#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrm n TYR 8 N 0.00 2.55 0.00 0.00 4.01 -1.26 -4.53 117.16 117.94 3jrm n TYR 8 Ca 0.00 -1.76 0.00 0.00 -0.16 0.00 0.00 57.90 55.98 3jrm n TYR 8 Cb 0.00 -0.89 0.00 0.00 -0.31 0.00 0.00 39.34 38.14 3jrm n TYR 8 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3jrm n ASP 9 N -0.81 0.08 -0.03 7.72 2.03 -1.26 -4.47 116.55 119.82 3jrm n ASP 9 Ca 0.50 -0.13 0.01 0.00 0.52 0.00 0.00 54.79 55.69 3jrm n ASP 9 Cb 1.36 0.28 -0.01 0.00 -0.72 0.00 0.00 41.12 42.03 3jrm n ASP 9 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3jrm n ARG 10 N -0.29 4.31 -3.79 -0.67 5.12 -1.26 -4.42 116.66 115.65 3jrm n ARG 10 Ca 0.00 -0.18 -0.17 0.00 -1.93 0.00 0.00 57.85 55.56 3jrm n ARG 10 Cb 0.00 -0.74 -0.17 0.00 -1.16 0.00 0.00 32.46 30.40 3jrm n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3jrm s ALA 11 N -0.95 0.24 0.62 7.54 0.00 -1.26 -5.03 121.76 122.91 3jrm s ALA 11 Ca 0.02 0.20 0.30 0.00 0.00 0.00 0.00 51.96 52.47 3jrm s ALA 11 Cb 0.02 -0.40 1.60 0.00 0.00 0.00 0.00 23.12 24.34 3jrm s ALA 11 CO 0.08 -0.22 1.97 0.97 0.00 0.00 0.00 175.76 178.56 3jrm h ILE 12 N 6.32 0.27 -0.37 0.00 6.09 -1.93 -2.37 117.51 125.51 3jrm h ILE 12 Ca -0.34 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 3jrm h ILE 12 Cb 1.12 0.70 0.00 0.00 0.47 0.00 0.00 36.82 39.11 3jrm h ILE 12 CO 0.38 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.81 3jrm n THR 13 N -3.46 0.48 -3.83 2.19 -2.24 -1.26 -4.71 114.28 101.45 3jrm n THR 13 Ca 0.03 -0.62 -0.36 0.00 -2.27 0.00 0.00 64.05 60.83 3jrm n THR 13 Cb 0.48 0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 69.20 3jrm n THR 13 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3jrm s VAL 14 N -1.52 4.13 0.30 2.28 1.01 -0.89 -5.09 120.40 120.62 3jrm s VAL 14 Ca 0.36 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 3jrm s VAL 14 Cb 0.20 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 3jrm s VAL 14 CO 0.28 0.37 0.89 -0.36 0.00 0.00 0.00 175.10 176.28 3jrm s PHE 15 N 1.47 3.70 0.82 5.22 0.08 -1.26 -4.67 117.98 123.33 3jrm s PHE 15 Ca 0.05 1.70 -0.12 0.00 0.12 0.00 0.00 56.93 58.69 3jrm s PHE 15 Cb -0.15 -2.86 0.08 0.00 -0.57 0.00 0.00 43.02 39.53 3jrm s PHE 15 CO 0.02 0.25 1.10 -1.54 -0.10 0.00 0.00 175.22 174.95 3jrm s SER 16 N -1.60 4.30 0.57 1.36 1.04 -0.30 -4.89 113.70 114.18 3jrm s SER 16 Ca 0.48 1.28 0.38 0.00 0.48 0.00 0.00 55.95 58.57 3jrm s SER 16 Cb -0.18 -1.99 2.04 0.00 0.10 0.00 0.00 66.02 65.98 3jrm s SER 16 CO 0.23 -2.09 2.17 -0.65 0.98 0.00 0.00 173.24 173.88 3jrm h PRO 17 N -1.17 0.00 -0.44 4.02 0.11 -1.97 0.14 132.00 132.69 3jrm h PRO 17 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jrm h PRO 17 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3jrm h PRO 17 CO 0.59 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 3jrm n ASP 18 N -2.87 2.54 -0.97 -2.05 8.00 -1.26 -4.95 116.55 115.00 3jrm n ASP 18 Ca -0.02 -1.96 -0.04 0.00 0.71 0.00 0.00 54.79 53.48 3jrm n ASP 18 Cb 0.08 -0.29 0.01 0.00 -0.02 0.00 0.00 41.12 40.91 3jrm n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jrm n GLY 19 N 1.27 0.73 3.59 0.44 0.00 0.04 -5.06 105.19 106.21 3jrm n GLY 19 Ca 0.17 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 3jrm n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jrm s ARG 20 N -5.18 2.16 -0.60 1.61 0.52 -1.25 -4.88 118.95 111.33 3jrm s ARG 20 Ca 0.09 -1.16 0.04 0.00 -0.52 0.00 0.00 55.73 54.17 3jrm s ARG 20 Cb -0.04 -2.24 0.15 0.00 0.52 0.00 0.00 34.95 33.33 3jrm s ARG 20 CO 0.11 0.46 0.36 -0.51 0.02 0.00 0.00 175.30 175.74 3jrm s LEU 21 N -2.68 4.54 0.31 2.53 1.43 -1.26 -1.15 118.68 122.39 3jrm s LEU 21 Ca 0.24 -3.34 0.01 0.00 -1.03 0.00 0.00 54.13 50.02 3jrm s LEU 21 Cb -0.10 -1.65 0.49 0.00 0.03 0.00 0.00 46.19 44.97 3jrm s LEU 21 CO 0.16 -0.18 1.85 -0.26 0.23 0.00 0.00 176.35 178.15 3jrm h PHE 22 N 6.09 0.72 -0.64 0.29 0.04 -1.83 -0.71 116.94 120.89 3jrm h PHE 22 Ca 0.01 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.73 3jrm h PHE 22 Cb 0.84 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 3jrm h PHE 22 CO 0.59 0.63 0.43 0.37 -0.60 0.00 0.00 178.31 179.73 3jrm h GLN 23 N 0.68 0.82 -0.54 1.51 5.75 -1.86 0.33 115.11 121.80 3jrm h GLN 23 Ca 0.15 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 3jrm h GLN 23 Cb 0.29 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 3jrm h GLN 23 CO 0.00 0.54 0.05 0.28 -2.65 0.00 0.00 178.83 177.05 3jrm h VAL 24 N 0.84 1.26 -0.11 2.39 2.07 -1.51 -1.54 116.25 119.65 3jrm h VAL 24 Ca 0.24 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 3jrm h VAL 24 Cb -0.05 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3jrm h VAL 24 CO -0.06 0.37 -0.23 -0.33 0.02 0.00 0.00 177.57 177.34 3jrm h GLU 25 N 0.80 0.18 -0.12 1.57 5.08 -0.65 -1.85 114.58 119.60 3jrm h GLU 25 Ca 0.16 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 3jrm h GLU 25 Cb 0.46 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3jrm h GLU 25 CO 0.02 0.42 -0.73 1.88 -1.00 0.00 0.00 179.01 179.60 3jrm h TYR 26 N 0.17 0.74 -0.91 4.33 0.99 -0.14 -2.68 116.97 119.47 3jrm h TYR 26 Ca 0.03 -0.32 0.14 0.00 2.00 0.00 0.00 58.73 60.57 3jrm h TYR 26 Cb 0.51 -0.12 -0.09 0.00 1.00 0.00 0.00 36.73 38.04 3jrm h TYR 26 CO 0.01 1.10 0.53 0.00 -0.00 0.00 0.00 178.16 179.80 3jrm h ALA 27 N 0.81 1.39 0.00 3.88 0.00 -0.74 -1.30 119.26 123.30 3jrm h ALA 27 Ca -0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3jrm h ALA 27 Cb 1.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3jrm h ALA 27 CO 0.13 0.04 -0.08 0.00 0.00 0.00 0.00 179.25 179.35 3jrm h ARG 28 N 0.78 0.00 -0.03 0.00 3.08 -1.02 -1.29 114.38 115.91 3jrm h ARG 28 Ca 0.48 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.43 3jrm h ARG 28 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3jrm h ARG 28 CO -0.31 0.08 -0.44 0.93 -1.07 0.00 0.00 179.97 179.15 3jrm h GLU 29 N 0.00 0.07 -0.85 0.04 4.39 -1.06 -2.58 114.58 114.60 3jrm h GLU 29 Ca -0.00 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.75 3jrm h GLU 29 Cb 0.15 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.74 3jrm h GLU 29 CO 0.01 0.51 0.55 0.00 -1.16 0.00 0.00 179.01 178.92 3jrm h ALA 30 N 1.49 1.66 -0.50 3.43 0.00 -1.07 -2.64 119.26 121.63 3jrm h ALA 30 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3jrm h ALA 30 Cb 0.81 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3jrm h ALA 30 CO 0.06 0.18 0.07 0.28 0.00 0.00 0.00 179.25 179.84 3jrm h VAL 31 N 0.85 1.23 0.00 0.00 2.07 -1.47 -2.55 116.25 116.38 3jrm h VAL 31 Ca 0.39 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3jrm h VAL 31 Cb 0.37 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3jrm h VAL 31 CO -0.16 0.32 -0.03 0.11 0.02 0.00 0.00 177.57 177.84 3jrm h LYS 32 N 0.75 0.00 -0.00 1.57 1.57 -1.49 -2.00 116.57 116.97 3jrm h LYS 32 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3jrm h LYS 32 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3jrm h LYS 32 CO 0.01 0.03 -0.01 1.63 -0.57 0.00 0.00 179.45 180.53 3jrm n LYS 33 N -3.32 0.68 -2.91 3.15 5.02 -0.96 -2.77 118.16 117.05 3jrm n LYS 33 Ca -0.02 -0.05 -0.28 0.00 -2.02 0.00 0.00 58.31 55.94 3jrm n LYS 33 Cb 0.15 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 3jrm n LYS 33 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3jrm s GLY 34 N -2.35 1.65 0.61 0.72 0.00 -0.75 -4.89 107.32 102.31 3jrm s GLY 34 Ca 0.36 -0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.43 3jrm s GLY 34 CO 0.43 -0.34 1.07 -1.35 0.00 0.00 0.00 173.10 172.91 3jrm s SER 35 N -3.70 5.60 0.38 1.64 1.04 -1.26 -0.35 113.70 117.05 3jrm s SER 35 Ca 0.47 1.88 -0.26 0.00 0.48 0.00 0.00 55.95 58.52 3jrm s SER 35 Cb -0.10 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.39 3jrm s SER 35 CO 0.38 -1.29 1.14 -0.89 0.98 0.00 0.00 173.24 173.56 3jrm s THR 36 N -2.39 3.31 0.05 2.02 2.01 -1.26 -4.52 115.64 114.86 3jrm s THR 36 