#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 2.48 0.00 0.00 4.01 -1.26 -4.52 117.16 117.87 3jrm n TYR 8 Ca 0.00 -1.70 0.00 0.00 -0.16 0.00 0.00 57.90 56.04 3jrm n TYR 8 Cb 0.00 -0.86 0.00 0.00 -0.31 0.00 0.00 39.34 38.17 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 -0.78 0.31 -0.05 7.72 2.03 -1.26 -4.45 116.55 120.07 3jrm n ASP 9 Ca 0.48 -0.12 0.01 0.00 0.52 0.00 0.00 54.79 55.69 3jrm n ASP 9 Cb 1.35 0.30 -0.00 0.00 -0.72 0.00 0.00 41.12 42.05 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 -0.33 2.55 -3.72 -0.67 5.12 -1.26 -4.39 116.66 113.95 3jrm n ARG 10 Ca 0.00 -0.35 -0.16 0.00 -1.93 0.00 0.00 57.85 55.41 3jrm n ARG 10 Cb 0.00 -0.84 -0.16 0.00 -1.16 0.00 0.00 32.46 30.30 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 -0.67 0.02 0.64 7.54 0.00 -1.26 -5.03 121.76 123.00 3jrm s ALA 11 Ca 0.02 0.38 0.31 0.00 0.00 0.00 0.00 51.96 52.67 3jrm s ALA 11 Cb 0.02 -0.47 1.66 0.00 0.00 0.00 0.00 23.12 24.33 3jrm s ALA 11 CO 0.06 -0.28 1.98 0.97 0.00 0.00 0.00 175.76 178.48 3jrm h ILE 12 N 6.30 0.17 -0.29 0.00 6.09 -1.93 -2.13 117.51 125.71 3jrm h ILE 12 Ca -0.32 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 3jrm h ILE 12 Cb 1.12 0.71 0.00 0.00 0.47 0.00 0.00 36.82 39.12 3jrm h ILE 12 CO 0.34 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.77 3jrm n THR 13 N -3.25 0.37 -3.82 2.19 -2.24 -1.26 -4.69 114.28 101.58 3jrm n THR 13 Ca 0.01 -0.57 -0.36 0.00 -2.27 0.00 0.00 64.05 60.86 3jrm n THR 13 Cb 0.41 0.72 -0.12 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.63 4.45 0.30 2.28 1.01 -0.80 -5.09 120.40 120.93 3jrm s VAL 14 Ca 0.35 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.95 3jrm s VAL 14 Cb 0.20 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.42 3jrm s VAL 14 CO 0.29 0.36 0.91 -0.36 0.00 0.00 0.00 175.10 176.30 3jrm s PHE 15 N 1.36 3.71 0.73 5.22 0.08 -1.26 -4.67 117.98 123.16 3jrm s PHE 15 Ca 0.05 1.74 -0.11 0.00 0.12 0.00 0.00 56.93 58.74 3jrm s PHE 15 Cb -0.15 -2.89 0.03 0.00 -0.57 0.00 0.00 43.02 39.44 3jrm s PHE 15 CO 0.04 0.25 1.07 -1.54 -0.10 0.00 0.00 175.22 174.94 3jrm s SER 16 N -1.58 5.08 0.66 1.36 1.04 -0.16 -4.89 113.70 115.21 3jrm s SER 16 Ca 0.48 1.49 0.35 0.00 0.48 0.00 0.00 55.95 58.75 3jrm s SER 16 Cb -0.19 -2.32 1.91 0.00 0.10 0.00 0.00 66.02 65.53 3jrm s SER 16 CO 0.24 -1.62 2.09 -0.65 0.98 0.00 0.00 173.24 174.29 3jrm h PRO 17 N -0.84 0.00 -0.19 4.02 0.11 -1.97 0.18 132.00 133.31 3jrm h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3jrm h PRO 17 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3jrm h PRO 17 CO 0.58 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.12 3jrm n ASP 18 N -3.05 1.81 -0.67 -2.05 8.00 -1.26 -4.95 116.55 114.38 3jrm n ASP 18 Ca -0.02 -1.74 -0.01 0.00 0.71 0.00 0.00 54.79 53.73 3jrm n ASP 18 Cb 0.27 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.16 0.84 3.52 0.44 0.00 0.62 -5.07 105.19 106.69 3jrm n GLY 19 Ca 0.16 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.90 1.87 -0.61 1.61 0.52 -1.25 -4.88 118.95 111.32 3jrm s ARG 20 Ca 0.02 -1.27 0.03 0.00 -0.52 0.00 0.00 55.73 53.99 3jrm s ARG 20 Cb -0.01 -2.10 0.15 0.00 0.52 0.00 0.00 34.95 33.51 3jrm s ARG 20 CO 0.02 0.45 0.38 -0.51 0.02 0.00 0.00 175.30 175.66 3jrm s LEU 21 N -2.53 4.65 0.31 2.53 1.43 -1.26 -0.98 118.68 122.82 3jrm s LEU 21 Ca 0.22 -3.26 0.03 0.00 -1.03 0.00 0.00 54.13 50.08 3jrm s LEU 21 Cb -0.09 -1.68 0.51 0.00 0.03 0.00 0.00 46.19 44.95 3jrm s LEU 21 CO 0.12 -0.21 1.81 -0.26 0.23 0.00 0.00 176.35 178.05 3jrm h PHE 22 N 6.24 0.57 -0.59 0.29 0.04 -1.83 -1.61 116.94 120.06 3jrm h PHE 22 Ca 0.00 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.69 3jrm h PHE 22 Cb 0.86 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.82 3jrm h PHE 22 CO 0.60 0.61 0.38 0.37 -0.60 0.00 0.00 178.31 179.67 3jrm h GLN 23 N 0.50 0.78 -0.42 1.51 5.75 -1.87 0.34 115.11 121.71 3jrm h GLN 23 Ca 0.10 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 3jrm h GLN 23 Cb 0.46 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 3jrm h GLN 23 CO 0.02 0.53 -0.21 0.28 -2.65 0.00 0.00 178.83 176.80 3jrm h VAL 24 N 0.81 1.27 -0.03 2.39 2.07 -1.68 -1.68 116.25 119.40 3jrm h VAL 24 Ca 0.22 -1.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 3jrm h VAL 24 Cb -0.07 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3jrm h VAL 24 CO -0.04 0.45 -0.41 -0.33 0.02 0.00 0.00 177.57 177.26 3jrm h GLU 25 N 0.73 0.06 -0.14 1.57 5.08 -0.77 -2.49 114.58 118.62 3jrm h GLU 25 Ca 0.10 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.23 3jrm h GLU 25 Cb 0.74 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3jrm h GLU 25 CO 0.06 0.46 -0.73 1.88 -1.00 0.00 0.00 179.01 179.68 3jrm h TYR 26 N 0.05 0.88 -1.00 4.33 0.99 -0.11 -2.81 116.97 119.29 3jrm h TYR 26 Ca 0.00 -0.38 0.14 0.00 2.00 0.00 0.00 58.73 60.49 3jrm h TYR 26 Cb 0.75 -0.14 -0.09 0.00 1.00 0.00 0.00 36.73 38.25 3jrm h TYR 26 CO 0.00 1.18 0.63 0.00 -0.00 0.00 0.00 178.16 179.97 3jrm h ALA 27 N 0.72 1.57 0.00 3.88 0.00 -1.05 -0.63 119.26 123.76 3jrm h ALA 27 Ca -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3jrm h ALA 27 Cb 1.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3jrm h ALA 27 CO 0.14 0.15 -0.09 0.00 0.00 0.00 0.00 179.25 179.46 3jrm h ARG 28 N 0.93 0.00 -0.08 0.00 3.08 -1.20 -1.51 114.38 115.61 3jrm h ARG 28 Ca 0.52 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.44 3jrm h ARG 28 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3jrm h ARG 28 CO -0.29 0.09 -0.50 0.93 -1.07 0.00 0.00 179.97 179.13 3jrm h GLU 29 N 0.00 0.22 -0.97 0.04 4.39 -0.97 -2.87 114.58 114.42 3jrm h GLU 29 Ca -0.00 -0.12 0.12 0.00 0.34 0.00 0.00 59.36 59.70 3jrm h GLU 29 Cb 0.19 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 3jrm h GLU 29 CO 0.01 0.67 0.62 0.00 -1.16 0.00 0.00 179.01 179.14 3jrm h ALA 30 N 1.31 1.58 -0.47 3.43 0.00 -1.10 -2.42 119.26 121.60 3jrm h ALA 30 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3jrm h ALA 30 Cb 0.94 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3jrm h ALA 30 CO 0.08 0.18 0.13 0.28 0.00 0.00 0.00 179.25 179.92 3jrm h VAL 31 N 0.94 1.20 0.00 0.00 2.07 -1.51 -2.50 116.25 116.45 3jrm h VAL 31 Ca 0.48 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3jrm h VAL 31 Cb 0.51 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3jrm h VAL 31 CO -0.24 0.26 -0.08 0.11 0.02 0.00 0.00 177.57 177.64 3jrm h LYS 32 N 0.68 0.00 0.00 1.57 1.57 -1.47 -2.24 116.57 116.68 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 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3jrm