 122.54 1jgm h ALA 186 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jgm h ALA 186 Cb 0.53 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jgm h ALA 186 CO 0.03 0.66 0.27 0.00 0.00 0.00 0.00 179.25 180.20 1jgm h ALA 187 N 1.10 0.61 -0.67 0.00 0.00 -0.43 0.86 119.26 120.74 1jgm h ALA 187 Ca 0.20 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1jgm h ALA 187 Cb 0.43 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1jgm h ALA 187 CO 0.01 0.13 0.43 0.00 0.00 0.00 0.00 179.25 179.82 1jgm h ALA 188 N 1.11 0.86 -0.64 0.00 0.00 -0.69 -0.52 119.26 119.38 1jgm h ALA 188 Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1jgm h ALA 188 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jgm h ALA 188 CO -0.03 0.23 0.10 0.00 0.00 0.00 0.00 179.25 179.55 1jgm h ARG 189 N 0.86 1.06 -0.43 0.00 3.08 -0.85 0.38 114.38 118.48 1jgm h ARG 189 Ca 0.26 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1jgm h ARG 189 Cb -0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1jgm h ARG 189 CO -0.08 0.98 -0.20 0.00 -1.07 0.00 0.00 179.97 179.60 1jgm h ALA 190 N 1.03 0.83 -0.43 0.04 0.00 -0.48 -1.96 119.26 118.30 1jgm h ALA 190 Ca 0.19 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1jgm h ALA 190 Cb 0.44 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jgm h ALA 190 CO 0.01 0.64 0.10 1.03 0.00 0.00 0.00 179.25 181.04 1jgm h SER 191 N 0.74 0.65 -0.34 0.00 0.87 -0.83 -1.42 113.55 113.22 1jgm h SER 191 Ca 0.10 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 1jgm h SER 191 Cb 0.73 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1jgm h SER 191 CO 0.06 0.72 0.11 -0.07 -0.53 0.00 0.00 176.83 177.11 1jgm h LEU 192 N 0.55 0.56 -0.09 2.23 3.38 -0.78 0.45 115.31 121.61 1jgm h LEU 192 Ca 0.13 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1jgm h LEU 192 Cb 0.32 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1jgm h LEU 192 CO 0.00 0.55 -0.87 0.00 0.09 0.00 0.00 178.44 178.21 1jgm h ALA 193 N 1.53 0.47 0.00 1.53 0.00 -1.09 -3.39 119.26 118.32 1jgm h ALA 193 Ca 0.14 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1jgm h ALA 193 Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jgm h ALA 193 CO -0.01 1.09 -1.49 0.25 0.00 0.00 0.00 179.25 179.10 1jgm n THR 194 N -3.38 0.07 -0.22 0.00 -2.24 -0.56 -5.02 114.28 102.94 1jgm n THR 194 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1jgm n THR 194 Cb 0.87 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1jgm n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgm n GLY 195 N 1.98 1.31 3.77 3.38 0.00 0.16 -4.63 105.19 111.15 1jgm n GLY 195 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1jgm n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgm s VAL 196 N -2.77 3.17 0.79 1.61 1.01 -1.25 -1.22 120.40 121.74 1jgm s VAL 196 Ca 0.00 1.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.97 1jgm s VAL 196 Cb 0.00 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.77 1jgm s VAL 196 CO 0.00 0.22 1.15 -2.16 0.00 0.00 0.00 175.10 174.30 1jgm s PRO 197 N -1.83 2.11 -0.01 2.72 0.04 -1.26 -4.48 135.00 132.30 1jgm s PRO 197 Ca 0.50 0.27 0.06 0.00 0.04 0.00 0.00 61.00 61.86 1jgm s PRO 197 Cb -0.34 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1jgm s PRO 197 CO 0.43 -1.52 -0.18 0.08 0.04 0.00 0.00 177.00 175.86 1jgm s VAL 198 N -3.45 2.80 0.03 -0.36 1.01 0.12 -1.19 120.40 119.36 1jgm s VAL 198 Ca 0.61 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1jgm s VAL 198 Cb -0.12 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1jgm s VAL 198 CO 0.51 0.48 -0.10 0.28 0.00 0.00 0.00 175.10 176.27 1jgm s THR 199 N -0.79 0.79 0.22 3.92 -1.32 0.44 -1.18 115.64 117.70 1jgm s THR 199 Ca 0.13 -0.82 0.05 0.00 -1.21 0.00 0.00 61.69 59.84 1jgm s THR 199 Cb -0.10 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 70.10 1jgm s THR 199 CO 0.02 -0.06 -0.06 0.42 -2.21 0.00 0.00 174.62 172.73 1jgm s THR 200 N -0.80 1.31 -0.12 5.08 -4.23 -0.24 -1.52 115.64 115.12 1jgm s THR 200 Ca -0.01 -2.09 -0.05 0.00 -1.18 0.00 0.00 61.69 58.36 1jgm s THR 200 Cb -0.07 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 1jgm s THR 200 CO 0.01 -0.47 0.07 -2.28 -0.54 0.00 0.00 174.62 171.40 1jgm s HIS 201 N -3.24 3.34 0.16 3.99 2.46 -0.48 -1.13 115.29 120.39 1jgm s HIS 201 Ca 0.25 0.28 -0.00 0.00 0.47 0.00 0.00 55.06 56.05 1jgm s HIS 201 Cb 0.03 -1.92 -0.04 0.00 -0.13 0.00 0.00 32.58 30.52 1jgm s HIS 201 CO 0.07 0.48 0.07 0.95 -2.47 0.00 0.00 174.74 173.84 1jgm s THR 202 N -0.60 0.19 -0.85 0.89 -4.23 -1.23 -2.72 115.64 107.09 1jgm s THR 202 Ca 0.11 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.57 1jgm s THR 202 Cb -0.12 -2.20 0.22 0.00 1.34 0.00 0.00 72.50 71.74 1jgm s THR 202 CO 0.02 -0.33 0.77 0.00 -0.54 0.00 0.00 174.62 174.55 1jgm s ALA 203 N -4.00 4.13 0.41 3.99 0.00 -1.25 -4.85 121.76 120.18 1jgm s ALA 203 Ca 0.28 -3.45 0.13 0.00 0.00 0.00 0.00 51.96 48.92 1jgm s ALA 203 Cb 0.07 -3.32 0.96 0.00 0.00 0.00 0.00 23.12 20.84 1jgm s ALA 203 CO 0.05 -2.23 1.93 0.00 0.00 0.00 0.00 175.76 175.52 1jgm h ALA 204 N 7.29 1.98 0.02 0.00 0.00 -1.88 -0.99 119.26 125.69 1jgm h ALA 204 Ca 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1jgm h ALA 204 Cb 0.98 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1jgm h ALA 204 CO 0.80 -0.16 -0.31 0.66 0.00 0.00 0.00 179.25 180.24 1jgm h SER 205 N 0.51 -0.94 0.00 0.00 4.64 -1.90 0.64 113.55 116.50 1jgm h SER 205 Ca 0.35 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1jgm h SER 205 Cb 0.67 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1jgm h SER 205 CO -0.12 -0.31 0.00 0.00 -0.87 0.00 0.00 176.83 175.53 1jgm n GLN 206 N -4.18 0.15 -2.25 4.77 6.02 -0.44 -4.83 117.38 116.63 1jgm n GLN 206 Ca -0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.79 1jgm n GLN 206 Cb 0.23 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 1jgm n GLN 206 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1jgm n ARG 207 N -0.98 -1.24 -0.42 -1.09 1.74 0.22 -4.85 116.66 110.04 1jgm n ARG 207 Ca 0.04 0.78 0.35 0.00 -0.77 0.00 0.00 57.85 58.25 1jgm n ARG 207 Cb 0.02 -5.14 0.67 0.00 -1.02 0.00 0.00 32.46 26.99 1jgm n ARG 207 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1jgm h ASP 208 N 0.00 0.19 -0.81 0.55 3.45 -1.75 -1.40 116.42 