Ca 0.65 1.11 -0.01 0.00 0.31 0.00 0.00 61.69 63.75 3jrm s THR 36 Cb -0.18 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 3jrm s THR 36 CO 0.37 0.11 -0.03 0.00 -0.69 0.00 0.00 174.62 174.38 3jrm s ALA 37 N -1.42 0.45 0.12 7.40 0.00 -0.46 -1.34 121.76 126.51 3jrm s ALA 37 Ca 0.55 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 3jrm s ALA 37 Cb -0.29 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3jrm s ALA 37 CO 0.37 -0.31 0.28 -0.48 0.00 0.00 0.00 175.76 175.61 3jrm s LEU 38 N -2.59 1.02 0.02 0.00 0.05 0.94 -1.32 118.68 116.80 3jrm s LEU 38 Ca 0.02 -0.61 -0.02 0.00 0.05 0.00 0.00 54.13 53.57 3jrm s LEU 38 Cb 0.04 1.32 -0.02 0.00 -2.05 0.00 0.00 46.19 45.47 3jrm s LEU 38 CO -0.08 -0.81 0.01 -0.83 -0.55 0.00 0.00 176.35 174.10 3jrm s GLY 39 N -2.87 0.23 -0.06 -3.48 0.00 -0.44 -0.46 107.32 100.24 3jrm s GLY 39 Ca 0.07 -0.60 -0.12 0.00 0.00 0.00 0.00 44.72 44.08 3jrm s GLY 39 CO -0.09 -0.69 0.28 -3.16 0.00 0.00 0.00 173.10 169.44 3jrm s MET 40 N -1.91 0.49 0.29 2.90 0.23 -0.91 -1.45 119.30 118.93 3jrm s MET 40 Ca -0.11 0.07 -0.29 0.00 -1.03 0.00 0.00 55.69 54.33 3jrm s MET 40 Cb -0.06 0.22 -0.09 0.00 -1.53 0.00 0.00 34.83 33.37 3jrm s MET 40 CO -0.02 -0.10 1.05 0.15 -2.03 0.00 0.00 175.02 174.06 3jrm s LYS 41 N -0.61 4.63 0.00 3.16 1.02 0.12 -1.49 119.74 126.57 3jrm s LYS 41 Ca -0.07 1.68 0.00 0.00 0.02 0.00 0.00 55.97 57.60 3jrm s LYS 41 Cb -0.04 -3.12 -0.00 0.00 -0.52 0.00 0.00 37.83 34.15 3jrm s LYS 41 CO 0.02 0.25 0.00 1.97 -0.92 0.00 0.00 175.35 176.67 3jrm n PHE 42 N 1.09 -0.00 -1.56 3.18 1.16 -0.42 -4.61 117.46 116.29 3jrm n PHE 42 Ca -0.01 -0.02 -0.45 0.00 -1.87 0.00 0.00 57.45 55.10 3jrm n PHE 42 Cb 0.46 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.29 3jrm n PHE 42 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3jrm n ALA 43 N -2.98 1.53 -2.99 1.98 0.00 -0.13 -2.31 120.51 115.61 3jrm n ALA 43 Ca -0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 3jrm n ALA 43 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 19.45 16.68 3jrm n ALA 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jrm n ASN 44 N 10.75 -4.99 -3.14 0.00 4.13 -1.26 -4.84 115.26 115.91 3jrm n ASN 44 Ca 0.32 -0.22 -0.00 0.00 1.68 0.00 0.00 54.58 56.36 3jrm n ASN 44 Cb 0.38 -4.09 0.01 0.00 -1.54 0.00 0.00 39.78 34.54 3jrm n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3jrm n GLY 45 N -1.25 0.51 3.34 7.41 0.00 -0.98 0.22 105.19 114.44 3jrm n GLY 45 Ca -0.10 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 3jrm n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jrm s VAL 46 N -2.09 0.04 0.11 1.61 0.11 -0.71 -1.30 120.40 118.16 3jrm s VAL 46 Ca 0.22 -0.30 -0.00 0.00 -2.93 0.00 0.00 61.98 58.96 3jrm s VAL 46 Cb -0.02 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 3jrm s VAL 46 CO 0.02 -0.17 0.02 -1.48 -3.33 0.00 0.00 175.10 170.16 3jrm s LEU 47 N -1.29 2.06 -0.02 2.54 0.05 -0.56 -2.05 118.68 119.41 3jrm s LEU 47 Ca -0.13 -1.14 0.03 0.00 0.05 0.00 0.00 54.13 52.95 3jrm s LEU 47 Cb -0.03 0.19 -0.00 0.00 -2.05 0.00 0.00 46.19 44.30 3jrm s LEU 47 CO 0.06 -0.65 -0.11 -0.76 -0.55 0.00 0.00 176.35 174.34 3jrm s LEU 48 N -3.03 1.91 -0.04 1.48 1.43 0.01 -2.14 118.68 118.29 3jrm s LEU 48 Ca 0.19 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3jrm s LEU 48 Cb 0.07 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.72 3jrm s LEU 48 CO -0.01 0.11 -0.10 -0.63 0.23 0.00 0.00 176.35 175.95 3jrm s ILE 49 N -0.04 0.89 -0.09 -0.59 1.01 0.39 -1.62 121.20 121.15 3jrm s ILE 49 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3jrm s ILE 49 Cb -0.07 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.61 3jrm s ILE 49 CO 0.00 0.29 -0.12 -0.55 0.00 0.00 0.00 174.94 174.56 3jrm s SER 50 N 0.49 2.08 0.55 3.58 0.15 -0.36 -0.04 113.70 120.15 3jrm s SER 50 Ca -0.09 -0.34 -0.20 0.00 0.70 0.00 0.00 55.95 56.02 3jrm s SER 50 Cb -0.12 -0.91 -0.05 0.00 -1.71 0.00 0.00 66.02 63.22 3jrm s SER 50 CO 0.02 -0.01 1.22 -0.62 1.20 0.00 0.00 173.24 175.04 3jrm s ASP 51 N 1.02 5.45 -0.20 5.45 2.15 -0.45 -1.21 116.67 128.89 3jrm s ASP 51 Ca -0.07 2.42 0.01 0.00 0.43 0.00 0.00 52.55 55.33 3jrm s ASP 51 Cb -0.15 -2.60 0.05 0.00 -0.30 0.00 0.00 42.92 39.91 3jrm s ASP 51 CO -0.01 -1.42 -0.08 -0.54 -0.17 0.00 0.00 175.17 172.95 3jrm s LYS 52 N -3.12 1.83 -0.89 4.34 1.02 -1.26 -4.68 119.74 116.98 3jrm s LYS 52 Ca 0.73 -0.79 -0.26 0.00 0.02 0.00 0.00 55.97 55.67 3jrm s LYS 52 Cb -0.31 -2.35 -0.15 0.00 -0.52 0.00 0.00 37.83 34.49 3jrm s LYS 52 CO 0.35 -0.46 2.28 -1.59 -0.92 0.00 0.00 175.35 175.02 3jrm s LYS 53 N 1.45 1.57 0.29 1.68 -2.85 -1.26 -4.92 119.74 115.70 3jrm s LYS 53 Ca -0.02 0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 54.80 3jrm s LYS 53 Cb -0.16 -4.87 -0.09 0.00 -2.06 0.00 0.00 37.83 30.64 3jrm s LYS 53 CO -0.08 -4.66 1.03 0.08 0.10 0.00 0.00 175.35 171.82 3jrm s VAL 54 N 14.98 3.77 0.00 1.79 1.01 -1.26 -4.94 120.40 135.75 3jrm s VAL 54 Ca 0.87 1.70 0.00 0.00 0.00 0.00 0.00 61.98 64.55 3jrm s VAL 54 Cb -0.10 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3jrm s VAL 54 CO 0.10 0.34 0.71 -2.11 0.00 0.00 0.00 175.10 174.14 3jrm n ARG 55 N 1.07 0.00 0.00 2.72 -4.01 -1.26 -5.10 116.66 110.08 3jrm n ARG 55 Ca -0.00 -0.42 0.00 0.00 -1.04 0.00 0.00 57.85 56.38 3jrm n ARG 55 Cb 0.47 -0.20 0.00 0.00 -3.04 0.00 0.00 32.46 29.69 3jrm n ARG 55 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 3jrm n SER 56 N 0.00 0.00 0.20 2.89 2.88 -1.26 -4.96 113.62 113.37 3jrm n SER 56 Ca -0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 3jrm n SER 56 Cb 0.59 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.59 3jrm n SER 56 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3jrm h ARG 57 N 0.00 0.00 0.00 -1.46 0.11 -2.05 -2.96 114.38 108.02 3jrm h ARG 57 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3jrm h ARG 57 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3jrm h ARG 57 CO 0.00 0.00 0.00 -0.07 0.10 0.00 0.00 179.97 180.00 3jrm h LEU 58 N 0.00 0.00-10.07 0.08 3.38 -2.06 -3.45 115.31 103.19 3jrm h LEU 58 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3jrm h LEU 58 Cb 0.52 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.31 3jrm h LEU 58 CO 0.00 0.00 0.41 -0.63 0.09 0.00 0.00 178.44 178.31 3jrm s ILE 59 N -3.23 3.47 -0.34 1.22 -1.09 -1.12 -5.02 121.20 115.09 3jrm s ILE 59 Ca 0.07 0.94 -0.22 0.00 -2.23 0.00 0.00 60.65 59.21 3jrm s ILE 59 Cb 0.10 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 3jrm s ILE 59 CO 0.53 -0.17 0.73 -1.61 -1.23 0.00 0.00 174.94 173.18 3jrm s GLU 60 N -3.17 3.79 -0.06 2.79 0.41 -1.26 -4.96 118.70 116.24 3jrm s GLU 60 Ca 0.69 0.30 -0.17 0.00 -0.41 0.00 0.00 54.97 55.37 3jrm s GLU 60 Cb -0.21 -3.78 -0.13 0.00 -1.78 0.00 0.00 34.13 28.23 3jrm s GLU 60 CO 0.24 -0.76 0.68 0.37 -0.49 0.00 0.00 175.26 175.31 3jrm h GLN 61 N 8.37 -0.23 -0.01 1.61 -0.00 -1.94 -3.25 115.11 119.67 3jrm h GLN 61 Ca -0.25 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 3jrm h GLN 61 Cb 1.10 0.05 -0.00 0.00 0.00 0.00 0.00 27.48 28.63 3jrm h GLN 61 CO 0.87 0.13 0.28 -2.95 0.00 0.00 0.00 178.83 177.16 3jrm h ASN 62 N -0.95 0.00 0.00 -0.69 7.08 -2.05 -3.35 115.58 115.62 3jrm h ASN 62 Ca -0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 3jrm h ASN 62 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.70 3jrm h ASN 62 CO 0.04 0.00 0.00 -0.24 -2.08 0.00 0.00 177.43 175.15 3jrm n SER 63 N -2.94 0.00 -3.10 6.14 2.88 -1.23 -4.95 113.62 110.43 3jrm n SER 63 Ca -0.02 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.08 3jrm n SER 63 Cb 0.33 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.71 3jrm n SER 63 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3jrm n ILE 64 N 0.00 0.00 -3.63 2.46 -6.64 -1.25 -4.96 119.36 105.35 3jrm n ILE 64 Ca 0.00 0.00 -0.16 0.00 -1.77 0.00 0.00 62.75 60.82 3jrm n ILE 64 Cb 0.00 -0.35 -0.07 0.00 -1.44 0.00 0.00 39.64 37.78 3jrm n ILE 64 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 3jrm s GLU 65 N 3.19 0.86 0.14 6.28 -1.05 -1.26 -4.94 118.70 121.92 3jrm s GLU 65 Ca 0.78 0.21 0.12 0.00 -0.15 0.00 0.00 54.97 55.93 3jrm s GLU 65 Cb -1.04 0.40 -0.12 0.00 -0.44 0.00 0.00 34.13 32.94 3jrm s GLU 65 CO 0.51 -0.24 1.19 0.87 0.95 0.00 0.00 175.26 178.54 3jrm h LYS 66 N 3.69 0.00 -6.48 -4.83 1.57 -1.93 -3.43 116.57 105.16 3jrm h LYS 66 Ca -0.28 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.97 3jrm h LYS 66 Cb 1.