h LYS 32 CO -0.01 0.08 0.00 1.63 -0.57 0.00 0.00 179.45 180.58 3jrm n LYS 33 N -3.61 0.02 -2.41 3.15 5.02 -0.94 -2.68 118.16 116.71 3jrm n LYS 33 Ca -0.02 0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 56.06 3jrm n LYS 33 Cb 0.19 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.97 1.75 0.53 0.72 0.00 -0.84 -4.86 107.32 101.64 3jrm s GLY 34 Ca 0.12 -0.19 -0.18 0.00 0.00 0.00 0.00 44.72 44.47 3jrm s GLY 34 CO 0.43 0.03 1.03 -1.35 0.00 0.00 0.00 173.10 173.24 3jrm s SER 35 N -3.74 6.22 0.38 1.64 1.04 -1.26 -0.49 113.70 117.49 3jrm s SER 35 Ca 0.53 1.79 -0.26 0.00 0.48 0.00 0.00 55.95 58.49 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 0.42 -0.86 1.14 -0.89 0.98 0.00 0.00 173.24 174.03 3jrm s THR 36 N -2.32 3.29 0.05 2.02 2.01 -1.26 -4.59 115.64 114.84 3jrm s THR 36 Ca 0.64 1.11 -0.00 0.00 0.31 0.00 0.00 61.69 63.74 3jrm s THR 36 Cb -0.14 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3jrm s THR 36 CO 0.29 0.12 -0.04 0.00 -0.69 0.00 0.00 174.62 174.30 3jrm s ALA 37 N -1.40 0.52 0.11 7.40 0.00 -0.66 -1.22 121.76 126.52 3jrm s ALA 37 Ca 0.55 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 3jrm s ALA 37 Cb -0.30 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3jrm s ALA 37 CO 0.38 -0.31 0.33 -0.48 0.00 0.00 0.00 175.76 175.68 3jrm s LEU 38 N -2.67 0.77 0.02 0.00 0.05 -0.00 -1.42 118.68 115.42 3jrm s LEU 38 Ca 0.04 -0.45 -0.01 0.00 0.05 0.00 0.00 54.13 53.76 3jrm s LEU 38 Cb 0.04 1.55 -0.02 0.00 -2.05 0.00 0.00 46.19 45.71 3jrm s LEU 38 CO -0.08 -0.81 -0.01 -0.83 -0.55 0.00 0.00 176.35 174.07 3jrm s GLY 39 N -2.83 0.24 -0.07 -3.48 0.00 -0.78 -0.68 107.32 99.72 3jrm s GLY 39 Ca 0.04 -0.59 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 3jrm s GLY 39 CO -0.11 -0.66 0.27 -3.16 0.00 0.00 0.00 173.10 169.43 3jrm s MET 40 N -1.61 0.42 0.33 2.90 0.23 -0.82 -1.51 119.30 119.23 3jrm s MET 40 Ca -0.14 0.18 -0.27 0.00 -1.03 0.00 0.00 55.69 54.42 3jrm s MET 40 Cb -0.09 0.19 -0.09 0.00 -1.53 0.00 0.00 34.83 33.31 3jrm s MET 40 CO -0.01 -0.08 1.09 0.15 -2.03 0.00 0.00 175.02 174.14 3jrm s LYS 41 N -0.33 4.43 0.00 3.16 1.02 0.10 -1.62 119.74 126.51 3jrm s LYS 41 Ca -0.04 1.72 0.00 0.00 0.02 0.00 0.00 55.97 57.67 3jrm s LYS 41 Cb -0.03 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 3jrm s LYS 41 CO 0.01 0.05 0.00 1.97 -0.92 0.00 0.00 175.35 176.46 3jrm n PHE 42 N 0.69 0.00 -1.55 3.18 1.16 -0.15 -4.63 117.46 116.16 3jrm n PHE 42 Ca 0.01 0.00 -0.45 0.00 -1.87 0.00 0.00 57.45 55.14 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 -3.00 1.55 -2.87 1.98 0.00 -0.11 -2.21 120.51 115.85 3jrm n ALA 43 Ca 0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 3jrm n ALA 43 Cb 0.00 -2.81 0.01 0.00 0.00 0.00 0.00 19.45 16.66 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 11.19 -5.15 -3.46 0.00 4.13 -1.26 -4.84 115.26 115.86 3jrm n ASN 44 Ca 0.34 -0.17 -0.01 0.00 1.68 0.00 0.00 54.58 56.43 3jrm n ASN 44 Cb 0.38 -4.23 0.02 0.00 -1.54 0.00 0.00 39.78 34.40 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 -1.22 0.45 3.31 7.41 0.00 -0.94 0.01 105.19 114.23 3jrm n GLY 45 Ca -0.12 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.05 0.03 0.12 1.61 0.11 -0.75 -0.98 120.40 118.50 3jrm s VAL 46 Ca 0.25 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 3jrm s VAL 46 Cb -0.02 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 3jrm s VAL 46 CO 0.03 -0.16 -0.01 -1.48 -3.33 0.00 0.00 175.10 170.15 3jrm s LEU 47 N -0.99 2.24 -0.02 2.54 0.05 -0.64 -2.12 118.68 119.75 3jrm s LEU 47 Ca -0.10 -1.09 0.04 0.00 0.05 0.00 0.00 54.13 53.02 3jrm s LEU 47 Cb -0.04 0.06 -0.01 0.00 -2.05 0.00 0.00 46.19 44.15 3jrm s LEU 47 CO 0.05 -0.57 -0.12 -0.76 -0.55 0.00 0.00 176.35 174.39 3jrm s LEU 48 N -3.06 1.96 -0.04 1.48 1.43 0.12 -1.95 118.68 118.63 3jrm s LEU 48 Ca 0.17 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3jrm s LEU 48 Cb 0.06 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.64 3jrm s LEU 48 CO -0.02 0.13 -0.11 -0.63 0.23 0.00 0.00 176.35 175.95 3jrm s ILE 49 N -0.15 1.00 -0.08 -0.59 1.01 0.15 -1.70 121.20 120.83 3jrm s ILE 49 Ca 0.02 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3jrm s ILE 49 Cb -0.06 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.54 3jrm s ILE 49 CO -0.00 0.31 -0.12 -0.55 0.00 0.00 0.00 174.94 174.57 3jrm s SER 50 N 0.27 1.96 0.51 3.58 0.15 -0.19 -0.82 113.70 119.16 3jrm s SER 50 Ca -0.06 -0.32 -0.21 0.00 0.70 0.00 0.00 55.95 56.05 3jrm s SER 50 Cb -0.11 -0.88 -0.06 0.00 -1.71 0.00 0.00 66.02 63.26 3jrm s SER 50 CO 0.01 0.01 1.19 -0.62 1.20 0.00 0.00 173.24 175.03 3jrm s ASP 51 N 0.86 5.82 -0.21 5.45 2.15 -0.36 -1.03 116.67 129.35 3jrm s ASP 51 Ca -0.11 2.35 0.01 0.00 0.43 0.00 0.00 52.55 55.23 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 -1.16 -0.08 -0.54 -0.17 0.00 0.00 175.17 173.23 3jrm s LYS 52 N -2.93 1.83 -0.95 4.34 1.02 -1.26 -4.65 119.74 117.14 3jrm s LYS 52 Ca 0.68 -0.87 -0.26 0.00 0.02 0.00 0.00 55.97 55.54 3jrm s LYS 52 Cb -0.29 -2.45 -0.18 0.00 -0.52 0.00 0.00 37.83 34.39 3jrm s LYS 52 CO 0.35 -0.49 2.24 -1.59 -0.92 0.00 0.00 175.35 174.93 3jrm s LYS 53 N 1.41 1.45 0.26 1.68 -2.85 -1.26 -4.91 119.74 115.52 3jrm s LYS 53 Ca -0.03 -0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 54.61 3jrm s LYS 53 Cb -0.17 -4.90 -0.09 0.00 -2.06 0.00 0.00 37.83 30.60 3jrm s LYS 53 CO -0.07 -4.91 1.08 0.08 0.10 0.00 0.00 175.35 171.62 3jrm s VAL 54 N 15.60 3.62 0.00 1.79 1.01 -1.26 -4.94 120.40 136.22 3jrm s VAL 54 Ca 0.86 1.60 0.00 0.00 0.00 0.00 0.00 61.98 64.43 3jrm s VAL 54 Cb -0.09 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3jrm s VAL 54 CO 0.13 0.37 0.65 -2.11 0.00 0.00 0.00 175.10 174.13 3jrm n ARG 55 N 1.40 0.00 0.00 2.72 -4.01 -1.26 -5.10 116.66 110.41 3jrm n ARG 55 Ca -0.01 -0.44 0.00 0.00 -1.04 0.00 0.00 57.85 56.36 3jrm n ARG 55 Cb 0.45 -0.24 0.00 0.00 -3.04 0.00 0.00 32.46 29.63 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 0.10 2.89 2.88 -1.26 -4.98 113.62 113.25 3jrm n SER 56 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 3jrm n SER 56 Cb 0.58 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 64.47 3jrm n SER 56 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3jrm n ARG 57 N -1.45 0.23 0.07 -1.46 1.85 -1.26 -3.14 116.66 111.50 3jrm n ARG 57 Ca 0.00 0.24 0.13 0.00 -1.00 0.00 0.00 57.85 57.21 3jrm n ARG 57 Cb 0.00 -1.79 0.47 0.00 -1.05 0.00 0.00 32.46 30.08 3jrm n ARG 57 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3jrm n LEU 58 N -2.20 0.51 -4.79 2.89 4.77 -1.26 -4.80 