116.64 1jgm h ASP 208 Ca -0.37 0.06 0.15 0.00 0.43 0.00 0.00 57.03 57.30 1jgm h ASP 208 Cb 1.26 0.04 -0.06 0.00 -0.56 0.00 0.00 39.33 40.02 1jgm h ASP 208 CO 0.44 -0.04 0.53 1.23 -1.57 0.00 0.00 179.24 179.84 1jgm h GLY 209 N 0.13 0.88 1.04 2.75 0.00 -1.88 -1.13 103.07 104.85 1jgm h GLY 209 Ca 0.71 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 47.69 1jgm h GLY 209 CO -0.21 0.07 -0.26 0.83 0.00 0.00 0.00 176.54 176.97 1jgm h GLU 210 N 0.51 0.84 -0.31 4.80 5.08 -1.63 -0.43 114.58 123.43 1jgm h GLU 210 Ca 0.40 -0.40 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1jgm h GLU 210 Cb 0.83 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1jgm h GLU 210 CO -0.15 1.04 -0.30 0.37 -1.00 0.00 0.00 179.01 178.97 1jgm h GLN 211 N 0.64 0.65 -0.07 2.33 4.15 -1.55 -1.20 115.11 120.05 1jgm h GLN 211 Ca 0.07 -0.28 -0.00 0.00 0.77 0.00 0.00 58.65 59.21 1jgm h GLN 211 Cb 0.83 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.50 1jgm h GLN 211 CO 0.07 0.87 0.03 1.96 -1.93 0.00 0.00 178.83 179.83 1jgm h GLN 212 N 0.56 0.11 -0.90 1.69 4.20 -1.09 -2.05 115.11 117.63 1jgm h GLN 212 Ca 0.07 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.83 1jgm h GLN 212 Cb 0.79 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.49 1jgm h GLN 212 CO 0.06 0.25 0.58 0.00 -0.67 0.00 0.00 178.83 179.06 1jgm h ALA 213 N 0.85 1.54 -0.03 3.87 0.00 -0.94 -0.29 119.26 124.27 1jgm h ALA 213 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jgm h ALA 213 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1jgm h ALA 213 CO -0.00 0.31 -0.01 0.00 0.00 0.00 0.00 179.25 179.54 1jgm h ALA 214 N 1.52 0.01 -0.23 0.00 0.00 -0.88 0.27 119.26 119.96 1jgm h ALA 214 Ca 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1jgm h ALA 214 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1jgm h ALA 214 CO -0.15 -0.50 0.11 0.82 0.00 0.00 0.00 179.25 179.52 1jgm h ILE 215 N -0.01 1.14 -0.70 0.00 2.04 -0.77 -1.40 117.51 117.81 1jgm h ILE 215 Ca 0.02 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1jgm h ILE 215 Cb 0.04 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1jgm h ILE 215 CO -0.04 0.14 0.44 -0.26 0.00 0.00 0.00 178.15 178.44 1jgm h PHE 216 N 0.23 0.91 -0.03 1.37 0.05 -0.92 -2.20 116.94 116.36 1jgm h PHE 216 Ca 0.08 0.01 -0.08 0.00 3.82 0.00 0.00 57.97 61.80 1jgm h PHE 216 Cb 0.13 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 37.76 1jgm h PHE 216 CO -0.02 0.60 -0.35 0.93 -0.18 0.00 0.00 178.31 179.29 1jgm h GLU 217 N 0.96 0.05 0.00 1.51 5.08 -0.77 -1.17 114.58 120.23 1jgm h GLU 217 Ca 0.26 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1jgm h GLU 217 Cb -0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1jgm h GLU 217 CO -0.05 0.39 0.00 0.66 -1.00 0.00 0.00 179.01 179.01 1jgm h SER 218 N 0.04 0.00 -0.03 1.42 4.64 -0.62 0.38 113.55 119.38 1jgm h SER 218 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jgm h SER 218 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1jgm h SER 218 CO 0.05 0.00 -0.05 -0.62 -0.87 0.00 0.00 176.83 175.34 1jgm n GLU 219 N -2.70 1.99 -0.81 4.77 -0.58 -0.51 -4.97 120.64 117.84 1jgm n GLU 219 Ca -0.00 -1.72 0.00 0.00 -0.42 0.00 0.00 57.16 55.02 1jgm n GLU 219 Cb 0.19 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1jgm n GLU 219 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jgm n GLY 220 N 1.26 0.57 3.75 0.62 0.00 0.12 -4.93 105.19 106.58 1jgm n GLY 220 Ca 0.12 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1jgm n GLY 220 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jgm s LEU 221 N 0.00 4.49 0.18 0.99 2.96 -0.83 -5.00 118.68 121.47 1jgm s LEU 221 Ca 0.00 2.24 -0.30 0.00 -0.22 0.00 0.00 54.13 55.85 1jgm s LEU 221 Cb 0.00 -3.62 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 1jgm s LEU 221 CO 0.00 -0.27 0.97 -0.44 -1.32 0.00 0.00 176.35 175.29 1jgm s SER 222 N -0.29 7.53 0.55 3.68 0.01 -1.26 -4.50 113.70 119.41 1jgm s SER 222 Ca 0.49 1.91 0.26 0.00 1.31 0.00 0.00 55.95 59.92 1jgm s SER 222 Cb -0.32 -2.60 1.45 0.00 0.21 0.00 0.00 66.02 64.76 1jgm s SER 222 CO 0.39 0.01 2.02 -0.65 0.41 0.00 0.00 173.24 175.42 1jgm h PRO 223 N 4.84 0.00 0.00 12.44 0.11 -1.85 -0.02 132.00 147.52 1jgm h PRO 223 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jgm h PRO 223 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jgm h PRO 223 CO 0.70 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.36 1jgm n SER 224 N -4.20 0.27 -0.73 -2.05 3.41 -1.19 -0.82 113.62 108.31 1jgm n SER 224 Ca 0.07 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.39 1jgm n SER 224 Cb 0.50 -0.64 0.32 0.00 -0.26 0.00 0.00 64.21 64.13 1jgm n SER 224 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jgm n ARG 225 N -1.83 2.00 -4.85 4.33 5.12 -0.02 -4.88 116.66 116.54 1jgm n ARG 225 Ca 0.01 -1.46 -0.26 0.00 -1.93 0.00 0.00 57.85 54.21 1jgm n ARG 225 Cb 0.12 -1.46 -0.16 0.00 -1.16 0.00 0.00 32.46 29.80 1jgm n ARG 225 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1jgm s VAL 226 N -1.91 1.45 -0.22 1.55 1.01 -0.00 0.13 120.40 122.40 1jgm s VAL 226 Ca 0.34 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1jgm s VAL 226 Cb 0.20 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1jgm s VAL 226 CO 0.31 0.42 -0.04 0.00 0.00 0.00 0.00 175.10 175.79 1jgm s ILE 228 N 1.42 4.69 0.62 0.00 -1.09 -0.09 -1.08 121.20 125.67 1jgm s ILE 228 Ca 0.05 0.01 -0.08 0.00 -2.23 0.00 0.00 60.65 58.40 1jgm s ILE 228 Cb -0.14 -4.35 0.00 0.00 -1.58 0.00 0.00 42.46 36.39 1jgm s ILE 228 CO -0.03 -0.83 0.97 -0.83 -1.23 0.00 0.00 174.94 172.99 1jgm s GLY 229 N 2.49 1.61 -1.81 6.18 0.00 -0.28 -0.60 107.32 114.90 1jgm s GLY 229 Ca 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1jgm s GLY 229 CO 0.17 -0.20 0.00 1.42 0.00 0.00 0.00 173.10 174.49 1jgm n HIS 230 N -2.71 -0.89 0.35 1.90 8.25 -1.05 -3.52 115.22 117.54 1jgm n HIS 230 Ca 0.05 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.64 1jgm n HIS 230 Cb 0.57 -3.91 0.57 0.00 1.12 0.00 0.00 29.99 28.34 1jgm n HIS 230 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1jgm h SER 231 N 0.00 0.00 -0.07 0.41 0.02 -1.25 -1.59 113.55 111.08 1jgm h SER 231 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1jgm h SER 231 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1jgm h