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3jrm h LYS 66 CO 0.35 0.68 0.36 0.42 -0.57 0.00 0.00 179.45 180.69 3jrm s ILE 67 N -2.80 4.68 -0.04 1.86 1.01 -1.26 -3.88 121.20 120.76 3jrm s ILE 67 Ca 0.01 2.05 0.01 0.00 0.00 0.00 0.00 60.65 62.71 3jrm s ILE 67 Cb 0.09 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 38.27 3jrm s ILE 67 CO 0.80 0.25 -0.04 -1.10 0.00 0.00 0.00 174.94 174.84 3jrm s GLN 68 N 0.47 0.82 0.13 2.79 -1.52 0.16 -4.98 119.66 117.53 3jrm s GLN 68 Ca 0.49 -0.11 -0.31 0.00 -1.95 0.00 0.00 55.36 53.49 3jrm s GLN 68 Cb -0.22 -0.83 -0.08 0.00 -0.22 0.00 0.00 33.01 31.67 3jrm s GLN 68 CO 0.29 -0.08 1.33 -0.51 -0.25 0.00 0.00 175.29 176.07 3jrm s LEU 69 N 0.89 4.39 -0.13 2.90 1.43 -1.26 -0.48 118.68 126.41 3jrm s LEU 69 Ca -0.11 2.29 -0.07 0.00 -1.03 0.00 0.00 54.13 55.20 3jrm s LEU 69 Cb -0.14 -3.59 -0.25 0.00 0.03 0.00 0.00 46.19 42.23 3jrm s LEU 69 CO 0.00 -0.57 0.33 -0.38 0.23 0.00 0.00 176.35 175.96 3jrm n ILE 70 N 3.53 1.76 -2.58 -0.59 2.08 0.13 -4.91 119.36 118.78 3jrm n ILE 70 Ca 0.09 -0.61 0.00 0.00 0.56 0.00 0.00 62.75 62.79 3jrm n ILE 70 Cb 0.43 -1.74 0.00 0.00 -0.75 0.00 0.00 39.64 37.58 3jrm n ILE 70 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3jrm n ASP 71 N -3.54 0.00 0.24 4.38 3.85 -0.88 -4.71 116.55 115.89 3jrm n ASP 71 Ca -0.33 0.00 0.15 0.00 -0.71 0.00 0.00 54.79 53.91 3jrm n ASP 71 Cb 1.02 0.00 0.56 0.00 -1.35 0.00 0.00 41.12 41.36 3jrm n ASP 71 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3jrm h ASP 72 N 0.00 0.00 -0.07 -1.12 3.32 -2.00 -3.26 116.42 113.29 3jrm h ASP 72 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3jrm h ASP 72 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3jrm h ASP 72 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 3jrm n TYR 73 N -2.92 0.09 -3.74 4.55 4.02 -1.26 -1.67 117.16 116.24 3jrm n TYR 73 Ca 0.02 -0.24 -0.12 0.00 -0.01 0.00 0.00 57.90 57.54 3jrm n TYR 73 Cb 0.33 -0.02 -0.12 0.00 -0.02 0.00 0.00 39.34 39.51 3jrm n TYR 73 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3jrm s VAL 74 N -0.68 -0.03 0.19 -0.72 1.01 -1.23 -1.78 120.40 117.16 3jrm s VAL 74 Ca 0.08 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.19 3jrm s VAL 74 Cb 0.04 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 3jrm s VAL 74 CO 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 175.10 175.17 3jrm s ALA 75 N 0.95 1.55 0.02 5.51 0.00 -0.22 0.22 121.76 129.79 3jrm s ALA 75 Ca -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.27 3jrm s ALA 75 Cb -0.08 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 3jrm s ALA 75 CO -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 175.76 175.44 3jrm s ALA 76 N -3.47 0.12 0.13 0.00 0.00 0.37 -1.62 121.76 117.29 3jrm s ALA 76 Ca 0.23 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 51.87 3jrm s ALA 76 Cb 0.05 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3jrm s ALA 76 CO 0.05 -0.10 -0.24 0.14 0.00 0.00 0.00 175.76 175.60 3jrm s VAL 77 N -1.02 2.43 0.16 0.00 -7.23 -0.40 -0.66 120.40 113.67 3jrm s VAL 77 Ca -0.11 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 3jrm s VAL 77 Cb -0.07 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 3jrm s VAL 77 CO -0.01 0.07 -0.11 0.42 -0.31 0.00 0.00 175.10 175.17 3jrm s THR 78 N -1.14 1.27 -0.11 5.32 -4.23 -1.25 -0.87 115.64 114.63 3jrm s THR 78 Ca 0.16 -2.09 -0.08 0.00 -1.18 0.00 0.00 61.69 58.50 3jrm s THR 78 Cb -0.10 -1.90 0.04 0.00 1.34 0.00 0.00 72.50 71.88 3jrm s THR 78 CO 0.07 -0.71 0.27 -0.55 -0.54 0.00 0.00 174.62 173.17 3jrm s SER 79 N -3.20 -0.30 0.00 3.99 0.15 -0.61 -4.96 113.70 108.78 3jrm s SER 79 Ca 0.18 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.40 3jrm s SER 79 Cb 0.02 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 3jrm s SER 79 CO 0.02 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.94 3jrm n GLY 80 N 3.61 0.41 3.66 9.45 0.00 -1.26 -1.57 105.19 119.49 3jrm n GLY 80 Ca -0.19 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3jrm n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jrm s LEU 81 N 0.00 4.33 0.12 0.99 1.43 -0.26 -4.75 118.68 120.54 3jrm s LEU 81 Ca 0.00 2.44 -0.20 0.00 -1.03 0.00 0.00 54.13 55.34 3jrm s LEU 81 Cb 0.00 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.62 3jrm s LEU 81 CO 0.00 -1.05 1.76 -0.37 0.23 0.00 0.00 176.35 176.92 3jrm h VAL 82 N 5.69 1.07 -0.43 -1.59 -1.51 -1.96 -1.66 116.25 115.85 3jrm h VAL 82 Ca -0.45 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 64.86 3jrm h VAL 82 Cb 1.21 0.81 -0.02 0.00 -2.13 0.00 0.00 31.29 31.16 3jrm h VAL 82 CO 0.95 0.07 0.27 0.00 -1.23 0.00 0.00 177.57 177.62 3jrm h ALA 83 N 1.05 0.55 -0.58 5.19 0.00 -2.00 -0.99 119.26 122.49 3jrm h ALA 83 Ca 0.07 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3jrm h ALA 83 Cb -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 3jrm h ALA 83 CO -0.01 0.04 0.23 -0.44 0.00 0.00 0.00 179.25 179.07 3jrm h ASP 84 N 0.58 0.26 -0.94 0.00 5.19 -1.92 -2.03 116.42 117.55 3jrm h ASP 84 Ca 0.16 0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.66 3jrm h ASP 84 Cb -0.01 0.03 -0.05 0.00 0.18 0.00 0.00 39.33 39.48 3jrm h ASP 84 CO -0.03 0.16 0.61 0.00 -3.12 0.00 0.00 179.24 176.87 3jrm h ALA 85 N 1.38 1.23 -0.32 3.45 0.00 -0.49 -1.58 119.26 122.92 3jrm h ALA 85 Ca 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3jrm h ALA 85 Cb 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3jrm h ALA 85 CO -0.27 0.50 0.16 -0.09 0.00 0.00 0.00 179.25 179.55 3jrm h ARG 86 N 1.20 0.46 -0.68 0.00 2.43 -0.49 0.07 114.38 117.36 3jrm h ARG 86 Ca 0.37 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 3jrm h ARG 86 Cb -0.03 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3jrm h ARG 86 CO -0.11 0.42 0.33 0.28 -1.51 0.00 0.00 179.97 179.38 3jrm h VAL 87 N 0.38 1.22 -0.04 0.20 2.07 -1.07 -1.04 116.25 117.96 3jrm h VAL 87 Ca 0.11 -0.60 -0.22 0.00 0.82 0.00 0.00 66.70 66.81 3jrm h VAL 87 Cb 0.11 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3jrm h VAL 87 CO -0.01 0.26 -0.87 -0.07 0.02 0.00 0.00 177.57 176.89 3jrm h LEU 88 N 0.96 0.64 -0.40 2.57 3.38 -0.84 -2.02 115.31 119.61 3jrm h LEU 88 Ca 0.24 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3jrm h LEU 88 Cb 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3jrm h LEU 88 CO -0.03 1.25 0.13 0.58 0.09 0.00 0.00 178.44 180.46 3jrm h VAL 89 N 0.32 1.21 -0.93 1.22 2.07 -0.63 -0.52 116.25 118.99 3jrm h VAL 89 Ca -0.07 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.80 3jrm h VAL 89 Cb 1.50 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 3jrm h VAL 89 CO 0.16 0.24 0.61 0.44 0.02 0.00 0.00 177.57 179.04 3jrm h ASP 90 N 0.50 1.00 -0.51 0.57 3.32 -1.17 -0.09 116.42 120.04 3jrm h ASP 90 Ca 0.13 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3jrm h ASP 90 Cb 0.24 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3jrm h ASP 90 CO -0.01 0.68 0.14 0.15 -1.72 0.00 0.00 179.24 178.49 3jrm h PHE 91 N 1.16 0.85 -0.68 4.55 3.57 -1.08 -1.45 116.94 123.87 3jrm h PHE 91 Ca 0.37 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.81 3jrm h PHE 91 Cb 0.03 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 3jrm h PHE 91 CO -0.00 0.75 0.42 0.00 -2.23 0.00 0.00 178.31 177.24 3jrm h ALA 92 N 1.01 0.88 -0.17 2.41 0.00 -0.21 0.13 119.26 123.31 3jrm h ALA 92 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3jrm