117.00 112.11 3jrm n LEU 58 Ca 0.05 0.57 -0.33 0.00 -0.03 0.00 0.00 56.01 56.26 3jrm n LEU 58 Cb 0.38 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3jrm n LEU 58 CO 0.28 -0.21 0.73 -0.63 -1.33 0.00 0.00 177.39 176.23 3jrm s ILE 59 N -3.11 3.65 -0.30 -0.08 -1.09 -1.19 -5.03 121.20 114.06 3jrm s ILE 59 Ca 0.10 0.89 -0.21 0.00 -2.23 0.00 0.00 60.65 59.20 3jrm s ILE 59 Cb 0.13 -3.36 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 3jrm s ILE 59 CO 0.51 -0.36 0.64 -1.61 -1.23 0.00 0.00 174.94 172.90 3jrm s GLU 60 N -3.70 3.91 -0.08 2.79 0.41 -1.26 -4.98 118.70 115.80 3jrm s GLU 60 Ca 0.66 0.33 -0.18 0.00 -0.41 0.00 0.00 54.97 55.38 3jrm s GLU 60 Cb -0.18 -3.72 -0.14 0.00 -1.78 0.00 0.00 34.13 28.31 3jrm s GLU 60 CO 0.31 -0.57 0.65 0.37 -0.49 0.00 0.00 175.26 175.52 3jrm h GLN 61 N 8.17 -0.13 0.00 1.61 -0.00 -1.95 -3.28 115.11 119.53 3jrm h GLN 61 Ca -0.26 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.39 3jrm h GLN 61 Cb 1.12 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.63 3jrm h GLN 61 CO 0.81 0.32 0.17 -2.95 0.00 0.00 0.00 178.83 177.18 3jrm h ASN 62 N -0.93 0.00 0.00 -0.69 7.08 -2.05 -3.35 115.58 115.63 3jrm h ASN 62 Ca -0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 3jrm h ASN 62 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.75 3jrm h ASN 62 CO 0.02 0.00 0.00 -0.24 -2.08 0.00 0.00 177.43 175.13 3jrm n SER 63 N -2.73 0.00 -3.32 6.14 2.88 -1.24 -4.95 113.62 110.41 3jrm n SER 63 Ca -0.02 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 57.05 3jrm n SER 63 Cb 0.22 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.60 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 -3.58 2.46 -6.64 -1.25 -4.96 119.36 105.39 3jrm n ILE 64 Ca 0.00 0.00 -0.17 0.00 -1.77 0.00 0.00 62.75 60.81 3jrm n ILE 64 Cb 0.00 -0.36 -0.07 0.00 -1.44 0.00 0.00 39.64 37.77 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 2.76 0.95 0.10 6.28 -1.05 -1.26 -4.93 118.70 121.54 3jrm s GLU 65 Ca 0.78 0.34 0.07 0.00 -0.15 0.00 0.00 54.97 56.02 3jrm s GLU 65 Cb -1.08 0.45 -0.22 0.00 -0.44 0.00 0.00 34.13 32.84 3jrm s GLU 65 CO 0.56 -0.26 1.19 0.87 0.95 0.00 0.00 175.26 178.57 3jrm h LYS 66 N 3.56 0.01 -6.49 -4.83 1.57 -1.93 -3.43 116.57 105.03 3jrm h LYS 66 Ca -0.28 -0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 57.96 3jrm h LYS 66 Cb 1.15 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3jrm h LYS 66 CO 0.33 0.94 0.39 0.42 -0.57 0.00 0.00 179.45 180.96 3jrm s ILE 67 N -2.69 4.62 -0.05 1.86 1.01 -1.26 -3.95 121.20 120.74 3jrm s ILE 67 Ca 0.00 2.00 0.01 0.00 0.00 0.00 0.00 60.65 62.66 3jrm s ILE 67 Cb 0.10 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.31 3jrm s ILE 67 CO 0.82 0.22 -0.06 -1.10 0.00 0.00 0.00 174.94 174.83 3jrm s GLN 68 N 0.57 0.97 0.14 2.79 -1.52 0.00 -4.99 119.66 117.63 3jrm s GLN 68 Ca 0.50 -0.15 -0.31 0.00 -1.95 0.00 0.00 55.36 53.46 3jrm s GLN 68 Cb -0.23 -0.96 -0.08 0.00 -0.22 0.00 0.00 33.01 31.53 3jrm s GLN 68 CO 0.29 -0.08 1.31 -0.51 -0.25 0.00 0.00 175.29 176.05 3jrm s LEU 69 N 0.95 4.40 -0.14 2.90 1.43 -1.26 -0.83 118.68 126.13 3jrm s LEU 69 Ca -0.10 2.29 -0.12 0.00 -1.03 0.00 0.00 54.13 55.17 3jrm s LEU 69 Cb -0.14 -3.60 -0.25 0.00 0.03 0.00 0.00 46.19 42.23 3jrm s LEU 69 CO 0.00 -0.55 0.35 0.40 0.23 0.00 0.00 176.35 176.79 3jrm h ILE 70 N 4.06 0.75 -1.00 -0.59 1.08 -0.82 -3.47 117.51 117.52 3jrm h ILE 70 Ca -0.43 -2.31 0.00 0.00 -0.39 0.00 0.00 64.86 61.73 3jrm h ILE 70 Cb 1.21 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 37.42 3jrm h ILE 70 CO 0.81 0.73 0.00 -0.90 -0.69 0.00 0.00 178.15 178.10 3jrm n ASP 71 N -3.78 0.00 0.27 1.72 3.85 -0.88 -4.72 116.55 113.00 3jrm n ASP 71 Ca -0.31 0.00 0.17 0.00 -0.71 0.00 0.00 54.79 53.94 3jrm n ASP 71 Cb 0.94 0.00 0.63 0.00 -1.35 0.00 0.00 41.12 41.34 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 -0.11 -1.12 3.32 -2.00 -3.25 116.42 113.27 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 -3.07 0.14 -3.71 4.55 4.02 -1.26 -1.68 117.16 116.15 3jrm n TYR 73 Ca 0.01 -0.24 -0.11 0.00 -0.01 0.00 0.00 57.90 57.55 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 -0.78 -0.03 0.20 -0.72 1.01 -1.23 -1.78 120.40 117.09 3jrm s VAL 74 Ca 0.11 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.24 3jrm s VAL 74 Cb 0.06 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 3jrm s VAL 74 CO 0.09 0.04 -0.05 0.00 0.00 0.00 0.00 175.10 175.18 3jrm s ALA 75 N 1.26 1.75 0.02 5.51 0.00 0.17 -0.08 121.76 130.39 3jrm s ALA 75 Ca -0.09 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.21 3jrm s ALA 75 Cb -0.09 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 3jrm s ALA 75 CO -0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 175.76 175.45 3jrm s ALA 76 N -3.32 0.37 0.12 0.00 0.00 -0.01 -1.55 121.76 117.37 3jrm s ALA 76 Ca 0.24 -0.49 0.09 0.00 0.00 0.00 0.00 51.96 51.80 3jrm s ALA 76 Cb 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3jrm s ALA 76 CO 0.06 -0.02 -0.18 0.14 0.00 0.00 0.00 175.76 175.77 3jrm s VAL 77 N -0.90 2.86 0.23 0.00 -7.23 -0.54 -0.82 120.40 114.01 3jrm s VAL 77 Ca -0.07 -1.50 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 3jrm s VAL 77 Cb -0.07 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 3jrm s VAL 77 CO -0.00 0.10 -0.07 0.42 -0.31 0.00 0.00 175.10 175.24 3jrm s THR 78 N -1.15 1.44 -0.16 5.32 -4.23 -1.25 -0.61 115.64 115.00 3jrm s THR 78 Ca 0.18 -2.11 -0.12 0.00 -1.18 0.00 0.00 61.69 58.46 3jrm s THR 78 Cb -0.11 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.52 3jrm s THR 78 CO 0.10 -0.43 0.40 -0.55 -0.54 0.00 0.00 174.62 173.61 3jrm s SER 79 N -3.35 -0.45 0.00 3.99 0.15 -0.55 -4.94 113.70 108.55 3jrm s SER 79 Ca 0.26 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.74 3jrm s SER 79 Cb 0.03 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 3jrm s SER 79 CO 0.09 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.98 3jrm n GLY 80 N 3.39 0.38 3.66 9.45 0.00 -1.26 -1.40 105.19 119.41 3jrm n GLY 80 Ca -0.17 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 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 4.39 0.15 0.99 1.43 -0.32 -4.76 118.68 120.56 3jrm s LEU 81 Ca 0.00 2.61 -0.16 0.00 -1.03 0.00 0.00 54.13 55.55 3jrm s LEU 81 Cb 0.00 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.70 3jrm s LEU 81 CO 0.00 -1.07 1.76 -0.37 0.23 0.00 0.00 176.35 176.90 3jrm h VAL 82 N 5.68 1.15 -0.51 -1.59 -1.51 -1.96 -1.54 116.25 115.97 3jrm h VAL 82 Ca -0.48 -0.36 -0.05 0.00 -1.23 0.00 0.00 66.70 64.58 3jrm h VAL 82 Cb 1.23 0.