SER 231 CO 0.58 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.37 1jgm n ASP 232 N -2.47 0.83 0.01 3.07 5.68 -1.25 -3.54 116.55 118.89 1jgm n ASP 232 Ca 0.01 -1.51 0.10 0.00 -0.50 0.00 0.00 54.79 52.89 1jgm n ASP 232 Cb 0.22 -0.04 0.43 0.00 -1.14 0.00 0.00 41.12 40.59 1jgm n ASP 232 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1jgm n ASP 233 N -0.26 0.08 -4.22 -1.12 10.43 -0.60 -4.75 116.55 116.13 1jgm n ASP 233 Ca 0.16 0.52 -0.18 0.00 2.57 0.00 0.00 54.79 57.85 1jgm n ASP 233 Cb 0.21 -0.54 -0.12 0.00 1.84 0.00 0.00 41.12 42.52 1jgm n ASP 233 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1jgm s THR 234 N -3.03 1.27 -2.44 -3.53 -1.32 -1.23 -4.72 115.64 100.64 1jgm s THR 234 Ca 0.09 -1.54 0.26 0.00 -1.21 0.00 0.00 61.69 59.29 1jgm s THR 234 Cb 0.13 -1.35 0.37 0.00 -1.51 0.00 0.00 72.50 70.14 1jgm s THR 234 CO 0.38 -0.32 1.55 0.47 -2.21 0.00 0.00 174.62 174.49 1jgm n ASP 235 N 0.86 1.79 -4.57 8.08 9.92 -1.26 -4.83 116.55 126.54 1jgm n ASP 235 Ca -0.18 -1.50 -0.14 0.00 -0.53 0.00 0.00 54.79 52.44 1jgm n ASP 235 Cb 0.56 0.06 -0.10 0.00 -0.64 0.00 0.00 41.12 41.00 1jgm n ASP 235 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1jgm s ASP 236 N -2.13 3.53 0.54 -2.24 -1.08 -1.26 -4.72 116.67 109.30 1jgm s ASP 236 Ca 0.32 -0.54 0.20 0.00 -0.52 0.00 0.00 52.55 52.00 1jgm s ASP 236 Cb 0.20 -2.58 1.41 0.00 -1.46 0.00 0.00 42.92 40.49 1jgm s ASP 236 CO 0.38 -4.50 2.17 0.25 0.52 0.00 0.00 175.17 173.99 1jgm h LEU 237 N 22.69 0.00 -0.01 -1.34 5.85 -1.99 -2.28 115.31 138.22 1jgm h LEU 237 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jgm h LEU 237 Cb 1.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 1jgm h LEU 237 CO 1.00 0.01 0.01 0.28 -0.34 0.00 0.00 178.44 179.40 1jgm h SER 238 N 0.00 0.01 0.26 1.25 0.02 -2.00 -0.98 113.55 112.12 1jgm h SER 238 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1jgm h SER 238 Cb 0.02 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1jgm h SER 238 CO 0.00 0.01 -0.34 0.22 -1.14 0.00 0.00 176.83 175.58 1jgm h TYR 239 N 0.02 -0.92 -0.22 3.45 -0.00 -1.82 -2.18 116.97 115.30 1jgm h TYR 239 Ca 0.01 0.01 0.06 0.00 -0.00 0.00 0.00 58.73 58.81 1jgm h TYR 239 Cb -0.00 0.37 -0.07 0.00 -0.00 0.00 0.00 36.73 37.03 1jgm h TYR 239 CO -0.08 -0.47 -0.22 -0.07 -0.00 0.00 0.00 178.16 177.32 1jgm h LEU 240 N -0.66 -0.70 -1.36 2.82 3.38 -1.36 -2.32 115.31 115.11 1jgm h LEU 240 Ca -0.00 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1jgm h LEU 240 Cb 0.62 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1jgm h LEU 240 CO -0.11 -0.26 -0.32 0.71 0.09 0.00 0.00 178.44 178.55 1jgm h THR 241 N -0.23 1.12 -0.31 0.22 1.35 -1.15 -1.11 112.91 112.80 1jgm h THR 241 Ca 0.13 -1.12 -0.13 0.00 -0.55 0.00 0.00 66.41 64.74 1jgm h THR 241 Cb 0.43 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1jgm h THR 241 CO -0.36 0.31 -0.32 0.00 -0.25 0.00 0.00 175.52 174.90 1jgm h ALA 242 N 1.68 0.86 -0.24 6.62 0.00 -0.87 -0.44 119.26 126.87 1jgm h ALA 242 Ca -0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1jgm h ALA 242 Cb 0.60 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jgm h ALA 242 CO 0.04 0.63 -0.30 -0.07 0.00 0.00 0.00 179.25 179.55 1jgm h LEU 243 N 0.57 0.69 -0.99 0.00 3.38 -1.22 -2.87 115.31 114.87 1jgm h LEU 243 Ca 0.06 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1jgm h LEU 243 Cb 0.83 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 1jgm h LEU 243 CO 0.07 1.05 0.60 0.00 0.09 0.00 0.00 178.44 180.25 1jgm h ALA 244 N 0.66 1.25 0.00 1.53 0.00 -1.00 -1.42 119.26 120.27 1jgm h ALA 244 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1jgm h ALA 244 Cb 0.88 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jgm h ALA 244 CO 0.07 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.89 1jgm h ALA 245 N 1.34 1.58 0.00 0.00 0.00 -0.99 -1.01 119.26 120.19 1jgm h ALA 245 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jgm h ALA 245 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jgm h ALA 245 CO -0.07 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.84 1jgm n ARG 246 N -4.05 0.13 0.00 0.00 1.74 -0.56 -4.91 116.66 109.02 1jgm n ARG 246 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1jgm n ARG 246 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1jgm n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jgm n GLY 247 N 1.41 0.72 3.77 -0.13 0.00 -0.38 -4.74 105.19 105.84 1jgm n GLY 247 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1jgm n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jgm s TYR 248 N -2.00 2.63 0.04 1.61 1.51 -1.08 -3.18 117.35 116.88 1jgm s TYR 248 Ca 0.00 1.55 -0.15 0.00 -1.01 0.00 0.00 57.07 57.46 1jgm s TYR 248 Cb 0.00 -3.16 -0.06 0.00 -0.11 0.00 0.00 41.96 38.63 1jgm s TYR 248 CO 0.00 -1.67 0.46 -0.51 -1.11 0.00 0.00 175.55 172.71 1jgm s LEU 249 N -4.87 4.46 -0.24 -1.29 1.02 0.20 -4.50 118.68 113.47 1jgm s LEU 249 Ca 0.67 1.03 -0.05 0.00 0.02 0.00 0.00 54.13 55.79 1jgm s LEU 249 Cb -0.20 -2.75 -0.01 0.00 0.02 0.00 0.00 46.19 43.24 1jgm s LEU 249 CO 0.42 0.28 0.01 -0.63 0.02 0.00 0.00 176.35 176.45 1jgm s ILE 250 N -1.15 3.76 -0.45 -0.59 -1.09 0.15 -0.91 121.20 120.92 1jgm s ILE 250 Ca 0.27 -0.44 -0.20 0.00 -2.23 0.00 0.00 60.65 58.05 1jgm s ILE 250 Cb -0.17 -2.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.97 1jgm s ILE 250 CO 0.16 0.33 0.63 -0.83 -1.23 0.00 0.00 174.94 174.00 1jgm s GLY 251 N 1.52 1.73 -1.03 6.18 0.00 0.23 -1.40 107.32 114.55 1jgm s GLY 251 Ca 0.05 -1.30 -0.08 0.00 0.00 0.00 0.00 44.72 43.39 1jgm s GLY 251 CO -0.00 1.51 1.00 1.08 0.00 0.00 0.00 173.10 176.68 1jgm s LEU 252 N 2.77 6.26 -0.01 0.66 1.43 0.40 -1.01 118.68 129.18 1jgm s LEU 252 Ca 0.21 -3.48 0.07 0.00 -1.03 0.00 0.00 54.13 49.90 1jgm s LEU 252 Cb -0.15 -2.15 0.20 0.00 0.03 0.00 0.00 46.19 44.12 1jgm s LEU 252 CO 0.18 -0.31 1.17 -0.90 0.23 0.00 0.00 176.35 176.71 1jgm n ASP 253 N 2.83 2.61 -0.58 2.29 3.85 -1.26 -1.99 116.55 124.30 1jgm n ASP 253 Ca 0.22 -2.06 0.07 0.00 -0.71 0.00 0.00 54.79 52.31 1jgm n ASP 253 Cb 0.40 -0.16 0.20 0.00 -1.35 0.00 0.00 41.12 40.21 1jgm n ASP 253 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1jgm n HIS 254 N 0.06 0.50 -0.32 2.11 8.25 -1.25 -2.28 115.22 122.29 1jgm n HIS 254 Ca 0.08 -1.10 -0.02 0.00 -0.26 0.00 0.00 57.72 56.42 1jgm n HIS 254 Cb 0.38 -0.27 0.03 0.00 1.12 0.00 0.00 29.99 31.26 1jgm n HIS 254 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1jgm h ILE 255 N 0.90 0.06 -0.00 1.59 1.08 -1.80 0.77 117.51 120.11 1jgm h ILE 255 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1jgm h ILE 255 Cb 1.26 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1jgm h ILE 255 CO 0.14 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.79 1jgm n PRO 256 N -5.47 1.00 -2.38 2.37 -0.04 -1.26 -4.22 135.00 125.01 1jgm n PRO 256 Ca 0.08 -0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.11 1jgm n PRO 256 Cb 0.39 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1jgm n PRO 256 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1jgm s HIS 257 N -2.00 2.44 -0.25 0.54 3.76 0.26 -4.81 115.29 115.24 1jgm s HIS 257 Ca 0.46 0.68 -0.19 0.00 -0.15 0.00 0.00 55.06 55.85 1jgm s HIS 257 Cb 0.21 -4.32 0.07 0.00 1.11 0.00 0.00 32.58 29.65 1jgm s HIS 257 CO 0.35 -1.91 0.63 0.45 -0.85 0.00 0.00 174.74 173.42 1jgm s SER 258 N 3.77 -0.74 -0.14 1.40 0.15 -1.24 -4.76 113.70 112.14 1jgm s SER 258 Ca 0.60 1.32 0.16 0.00 0.70 0.00 0.00 55.95 58.73 1jgm s SER 258 Cb -0.13 1.28 0.63 0.00 -1.71 0.00 0.00 66.02 66.09 1jgm s SER 258 CO 0.32 -0.23 1.54 0.00 1.20 0.00 0.00 173.24 176.08 1jgm n ALA 259 N 3.34 3.07 -1.85 5.45 0.00 0.19 -4.92 120.51 125.79 1jgm n ALA 259 Ca -0.17 -1.79 -0.42 0.00 0.00 0.00 0.00 53.44 51.07 1jgm n ALA 259 Cb 0.56 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 1jgm n ALA 259 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jgm s ILE 260 N -2.15 2.61 0.00 0.00 1.01 -1.26 0.07 121.20 121.49 1jgm s ILE 260 Ca 0.45 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1jgm s ILE 260 Cb 0.32 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.59 1jgm s ILE 260 CO 0.18 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1jgm n GLY 261 N 3.95 0.14 0.86 6.18 0.00 -1.26 -4.85 105.19 110.22 1jgm n GLY 261 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1jgm n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jgm n LEU 262 N 0.00 1.67 0.23 0.99 4.32 0.11 -4.81 117.00 119.51 1jgm n LEU 262 Ca 0.00 -2.71 0.15 0.00 -0.02 0.00 0.00 56.01 53.43 1jgm n LEU 262 Cb 0.00 -0.25 0.64 0.00 -1.62 0.00 0.00 43.42 42.19 1jgm n LEU 262 CO 0.00 0.83 1.13 -0.33 -1.22 0.00 0.00 177.39 177.80 1jgm h GLU 263 N 0.75 0.00 -0.00 3.23 3.07 -1.86 0.70 114.58 120.47 1jgm h GLU 263 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1jgm h GLU 263 Cb 1.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1jgm h GLU 263 CO 0.04 0.00 -0.05 -0.40 -1.40 0.00 0.00 179.01 177.20 1jgm n ASP 264 N -3.07 0.08 -4.27 1.42 5.68 -1.26 -4.56 116.55 110.57 1jgm n ASP 264 Ca 0.03 0.16 -0.42 0.00 -0.50 0.00 0.00 54.79 54.06 1jgm n ASP 264 Cb 0.64 -0.34 -0.09 0.00 -1.14 0.00 0.00 41.12 40.19 1jgm n ASP 264 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1jgm s ASN 265 N -2.83 5.78 0.11 -1.12 3.84 0.24 -4.94 114.94 116.02 1jgm s ASN 265 Ca 0.19 -1.65 -0.21 0.00 0.21 0.00 0.00 52.86 51.40 1jgm s ASN 265 Cb 0.19 -2.04 -0.10 0.00 -0.55 0.00 0.00 41.25 38.75 1jgm s ASN 265 CO 0.52 -0.64 1.75 0.00 -2.79 0.00 0.00 177.10 175.94 1jgm h ALA 266 N 8.51 0.15 -0.97 1.71 0.00 -1.82 0.22 119.26 127.06 1jgm h ALA 266 Ca -0.24 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1jgm h ALA 266 Cb 1.08 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1jgm h ALA 266 CO 0.84 -0.35 0.64 0.66 0.00 0.00 0.00 179.25 181.04 1jgm h SER 267 N 0.15 1.10 -0.39 0.00 4.64 -1.96 -0.42 113.55 116.67 1jgm h SER 267 Ca 0.04 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 1jgm h SER 267 Cb -0.00 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 1jgm h SER 267 CO -0.01 0.78 -0.22 0.00 -0.87 0.00 0.00 176.83 176.51 1jgm h ALA 268 N 1.41 0.55 -0.36 5.18 0.00 -1.86 -1.60 119.26 122.58 1jgm h ALA 268 Ca 0.36 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1jgm h ALA 268 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1jgm h ALA 268 CO -0.09 0.52 -0.13 0.77 0.00 0.00 0.00 179.25 180.32 1jgm h SER 269 N 0.64 0.62 -0.71 0.00 0.02 -0.51 0.89 113.55 114.49 1jgm h SER 269 Ca 0.08 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1jgm h SER 269 Cb 0.79 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1jgm h SER 269 CO 0.06 0.78 0.32 0.00 -1.14 0.00 0.00 176.83 176.85 1jgm h ALA 270 N 1.28 0.92 0.18 3.77 0.00 -0.93 0.20 119.26 124.69 1jgm h ALA 270 Ca 0.10 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 1jgm h ALA 270 Cb 0.56 -0.28 0.03 0.00 0.00 0.00 0.00 17.79 18.10 1jgm h ALA 270 CO 0.04 0.51 -1.22 1.25 0.00 0.00 0.00 179.25 179.83 1jgm h LEU 271 N 1.01 0.75 0.00 0.00 5.85 -0.86 -3.39 115.31 118.67 1jgm h LEU 271 Ca 0.24 -0.90 -0.13 0.00 0.84 0.00 0.00 57.88 57.94 1jgm h LEU 271 Cb 0.16 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1jgm h LEU 271 CO -0.03 1.59 -1.55 0.18 -0.34 0.00 0.00 178.44 178.29 1jgm n LEU 272 N -3.86 0.60 0.00 2.25 4.77 0.27 -5.04 117.00 115.98 1jgm n LEU 272 Ca -0.15 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1jgm n LEU 272 Cb 0.99 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 1jgm n LEU 272 CO 0.57 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1jgm n GLY 273 N 1.37 -0.16 0.20 -0.72 0.00 0.05 -3.72 105.19 102.21 1jgm n GLY 273 Ca -0.09 -1.79 0.02 0.00 0.00 0.00 0.00 46.02 44.16 1jgm n GLY 273 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jgm n ILE 274 N -0.07 1.09 -3.39 -0.61 -5.35 -1.26 0.57 119.36 110.34 1jgm n ILE 274 Ca 0.00 -1.10 -0.34 0.00 -0.27 0.00 0.00 62.75 61.04 1jgm n ILE 274 Cb 0.00 0.44 -0.06 0.00 -1.74 0.00 0.00 39.64 38.28 1jgm n ILE 274 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1jgm s ARG 275 N -1.16 3.89 0.63 6.28 0.52 -1.26 -4.78 118.95 123.08 1jgm s ARG 275 Ca 0.09 0.39 -0.10 0.00 -0.52 0.00 0.00 55.73 55.59 1jgm s ARG 275 Cb 0.06 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 1jgm s ARG 275 CO 0.05 0.42 1.02 -1.54 0.02 0.00 0.00 175.30 175.26 1jgm s SER 276 N -1.98 5.90 0.42 0.23 1.04 -1.26 -4.59 113.70 113.47 1jgm s SER 276 Ca 0.41 1.21 0.10 0.00 0.48 0.00 0.00 55.95 58.15 1jgm s SER 276 Cb -0.13 -2.19 0.89 0.00 0.10 0.00 0.00 66.02 64.69 1jgm s SER 276 CO 