h ALA 92 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3jrm h ALA 92 CO -0.00 0.18 -0.01 0.00 0.00 0.00 0.00 179.25 179.41 3jrm h ARG 93 N 0.81 0.30 -0.61 0.00 3.08 -0.66 -1.01 114.38 116.29 3jrm h ARG 93 Ca 0.27 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 3jrm h ARG 93 Cb 0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3jrm h ARG 93 CO -0.11 0.53 0.27 0.82 -1.07 0.00 0.00 179.97 180.41 3jrm h ILE 94 N 0.03 1.22 -0.71 2.04 2.04 -1.09 -2.31 117.51 118.73 3jrm h ILE 94 Ca 0.05 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 3jrm h ILE 94 Cb 0.41 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3jrm h ILE 94 CO 0.01 0.27 0.35 -1.28 0.00 0.00 0.00 178.15 177.50 3jrm h SER 95 N 0.84 0.92 -0.31 1.72 0.87 -0.56 -0.93 113.55 116.11 3jrm h SER 95 Ca 0.21 -0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3jrm h SER 95 Cb 0.16 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 3jrm h SER 95 CO -0.02 0.79 0.07 0.00 -0.53 0.00 0.00 176.83 177.14 3jrm h ALA 96 N 1.17 0.33 -0.07 6.23 0.00 -0.98 -2.40 119.26 123.55 3jrm h ALA 96 Ca 0.25 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 3jrm h ALA 96 Cb 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3jrm h ALA 96 CO -0.03 -0.33 -0.37 1.96 0.00 0.00 0.00 179.25 180.47 3jrm h GLN 97 N 0.19 0.13 -0.72 0.00 1.08 -0.85 -1.56 115.11 113.39 3jrm h GLN 97 Ca 0.14 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 3jrm h GLN 97 Cb 0.14 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 3jrm h GLN 97 CO -0.18 0.49 0.28 1.96 -0.95 0.00 0.00 178.83 180.44 3jrm h GLN 98 N 0.12 1.07 -0.36 1.46 4.20 -0.89 -0.32 115.11 120.38 3jrm h GLN 98 Ca 0.01 -0.19 -0.16 0.00 0.06 0.00 0.00 58.65 58.37 3jrm h GLN 98 Cb 0.72 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3jrm h GLN 98 CO 0.05 0.87 -0.41 1.49 -0.67 0.00 0.00 178.83 180.16 3jrm h GLU 99 N 1.04 0.91 -0.70 1.46 4.81 -0.93 -1.99 114.58 119.18 3jrm h GLU 99 Ca 0.24 -0.49 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 3jrm h GLU 99 Cb 0.20 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3jrm h GLU 99 CO -0.02 1.14 0.23 0.87 -0.73 0.00 0.00 179.01 180.50 3jrm h LYS 100 N 0.73 1.08 -0.24 1.92 1.57 -0.96 -1.32 116.57 119.36 3jrm h LYS 100 Ca 0.05 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 3jrm h LYS 100 Cb 1.00 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3jrm h LYS 100 CO 0.10 0.92 -0.37 0.28 -0.57 0.00 0.00 179.45 179.81 3jrm h VAL 101 N 1.02 1.29 -0.18 0.50 2.07 -0.98 0.38 116.25 120.35 3jrm h VAL 101 Ca 0.23 -1.50 -0.13 0.00 0.82 0.00 0.00 66.70 66.12 3jrm h VAL 101 Cb 0.29 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3jrm h VAL 101 CO -0.01 0.47 -0.39 0.74 0.02 0.00 0.00 177.57 178.40 3jrm h THR 102 N 0.44 1.34 0.00 2.57 2.02 -0.96 -3.38 112.91 114.93 3jrm h THR 102 Ca 0.05 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.59 3jrm h THR 102 Cb 0.84 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 3jrm h THR 102 CO 0.07 0.50 -0.57 -1.22 0.37 0.00 0.00 175.52 174.67 3jrm n TYR 103 N -4.27 0.00 0.00 3.16 4.01 -0.53 -5.01 117.16 114.52 3jrm n TYR 103 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3jrm n TYR 103 Cb 0.53 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 3jrm n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jrm n GLY 104 N 1.44 3.19 3.82 2.72 0.00 0.13 -5.00 105.19 111.49 3jrm n GLY 104 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3jrm n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jrm s SER 105 N -1.09 -0.05 -0.67 1.61 1.04 -1.25 -4.91 113.70 108.38 3jrm s SER 105 Ca 0.00 -1.00 -0.01 0.00 0.48 0.00 0.00 55.95 55.41 3jrm s SER 105 Cb 0.00 0.81 0.17 0.00 0.10 0.00 0.00 66.02 67.10 3jrm s SER 105 CO 0.00 -1.58 0.48 -0.22 0.98 0.00 0.00 173.24 172.90 3jrm s LEU 106 N -3.05 5.14 0.13 2.42 0.20 -1.26 -4.40 118.68 117.86 3jrm s LEU 106 Ca 0.15 -3.11 -0.15 0.00 0.69 0.00 0.00 54.13 51.70 3jrm s LEU 106 Cb -0.05 -1.82 -0.01 0.00 -0.43 0.00 0.00 46.19 43.88 3jrm s LEU 106 CO 0.10 -0.30 1.63 0.58 -0.29 0.00 0.00 176.35 178.08 3jrm h VAL 107 N 5.02 1.23 -3.29 1.68 2.07 -1.99 -3.42 116.25 117.55 3jrm h VAL 107 Ca 0.02 -0.78 -0.58 0.00 0.82 0.00 0.00 66.70 66.18 3jrm h VAL 107 Cb 0.90 0.96 -0.40 0.00 -1.52 0.00 0.00 31.29 31.24 3jrm h VAL 107 CO 0.73 0.27 -0.76 0.21 0.02 0.00 0.00 177.57 178.04 3jrm s ASN 108 N -6.01 3.78 0.59 0.57 3.84 -1.26 -1.80 114.94 114.65 3jrm s ASN 108 Ca -0.13 -1.40 0.30 0.00 0.21 0.00 0.00 52.86 51.83 3jrm s ASN 108 Cb 0.10 -0.89 1.40 0.00 -0.55 0.00 0.00 41.25 41.31 3jrm s ASN 108 CO 0.77 -0.36 1.79 0.40 -2.79 0.00 0.00 177.10 176.91 3jrm h ILE 109 N 6.53 0.31 -0.90 -5.21 2.04 -1.94 -0.90 117.51 117.44 3jrm h ILE 109 Ca -0.14 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.85 3jrm h ILE 109 Cb 1.05 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 3jrm h ILE 109 CO 0.43 0.00 0.58 -0.08 0.00 0.00 0.00 178.15 179.08 3jrm h GLU 110 N 0.00 0.74 -0.21 2.37 4.81 -1.99 -2.32 114.58 117.99 3jrm h GLU 110 Ca 0.31 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.29 3jrm h GLU 110 Cb 1.61 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.83 3jrm h GLU 110 CO -0.00 0.49 -0.65 -0.91 -0.73 0.00 0.00 179.01 177.21 3jrm h ASN 111 N 0.77 0.88 -0.52 1.04 4.21 -1.59 -0.61 115.58 119.76 3jrm h ASN 111 Ca 0.45 -0.52 0.09 0.00 1.21 0.00 0.00 56.30 57.53 3jrm h ASN 111 Cb 0.63 -0.26 -0.07 0.00 -1.12 0.00 0.00 38.32 37.50 3jrm h ASN 111 CO -0.21 1.30 0.09 0.25 -1.29 0.00 0.00 177.43 177.58 3jrm h LEU 112 N 0.56 -0.02 -0.26 1.61 5.85 -1.60 -1.36 115.31 120.09 3jrm h LEU 112 Ca -0.02 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3jrm h LEU 112 Cb 1.26 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3jrm h LEU 112 CO 0.13 0.01 0.12 0.58 -0.34 0.00 0.00 178.44 178.95 3jrm h VAL 113 N 0.23 1.15 -0.90 1.05 2.07 -1.14 -2.53 116.25 116.18 3jrm h VAL 113 Ca 0.26 -0.45 0.12 0.00 0.82 0.00 0.00 66.70 67.45 3jrm h VAL 113 Cb 0.37 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 3jrm h VAL 113 CO -0.35 0.16 0.53 0.11 0.02 0.00 0.00 177.57 178.04 3jrm h LYS 114 N 0.29 0.81 -0.73 1.57 1.57 -0.80 0.27 116.57 119.55 3jrm h LYS 114 Ca 0.09 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3jrm h LYS 114 Cb 0.14 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3jrm h LYS 114 CO -0.01 0.53 0.29 0.00 -0.57 0.00 0.00 179.45 179.69 3jrm h ARG 115 N 0.83 1.09 -0.42 3.15 3.08 -0.87 0.20 114.38 121.44 3jrm h ARG 115 Ca 0.46 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 3jrm h ARG 115 Cb 0.50 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3jrm h ARG 115 CO -0.28 0.89 -0.10 0.28 -1.07 0.00 0.00 179.97 179.69 3jrm h VAL 116 N 1.05 1.27 -0.19 2.04 2.07 -0.88 -2.32 116.25 119.28 3jrm h VAL 116 Ca 0.24 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 3jrm h VAL 116 Cb 0.21 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3jrm h VAL 116 CO -0.02 0.41 -0.10 0.00 0.02 0.00 0.00 177.57 177.87 3jrm h ALA 117 N 0.86 1.49 -0.24 1.67 0.00 -0.12 -2.21 119.26 120.71 3jrm h ALA 117 Ca 0.11 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 3jrm h ALA 117 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3jrm h ALA 117 CO 0.04 0.36 -0.53 -0.44 0.00 0.00 0.00 179.25 178.69 3jrm h ASP 118 N 0.28 0.89 -0.86 0.00 3.32 -0.43 -0.67 116.42 118.94 3jrm h ASP 118 Ca 0.06 -0.55 0.09 0.00 0.02 0.00 0.00 57.03 56.65 3jrm h ASP 118 Cb 0.36 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.58 3jrm h ASP 118 CO 0.02 1.27 0.50 -0.61 -1.72 0.00 0.00 179.24 178.71 3jrm h GLN 119 N 0.53 0.83 -0.30 3.56 5.75 -1.22 -1.23 115.11 123.04 3jrm h GLN 119 Ca 0.00 -0.05 -0.14 0.00 -0.15 0.00 0.00 58.65 58.31 3jrm h GLN 119 Cb 1.14 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.50 3jrm h GLN 119 CO 0.12 0.55 -0.37 0.52 -2.65 0.00 0.00 178.83 176.99 3jrm