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.02 3jrm h VAL 82 CO 0.94 0.15 0.14 0.00 -1.23 0.00 0.00 177.57 177.57 3jrm h ALA 83 N 1.09 0.67 -0.56 5.19 0.00 -2.00 -1.00 119.26 122.65 3jrm h ALA 83 Ca 0.15 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3jrm h ALA 83 Cb 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3jrm h ALA 83 CO -0.02 0.35 0.26 -0.44 0.00 0.00 0.00 179.25 179.40 3jrm h ASP 84 N 0.70 0.34 -0.95 0.00 5.19 -1.93 -2.21 116.42 117.56 3jrm h ASP 84 Ca 0.16 0.04 0.04 0.00 -0.62 0.00 0.00 57.03 56.66 3jrm h ASP 84 Cb 0.31 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.75 3jrm h ASP 84 CO -0.00 0.23 0.62 0.00 -3.12 0.00 0.00 179.24 176.96 3jrm h ALA 85 N 1.33 1.27 -0.38 3.45 0.00 -0.62 -2.16 119.26 122.15 3jrm h ALA 85 Ca 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3jrm h ALA 85 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3jrm h ALA 85 CO -0.21 0.47 0.14 -0.09 0.00 0.00 0.00 179.25 179.57 3jrm h ARG 86 N 1.18 0.57 -0.61 0.00 2.43 -0.60 -1.12 114.38 116.23 3jrm h ARG 86 Ca 0.38 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 3jrm h ARG 86 Cb 0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3jrm h ARG 86 CO -0.13 0.56 0.21 0.28 -1.51 0.00 0.00 179.97 179.38 3jrm h VAL 87 N 0.46 1.22 -0.06 0.20 2.07 -1.07 -1.33 116.25 117.75 3jrm h VAL 87 Ca 0.12 -0.74 -0.21 0.00 0.82 0.00 0.00 66.70 66.69 3jrm h VAL 87 Cb 0.21 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3jrm h VAL 87 CO -0.01 0.29 -0.84 -0.07 0.02 0.00 0.00 177.57 176.96 3jrm h LEU 88 N 0.88 0.60 -0.42 2.57 3.38 -1.06 -1.96 115.31 119.30 3jrm h LEU 88 Ca 0.20 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3jrm h LEU 88 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3jrm h LEU 88 CO -0.01 1.21 0.05 0.58 0.09 0.00 0.00 178.44 180.35 3jrm h VAL 89 N 0.31 1.25 -0.65 1.22 2.07 -0.95 -0.50 116.25 119.01 3jrm h VAL 89 Ca -0.06 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 3jrm h VAL 89 Cb 1.45 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 3jrm h VAL 89 CO 0.15 0.32 0.39 0.44 0.02 0.00 0.00 177.57 178.89 3jrm h ASP 90 N 0.56 0.77 -0.42 0.57 3.32 -1.17 -0.34 116.42 119.71 3jrm h ASP 90 Ca 0.13 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3jrm h ASP 90 Cb 0.41 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3jrm h ASP 90 CO 0.01 0.60 0.02 0.15 -1.72 0.00 0.00 179.24 178.30 3jrm h PHE 91 N 0.89 0.79 -0.48 4.55 3.57 -1.13 -1.77 116.94 123.36 3jrm h PHE 91 Ca 0.23 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.64 3jrm h PHE 91 Cb -0.03 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 3jrm h PHE 91 CO 0.00 0.78 0.26 0.00 -2.23 0.00 0.00 178.31 177.12 3jrm h ALA 92 N 0.91 0.61 -0.17 2.41 0.00 -0.31 0.63 119.26 123.35 3jrm h ALA 92 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3jrm h ALA 92 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3jrm h ALA 92 CO 0.02 -0.07 0.05 0.00 0.00 0.00 0.00 179.25 179.25 3jrm h ARG 93 N 0.52 0.26 -0.56 0.00 3.08 -0.83 -0.26 114.38 116.58 3jrm h ARG 93 Ca 0.20 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3jrm h ARG 93 Cb 0.07 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3jrm h ARG 93 CO -0.12 0.39 0.29 0.82 -1.07 0.00 0.00 179.97 180.28 3jrm h ILE 94 N 0.08 1.20 -0.60 2.04 2.04 -1.18 -2.04 117.51 119.05 3jrm h ILE 94 Ca 0.05 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3jrm h ILE 94 Cb 0.24 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3jrm h ILE 94 CO -0.00 0.22 0.32 -1.28 0.00 0.00 0.00 178.15 177.41 3jrm h SER 95 N 0.76 0.77 -0.21 1.72 0.87 -0.56 -0.13 113.55 116.78 3jrm h SER 95 Ca 0.20 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3jrm h SER 95 Cb 0.09 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3jrm h SER 95 CO -0.03 0.66 0.00 0.00 -0.53 0.00 0.00 176.83 176.93 3jrm h ALA 96 N 1.14 0.18 -0.32 6.23 0.00 -0.83 -2.35 119.26 123.31 3jrm h ALA 96 Ca 0.21 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3jrm h ALA 96 Cb 0.07 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3jrm h ALA 96 CO -0.03 -0.43 -0.05 1.96 0.00 0.00 0.00 179.25 180.70 3jrm h GLN 97 N 0.07 0.51 -0.96 0.00 1.08 -0.85 -1.49 115.11 113.46 3jrm h GLN 97 Ca 0.10 -0.13 0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3jrm h GLN 97 Cb 0.12 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 3jrm h GLN 97 CO -0.16 0.58 0.63 1.96 -0.95 0.00 0.00 178.83 180.89 3jrm h GLN 98 N 0.49 1.23 -0.40 1.46 4.20 -0.67 -0.44 115.11 120.98 3jrm h GLN 98 Ca 0.10 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 3jrm h GLN 98 Cb 0.40 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3jrm h GLN 98 CO 0.02 0.81 -0.29 1.49 -0.67 0.00 0.00 178.83 180.19 3jrm h GLU 99 N 1.26 0.89 -0.80 1.46 4.81 -0.86 -1.98 114.58 119.37 3jrm h GLU 99 Ca 0.37 -0.43 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3jrm h GLU 99 Cb -0.08 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3jrm h GLU 99 CO -0.10 1.08 0.31 0.87 -0.73 0.00 0.00 179.01 180.44 3jrm h LYS 100 N 0.71 1.20 -0.49 1.92 1.57 -0.71 -1.17 116.57 119.60 3jrm h LYS 100 Ca 0.08 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.53 3jrm h LYS 100 Cb 0.87 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3jrm h LYS 100 CO 0.08 0.97 -0.09 0.28 -0.57 0.00 0.00 179.45 180.12 3jrm h VAL 101 N 1.16 1.26 -0.25 0.50 2.07 -0.97 0.42 116.25 120.45 3jrm h VAL 101 Ca 0.26 -1.20 -0.16 0.00 0.82 0.00 0.00 66.70 66.43 3jrm h VAL 101 Cb 0.23 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3jrm h VAL 101 CO -0.02 0.42 -0.46 0.74 0.02 0.00 0.00 177.57 178.27 3jrm h THR 102 N 0.80 1.30 0.00 2.57 2.02 -0.76 -3.37 112.91 115.47 3jrm h THR 102 Ca 0.13 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.65 3jrm h THR 102 Cb 0.61 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3jrm h THR 102 CO 0.04 0.53 -0.25 -1.22 0.37 0.00 0.00 175.52 174.99 3jrm n TYR 103 N -4.14 0.00 0.00 3.16 4.01 -0.50 -5.01 117.16 114.68 3jrm n TYR 103 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 3jrm n TYR 103 Cb 0.57 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 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 1.17 2.58 3.83 2.72 0.00 0.15 -4.99 105.19 110.65 3jrm n GLY 104 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.86 -0.05 -0.72 1.61 1.04 -1.25 -4.93 113.70 107.53 3jrm s SER 105 Ca 0.00 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 55.55 3jrm s SER 105 Cb 0.00 0.70 0.18 0.00 0.10 0.00 0.00 66.02 67.00 3jrm s SER 105 CO 0.00 -1.37 0.56 -0.22 0.98 0.00 0.00 173.24 173.20 