0.20 -1.02 2.00 4.11 0.98 0.00 0.00 173.24 179.50 1jgm h TRP 277 N -0.37 0.27 -0.36 5.02 5.08 -1.86 -1.11 115.95 122.62 1jgm h TRP 277 Ca -0.45 -0.01 -0.13 0.00 1.08 0.00 0.00 58.89 59.38 1jgm h TRP 277 Cb 1.22 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 27.28 1jgm h TRP 277 CO 0.58 0.29 -0.29 1.96 -1.28 0.00 0.00 178.44 179.70 1jgm h GLN 278 N 0.27 0.77 -0.08 0.12 7.50 -1.92 0.32 115.11 122.10 1jgm h GLN 278 Ca 0.06 -0.35 0.01 0.00 0.50 0.00 0.00 58.65 58.88 1jgm h GLN 278 Cb 0.19 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.69 1jgm h GLN 278 CO 0.00 0.97 0.01 1.15 -1.50 0.00 0.00 178.83 179.46 1jgm h THR 279 N 0.66 0.96 -0.34 -0.54 2.02 -1.68 0.27 112.91 114.26 1jgm h THR 279 Ca 0.08 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1jgm h THR 279 Cb 0.82 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1jgm h THR 279 CO 0.07 0.01 0.12 0.03 0.37 0.00 0.00 175.52 176.12 1jgm h ARG 280 N 0.04 0.51 -0.19 6.66 3.08 -1.11 -2.42 114.38 120.94 1jgm h ARG 280 Ca 0.04 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1jgm h ARG 280 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1jgm h ARG 280 CO -0.05 0.52 0.03 0.00 -1.07 0.00 0.00 179.97 179.40 1jgm h ALA 281 N 0.96 1.70 0.00 0.04 0.00 -0.01 -1.00 119.26 120.96 1jgm h ALA 281 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jgm h ALA 281 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jgm h ALA 281 CO -0.01 0.23 -0.01 -0.07 0.00 0.00 0.00 179.25 179.40 1jgm h LEU 282 N 0.27 0.00 -1.62 0.00 3.38 0.04 -1.12 115.31 116.26 1jgm h LEU 282 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1jgm h LEU 282 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1jgm h LEU 282 CO -0.00 0.01 -0.06 -0.07 0.09 0.00 0.00 178.44 178.41 1jgm h LEU 283 N 0.00 0.15 -0.11 1.67 3.38 -1.16 -1.11 115.31 118.14 1jgm h LEU 283 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jgm h LEU 283 Cb 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1jgm h LEU 283 CO 0.00 0.24 0.05 0.40 0.09 0.00 0.00 178.44 179.22 1jgm h ILE 284 N 0.17 1.12 -0.79 1.22 2.04 -1.32 -1.01 117.51 118.94 1jgm h ILE 284 Ca 0.04 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1jgm h ILE 284 Cb 0.22 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1jgm h ILE 284 CO 0.01 0.11 0.43 0.50 0.00 0.00 0.00 178.15 179.20 1jgm h LYS 285 N 0.04 1.11 0.04 2.37 3.64 -1.48 -0.65 116.57 121.64 1jgm h LYS 285 Ca 0.04 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1jgm h LYS 285 Cb 0.13 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1jgm h LYS 285 CO -0.00 0.83 -0.21 0.00 -2.27 0.00 0.00 179.45 177.79 1jgm h ALA 286 N 1.22 -0.30 -0.70 5.00 0.00 -0.98 0.83 119.26 124.35 1jgm h ALA 286 Ca 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jgm h ALA 286 Cb 0.04 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1jgm h ALA 286 CO -0.04 -0.72 0.42 -0.07 0.00 0.00 0.00 179.25 178.84 1jgm h LEU 287 N -0.36 0.83 -0.16 0.00 3.38 -1.01 0.35 115.31 118.34 1jgm h LEU 287 Ca 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1jgm h LEU 287 Cb 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jgm h LEU 287 CO -0.16 0.63 0.03 0.40 0.09 0.00 0.00 178.44 179.43 1jgm h ILE 288 N 0.96 1.22 -0.68 1.22 2.04 -0.24 0.14 117.51 122.17 1jgm h ILE 288 Ca 0.25 -0.70 0.09 0.00 1.00 0.00 0.00 64.86 65.49 1jgm h ILE 288 Cb -0.04 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1jgm h ILE 288 CO -0.05 0.21 0.45 0.44 0.00 0.00 0.00 178.15 179.20 1jgm h ASP 289 N 0.06 0.52 0.19 1.72 3.45 0.17 0.56 116.42 123.09 1jgm h ASP 289 Ca 0.05 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1jgm h ASP 289 Cb 0.30 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 1jgm h ASP 289 CO 0.00 0.32 0.00 0.00 -1.57 0.00 0.00 179.24 178.00 1jgm n GLN 290 N -4.48 0.69 -0.23 3.56 1.13 0.02 -4.88 117.38 113.18 1jgm n GLN 290 Ca 0.11 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1jgm n GLN 290 Cb 0.31 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1jgm n GLN 290 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jgm n GLY 291 N 0.83 0.88 1.95 1.08 0.00 0.19 -5.01 105.19 105.12 1jgm n GLY 291 Ca 0.18 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1jgm n GLY 291 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jgm n TYR 292 N -2.23 2.58 0.11 1.61 4.01 0.47 -4.71 117.16 119.00 1jgm n TYR 292 Ca 0.00 -2.36 0.08 0.00 -0.16 0.00 0.00 57.90 55.47 1jgm n TYR 292 Cb 0.00 -0.76 0.56 0.00 -0.31 0.00 0.00 39.34 38.83 1jgm n TYR 292 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jgm h MET 293 N 1.84 0.23 0.00 -0.72 -0.00 -1.79 -1.05 114.93 113.45 1jgm h MET 293 Ca 0.43 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 60.11 1jgm h MET 293 Cb 1.36 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.91 1jgm h MET 293 CO 0.97 0.15 0.00 1.63 -0.00 0.00 0.00 176.91 179.66 1jgm n LYS 294 N -4.49 0.12 -0.22 -0.10 5.02 -1.26 -3.03 118.16 114.19 1jgm n LYS 294 Ca 0.02 0.16 0.06 0.00 -2.02 0.00 0.00 58.31 56.53 1jgm n LYS 294 Cb 0.16 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.83 1jgm n LYS 294 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1jgm n GLN 295 N -1.40 2.81 -4.00 1.97 1.13 -0.40 -4.90 117.38 112.59 1jgm n GLN 295 Ca 0.06 -2.23 -0.36 0.00 -1.94 0.00 0.00 57.00 52.53 1jgm n GLN 295 Cb 0.18 -1.41 -0.07 0.00 0.11 0.00 0.00 30.24 29.05 1jgm n GLN 295 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jgm s ILE 296 N -1.63 5.20 -0.07 5.09 1.01 -1.17 0.34 121.20 129.98 1jgm s ILE 296 Ca 0.26 0.09 0.02 0.00 0.00 0.00 0.00 60.65 61.03 1jgm s ILE 296 Cb 0.18 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.40 1jgm s ILE 296 CO 0.11 0.61 -0.13 -0.76 0.00 0.00 0.00 174.94 174.77 1jgm s LEU 297 N -0.96 1.67 0.01 2.97 1.43 -0.49 -4.86 118.68 118.45 1jgm s LEU 297 Ca 0.14 -0.31 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 1jgm s LEU 297 Cb -0.12 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 1jgm s LEU 297 CO 0.03 0.04 -0.14 -0.69 0.23 0.00 0.00 176.35 175.82 1jgm s VAL 298 N 0.63 3.05 0.40 -1.59 1.01 -1.26 -0.45 120.40 122.18 1jgm s VAL 298 Ca -0.14 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.71 1jgm s VAL 298 Cb -0.16 -2.28 0.06 0.00 0.00 0.00 0.00 36.38 34.00 1jgm s