h MET 120 N 0.85 0.77 -0.83 1.69 2.86 -1.19 -3.19 114.93 115.90 3jrm h MET 120 Ca 0.41 -0.44 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3jrm h MET 120 Cb 0.34 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 3jrm h MET 120 CO -0.24 1.07 0.42 0.37 1.06 0.00 0.00 176.91 179.59 3jrm h GLN 121 N 0.53 1.17 -0.79 1.72 -0.00 -0.76 -2.12 115.11 114.87 3jrm h GLN 121 Ca 0.04 -0.15 0.15 0.00 -0.00 0.00 0.00 58.65 58.68 3jrm h GLN 121 Cb 0.96 -0.22 -0.10 0.00 0.00 0.00 0.00 27.48 28.12 3jrm h GLN 121 CO 0.09 0.88 0.34 1.96 0.00 0.00 0.00 178.83 182.10 3jrm h GLN 122 N 1.17 0.46 0.00 1.69 4.20 -1.22 -0.27 115.11 121.14 3jrm h GLN 122 Ca 0.29 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3jrm h GLN 122 Cb 0.08 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3jrm h GLN 122 CO -0.04 0.31 0.00 0.66 -0.67 0.00 0.00 178.83 179.09 3jrm n TYR 123 N -4.98 0.00 -0.43 2.96 4.02 -0.80 -1.89 117.16 116.04 3jrm n TYR 123 Ca 0.15 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.10 3jrm n TYR 123 Cb 0.44 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 39.90 3jrm n TYR 123 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3jrm n THR 124 N -0.61 1.41 0.00 -0.72 -2.24 -0.12 -3.10 114.28 108.91 3jrm n THR 124 Ca 0.05 -1.36 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 3jrm n THR 124 Cb 0.02 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3jrm n THR 124 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3jrm n GLN 125 N -0.19 2.59 -3.98 -0.78 7.27 -0.79 -4.80 117.38 116.69 3jrm n GLN 125 Ca 0.12 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.84 3jrm n GLN 125 Cb 0.52 -0.70 -0.12 0.00 2.41 0.00 0.00 30.24 32.35 3jrm n GLN 125 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3jrm s TYR 126 N -1.10 3.09 0.85 3.69 2.02 -1.18 -4.83 117.35 119.89 3jrm s TYR 126 Ca 0.00 -0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.25 3jrm s TYR 126 Cb 0.00 -2.13 0.11 0.00 -0.40 0.00 0.00 41.96 39.54 3jrm s TYR 126 CO 0.00 -0.19 1.17 0.20 -1.57 0.00 0.00 175.55 175.16 3jrm s GLY 127 N 1.04 1.91 0.00 0.71 0.00 -1.26 -3.68 107.32 106.04 3jrm s GLY 127 Ca 0.03 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.43 3jrm s GLY 127 CO 0.02 1.09 0.00 0.61 0.00 0.00 0.00 173.10 174.82 3jrm n GLY 128 N 0.20 0.02 3.17 0.20 0.00 -1.26 -5.05 105.19 102.47 3jrm n GLY 128 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 3jrm n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jrm s VAL 129 N -2.00 0.88 0.21 1.61 -7.23 -1.24 -5.16 120.40 107.46 3jrm s VAL 129 Ca 0.00 -1.65 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 3jrm s VAL 129 Cb 0.00 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 3jrm s VAL 129 CO 0.00 -0.59 0.28 0.00 -0.31 0.00 0.00 175.10 174.48 3jrm s ARG 130 N -2.86 3.28 0.85 4.82 1.70 -1.26 -4.84 118.95 120.63 3jrm s ARG 130 Ca 0.05 -0.79 -0.10 0.00 -0.47 0.00 0.00 55.73 54.42 3jrm s ARG 130 Cb -0.02 -2.82 0.10 0.00 -0.57 0.00 0.00 34.95 31.64 3jrm s ARG 130 CO -0.01 0.45 1.12 -2.14 -1.08 0.00 0.00 175.30 173.65 3jrm s PRO 131 N -3.66 1.61 0.06 3.89 0.02 -1.18 -4.90 135.00 130.83 3jrm s PRO 131 Ca 0.34 1.36 -0.31 0.00 0.02 0.00 0.00 61.00 62.41 3jrm s PRO 131 Cb -0.09 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 3jrm s PRO 131 CO 0.27 -2.16 1.24 0.71 -0.33 0.00 0.00 177.00 176.73 3jrm s TYR 132 N -2.77 3.37 -1.42 6.54 1.51 -1.26 -4.94 117.35 118.38 3jrm s TYR 132 Ca 0.64 1.22 -0.07 0.00 -1.01 0.00 0.00 57.07 57.85 3jrm s TYR 132 Cb -0.20 -3.47 0.06 0.00 -0.11 0.00 0.00 41.96 38.23 3jrm s TYR 132 CO 0.57 -1.50 2.55 0.41 -1.11 0.00 0.00 175.55 176.47 3jrm n GLY 133 N 3.29 4.89 2.95 0.71 0.00 -1.26 -4.50 105.19 111.28 3jrm n GLY 133 Ca 0.10 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 3jrm n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jrm s VAL 134 N -0.01 0.03 0.09 1.61 1.01 -1.26 -1.10 120.40 120.77 3jrm s VAL 134 Ca 0.58 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.38 3jrm s VAL 134 Cb 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.37 3jrm s VAL 134 CO -0.08 -0.14 -0.13 -0.44 0.00 0.00 0.00 175.10 174.31 3jrm s SER 135 N -0.41 4.20 0.03 3.32 0.01 -0.61 -2.76 113.70 117.48 3jrm s SER 135 Ca -0.05 -0.41 0.06 0.00 1.31 0.00 0.00 55.95 56.85 3jrm s SER 135 Cb -0.03 -0.75 -0.02 0.00 0.21 0.00 0.00 66.02 65.43 3jrm s SER 135 CO -0.00 0.20 -0.16 -0.76 0.41 0.00 0.00 173.24 172.92 3jrm s LEU 136 N -2.01 2.13 -0.14 2.44 1.02 0.39 -1.58 118.68 120.93 3jrm s LEU 136 Ca 0.19 -0.43 -0.04 0.00 0.02 0.00 0.00 54.13 53.88 3jrm s LEU 136 Cb -0.11 -0.76 -0.03 0.00 0.02 0.00 0.00 46.19 45.31 3jrm s LEU 136 CO 0.11 0.11 -0.01 -0.63 0.02 0.00 0.00 176.35 175.95 3jrm s ILE 137 N -0.70 4.15 -0.12 -0.59 1.01 -0.05 -1.16 121.20 123.74 3jrm s ILE 137 Ca 0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 3jrm s ILE 137 Cb -0.08 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 3jrm s ILE 137 CO 0.01 0.52 -0.11 -0.36 0.00 0.00 0.00 174.94 174.99 3jrm s PHE 138 N 0.04 2.83 -0.02 3.97 0.08 0.62 -1.28 117.98 124.24 3jrm s PHE 138 Ca 0.02 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.58 3jrm s PHE 138 Cb -0.13 -1.82 0.01 0.00 -0.57 0.00 0.00 43.02 40.51 3jrm s PHE 138 CO 0.02 -0.09 0.03 0.00 -0.10 0.00 0.00 175.22 175.08 3jrm s ALA 139 N 0.12 -0.04 0.03 5.36 0.00 -0.64 -0.36 121.76 126.22 3jrm s ALA 139 Ca -0.05 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.94 3jrm s ALA 139 Cb -0.15 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 22.90 3jrm s ALA 139 CO 0.04 -0.05 0.67 0.41 0.00 0.00 0.00 175.76 176.84 3jrm n GLY 140 N 3.44 0.57 3.46 0.00 0.00 -1.01 -1.05 105.19 110.60 3jrm n GLY 140 Ca -0.17 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 3jrm n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jrm s ILE 141 N -2.15 3.15 0.00 -0.61 -1.09 -0.73 -0.50 121.20 119.26 3jrm s ILE 141 Ca 0.16 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 3jrm s ILE 141 Cb -0.01 -2.27 0.00 0.00 -1.58 0.00 0.00 42.46 38.60 3jrm s ILE 141 CO 0.01 0.57 0.00 -0.90 -1.23 0.00 0.00 174.94 173.39 3jrm n ASP 142 N 2.67 0.42 0.18 3.58 5.68 -0.47 -4.84 116.55 123.78 3jrm n ASP 142 Ca -0.18 -0.62 0.14 0.00 -0.50 0.00 0.00 54.79 53.63 3jrm n ASP 142 Cb 0.52 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.04 3jrm n ASP 142 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3jrm h GLN 143 N 0.00 0.00 0.09 0.11 4.20 -1.61 -2.23 115.11 115.68 3jrm h GLN 143 Ca 0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 3jrm h GLN 143 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3jrm h GLN 143 CO 0.00 0.00 -1.16 0.82 -0.67 0.00 0.00 178.83 177.82 3jrm h ILE 144 N 0.00 1.52 0.00 2.54 5.03 -1.97 -3.51 117.51 121.12 3jrm h ILE 144 Ca 0.00 -3.03 0.00 0.00 -0.12 0.00 0.00 64.86 61.71 3jrm h ILE 144 Cb 0.46 2.86 0.00 0.00 -3.03 0.00 0.00 36.82 37.11 3jrm h ILE 144 CO 0.00 0.88 0.00 0.61 -0.68 0.00 0.00 178.15 178.96 3jrm n GLY 145 N 1.41 0.81 3.73 5.37 0.00 -0.84 -5.08 105.19 110.59 3jrm n GLY 145 Ca -0.07 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 3jrm n GLY 145 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3jrm s PRO 146 N -2.00 4.58 0.12 1.61 0.02 -1.26 -1.36 135.00 136.71 3jrm s PRO 146 Ca 0.00 1.61 0.10 0.00 0.02 0.00 0.00 61.00 62.73 3jrm s PRO 146 Cb 0.00 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 3jrm s PRO 146 CO 0.00 0.02 -0.25 1.03 -0.33 0.00 0.00 177.00 177.47 3jrm s ARG 147 N 0.25 1.32 -0.17 5.54 1.81 0.34 -5.00 118.95 123.04 3jrm s ARG 147 Ca 0.51 -1.30 -0.04 0.00 -1.72 0.00 0.00 55.73 53.18 3jrm s ARG 147 Cb -0.26 -1.75 0.08 0.00 -0.45 0.00 0.00 34.95 32.57 3jrm s ARG 147 CO 0.31 0.41 0.28 -1.17 -0.68 0.00 0.00 175.30 174.46 3jrm s LEU 148 N -2.02 -0.34 0.14 2.53 2.96 -1.26 -2.40 118.68 118.29 3jrm s LEU 148 Ca 0.12 0.37 0.09 0.00 -0.22 0.00 0.00 54.13 54.49 3jrm s LEU 148 Cb -0.10 0.75 -0.04 0.00 0.50 0.00 0.00 46.19 47.30 3jrm s LEU 148 CO 0.06 -0.27 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.25 3jrm s PHE 149 N 2.43 1.91 0.43 5.38 0.40 0.51 -0.51 117.98 128.53 3jrm s PHE 149 Ca 0.04 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 56.00 3jrm s PHE 149 Cb -0.13 -0.99 -0.06 0.00 0.51 0.00 0.00 43.02 42.34 3jrm s PHE 149 CO -0.11 0.31 0.03 0.16 0.70 0.00 0.00 175.22 176.31 3jrm s ASP 150 N -2.35 3.99 -0.29 1.36 1.47 -0.58 -0.27 116.67 120.00 3jrm s ASP 150 Ca 0.13 -1.40 -0.14 0.00 1.18 0.00 0.00 52.55 52.32 3jrm s ASP 150 Cb -0.08 -0.21 0.12 0.00 -0.34 0.00 0.00 42.92 42.41 3jrm s ASP 150 CO 0.06 -0.55 0.77 0.00 0.68 0.00 0.00 175.17 176.14 3jrm s ASP 152 N 2.11 4.35 0.64 0.00 -4.77 -1.05 -0.46 116.67 117.48 3jrm s ASP 152 Ca -0.07 -1.43 0.39 0.00 -3.30 0.00 0.00 52.55 48.13 3jrm s ASP 152 Cb -0.07 0.35 2.10 0.00 -1.09 0.00 0.00 42.92 44.20 3jrm s ASP 152 CO -0.18 -0.91 2.18 -0.65 0.70 0.00 0.00 175.17 176.31 3jrm h PRO 153 N 1.14 0.00 0.00 2.11 0.11 -1.74 -1.16 132.00 132.45 3jrm h PRO 153 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3jrm h PRO 153 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3jrm h PRO 153 CO 0.67 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 178.28 3jrm n ALA 154 N -1.99 2.67 -0.70 -0.75 0.00 -1.26 -4.66 120.51 113.81 3jrm n ALA 154 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3jrm n ALA 154 Cb 0.17 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3jrm n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jrm n GLY 155 N 1.45 0.61 3.72 0.00 0.00 -0.44 -4.26 105.19 106.27 3jrm n GLY 155 Ca 0.06 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3jrm n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jrm s THR 156 N -2.00 4.30 0.02 2.61 2.01 -1.26 -4.75 115.64 116.57 3jrm s THR 156 Ca 0.00 1.76 0.07 0.00 0.31 0.00 0.00 61.69 63.83 3jrm s THR 156 Cb 0.00 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 3jrm s THR 156 CO 0.00 0.20 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.29 3jrm s ILE 157 N 0.58 2.54 -0.03 1.82 1.01 -1.26 -2.54 121.20 123.33 3jrm s ILE 157 Ca 0.53 -1.18 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 3jrm s ILE 157 Cb -0.26 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.20 3jrm s ILE 157 CO 0.30 0.41 0.20 0.20 0.00 0.00 0.00 174.94 176.05 3jrm s ASN 158 N -1.19 -0.10 -0.13 3.58 -0.87 -1.09 -5.01 114.94 110.14 3jrm s ASN 158 Ca 0.13 0.05 -0.07 0.00 -1.57 0.00 0.00 52.86 51.40 3jrm s ASN 158 Cb -0.10 0.30 -0.04 0.00 -0.02 0.00 0.00 41.25 41.39 3jrm s ASN 158 CO 0.03 -0.30 0.11 -0.70 -2.57 0.00 0.00 177.10 173.67 3jrm s GLU 159 N -0.93 3.50 0.19 -0.60 2.12 -1.26 -1.52 118.70 120.20 3jrm s GLU 159 Ca -0.10 -0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.08 3jrm s GLU 159 Cb -0.05 -3.16 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 3jrm s GLU 159 CO 0.02 0.67 -0.06 0.71 -0.54 0.00 0.00 175.26 176.06 3jrm s TYR 160 N -0.74 1.44 -0.04 5.30 1.51 0.33 -5.00 117.35 120.16 3jrm s TYR 160 Ca 0.13 -0.81 -0.02 0.00 -1.01 0.00 0.00 57.07 55.37 3jrm s TYR 160 Cb -0.12 -0.77 -0.27 0.00 -0.11 0.00 0.00 41.96 40.69 3jrm s TYR 160 CO 0.03 0.06 0.70 0.87 -1.11 0.00 0.00 175.55 176.10 3jrm h LYS 161 N 2.62 0.22 -2.35 -0.62 1.57 -1.94 -3.38 116.57 112.69 3jrm h LYS 161 Ca -0.37 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 57.95 3jrm h LYS 161 Cb 1.21 0.14 -0.20 0.00 0.08 0.00 0.00 32.23 33.46 3jrm h LYS 161 CO 0.64 1.05 0.01 0.00 -0.57 0.00 0.00 179.45 180.58 3jrm s ALA 162 N -2.60 -1.43 0.25 3.86 0.00 -1.26 0.14 121.76 120.72 3jrm s ALA 162 Ca -0.12 1.16 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 3jrm s ALA 162 Cb 0.07 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.97 3jrm s ALA 162 CO 0.83 -0.32 0.82 -0.08 0.00 0.00 0.00 175.76 177.02 3jrm s THR 163 N -0.79 0.00 0.17 0.00 -1.32 -0.53 -5.01 115.64 108.17 3jrm s THR 163 Ca -0.08 -0.87 -0.05 0.00 -1.21 0.00 0.00 61.69 59.48 3jrm s THR 163 Cb -0.02 -2.15 -0.03 0.00 -1.51 0.00 0.00 72.50 68.79 3jrm s THR 163 CO 0.06 0.00 0.19 0.00 -2.21 0.00 0.00 174.62 172.66 3jrm s ALA 164 N -3.43 0.58 0.05 11.08 0.00 -1.26 -1.32 121.76 127.45 3jrm s ALA 164 Ca 0.13 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 3jrm s ALA 164 Cb -0.04 1.03 -0.03 0.00 0.00 0.00 0.00 23.12 24.08 3jrm s ALA 164 CO 0.06 -0.60 0.02 0.96 0.00 0.00 0.00 175.76 176.20 3jrm s ILE 165 N -4.05 0.17 0.00 0.00 -4.36 -0.44 -4.92 121.20 107.60 3jrm s ILE 165 Ca 0.26 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 3jrm s ILE 165 Cb 0.05 -1.13 0.00 0.00 1.25 0.00 0.00 42.46 42.64 3jrm s ILE 165 CO 0.05 -0.78 0.00 0.61 0.24 0.00 0.00 174.94 175.06 3jrm n GLY 166 N 0.52 -1.42 0.09 6.27 0.00 -1.26 -1.35 105.19 108.04 3jrm n GLY 166 Ca -0.17 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.64 3jrm n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jrm h SER 167 N 0.00 -0.06 -0.00 1.61 4.64 -0.51 -2.33 113.55 116.90 3jrm h SER 167 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3jrm h SER 167 Cb 0.00 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3jrm h SER 167 CO 0.00 -0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3jrm n GLY 168 N -1.16 0.57 0.34 -0.77 0.00 -1.26 -4.46 105.19 98.45 3jrm n GLY 168 Ca -0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 3jrm n GLY 168 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3jrm h LYS 169 N 0.02 -0.20 -0.36 1.61 3.64 -1.65 -1.65 116.57 117.98 3jrm h LYS 169 Ca 0.00 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 3jrm h LYS 169 Cb 0.32 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3jrm h LYS 169 CO 0.00 -0.13 -0.18 -0.44 -2.27 0.00 0.00 179.45 176.43 3jrm h ASP 170 N -0.20 0.79 0.11 4.20 3.32 -1.86 0.26 116.42 123.04 3jrm h ASP 170 Ca 0.20 -0.41 0.02 0.00 0.02 0.00 0.00 57.03 56.87 3jrm h ASP 170 Cb 0.54 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 3jrm h ASP 170 CO -0.61 1.02 -0.33 0.00 -1.72 0.00 0.00 179.24 177.61 3jrm h ALA 171 N 0.79 -0.55 -0.32 3.45 0.00 -1.86 -1.30 119.26 119.47 3jrm h ALA 171 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3jrm h ALA 171 Cb 0.73 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3jrm h ALA 171 CO 0.05 -0.87 0.02 0.28 0.00 0.00 0.00 179.25 178.74 3jrm h VAL 172 N -0.54 1.18 -0.02 0.00 2.07 -0.86 -1.49 116.25 116.58 3jrm h VAL 172 Ca 0.03 -0.69 -0.24 0.00 0.82 0.00 0.00 66.70 66.63 3jrm h VAL 172 Cb 0.58 0.91 0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3jrm h VAL 172 CO -0.20 0.24 -0.91 0.58 0.02 0.00 0.00 177.57 177.29 3jrm h VAL 173 N 0.47 1.31 -0.35 2.57 2.07 -0.28 -2.43 116.25 119.60 3jrm h VAL 173 Ca 0.11 -2.17 -0.15 0.00 0.82 0.00 0.00 66.70 65.31 3jrm h VAL 173 Cb 0.27 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3jrm h VAL 173 CO 0.01 0.67 -0.38 0.77 0.02 0.00 0.00 177.57 178.65 3jrm h SER 174 N 0.31 0.90 -0.76 0.57 4.64 -1.09 0.65 113.55 118.77 3jrm h SER 174 Ca -0.11 -0.40 0.05 0.00 -0.47 0.00 0.00 61.79 60.85 3jrm h SER 174 Cb 1.58 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 63.36 3jrm h SER 174 CO 0.18 1.17 0.46 0.15 -0.87 0.00 0.00 176.83 177.93 3jrm h PHE 175 N 0.69 0.86 -0.08 4.77 3.04 -1.32 -1.70 116.94 123.19 3jrm h PHE 175 Ca 0.06 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.87 3jrm h PHE 175 Cb 0.95 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 3jrm h PHE 175 CO 0.06 0.46 -0.67 -0.07 -2.02 0.00 0.00 178.31 176.06 3jrm h LEU 176 N 0.87 0.39 -1.31 0.59 3.38 -1.24 -0.09 115.31 117.90 3jrm h LEU 176 Ca 0.32 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3jrm h LEU 176 Cb 0.11 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3jrm h LEU 176 CO -0.15 0.95 0.50 -0.08 0.09 0.00 0.00 178.44 179.75 3jrm h GLU 177 N 0.24 0.82 0.24 1.13 4.81 -0.29 0.98 114.58 122.51 3jrm h GLU 177 Ca -0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3jrm