3jrm s LEU 106 N -3.12 5.38 0.15 2.42 0.20 -1.26 -4.44 118.68 118.00 3jrm s LEU 106 Ca 0.16 -3.17 -0.14 0.00 0.69 0.00 0.00 54.13 51.67 3jrm s LEU 106 Cb -0.04 -1.88 0.02 0.00 -0.43 0.00 0.00 46.19 43.86 3jrm s LEU 106 CO 0.08 -0.31 1.70 0.58 -0.29 0.00 0.00 176.35 178.11 3jrm h VAL 107 N 4.83 1.21 -3.25 1.68 2.07 -1.99 -3.42 116.25 117.39 3jrm h VAL 107 Ca 0.05 -0.65 -0.58 0.00 0.82 0.00 0.00 66.70 66.35 3jrm h VAL 107 Cb 0.90 0.76 -0.40 0.00 -1.52 0.00 0.00 31.29 31.04 3jrm h VAL 107 CO 0.76 0.24 -0.76 0.21 0.02 0.00 0.00 177.57 178.04 3jrm s ASN 108 N -5.94 3.87 0.58 0.57 3.84 -1.26 -1.74 114.94 114.86 3jrm s ASN 108 Ca -0.13 -1.49 0.31 0.00 0.21 0.00 0.00 52.86 51.76 3jrm s ASN 108 Cb 0.11 -0.89 1.36 0.00 -0.55 0.00 0.00 41.25 41.28 3jrm s ASN 108 CO 0.77 -0.38 1.72 0.40 -2.79 0.00 0.00 177.10 176.82 3jrm h ILE 109 N 6.52 0.27 -0.97 -5.21 2.04 -1.94 -0.82 117.51 117.40 3jrm h ILE 109 Ca -0.14 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.86 3jrm h ILE 109 Cb 1.04 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 3jrm h ILE 109 CO 0.45 0.00 0.61 -0.08 0.00 0.00 0.00 178.15 179.13 3jrm h GLU 110 N 0.00 0.82 -0.28 2.37 4.81 -1.98 -2.32 114.58 117.99 3jrm h GLU 110 Ca 0.38 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.38 3jrm h GLU 110 Cb 1.92 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 31.12 3jrm h GLU 110 CO -0.00 0.54 -0.54 -0.91 -0.73 0.00 0.00 179.01 177.36 3jrm h ASN 111 N 0.84 0.95 -0.50 1.04 4.21 -1.58 0.05 115.58 120.60 3jrm h ASN 111 Ca 0.50 -0.51 0.09 0.00 1.21 0.00 0.00 56.30 57.59 3jrm h ASN 111 Cb 0.66 -0.27 -0.07 0.00 -1.12 0.00 0.00 38.32 37.52 3jrm h ASN 111 CO -0.27 1.30 0.07 0.25 -1.29 0.00 0.00 177.43 177.50 3jrm h LEU 112 N 0.66 -0.06 -0.44 1.61 5.85 -1.59 -1.18 115.31 120.15 3jrm h LEU 112 Ca 0.02 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3jrm h LEU 112 Cb 1.15 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3jrm h LEU 112 CO 0.12 -0.00 0.20 0.58 -0.34 0.00 0.00 178.44 178.99 3jrm h VAL 113 N 0.20 1.19 -1.00 1.05 2.07 -1.04 -2.37 116.25 116.36 3jrm h VAL 113 Ca 0.25 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.27 3jrm h VAL 113 Cb 0.35 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 3jrm h VAL 113 CO -0.35 0.22 0.64 0.11 0.02 0.00 0.00 177.57 178.21 3jrm h LYS 114 N 0.58 1.09 -0.59 1.57 1.57 -0.61 0.21 116.57 120.38 3jrm h LYS 114 Ca 0.15 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3jrm h LYS 114 Cb 0.16 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3jrm h LYS 114 CO -0.02 0.72 0.11 0.00 -0.57 0.00 0.00 179.45 179.69 3jrm h ARG 115 N 1.12 0.94 -0.30 3.15 3.08 -0.74 0.22 114.38 121.84 3jrm h ARG 115 Ca 0.44 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 60.15 3jrm h ARG 115 Cb 0.25 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3jrm h ARG 115 CO -0.19 0.86 -0.31 0.28 -1.07 0.00 0.00 179.97 179.54 3jrm h VAL 116 N 0.89 1.30 -0.31 2.04 2.07 -0.89 -2.49 116.25 118.86 3jrm h VAL 116 Ca 0.19 -1.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 3jrm h VAL 116 Cb 0.37 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3jrm h VAL 116 CO 0.01 0.48 0.04 0.00 0.02 0.00 0.00 177.57 178.11 3jrm h ALA 117 N 0.71 1.50 -0.30 1.67 0.00 -0.27 -2.08 119.26 120.49 3jrm h ALA 117 Ca 0.05 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 3jrm h ALA 117 Cb 0.89 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3jrm h ALA 117 CO 0.08 0.36 -0.36 -0.44 0.00 0.00 0.00 179.25 178.89 3jrm h ASP 118 N 0.44 0.85 -0.94 0.00 3.32 -0.45 -0.04 116.42 119.59 3jrm h ASP 118 Ca 0.10 -0.49 0.07 0.00 0.02 0.00 0.00 57.03 56.74 3jrm h ASP 118 Cb 0.23 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.47 3jrm h ASP 118 CO 0.00 1.16 0.60 -0.61 -1.72 0.00 0.00 179.24 178.67 3jrm h GLN 119 N 0.55 1.03 -0.27 3.56 5.75 -1.19 -1.12 115.11 123.42 3jrm h GLN 119 Ca 0.04 -0.06 -0.17 0.00 -0.15 0.00 0.00 58.65 58.31 3jrm h GLN 119 Cb 0.95 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.27 3jrm h GLN 119 CO 0.09 0.68 -0.50 0.52 -2.65 0.00 0.00 178.83 176.97 3jrm h MET 120 N 1.06 0.81 -0.62 1.69 2.86 -1.10 -3.22 114.93 116.40 3jrm h MET 120 Ca 0.42 -0.51 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3jrm h MET 120 Cb 0.23 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 3jrm h MET 120 CO -0.19 1.14 0.29 0.37 1.06 0.00 0.00 176.91 179.58 3jrm h GLN 121 N 0.57 0.89 -0.87 1.72 -0.00 -0.53 -2.35 115.11 114.54 3jrm h GLN 121 Ca 0.01 -0.12 0.11 0.00 -0.00 0.00 0.00 58.65 58.66 3jrm h GLN 121 Cb 1.10 -0.17 -0.08 0.00 0.00 0.00 0.00 27.48 28.34 3jrm h GLN 121 CO 0.11 0.69 0.50 1.96 0.00 0.00 0.00 178.83 182.09 3jrm h GLN 122 N 0.88 0.77 0.00 1.69 4.20 -1.23 -1.28 115.11 120.14 3jrm h GLN 122 Ca 0.22 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3jrm h GLN 122 Cb 0.11 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3jrm h GLN 122 CO -0.03 0.51 0.00 0.66 -0.67 0.00 0.00 178.83 179.30 3jrm n TYR 123 N -4.75 0.00 -0.06 2.96 4.02 -0.89 -2.05 117.16 116.39 3jrm n TYR 123 Ca 0.16 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.10 3jrm n TYR 123 Cb 0.33 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.78 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 -0.72 0.82 0.00 -0.72 -2.24 -0.49 -3.26 114.28 107.68 3jrm n THR 124 Ca 0.10 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3jrm n THR 124 Cb 0.04 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.52 2.44 -4.05 -0.78 7.27 -0.87 -4.75 117.38 117.16 3jrm n GLN 125 Ca 0.11 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.83 3jrm n GLN 125 Cb 0.40 -0.77 -0.12 0.00 2.41 0.00 0.00 30.24 32.15 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 -1.33 3.06 0.81 3.69 2.02 -1.17 -4.82 117.35 119.61 3jrm s TYR 126 Ca 0.00 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.16 3jrm s TYR 126 Cb 0.00 -2.09 0.09 0.00 -0.40 0.00 0.00 41.96 39.55 3jrm s TYR 126 CO 0.00 -0.22 1.15 0.20 -1.57 0.00 0.00 175.55 175.11 3jrm s GLY 127 N 1.00 1.91 0.00 0.71 0.00 -1.26 -3.65 107.32 106.03 3jrm s GLY 127 Ca 0.02 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.35 3jrm s GLY 127 CO 0.02 1.01 0.00 0.61 0.00 0.00 0.00 173.10 174.74 3jrm n GLY 128 N -0.07 0.08 3.20 0.20 0.00 -1.26 -5.06 105.19 102.28 3jrm n GLY 128 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 1.00 0.23 1.61 -7.23 -1.24 -5.17 120.40 107.60 3jrm s VAL 129 Ca 0.00 -1.78 0.06 0.00 -1.81 0.00 0.00 61.98 58.45 3jrm s VAL 129 Cb 0.00 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 3jrm s VAL 129 