VAL 298 CO 0.04 0.41 0.78 -0.55 0.00 0.00 0.00 175.10 175.78 1jgm s SER 299 N -1.27 0.11 -0.02 3.32 0.15 -0.84 -3.94 113.70 111.20 1jgm s SER 299 Ca 0.15 -1.24 0.10 0.00 0.70 0.00 0.00 55.95 55.66 1jgm s SER 299 Cb -0.11 0.86 -0.16 0.00 -1.71 0.00 0.00 66.02 64.90 1jgm s SER 299 CO 0.05 -1.71 0.21 0.59 1.20 0.00 0.00 173.24 173.58 1jgm n ASN 300 N -1.54 2.57 -3.67 5.45 3.02 -1.22 -3.90 115.26 115.97 1jgm n ASN 300 Ca -0.08 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.26 1jgm n ASN 300 Cb 0.60 1.41 0.04 0.00 -0.61 0.00 0.00 39.78 41.22 1jgm n ASN 300 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1jgm n ASP 301 N -1.92 -1.51 -4.88 6.41 4.64 -0.32 -4.60 116.55 114.37 1jgm n ASP 301 Ca -0.03 -0.78 -0.21 0.00 -1.38 0.00 0.00 54.79 52.38 1jgm n ASP 301 Cb 0.33 -4.23 0.07 0.00 -1.04 0.00 0.00 41.12 36.25 1jgm n ASP 301 CO 0.00 0.00 0.00 0.86 -0.82 0.00 0.00 177.20 177.24 1jgm s TRP 302 N -3.60 1.98 0.20 -0.67 -0.11 -1.26 -4.89 118.94 110.59 1jgm s TRP 302 Ca 0.04 -0.35 -0.23 0.00 1.22 0.00 0.00 56.10 56.77 1jgm s TRP 302 Cb -0.02 -2.65 0.05 0.00 -1.50 0.00 0.00 33.47 29.35 1jgm s TRP 302 CO 0.80 -1.21 0.73 -0.48 -4.62 0.00 0.00 176.95 172.17 1jgm s LEU 303 N -4.83 -0.36 -0.01 5.86 0.05 -1.25 -1.09 118.68 117.06 1jgm s LEU 303 Ca 0.62 -0.33 0.15 0.00 0.05 0.00 0.00 54.13 54.61 1jgm s LEU 303 Cb -0.07 2.54 -0.19 0.00 -2.05 0.00 0.00 46.19 46.42 1jgm s LEU 303 CO 0.40 -1.10 0.46 0.49 -0.55 0.00 0.00 176.35 176.06 1jgm n PHE 304 N -0.42 0.00 -3.82 3.48 3.72 0.18 -4.98 117.46 115.63 1jgm n PHE 304 Ca -0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.19 1jgm n PHE 304 Cb 0.61 -0.17 -0.11 0.00 -0.94 0.00 0.00 39.48 38.88 1jgm n PHE 304 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1jgm s GLY 305 N -3.04 -0.09 -0.28 1.37 0.00 -1.18 -4.93 107.32 99.17 1jgm s GLY 305 Ca -0.00 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.02 1jgm s GLY 305 CO 0.60 0.17 0.40 -0.12 0.00 0.00 0.00 173.10 174.15 1jgm s PHE 306 N -0.68 -0.93 -0.56 1.90 2.19 -1.25 -0.78 117.98 117.85 1jgm s PHE 306 Ca -0.08 0.40 0.16 0.00 0.33 0.00 0.00 56.93 57.74 1jgm s PHE 306 Cb -0.04 -0.14 -0.19 0.00 -1.31 0.00 0.00 43.02 41.34 1jgm s PHE 306 CO 0.01 -0.93 0.59 -1.13 1.83 0.00 0.00 175.22 175.60 1jgm n SER 307 N 5.35 0.88 -1.39 6.13 3.41 0.84 -4.54 113.62 124.30 1jgm n SER 307 Ca -0.00 -0.66 -0.07 0.00 -0.26 0.00 0.00 58.87 57.88 1jgm n SER 307 Cb 0.49 1.18 0.05 0.00 -0.26 0.00 0.00 64.21 65.67 1jgm n SER 307 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jgm n SER 308 N -1.54 3.54 -0.60 4.04 3.41 -1.21 -4.83 113.62 116.44 1jgm n SER 308 Ca 0.02 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 1jgm n SER 308 Cb 0.29 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1jgm n SER 308 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgm n TYR 309 N 0.13 -0.34 -1.51 7.33 9.36 -1.26 -5.08 117.16 125.80 1jgm n TYR 309 Ca 0.17 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 61.05 1jgm n TYR 309 Cb 0.80 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.59 1jgm n TYR 309 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1jgm s VAL 310 N -2.38 2.55 0.37 2.97 -7.23 -1.26 -4.93 120.40 110.49 1jgm s VAL 310 Ca 0.00 0.27 -0.27 0.00 -1.81 0.00 0.00 61.98 60.16 1jgm s VAL 310 Cb 0.00 -2.81 -0.10 0.00 0.56 0.00 0.00 36.38 34.03 1jgm s VAL 310 CO 0.00 -0.15 1.37 -0.89 -0.31 0.00 0.00 175.10 175.12 1jgm s THR 311 N -2.09 2.45 0.00 5.32 2.01 -1.26 -2.74 115.64 119.33 1jgm s THR 311 Ca 0.72 0.43 0.00 0.00 0.31 0.00 0.00 61.69 63.15 1jgm s THR 311 Cb -0.27 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1jgm s THR 311 CO 0.44 0.09 0.00 0.59 -0.69 0.00 0.00 174.62 175.05 1jgm n ASN 312 N 0.44 0.00 -0.28 3.53 4.13 -1.26 -4.90 115.26 116.92 1jgm n ASN 312 Ca 0.02 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.35 1jgm n ASN 312 Cb 0.42 0.00 0.30 0.00 -1.54 0.00 0.00 39.78 38.96 1jgm n ASN 312 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1jgm h ILE 313 N 0.00 0.96 -0.38 2.41 6.09 -1.84 -1.81 117.51 122.94 1jgm h ILE 313 Ca 0.00 -0.30 0.03 0.00 -1.37 0.00 0.00 64.86 63.22 1jgm h ILE 313 Cb 0.00 0.02 -0.03 0.00 0.47 0.00 0.00 36.82 37.28 1jgm h ILE 313 CO 0.00 0.16 0.19 -0.03 -3.07 0.00 0.00 178.15 175.40 1jgm h MET 314 N 0.87 0.38 -0.59 2.19 4.05 -1.85 0.48 114.93 120.46 1jgm h MET 314 Ca 0.41 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.80 1jgm h MET 314 Cb 0.42 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 1jgm h MET 314 CO -0.17 0.25 0.32 -0.44 0.23 0.00 0.00 176.91 177.10 1jgm h ASP 315 N 0.39 0.74 -0.26 1.39 3.32 -1.76 0.15 116.42 120.38 1jgm h ASP 315 Ca 0.16 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1jgm h ASP 315 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1jgm h ASP 315 CO -0.11 0.62 0.17 0.58 -1.72 0.00 0.00 179.24 178.78 1jgm h VAL 316 N 0.80 1.06 -0.51 -1.35 2.07 -0.95 -1.89 116.25 115.48 1jgm h VAL 316 Ca 0.21 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1jgm h VAL 316 Cb 0.04 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1jgm h VAL 316 CO -0.03 0.06 0.23 0.24 0.02 0.00 0.00 177.57 178.09 1jgm h MET 317 N 0.35 0.74 0.00 1.57 2.86 -0.51 -1.31 114.93 118.63 1jgm h MET 317 Ca 0.10 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1jgm h MET 317 Cb -0.03 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 1jgm h MET 317 CO -0.03 0.63 -0.11 -0.44 1.06 0.00 0.00 176.91 178.02 1jgm h ASP 318 N 0.68 0.00 0.37 1.22 3.45 -0.48 0.22 116.42 121.88 1jgm h ASP 318 Ca 0.17 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.38 1jgm h ASP 318 Cb 0.14 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1jgm h ASP 318 CO -0.02 0.11 -1.08 0.03 -1.57 0.00 0.00 179.24 176.71 1jgm h ARG 319 N 0.00 0.42 -0.30 3.56 3.08 -0.76 -2.66 114.38 117.72 1jgm h ARG 319 Ca -0.00 -0.52 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 1jgm h ARG 319 Cb 0.24 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1jgm h ARG 319 CO 0.01 1.19 0.06 0.28 -1.07 0.00 0.00 179.97 180.44 1jgm h VAL 320 N 0.20 1.23 -2.70 2.04 2.07 -0.12 -3.38 116.25 115.59 1jgm h VAL 320 Ca -0.11 -0.78 -0.60 0.00 0.82 0.00 0.00 66.70 66.03 1jgm h VAL 320 Cb 1.75 1.16 -0.39 0.00 -1.52 0.00 0.00 31.29 32.28 1jgm h VAL 320 