h GLU 177 Cb 1.22 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3jrm h GLU 177 CO 0.11 0.55 -0.12 0.00 -0.73 0.00 0.00 179.01 178.82 3jrm h ARG 178 N 0.85 -0.31 0.00 1.92 3.08 -1.09 -3.41 114.38 115.42 3jrm h ARG 178 Ca 0.33 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3jrm h ARG 178 Cb 0.20 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3jrm h ARG 178 CO -0.11 -0.21 -0.68 0.39 -1.07 0.00 0.00 179.97 178.30 3jrm n GLU 179 N -4.70 0.17 -2.32 0.04 -0.58 -0.07 -4.96 120.64 108.23 3jrm n GLU 179 Ca -0.04 0.03 -0.41 0.00 -0.42 0.00 0.00 57.16 56.32 3jrm n GLU 179 Cb 0.13 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 3jrm n GLU 179 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3jrm s TYR 180 N -3.10 3.36 0.01 -0.32 5.04 0.33 -5.03 117.35 117.64 3jrm s TYR 180 Ca 0.08 1.50 0.04 0.00 -2.44 0.00 0.00 57.07 56.25 3jrm s TYR 180 Cb 0.15 -3.47 -0.02 0.00 0.35 0.00 0.00 41.96 38.98 3jrm s TYR 180 CO 0.73 -1.24 -0.14 0.15 -1.34 0.00 0.00 175.55 173.72 3jrm s LYS 181 N -1.10 1.02 0.56 4.97 1.02 -1.26 -5.00 119.74 119.94 3jrm s LYS 181 Ca 0.49 -0.60 -0.19 0.00 0.02 0.00 0.00 55.97 55.69 3jrm s LYS 181 Cb -0.35 -1.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.90 3jrm s LYS 181 CO 0.43 0.26 1.11 -1.21 -0.92 0.00 0.00 175.35 175.02 3jrm s GLU 182 N -0.68 3.34 -1.42 1.68 2.02 -1.26 -4.05 118.70 118.33 3jrm s GLU 182 Ca 0.04 1.51 0.00 0.00 0.02 0.00 0.00 54.97 56.53 3jrm s GLU 182 Cb -0.06 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.15 3jrm s GLU 182 CO 0.00 -0.84 0.00 0.09 0.02 0.00 0.00 175.26 174.53 3jrm n ASN 183 N -1.48 -4.64 -4.73 -0.19 3.02 -1.26 -4.91 115.26 101.07 3jrm n ASN 183 Ca 0.11 0.17 -0.36 0.00 -0.03 0.00 0.00 54.58 54.47 3jrm n ASN 183 Cb 0.51 -3.62 0.08 0.00 -0.61 0.00 0.00 39.78 36.14 3jrm n ASN 183 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3jrm s LEU 184 N -3.84 3.50 0.89 3.41 1.43 -1.26 -4.09 118.68 118.73 3jrm s LEU 184 Ca 0.00 2.58 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 3jrm s LEU 184 Cb 0.00 -4.61 0.13 0.00 0.03 0.00 0.00 46.19 41.74 3jrm s LEU 184 CO 0.00 -2.12 1.10 -2.84 0.23 0.00 0.00 176.35 172.72 3jrm s PRO 185 N -3.51 1.24 0.12 1.29 0.02 -1.26 -0.96 135.00 131.94 3jrm s PRO 185 Ca 0.81 1.18 -0.23 0.00 0.02 0.00 0.00 61.00 62.78 3jrm s PRO 185 Cb -0.36 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 3jrm s PRO 185 CO 0.42 -2.36 1.68 1.49 -0.33 0.00 0.00 177.00 177.90 3jrm h GLU 186 N -1.65 -0.20 -0.85 5.54 4.81 -1.95 -1.70 114.58 118.58 3jrm h GLU 186 Ca -0.47 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 3jrm h GLU 186 Cb 1.27 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 3jrm h GLU 186 CO 0.49 -0.13 0.56 0.87 -0.73 0.00 0.00 179.01 180.06 3jrm h LYS 187 N -0.21 1.01 -0.37 1.92 1.57 -2.00 0.01 116.57 118.51 3jrm h LYS 187 Ca 0.05 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 3jrm h LYS 187 Cb 0.28 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3jrm h LYS 187 CO -0.15 0.67 -0.34 0.93 -0.57 0.00 0.00 179.45 179.99 3jrm h GLU 188 N 1.04 0.85 -0.13 3.15 5.08 -1.87 -2.17 114.58 120.53 3jrm h GLU 188 Ca 0.34 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3jrm h GLU 188 Cb 0.06 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3jrm h GLU 188 CO -0.10 1.06 -0.01 0.00 -1.00 0.00 0.00 179.01 178.95 3jrm h ALA 189 N 0.90 0.10 -0.93 3.43 0.00 -0.29 -0.61 119.26 121.87 3jrm h ALA 189 Ca 0.07 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3jrm h ALA 189 Cb 0.90 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3jrm h ALA 189 CO 0.08 -0.46 0.61 0.28 0.00 0.00 0.00 179.25 179.76 3jrm h VAL 190 N 0.03 1.20 -0.17 0.00 2.07 -1.00 -0.22 116.25 118.16 3jrm h VAL 190 Ca 0.06 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3jrm h VAL 190 Cb 0.08 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 3jrm h VAL 190 CO -0.11 0.22 0.07 0.74 0.02 0.00 0.00 177.57 178.50 3jrm h THR 191 N 1.22 1.16 -0.84 2.57 2.02 -1.01 0.53 112.91 118.56 3jrm h THR 191 Ca 0.35 -0.50 0.08 0.00 0.77 0.00 0.00 66.41 67.12 3jrm h THR 191 Cb -0.07 1.18 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 3jrm h THR 191 CO -0.10 0.16 0.50 0.25 0.37 0.00 0.00 175.52 176.70 3jrm h LEU 192 N 0.12 0.74 -0.03 2.58 5.85 -0.78 0.25 115.31 124.03 3jrm h LEU 192 Ca 0.06 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3jrm h LEU 192 Cb 0.19 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 3jrm h LEU 192 CO -0.00 0.44 0.01 1.23 -0.34 0.00 0.00 178.44 179.78 3jrm h GLY 193 N 0.86 0.05 1.01 3.75 0.00 -0.53 -0.77 103.07 107.44 3jrm h GLY 193 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3jrm h GLY 193 CO -0.22 0.02 0.61 -2.22 0.00 0.00 0.00 176.54 174.74 3jrm h ILE 194 N -0.11 1.25 -0.04 2.60 1.08 -0.33 -0.46 117.51 121.49 3jrm h ILE 194 Ca 0.01 -0.49 0.01 0.00 -0.39 0.00 0.00 64.86 64.00 3jrm h ILE 194 Cb 0.17 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.78 3jrm h ILE 194 CO -0.00 0.25 -0.03 0.11 -0.69 0.00 0.00 178.15 177.79 3jrm h LYS 195 N 1.30 -0.04 -0.58 2.37 1.57 -0.77 -0.74 116.57 119.67 3jrm h LYS 195 Ca 0.35 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.15 3jrm h LYS 195 Cb -0.11 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3jrm h LYS 195 CO -0.07 -0.03 0.35 0.00 -0.57 0.00 0.00 179.45 179.13 3jrm h ALA 196 N 0.99 0.74 -0.07 3.86 0.00 -0.48 0.06 119.26 124.36 3jrm h ALA 196 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3jrm h ALA 196 Cb 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3jrm h ALA 196 CO -0.06 0.08 0.04 1.25 0.00 0.00 0.00 179.25 180.55 3jrm h LEU 197 N 0.69 0.09 -1.09 0.00 5.85 -0.96 -2.42 115.31 117.47 3jrm h LEU 197 Ca 0.23 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.98 3jrm h LEU 197 Cb 0.02 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 3jrm h LEU 197 CO -0.10 0.15 0.62 0.11 -0.34 0.00 0.00 178.44 178.88 3jrm h LYS 198 N 0.02 0.92 0.00 1.25 1.57 -0.57 -1.51 116.57 118.25 3jrm h LYS 198 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3jrm h LYS 198 Cb 0.08 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3jrm h LYS 198 CO -0.00 0.61 0.00 -1.13 -0.57 0.00 0.00 179.45 178.36 3jrm n SER 199 N -4.58 0.00 -0.00 0.86 3.41 -0.04 -1.86 113.62 111.41 3jrm n SER 199 Ca 0.18 0.33 0.09 0.00 -0.26 0.00 0.00 58.87 59.21 3jrm n SER 199 Cb 0.35 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 63.81 3jrm n SER 199 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jrm n SER 200 N -1.37 0.80 -4.80 4.04 3.41 -0.57 -4.87 113.62 110.26 3jrm n SER 200 Ca 0.02 -0.74 -0.34 0.00 -0.26 0.00 0.00 58.87 57.56 3jrm n SER 200 Cb 0.05 1.21 -0.03 0.00 -0.26 0.00 0.00 64.21 65.17 3jrm n SER 200 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3jrm s LEU 201 N -3.25 3.80 0.02 1.04 1.43 -0.78 -4.90 118.68 116.04 3jrm s LEU 201 Ca 0.04 1.87 -0.31 0.00 -1.03 0.00 0.00 54.13 54.70 3jrm s LEU 201 Cb 0.14 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.71 3jrm s LEU 201 CO 0.80 -0.77 1.96 -0.62 0.23 0.00 0.00 176.35 177.95 3jrm n GLU 202 N -1.09 2.75 -1.05 1.70 -0.58 -1.26 -4.97 120.64 116.13 3jrm n GLU 202 Ca 0.09 1.01 -0.33 0.00 -0.42 0.00 0.00 57.16 57.50 3jrm n GLU 202 Cb 0.53 -2.94 0.13 0.00 -0.57 0.00 0.00 31.44 28.59 3jrm n GLU 202 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3jrm n GLU 203 N 7.32 0.10 -3.40 3.49 -0.00 -1.26 -1.96 120.64 124.94 3jrm n GLU 203 Ca 0.20 0.11 -0.19 0.00 -0.00 0.00 0.00 57.16 57.29 3jrm n GLU 203 Cb 0.39 -2.42 0.07 0.00 -0.00 0.00 0.00 31.44 29.47 3jrm n GLU 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3jrm n GLY 204 N 0.53 -0.33 3.15 -1.84 0.00 -1.26 -5.04 105.19 100.40 3jrm n GLY 204 Ca 0.13 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 3jrm n GLY 204 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jrm s GLU 205 N -5.84 0.25 -0.01 1.61 2.12 -0.83 -5.15 118.70 110.85 3jrm s GLU 205 Ca 0.35 0.91 -0.18 0.00 0.36 0.00 0.00 54.97 56.41 3jrm s GLU 205 Cb -0.15 0.17 -0.06 0.00 0.26 0.00 0.00 34.13 34.35 3jrm s GLU 205 CO 0.64 -0.26 0.51 -2.00 -0.54 0.00 0.00 175.26 173.60 3jrm s GLU 206 N 2.50 4.17 -0.24 4.30 2.12 -1.26 -4.84 118.70 125.46 3jrm s GLU 206 Ca -0.01 0.57 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 3jrm s GLU 206 Cb -0.12 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 3jrm s GLU 206 CO -0.11 0.49 1.31 -1.17 -0.54 0.00 0.00 175.26 175.24 3jrm s LEU 207 N -0.51 3.99 0.95 2.70 2.96 -1.26 -5.04 118.68 122.47 3jrm s LEU 207 Ca 0.27 1.42 -0.15 0.00 -0.22 0.00 0.00 54.13 55.44 3jrm s LEU 207 Cb -0.17 -3.54 0.18 0.00 0.50 0.00 0.00 46.19 43.16 3jrm s LEU 207 CO 0.15 -0.98 1.28 -0.54 -1.32 0.00 0.00 176.35 174.94 3jrm s LYS 208 N 3.97 0.76 -0.14 1.98 1.02 -1.26 -4.95 119.74 121.13 3jrm s LYS 208 Ca 0.57 -0.