CO 0.00 -0.63 0.23 0.00 -0.31 0.00 0.00 175.10 174.39 3jrm s ARG 130 N -3.13 3.08 0.88 4.82 1.70 -1.26 -4.84 118.95 120.20 3jrm s ARG 130 Ca 0.09 -0.94 -0.11 0.00 -0.47 0.00 0.00 55.73 54.31 3jrm s ARG 130 Cb -0.01 -2.68 0.12 0.00 -0.57 0.00 0.00 34.95 31.82 3jrm s ARG 130 CO -0.00 0.42 1.10 -2.14 -1.08 0.00 0.00 175.30 173.60 3jrm s PRO 131 N -3.76 1.33 0.07 3.89 0.02 -1.20 -4.90 135.00 130.45 3jrm s PRO 131 Ca 0.33 1.09 -0.31 0.00 0.02 0.00 0.00 61.00 62.13 3jrm s PRO 131 Cb -0.09 -1.80 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 3jrm s PRO 131 CO 0.26 -2.27 1.23 0.71 -0.33 0.00 0.00 177.00 176.60 3jrm s TYR 132 N -2.82 3.41 -1.32 6.54 1.51 -1.26 -4.95 117.35 118.46 3jrm s TYR 132 Ca 0.64 1.25 -0.06 0.00 -1.01 0.00 0.00 57.07 57.88 3jrm s TYR 132 Cb -0.19 -3.46 0.06 0.00 -0.11 0.00 0.00 41.96 38.25 3jrm s TYR 132 CO 0.58 -1.45 2.58 0.41 -1.11 0.00 0.00 175.55 176.55 3jrm n GLY 133 N 3.26 4.88 2.91 0.71 0.00 -1.26 -4.50 105.19 111.19 3jrm n GLY 133 Ca 0.09 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.35 0.08 0.08 1.61 1.01 -1.26 -1.18 120.40 120.39 3jrm s VAL 134 Ca 0.59 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.35 3jrm s VAL 134 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.42 3jrm s VAL 134 CO -0.09 -0.13 -0.09 -0.44 0.00 0.00 0.00 175.10 174.35 3jrm s SER 135 N -0.42 4.44 0.03 3.32 0.01 -0.49 -2.63 113.70 117.96 3jrm s SER 135 Ca -0.04 -0.34 0.07 0.00 1.31 0.00 0.00 55.95 56.95 3jrm s SER 135 Cb -0.03 -0.88 -0.02 0.00 0.21 0.00 0.00 66.02 65.29 3jrm s SER 135 CO -0.00 0.20 -0.19 -0.76 0.41 0.00 0.00 173.24 172.89 3jrm s LEU 136 N -2.05 2.15 -0.15 2.44 1.02 0.31 -1.48 118.68 120.92 3jrm s LEU 136 Ca 0.21 -0.48 -0.04 0.00 0.02 0.00 0.00 54.13 53.83 3jrm s LEU 136 Cb -0.11 -0.91 -0.03 0.00 0.02 0.00 0.00 46.19 45.16 3jrm s LEU 136 CO 0.13 0.15 -0.01 -0.63 0.02 0.00 0.00 176.35 176.01 3jrm s ILE 137 N -0.75 4.18 -0.12 -0.59 1.01 0.22 -1.41 121.20 123.73 3jrm s ILE 137 Ca 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.45 3jrm s ILE 137 Cb -0.08 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 3jrm s ILE 137 CO 0.01 0.51 -0.12 -0.36 0.00 0.00 0.00 174.94 174.98 3jrm s PHE 138 N 0.12 2.83 -0.01 3.97 0.08 0.15 -1.46 117.98 123.66 3jrm s PHE 138 Ca 0.01 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.53 3jrm s PHE 138 Cb -0.13 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.49 3jrm s PHE 138 CO 0.02 -0.14 -0.03 0.00 -0.10 0.00 0.00 175.22 174.97 3jrm s ALA 139 N 0.22 0.31 0.02 5.36 0.00 -0.59 -0.52 121.76 126.56 3jrm s ALA 139 Ca -0.08 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 3jrm s ALA 139 Cb -0.15 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 22.87 3jrm s ALA 139 CO 0.05 0.04 0.51 0.41 0.00 0.00 0.00 175.76 176.76 3jrm n GLY 140 N 3.27 0.62 3.44 0.00 0.00 -0.98 -0.65 105.19 110.89 3jrm n GLY 140 Ca -0.16 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.17 3.09 0.00 -0.61 -1.09 -0.73 -0.43 121.20 119.26 3jrm s ILE 141 Ca 0.12 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 3jrm s ILE 141 Cb -0.01 -2.25 0.00 0.00 -1.58 0.00 0.00 42.46 38.63 3jrm s ILE 141 CO 0.01 0.57 0.00 -0.90 -1.23 0.00 0.00 174.94 173.38 3jrm n ASP 142 N 2.77 0.47 0.14 3.58 5.68 -0.39 -4.84 116.55 123.96 3jrm n ASP 142 Ca -0.18 -0.75 0.12 0.00 -0.50 0.00 0.00 54.79 53.48 3jrm n ASP 142 Cb 0.52 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.01 3jrm n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jrm n GLN 143 N 0.00 0.21 0.11 0.11 6.02 -0.71 -1.73 117.38 121.39 3jrm n GLN 143 Ca 0.00 0.43 -0.17 0.00 -0.01 0.00 0.00 57.00 57.25 3jrm n GLN 143 Cb 0.00 -1.90 -0.13 0.00 1.02 0.00 0.00 30.24 29.23 3jrm n GLN 143 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3jrm h ILE 144 N 0.00 1.46 0.00 5.09 5.03 -1.97 -3.51 117.51 123.61 3jrm h ILE 144 Ca 0.00 -2.96 0.00 0.00 -0.12 0.00 0.00 64.86 61.78 3jrm h ILE 144 Cb 0.38 2.91 0.00 0.00 -3.03 0.00 0.00 36.82 37.08 3jrm h ILE 144 CO 0.00 0.87 0.00 0.61 -0.68 0.00 0.00 178.15 178.95 3jrm n GLY 145 N 1.50 0.76 3.73 5.37 0.00 -0.70 -5.09 105.19 110.76 3jrm n GLY 145 Ca -0.09 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 4.55 0.10 1.61 0.02 -1.26 -1.27 135.00 136.76 3jrm s PRO 146 Ca 0.00 1.72 0.09 0.00 0.02 0.00 0.00 61.00 62.83 3jrm s PRO 146 Cb 0.00 -3.30 -0.03 0.00 0.02 0.00 0.00 34.50 31.19 3jrm s PRO 146 CO 0.00 -0.01 -0.22 1.03 -0.33 0.00 0.00 177.00 177.47 3jrm s ARG 147 N -0.00 1.22 -0.21 5.54 1.81 0.43 -4.99 118.95 122.75 3jrm s ARG 147 Ca 0.52 -1.18 -0.04 0.00 -1.72 0.00 0.00 55.73 53.31 3jrm s ARG 147 Cb -0.29 -1.51 0.11 0.00 -0.45 0.00 0.00 34.95 32.80 3jrm s ARG 147 CO 0.33 0.36 0.30 -1.17 -0.68 0.00 0.00 175.30 174.44 3jrm s LEU 148 N -1.86 -0.37 0.17 2.53 2.96 -1.26 -2.33 118.68 118.53 3jrm s LEU 148 Ca 0.08 0.13 0.11 0.00 -0.22 0.00 0.00 54.13 54.23 3jrm s LEU 148 Cb -0.10 0.77 -0.04 0.00 0.50 0.00 0.00 46.19 47.32 3jrm s LEU 148 CO 0.04 -0.30 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.18 3jrm s PHE 149 N 2.44 2.18 0.44 5.38 0.40 0.32 -0.37 117.98 128.77 3jrm s PHE 149 Ca 0.08 -0.38 0.06 0.00 -0.60 0.00 0.00 56.93 56.08 3jrm s PHE 149 Cb -0.15 -1.10 -0.06 0.00 0.51 0.00 0.00 43.02 42.22 3jrm s PHE 149 CO -0.13 0.43 0.04 0.16 0.70 0.00 0.00 175.22 176.42 3jrm s ASP 150 N -2.55 4.03 -0.29 1.36 1.47 -0.49 -0.67 116.67 119.53 3jrm s ASP 150 Ca 0.18 -1.39 -0.13 0.00 1.18 0.00 0.00 52.55 52.39 3jrm s ASP 150 Cb -0.08 -0.18 0.12 0.00 -0.34 0.00 0.00 42.92 42.44 3jrm s ASP 150 CO 0.08 -0.57 0.74 0.00 0.68 0.00 0.00 175.17 176.11 3jrm s ASP 152 N 2.23 4.38 0.65 0.00 -4.77 -1.09 -0.53 116.67 117.53 3jrm s ASP 152 Ca -0.07 -1.37 0.34 0.00 -3.30 0.00 0.00 52.55 48.15 3jrm s ASP 152 Cb -0.08 0.24 1.86 0.00 -1.09 0.00 0.00 42.92 43.85 3jrm s ASP 152 CO -0.19 -0.87 2.08 -0.65 0.70 0.00 0.00 175.17 176.24 3jrm h PRO 153 N 1.15 0.00 0.00 2.11 0.11 -1.73 -0.96 132.00 132.68 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 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3jrm h PRO 153 CO 0.67 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.44 3jrm n ALA 154 N -2.05 2.30 -0.70 -0.75 0.00 -1.26 -4.64 120.51 113.42 3jrm n ALA 154 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3jrm n ALA 154 Cb 0.30 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 1.32 0.60 3.73 0.00 0.00 -0.37 -4.20 105.19 106.28 3jrm n GLY 155 Ca 0.06 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 4.35 0.03 2.61 2.01 -1.26 -4.76 115.64 116.62 3jrm s THR 156 Ca 0.00 1.88 0.08 0.00 0.31 0.00 0.00 