CO 0.19 0.25 -0.82 0.21 0.02 0.00 0.00 177.57 177.43 1jgm s ASN 321 N -5.90 2.89 0.60 0.57 2.47 -0.05 -4.96 114.94 110.57 1jgm s ASN 321 Ca -0.13 -3.03 0.33 0.00 0.42 0.00 0.00 52.86 50.45 1jgm s ASN 321 Cb 0.08 -0.84 1.94 0.00 -1.45 0.00 0.00 41.25 40.99 1jgm s ASN 321 CO 0.75 -0.19 2.27 -0.65 -3.72 0.00 0.00 177.10 175.55 1jgm h PRO 322 N 6.02 0.00 0.00 0.43 0.11 -1.66 -1.12 132.00 135.78 1jgm h PRO 322 Ca 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1jgm h PRO 322 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1jgm h PRO 322 CO 0.46 0.01 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.79 1jgm h ASP 323 N 0.00 0.00 0.00 -2.05 3.45 -1.93 -3.48 116.42 112.41 1jgm h ASP 323 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1jgm h ASP 323 Cb 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1jgm h ASP 323 CO 0.00 0.03 0.00 0.61 -1.57 0.00 0.00 179.24 178.31 1jgm n GLY 324 N 0.21 3.26 0.28 2.75 0.00 -0.42 -1.40 105.19 109.86 1jgm n GLY 324 Ca 0.01 -0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.09 1jgm n GLY 324 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1jgm h MET 325 N 0.00 0.00 0.00 1.61 2.86 -1.91 -1.24 114.93 116.26 1jgm h MET 325 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jgm h MET 325 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1jgm h MET 325 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1jgm n ALA 326 N -2.01 2.27 -0.22 6.32 0.00 -0.50 -3.81 120.51 122.56 1jgm n ALA 326 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1jgm n ALA 326 Cb 0.14 -1.43 0.12 0.00 0.00 0.00 0.00 19.45 18.28 1jgm n ALA 326 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1jgm h PHE 327 N 0.00 0.54 0.41 0.00 3.57 -1.29 0.91 116.94 121.08 1jgm h PHE 327 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1jgm h PHE 327 Cb 0.34 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1jgm h PHE 327 CO 0.00 0.18 -0.48 0.82 -2.23 0.00 0.00 178.31 176.60 1jgm h ILE 328 N 0.53 0.06 -0.03 1.41 1.08 -1.80 0.37 117.51 119.12 1jgm h ILE 328 Ca 0.33 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.66 1jgm h ILE 328 Cb 0.36 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 1jgm h ILE 328 CO -0.27 0.00 -0.60 1.55 -0.69 0.00 0.00 178.15 178.14 1jgm h PRO 329 N -0.92 0.10 0.00 2.37 0.13 -1.77 -0.93 132.00 130.98 1jgm h PRO 329 Ca -0.04 -0.07 -0.21 0.00 -0.87 0.00 0.00 66.00 64.81 1jgm h PRO 329 Cb 0.82 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 1jgm h PRO 329 CO -0.10 0.67 -1.03 -0.07 -0.23 0.00 0.00 178.00 177.23 1jgm h LEU 330 N 0.07 0.00 0.00 1.56 3.38 -0.74 -3.40 115.31 116.18 1jgm h LEU 330 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jgm h LEU 330 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1jgm h LEU 330 CO 0.08 0.96 -1.05 0.54 0.09 0.00 0.00 178.44 179.07 1jgm n ARG 331 N -3.31 0.02 0.04 1.13 5.12 0.09 -4.71 116.66 115.04 1jgm n ARG 331 Ca -0.02 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 1jgm n ARG 331 Cb 0.94 -0.58 -0.08 0.00 -1.16 0.00 0.00 32.46 31.57 1jgm n ARG 331 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1jgm h VAL 332 N -0.03 1.12 -0.45 1.55 2.07 -1.08 -1.67 116.25 117.76 1jgm h VAL 332 Ca -0.02 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1jgm h VAL 332 Cb 1.02 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1jgm h VAL 332 CO -0.01 0.13 0.29 0.40 0.02 0.00 0.00 177.57 178.39 1jgm h ILE 333 N -0.28 1.09 -0.54 4.57 1.08 -1.40 -0.85 117.51 121.17 1jgm h ILE 333 Ca -0.01 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 64.22 1jgm h ILE 333 Cb 0.26 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1jgm h ILE 333 CO 0.01 0.11 0.14 -0.65 -0.69 0.00 0.00 178.15 177.06 1jgm h PRO 334 N 0.58 0.81 -0.22 2.37 0.11 -1.77 -1.29 132.00 132.59 1jgm h PRO 334 Ca 0.17 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1jgm h PRO 334 Cb -0.04 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1jgm h PRO 334 CO -0.06 0.73 0.11 0.35 -0.21 0.00 0.00 178.00 178.93 1jgm h PHE 335 N 0.79 0.31 -0.56 0.65 3.04 -0.84 0.32 116.94 120.64 1jgm h PHE 335 Ca 0.18 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 1jgm h PHE 335 Cb 0.28 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.67 1jgm h PHE 335 CO 0.02 0.29 0.01 -0.07 -2.02 0.00 0.00 178.31 176.54 1jgm h LEU 336 N 0.24 0.92 -0.67 0.59 3.38 -0.93 -1.48 115.31 117.36 1jgm h LEU 336 Ca 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1jgm h LEU 336 Cb 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1jgm h LEU 336 CO -0.01 0.97 0.34 -0.09 0.09 0.00 0.00 178.44 179.74 1jgm h ARG 337 N 0.88 0.96 0.00 1.13 2.43 -0.88 -0.64 114.38 118.26 1jgm h ARG 337 Ca 0.17 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1jgm h ARG 337 Cb 0.50 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1jgm h ARG 337 CO 0.02 0.75 -0.06 1.05 -1.51 0.00 0.00 179.97 180.22 1jgm h GLU 338 N 0.93 0.00 -0.17 0.20 4.11 -0.43 -0.19 114.58 119.02 1jgm h GLU 338 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1jgm h GLU 338 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1jgm h GLU 338 CO -0.03 0.06 0.00 1.63 0.07 0.00 0.00 179.01 180.74 1jgm n LYS 339 N -3.95 1.53 -0.03 1.06 4.76 -0.41 -4.89 118.16 116.23 1jgm n LYS 339 Ca -0.03 -0.81 0.00 0.00 -2.87 0.00 0.00 58.31 54.60 1jgm n LYS 339 Cb 0.15 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1jgm n LYS 339 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jgm n GLY 340 N 0.97 0.39 3.69 0.72 0.00 -0.08 -5.05 105.19 105.83 1jgm n GLY 340 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1jgm n GLY 340 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgm s VAL 341 N -2.07 3.62 0.61 1.61 1.01 -0.38 -4.96 120.40 119.83 1jgm s VAL 341 Ca 0.00 1.