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.97 3jrm s LYS 208 Cb -0.19 -1.85 -0.08 0.00 -0.52 0.00 0.00 37.83 35.19 3jrm s LYS 208 CO 0.21 -2.35 2.10 0.00 -0.92 0.00 0.00 175.35 174.39 3jrm n ALA 209 N -3.75 1.53 -1.94 5.17 0.00 -1.26 -4.94 120.51 115.31 3jrm n ALA 209 Ca 0.14 -0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.29 3jrm n ALA 209 Cb 0.60 -2.76 0.10 0.00 0.00 0.00 0.00 19.45 17.39 3jrm n ALA 209 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jrm s PRO 210 N 5.48 1.75 0.10 0.00 0.04 -1.26 -4.70 135.00 136.40 3jrm s PRO 210 Ca 0.97 -0.48 -0.19 0.00 0.04 0.00 0.00 61.00 61.35 3jrm s PRO 210 Cb -0.47 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 31.87 3jrm s PRO 210 CO 0.41 -1.54 0.58 -1.21 0.04 0.00 0.00 177.00 175.29 3jrm s GLU 211 N -5.36 4.18 -0.02 4.56 2.02 -0.35 -4.93 118.70 118.80 3jrm s GLU 211 Ca 0.64 0.72 0.01 0.00 0.02 0.00 0.00 54.97 56.36 3jrm s GLU 211 Cb -0.08 -3.17 0.02 0.00 0.10 0.00 0.00 34.13 31.00 3jrm s GLU 211 CO 0.46 0.60 -0.01 0.42 0.02 0.00 0.00 175.26 176.75 3jrm s ILE 212 N -1.19 0.22 0.02 -1.63 1.01 -1.26 -1.23 121.20 117.14 3jrm s ILE 212 Ca 0.31 0.02 0.02 0.00 0.00 0.00 0.00 60.65 61.00 3jrm s ILE 212 Cb -0.19 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 3jrm s ILE 212 CO 0.19 0.13 -0.07 0.00 0.00 0.00 0.00 174.94 175.20 3jrm s ALA 213 N 0.75 0.55 0.05 9.38 0.00 -0.64 -0.63 121.76 131.22 3jrm s ALA 213 Ca -0.08 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 3jrm s ALA 213 Cb -0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3jrm s ALA 213 CO -0.01 0.07 0.05 -1.54 0.00 0.00 0.00 175.76 174.32 3jrm s SER 214 N -0.78 0.30 -0.09 0.00 1.04 -0.64 -0.81 113.70 112.71 3jrm s SER 214 Ca -0.03 -0.75 -0.08 0.00 0.48 0.00 0.00 55.95 55.57 3jrm s SER 214 Cb -0.06 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.31 3jrm s SER 214 CO 0.00 -0.57 0.24 -0.51 0.98 0.00 0.00 173.24 173.38 3jrm s ILE 215 N -3.29 -0.00 0.13 -1.02 2.07 -0.87 -1.01 121.20 117.20 3jrm s ILE 215 Ca 0.01 0.01 0.09 0.00 -1.41 0.00 0.00 60.65 59.35 3jrm s ILE 215 Cb 0.03 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 3jrm s ILE 215 CO -0.08 0.00 -0.22 0.42 -1.91 0.00 0.00 174.94 173.16 3jrm s THR 216 N 0.18 1.88 0.22 4.00 -4.23 -1.26 -1.74 115.64 114.69 3jrm s THR 216 Ca -0.00 -1.70 -0.30 0.00 -1.18 0.00 0.00 61.69 58.50 3jrm s THR 216 Cb -0.02 -1.74 -0.15 0.00 1.34 0.00 0.00 72.50 71.93 3jrm s THR 216 CO -0.00 -0.10 1.00 0.52 -0.54 0.00 0.00 174.62 175.51 3jrm n VAL 217 N 0.81 1.47 -1.15 2.29 0.31 0.13 -1.62 118.33 120.57 3jrm n VAL 217 Ca -0.17 -0.37 -0.05 0.00 -0.01 0.00 0.00 64.34 63.74 3jrm n VAL 217 Cb 0.54 -0.76 -0.02 0.00 -0.91 0.00 0.00 33.84 32.70 3jrm n VAL 217 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jrm n GLY 218 N 1.68 0.78 3.25 2.92 0.00 -1.26 -5.02 105.19 107.54 3jrm n GLY 218 Ca 0.13 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 3jrm n GLY 218 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jrm s ASN 219 N -2.75 0.64 0.49 1.61 0.01 -0.64 -5.16 114.94 109.14 3jrm s ASN 219 Ca 0.00 -1.40 -0.01 0.00 -0.71 0.00 0.00 52.86 50.74 3jrm s ASN 219 Cb 0.00 0.30 0.01 0.00 0.41 0.00 0.00 41.25 41.96 3jrm s ASN 219 CO 0.00 -0.80 0.73 -0.54 -1.51 0.00 0.00 177.10 174.98 3jrm s LYS 220 N -4.08 2.95 0.52 -0.60 1.02 -1.26 -4.68 119.74 113.61 3jrm s LYS 220 Ca 0.38 -0.44 -0.22 0.00 0.02 0.00 0.00 55.97 55.71 3jrm s LYS 220 Cb 0.07 -2.49 -0.06 0.00 -0.52 0.00 0.00 37.83 34.83 3jrm s LYS 220 CO 0.13 -0.43 1.32 0.71 -0.92 0.00 0.00 175.35 176.17 3jrm s TYR 221 N -2.67 2.42 -0.03 3.18 1.51 -0.67 -4.62 117.35 116.47 3jrm s TYR 221 Ca 0.51 1.40 0.04 0.00 -1.01 0.00 0.00 57.07 58.01 3jrm s TYR 221 Cb -0.10 -3.72 -0.00 0.00 -0.11 0.00 0.00 41.96 38.03 3jrm s TYR 221 CO 0.39 -2.60 -0.15 -0.98 -1.11 0.00 0.00 175.55 171.10 3jrm s ARG 222 N -2.83 1.47 -0.23 -0.62 1.70 -0.18 -5.00 118.95 113.24 3jrm s ARG 222 Ca 0.69 -0.53 -0.14 0.00 -0.47 0.00 0.00 55.73 55.27 3jrm s ARG 222 Cb -0.38 -1.33 -0.04 0.00 -0.57 0.00 0.00 34.95 32.63 3jrm s ARG 222 CO 0.45 0.24 0.34 0.42 -1.08 0.00 0.00 175.30 175.68 3jrm s ILE 223 N -0.05 5.22 0.28 4.99 -1.09 -1.26 -1.62 121.20 127.66 3jrm s ILE 223 Ca -0.01 0.56 -0.30 0.00 -2.23 0.00 0.00 60.65 58.67 3jrm s ILE 223 Cb -0.09 -3.67 -0.10 0.00 -1.58 0.00 0.00 42.46 37.01 3jrm s ILE 223 CO 0.01 0.24 1.40 -0.31 -1.23 0.00 0.00 174.94 175.04 3jrm s TYR 224 N 1.52 3.02 0.46 3.97 1.51 0.19 -5.01 117.35 123.02 3jrm s TYR 224 Ca 0.15 1.16 -0.07 0.00 -1.01 0.00 0.00 57.07 57.30 3jrm s TYR 224 Cb -0.15 -3.78 -0.04 0.00 -0.11 0.00 0.00 41.96 37.88 3jrm s TYR 224 CO 0.08 -2.40 0.79 0.16 -1.11 0.00 0.00 175.55 173.07 3jrm s ASP 225 N 0.09 6.33 0.27 2.29 -4.77 -1.26 -4.63 116.67 114.99 3jrm s ASP 225 Ca 0.56 1.00 -0.09 0.00 -3.30 0.00 0.00 52.55 50.72 3jrm s ASP 225 Cb -0.41 -2.27 0.43 0.00 -1.09 0.00 0.00 42.92 39.58 3jrm s ASP 225 CO 0.47 -0.54 1.57 1.56 0.70 0.00 0.00 175.17 178.93 3jrm h GLN 226 N 0.49 0.00 -0.37 2.11 7.50 -1.95 -1.02 115.11 121.87 3jrm h GLN 226 Ca -0.47 -0.00 -0.08 0.00 0.50 0.00 0.00 58.65 58.61 3jrm h GLN 226 Cb 1.20 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.71 3jrm h GLN 226 CO 0.62 0.00 -0.09 0.93 -1.50 0.00 0.00 178.83 178.80 3jrm h GLU 227 N 0.00 0.63 -0.25 1.46 5.08 -2.00 -0.67 114.58 118.82 3jrm h GLU 227 Ca 0.46 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 3jrm h GLU 227 Cb 0.70 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3jrm h GLU 227 CO -0.97 0.71 -0.10 1.49 -1.00 0.00 0.00 179.01 179.13 3jrm h GLU 228 N 0.58 0.41 -0.22 2.33 4.81 -1.58 -3.10 114.58 117.80 3jrm h GLU 228 Ca 0.11 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3jrm h GLU 228 Cb 0.50 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3jrm h GLU 228 CO 0.03 0.52 -0.39 0.28 -0.73 0.00 0.00 179.01 178.72 3jrm h VAL 229 N 0.38 1.32 -0.93 0.32 2.07 -0.85 -3.28 116.25 115.28 3jrm h VAL 229 Ca 0.08 -1.60 0.07 0.00 0.82 0.00 0.00 66.70 66.06 3jrm h VAL 229 Cb 0.42 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 3jrm h VAL 229 CO 0.02 0.50 0.60 0.11 0.02 0.00 0.00 177.57 178.83 3jrm h LYS 230 N 0.36 1.00 0.00 1.57 1.57 -1.09 -0.60 116.57 119.38 3jrm h LYS 230 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3jrm h LYS 230 Cb 0.99 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3jrm h LYS 230 CO 0.09 0.66 0.17 1.63 -0.57 0.00 0.00 179.45 181.43 3jrm n LYS 231 N -4.50 0.00 0.00 3.15 5.02 -1.20 0.08 118.16 120.70 3jrm n LYS 231 Ca 0.15 0.23 0.05 0.00 -2.02 0.00 0.00 58.31 56.71 3jrm n LYS 231 Cb 0.22 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 3jrm n LYS 231 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3jrm n PHE 232 N -1.18 0.00 1.88 2.13 3.01 -0.23 -5.16 117.46 117.90 3jrm n PHE 232 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.62 3jrm n PHE 232 Cb 0.17 0.00 0.84 0.00 -0.01 0.00 0.00 39.48 40.48 3jrm n PHE 232 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05