61.69 63.96 3jrm s THR 156 Cb 0.00 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 3jrm s THR 156 CO 0.00 0.25 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.33 3jrm s ILE 157 N 0.26 2.44 -0.05 1.82 1.01 -1.26 -2.65 121.20 122.75 3jrm s ILE 157 Ca 0.50 -1.25 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 3jrm s ILE 157 Cb -0.25 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.26 3jrm s ILE 157 CO 0.31 0.38 0.23 0.20 0.00 0.00 0.00 174.94 176.07 3jrm s ASN 158 N -1.24 -0.18 -0.10 3.58 -0.87 -1.09 -5.00 114.94 110.04 3jrm s ASN 158 Ca 0.13 0.25 -0.10 0.00 -1.57 0.00 0.00 52.86 51.57 3jrm s ASN 158 Cb -0.10 0.40 -0.05 0.00 -0.02 0.00 0.00 41.25 41.48 3jrm s ASN 158 CO 0.03 -0.23 0.21 -0.70 -2.57 0.00 0.00 177.10 173.85 3jrm s GLU 159 N -0.52 3.69 0.22 -0.60 2.12 -1.26 -1.40 118.70 120.95 3jrm s GLU 159 Ca -0.06 0.01 0.04 0.00 0.36 0.00 0.00 54.97 55.32 3jrm s GLU 159 Cb -0.04 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 3jrm s GLU 159 CO 0.01 0.67 -0.04 0.71 -0.54 0.00 0.00 175.26 176.07 3jrm s TYR 160 N -0.79 1.54 -0.04 5.30 1.51 0.50 -5.00 117.35 120.37 3jrm s TYR 160 Ca 0.16 -0.84 -0.03 0.00 -1.01 0.00 0.00 57.07 55.35 3jrm s TYR 160 Cb -0.13 -0.86 -0.27 0.00 -0.11 0.00 0.00 41.96 40.59 3jrm s TYR 160 CO 0.06 0.04 0.67 0.87 -1.11 0.00 0.00 175.55 176.08 3jrm h LYS 161 N 2.53 0.25 -2.50 -0.62 1.57 -1.94 -3.38 116.57 112.47 3jrm h LYS 161 Ca -0.38 -0.43 -0.09 0.00 -1.87 0.00 0.00 60.65 57.89 3jrm h LYS 161 Cb 1.22 0.16 -0.20 0.00 0.08 0.00 0.00 32.23 33.48 3jrm h LYS 161 CO 0.64 1.10 -0.05 0.00 -0.57 0.00 0.00 179.45 180.58 3jrm s ALA 162 N -2.59 -1.29 0.29 3.86 0.00 -1.26 0.02 121.76 120.79 3jrm s ALA 162 Ca -0.13 0.92 -0.20 0.00 0.00 0.00 0.00 51.96 52.55 3jrm s ALA 162 Cb 0.07 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.15 3jrm s ALA 162 CO 0.83 -0.31 0.82 -0.08 0.00 0.00 0.00 175.76 177.02 3jrm s THR 163 N -1.06 0.00 0.19 0.00 -1.32 -0.57 -5.00 115.64 107.88 3jrm s THR 163 Ca -0.11 -0.91 -0.06 0.00 -1.21 0.00 0.00 61.69 59.41 3jrm s THR 163 Cb -0.03 -2.41 -0.02 0.00 -1.51 0.00 0.00 72.50 68.53 3jrm s THR 163 CO 0.06 0.00 0.25 0.00 -2.21 0.00 0.00 174.62 172.72 3jrm s ALA 164 N -3.05 0.46 0.05 11.08 0.00 -1.26 -1.86 121.76 127.18 3jrm s ALA 164 Ca 0.14 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 3jrm s ALA 164 Cb -0.05 1.09 -0.03 0.00 0.00 0.00 0.00 23.12 24.14 3jrm s ALA 164 CO 0.08 -0.65 0.02 0.96 0.00 0.00 0.00 175.76 176.16 3jrm s ILE 165 N -4.06 0.19 0.00 0.00 -4.36 -0.51 -4.93 121.20 107.53 3jrm s ILE 165 Ca 0.27 -1.53 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 3jrm s ILE 165 Cb 0.04 -1.29 0.00 0.00 1.25 0.00 0.00 42.46 42.46 3jrm s ILE 165 CO 0.06 -0.85 0.00 0.61 0.24 0.00 0.00 174.94 175.01 3jrm n GLY 166 N 0.30 -1.51 0.14 6.27 0.00 -1.26 -1.65 105.19 107.49 3jrm n GLY 166 Ca -0.16 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.66 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 0.28 -0.05 1.61 4.64 -0.56 -2.53 113.55 116.93 3jrm h SER 167 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jrm h SER 167 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3jrm h SER 167 CO 0.00 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 3jrm n GLY 168 N -1.18 1.24 0.27 -0.77 0.00 -1.26 -4.51 105.19 98.97 3jrm n GLY 168 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 0.37 -0.16 -0.36 1.61 3.64 -1.68 -1.64 116.57 118.33 3jrm h LYS 169 Ca 0.00 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 3jrm h LYS 169 Cb 0.54 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3jrm h LYS 169 CO 0.04 -0.11 -0.21 -0.44 -2.27 0.00 0.00 179.45 176.46 3jrm h ASP 170 N -0.17 0.81 0.21 4.20 3.32 -1.86 0.17 116.42 123.10 3jrm h ASP 170 Ca 0.18 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.82 3jrm h ASP 170 Cb 0.45 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 3jrm h ASP 170 CO -0.47 1.05 -0.37 0.00 -1.72 0.00 0.00 179.24 177.74 3jrm h ALA 171 N 0.78 -0.70 -0.44 3.45 0.00 -1.87 -1.44 119.26 119.05 3jrm h ALA 171 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3jrm h ALA 171 Cb 0.76 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3jrm h ALA 171 CO 0.06 -0.94 0.20 0.28 0.00 0.00 0.00 179.25 178.84 3jrm h VAL 172 N -0.66 1.16 -0.08 0.00 2.07 -1.02 -1.54 116.25 116.18 3jrm h VAL 172 Ca 0.01 -0.47 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 3jrm h VAL 172 Cb 0.65 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3jrm h VAL 172 CO -0.16 0.19 -0.53 0.58 0.02 0.00 0.00 177.57 177.67 3jrm h VAL 173 N 0.62 1.38 -0.22 2.57 2.07 -0.51 -2.25 116.25 119.91 3jrm h VAL 173 Ca 0.16 -1.88 -0.13 0.00 0.82 0.00 0.00 66.70 65.67 3jrm h VAL 173 Cb 0.09 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3jrm h VAL 173 CO -0.02 0.56 -0.40 0.77 0.02 0.00 0.00 177.57 178.50 3jrm h SER 174 N 0.07 0.55 -0.59 0.57 4.64 -1.07 0.12 113.55 117.84 3jrm h SER 174 Ca -0.04 -0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.05 3jrm h SER 174 Cb 1.18 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.09 3jrm h SER 174 CO 0.11 0.89 0.39 0.15 -0.87 0.00 0.00 176.83 177.50 3jrm h PHE 175 N 0.43 0.73 -0.10 4.77 3.04 -1.32 -2.06 116.94 122.43 3jrm h PHE 175 Ca 0.04 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.86 3jrm h PHE 175 Cb 0.89 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 3jrm h PHE 175 CO 0.03 0.45 -0.58 -0.07 -2.02 0.00 0.00 178.31 176.12 3jrm h LEU 176 N 0.78 0.37 -1.11 0.59 3.38 -1.04 0.39 115.31 118.67 3jrm h LEU 176 Ca 0.22 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3jrm h LEU 176 Cb -0.06 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 3jrm h LEU 176 CO -0.06 0.86 0.61 -0.08 0.09 0.00 0.00 178.44 179.86 3jrm h GLU 177 N 0.25 1.03 0.25 1.13 4.81 -0.53 0.56 114.58 122.08 3jrm h GLU 177 Ca -0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3jrm h GLU 177 Cb 1.08 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3jrm h GLU 177 CO 0.09 0.68 -0.12 0.00 -0.73 0.00 0.00 179.01 178.94 3jrm h ARG 178 N 1.06 -0.32 0.00 1.92 3.08 -1.02 -3.40 114.38 115.70 3jrm h ARG 178 Ca 0.41 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3jrm h ARG 178 Cb 0.21 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3jrm h ARG 178 CO -0.16 -0.12 -0.78 0.39 -1.07 0.00 0.00 179.97 178.24 3jrm n GLU 179 N -4.99 0.22 -2.34 0.04 -0.58 0.10 -4.97 120.64 108.11 3jrm n GLU 179 Ca -0.05 0.03 -0.41 0.00 -0.42 0.00 0.00 57.16 56.31 3jrm n GLU 179 Cb 0.18 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 