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.84 1jgm s VAL 341 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1jgm s VAL 341 CO 0.00 0.01 1.14 -2.84 0.00 0.00 0.00 175.10 173.41 1jgm s PRO 342 N 2.27 2.98 0.21 2.72 0.02 -1.26 -4.29 135.00 137.65 1jgm s PRO 342 Ca 0.65 1.59 -0.16 0.00 0.02 0.00 0.00 61.00 63.09 1jgm s PRO 342 Cb -0.33 -1.96 0.22 0.00 0.02 0.00 0.00 34.50 32.45 1jgm s PRO 342 CO 0.27 -1.15 1.60 0.37 -0.33 0.00 0.00 177.00 177.76 1jgm h GLN 343 N 0.60 -0.07 0.00 5.54 5.75 -1.97 -0.87 115.11 124.09 1jgm h GLN 343 Ca -0.49 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 57.98 1jgm h GLN 343 Cb 1.27 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 1jgm h GLN 343 CO 0.55 -0.05 -0.18 0.93 -2.65 0.00 0.00 178.83 177.43 1jgm h GLU 344 N -0.07 0.00 0.05 1.69 3.07 -1.99 0.37 114.58 117.70 1jgm h GLU 344 Ca 0.30 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.90 1jgm h GLU 344 Cb 0.55 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1jgm h GLU 344 CO -0.73 0.18 -1.08 1.15 -1.40 0.00 0.00 179.01 177.13 1jgm h THR 345 N 0.00 1.37 -0.64 1.13 2.02 -1.56 -0.97 112.91 114.26 1jgm h THR 345 Ca -0.00 -2.53 -0.05 0.00 0.77 0.00 0.00 66.41 64.60 1jgm h THR 345 Cb 0.34 2.57 -0.03 0.00 -1.74 0.00 0.00 68.15 69.29 1jgm h THR 345 CO 0.02 0.76 0.20 -0.07 0.37 0.00 0.00 175.52 176.81 1jgm h LEU 346 N 0.23 0.92 -0.42 2.58 3.38 -0.59 -0.86 115.31 120.56 1jgm h LEU 346 Ca -0.12 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 1jgm h LEU 346 Cb 1.74 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1jgm h LEU 346 CO 0.19 0.88 -0.15 0.00 0.09 0.00 0.00 178.44 179.46 1jgm h ALA 347 N 1.08 0.58 -0.62 1.53 0.00 -0.95 -2.24 119.26 118.65 1jgm h ALA 347 Ca 0.21 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jgm h ALA 347 Cb 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1jgm h ALA 347 CO -0.01 0.50 0.41 0.78 0.00 0.00 0.00 179.25 180.93 1jgm h GLY 348 N 0.66 0.87 0.97 0.00 0.00 -0.91 0.31 103.07 104.98 1jgm h GLY 348 Ca 0.10 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1jgm h GLY 348 CO 0.05 0.31 -0.07 -2.22 0.00 0.00 0.00 176.54 174.62 1jgm h ILE 349 N 0.83 1.27 0.00 2.60 2.04 -1.07 0.25 117.51 123.43 1jgm h ILE 349 Ca 0.23 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1jgm h ILE 349 Cb -0.09 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1jgm h ILE 349 CO -0.05 0.38 -0.43 0.71 0.00 0.00 0.00 178.15 178.76 1jgm h THR 350 N 0.59 0.00 0.00 -0.27 1.35 -1.29 -3.37 112.91 109.91 1jgm h THR 350 Ca 0.11 -0.92 -0.01 0.00 -0.55 0.00 0.00 66.41 65.05 1jgm h THR 350 Cb 0.58 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1jgm h THR 350 CO 0.03 0.00 -0.60 0.52 -0.25 0.00 0.00 175.52 175.23 1jgm n VAL 351 N -2.79 0.56 0.00 6.82 0.31 0.09 -1.64 118.33 121.68 1jgm n VAL 351 Ca 0.03 0.17 -0.12 0.00 -0.01 0.00 0.00 64.34 64.40 1jgm n VAL 351 Cb 0.52 -1.55 -0.08 0.00 -0.91 0.00 0.00 33.84 31.82 1jgm n VAL 351 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1jgm h THR 352 N -0.02 1.19 -0.32 2.52 2.02 -1.27 -2.57 112.91 114.47 1jgm h THR 352 Ca -0.01 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1jgm h THR 352 Cb 0.59 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1jgm h THR 352 CO -0.01 0.16 0.20 0.78 0.37 0.00 0.00 175.52 177.02 1jgm h ASN 353 N -0.19 0.38 -0.88 4.18 2.35 -1.14 -1.31 115.58 118.97 1jgm h ASN 353 Ca 0.01 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1jgm h ASN 353 Cb 0.25 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1jgm h ASN 353 CO 0.00 0.31 0.51 -0.65 -1.65 0.00 0.00 177.43 175.95 1jgm h PRO 354 N 0.42 1.20 -0.67 0.81 0.11 -1.73 -1.39 132.00 130.74 1jgm h PRO 354 Ca 0.11 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1jgm h PRO 354 Cb -0.01 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 30.82 1jgm h PRO 354 CO -0.02 0.86 0.40 0.00 -0.21 0.00 0.00 178.00 179.03 1jgm h ALA 355 N 1.28 0.86 -0.52 -0.75 0.00 -1.10 -0.01 119.26 119.01 1jgm h ALA 355 Ca 0.31 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1jgm h ALA 355 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1jgm h ALA 355 CO -0.06 0.34 -0.14 -0.09 0.00 0.00 0.00 179.25 179.30 1jgm h ARG 356 N 0.92 1.02 0.02 0.00 2.43 -0.95 -1.04 114.38 116.77 1jgm h ARG 356 Ca 0.24 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1jgm h ARG 356 Cb -0.02 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1jgm h ARG 356 CO -0.04 1.08 -0.01 0.35 -1.51 0.00 0.00 179.97 179.83 1jgm h PHE 357 N 0.88 -0.03 0.00 2.20 3.57 -0.99 -3.23 116.94 119.36 1jgm h PHE 357 Ca 0.13 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1jgm h PHE 357 Cb 0.71 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1jgm h PHE 357 CO 0.05 0.17 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.81 1jgm h LEU 358 N -0.22 0.00 -9.52 0.59 3.38 -0.98 -3.41 115.31 105.16 1jgm h LEU 358 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 1jgm h LEU 358 Cb 0.21 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.00 1jgm h LEU 358 CO 0.01 0.42 1.09 -0.24 0.09 0.00 0.00 178.44 179.80 1jgm n SER 359 N -3.80 3.98 -4.71 -0.43 2.88 -0.40 -4.80 113.62 106.35 1jgm n SER 359 Ca -0.01 1.00 -0.42 0.00 -1.33 0.00 0.00 58.87 58.11 1jgm n SER 359 Cb 0.48 -1.54 -0.03 0.00 -0.75 0.00 0.00 64.21 62.37 1jgm n SER 359 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1jgm s PRO 360 N 2.52 4.21 -0.09 -1.46 0.02 -1.26 -4.70 135.00 134.24 1jgm s PRO 360 Ca 0.81 2.36 -0.03 0.00 0.02 0.00 0.00 61.00 64.16 1jgm s PRO 360 Cb -0.50 -3.30 0.04 0.00 0.02 0.00 0.00 34.50 30.76 1jgm s PRO 360 CO 0.37 -0.65 0.05 0.99 -0.33 0.00 0.00 177.00 177.44 1jgm s THR 361 N 1.62 0.05 0.29 0.99 2.01 -0.35 0.14 115.64 120.39 1jgm s THR 361 Ca 0.71 0.15 -0.16 0.00 0.31 0.00 0.00 61.69 62.71 1jgm s THR 361 Cb -0.43 -0.40 -0.09 0.00 0.01 0.00 0.00 72.50 71.60 1jgm s THR 361 CO 0.32 0.06 0.72 -0.76 -0.69 0.00 0.00 174.62 174.26 1jgm s LEU 362 N 2.10 4.13 0.41 4.42 1.43 -1.26 -4.41 118.68 125.51 1jgm s LEU 362 Ca 0.04 1.29 -0.26 0.00 -1.03 0.00 0.00 54.13 54.17 1jgm s LEU 362 Cb -0.13 -3.94 -0.08 0.00 0.03 0.00 0.00 46.19 42.07 1jgm s LEU 362 CO -0.05 -0.14 1.30 -0.60 0.23 0.00 0.00 176.35 177.08 1jgm s ARG 363 N -2.73 3.93 0.50 1.70 3.52 -1.26 -4.92 118.95 119.68 1jgm s ARG 363 Ca 0.51 2.13 -0.22 0.00 -0.13 0.00 0.00 55.73 58.02 1jgm s ARG 363 Cb -0.12 -2.72 -0.06 0.00 -1.56 0.00 0.00 34.95 30.49 1jgm s ARG 363 CO 0.18 -0.52 1.24 0.00 -0.81 0.00 0.00 175.30 175.40 1jgm s ALA 364 N -1.28 2.90 -2.00 6.12 0.00 -1.26 -5.19 121.76 121.05 1jgm s ALA 364 Ca 0.58 1.09 0.22 0.00 0.00 0.00 0.00 51.96 53.85 1jgm s ALA 364 Cb -0.37 -3.45 1.34 0.00 0.00 0.00 0.00 23.12 20.63 1jgm s ALA 364 CO 0.48 -0.95 1.71 -1.13 0.00 0.00 0.00 175.76 175.88