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 -3.14 3.39 0.01 -0.32 5.04 0.18 -5.03 117.35 117.48 3jrm s TYR 180 Ca 0.06 1.49 0.04 0.00 -2.44 0.00 0.00 57.07 56.22 3jrm s TYR 180 Cb 0.15 -3.45 -0.02 0.00 0.35 0.00 0.00 41.96 38.99 3jrm s TYR 180 CO 0.75 -1.19 -0.13 0.15 -1.34 0.00 0.00 175.55 173.80 3jrm s LYS 181 N -0.91 0.95 0.48 4.97 1.02 -1.26 -5.00 119.74 119.99 3jrm s LYS 181 Ca 0.50 -0.60 -0.21 0.00 0.02 0.00 0.00 55.97 55.68 3jrm s LYS 181 Cb -0.34 -0.94 -0.08 0.00 -0.52 0.00 0.00 37.83 35.96 3jrm s LYS 181 CO 0.41 0.24 1.09 -1.21 -0.92 0.00 0.00 175.35 174.97 3jrm s GLU 182 N -0.72 3.73 -1.17 1.68 2.02 -1.26 -4.10 118.70 118.89 3jrm s GLU 182 Ca 0.03 1.55 0.00 0.00 0.02 0.00 0.00 54.97 56.56 3jrm s GLU 182 Cb -0.06 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 31.95 3jrm s GLU 182 CO 0.00 -0.52 0.00 0.09 0.02 0.00 0.00 175.26 174.85 3jrm n ASN 183 N -0.80 -4.18 -4.73 -0.19 3.02 -1.26 -4.92 115.26 102.19 3jrm n ASN 183 Ca 0.09 0.16 -0.36 0.00 -0.03 0.00 0.00 54.58 54.43 3jrm n ASN 183 Cb 0.51 -3.03 0.07 0.00 -0.61 0.00 0.00 39.78 36.72 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 -3.06 3.54 0.84 3.41 1.43 -1.26 -4.07 118.68 119.52 3jrm s LEU 184 Ca 0.00 2.56 -0.11 0.00 -1.03 0.00 0.00 54.13 55.55 3jrm s LEU 184 Cb 0.00 -4.61 0.09 0.00 0.03 0.00 0.00 46.19 41.70 3jrm s LEU 184 CO 0.00 -2.01 1.10 -2.84 0.23 0.00 0.00 176.35 172.84 3jrm s PRO 185 N -3.46 1.73 0.13 1.29 0.02 -1.26 -0.94 135.00 132.51 3jrm s PRO 185 Ca 0.81 1.21 -0.23 0.00 0.02 0.00 0.00 61.00 62.80 3jrm s PRO 185 Cb -0.35 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 3jrm s PRO 185 CO 0.40 -2.03 1.66 1.49 -0.33 0.00 0.00 177.00 178.19 3jrm h GLU 186 N -1.41 -0.24 -0.80 5.54 4.81 -1.95 -1.58 114.58 118.95 3jrm h GLU 186 Ca -0.45 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.84 3jrm h GLU 186 Cb 1.25 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 3jrm h GLU 186 CO 0.49 -0.16 0.53 0.87 -0.73 0.00 0.00 179.01 180.01 3jrm h LYS 187 N -0.25 0.95 -0.46 1.92 1.57 -2.00 0.11 116.57 118.41 3jrm h LYS 187 Ca 0.08 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 3jrm h LYS 187 Cb 0.37 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3jrm h LYS 187 CO -0.22 0.63 -0.26 0.93 -0.57 0.00 0.00 179.45 179.95 3jrm h GLU 188 N 0.97 0.98 -0.11 3.15 5.08 -1.82 -2.32 114.58 120.52 3jrm h GLU 188 Ca 0.32 -0.44 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3jrm h GLU 188 Cb 0.06 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3jrm h GLU 188 CO -0.10 1.11 -0.08 0.00 -1.00 0.00 0.00 179.01 178.95 3jrm h ALA 189 N 0.86 0.01 -0.80 3.43 0.00 -0.24 0.12 119.26 122.64 3jrm h ALA 189 Ca 0.10 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3jrm h ALA 189 Cb 0.85 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3jrm h ALA 189 CO 0.07 -0.54 0.50 0.28 0.00 0.00 0.00 179.25 179.57 3jrm h VAL 190 N -0.09 1.07 -0.16 0.00 2.07 -1.00 -0.32 116.25 117.83 3jrm h VAL 190 Ca 0.07 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3jrm h VAL 190 Cb 0.19 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3jrm h VAL 190 CO -0.16 0.17 0.06 0.74 0.02 0.00 0.00 177.57 178.39 3jrm h THR 191 N 0.94 1.17 -0.82 2.57 2.02 -0.86 0.12 112.91 118.05 3jrm h THR 191 Ca 0.34 -0.52 0.10 0.00 0.77 0.00 0.00 66.41 67.09 3jrm h THR 191 Cb 0.10 1.22 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 3jrm h THR 191 CO -0.15 0.16 0.46 0.25 0.37 0.00 0.00 175.52 176.61 3jrm h LEU 192 N 0.09 0.64 -0.11 2.58 5.85 -0.69 0.00 115.31 123.68 3jrm h LEU 192 Ca 0.05 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3jrm h LEU 192 Cb 0.20 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3jrm h LEU 192 CO -0.00 0.36 0.05 1.23 -0.34 0.00 0.00 178.44 179.73 3jrm h GLY 193 N 0.76 0.17 1.02 3.75 0.00 -0.40 -1.04 103.07 107.32 3jrm h GLY 193 Ca 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 3jrm h GLY 193 CO -0.26 0.08 0.52 -2.22 0.00 0.00 0.00 176.54 174.66 3jrm h ILE 194 N 0.03 1.26 -0.27 2.60 1.08 -0.29 -0.64 117.51 121.29 3jrm h ILE 194 Ca 0.04 -0.60 0.02 0.00 -0.39 0.00 0.00 64.86 63.92 3jrm h ILE 194 Cb 0.15 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.89 3jrm h ILE 194 CO -0.00 0.28 0.13 0.11 -0.69 0.00 0.00 178.15 177.98 3jrm h LYS 195 N 1.25 0.27 -0.40 2.37 1.57 -0.84 -1.04 116.57 119.76 3jrm h LYS 195 Ca 0.32 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3jrm h LYS 195 Cb -0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3jrm h LYS 195 CO -0.06 0.18 0.26 0.00 -0.57 0.00 0.00 179.45 179.26 3jrm h ALA 196 N 1.14 0.50 -0.21 3.86 0.00 -0.63 0.24 119.26 124.16 3jrm h ALA 196 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3jrm h ALA 196 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3jrm h ALA 196 CO -0.08 -0.04 0.12 1.25 0.00 0.00 0.00 179.25 180.50 3jrm h LEU 197 N 0.53 0.26 -0.93 0.00 5.85 -0.99 -2.28 115.31 117.76 3jrm h LEU 197 Ca 0.15 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3jrm h LEU 197 Cb -0.06 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 3jrm h LEU 197 CO -0.03 0.26 0.58 0.11 -0.34 0.00 0.00 178.44 179.01 3jrm h LYS 198 N 0.25 0.97 0.00 1.25 1.57 -0.86 -1.67 116.57 118.08 3jrm h LYS 198 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3jrm h LYS 198 Cb 0.05 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3jrm h LYS 198 CO -0.01 0.64 0.00 -1.13 -0.57 0.00 0.00 179.45 178.38 3jrm n SER 199 N -4.61 0.00 -0.01 0.86 3.41 0.04 -1.87 113.62 111.45 3jrm n SER 199 Ca 0.15 0.49 0.10 0.00 -0.26 0.00 0.00 58.87 59.35 3jrm n SER 199 Cb 0.24 -0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.49 0.99 -4.81 4.04 3.41 -0.63 -4.89 113.62 110.24 3jrm n SER 200 Ca 0.01 -0.99 -0.34 0.00 -0.26 0.00 0.00 58.87 57.29 3jrm n SER 200 Cb 0.02 0.99 -0.05 0.00 -0.26 0.00 0.00 64.21 64.91 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 -2.97 3.93 0.02 1.04 1.43 -0.78 -4.89 118.68 116.47 3jrm s LEU 201 Ca 0.08 1.81 -0.31 0.00 -1.03 0.00 0.00 54.13 54.67 3jrm s LEU 201 Cb 0.16 -4.51 -0.10 0.00 0.03 0.00 0.00 46.19 41.77 3jrm s LEU 201 CO 0.85 -0.52 1.93 -0.62 0.23 0.00 0.00 176.35 178.21 3jrm n GLU 202 N -0.69 2.69 -1.25 1.70 -0.58 -1.26 -4.96 120.64 116.29 3jrm n GLU 202 Ca 0.08 0.98 -0.34 0.00 -0.42 0.00 0.00 57.16 57.46 3jrm n GLU 202 Cb 0.53 -2.90 0.11 0.00 -0.57 0.00 0.00 31.44 28.61 3jrm n GLU 202 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3jrm s GLU 203 N 4.03 1.85 -1.04 3.49 4.04 -1.26 -2.13 118.70 127.68 3jrm s GLU 203 Ca 0.89 1.75 -0.05 0.00 0.04 0.00 0.00 54.97 57.60 3jrm s GLU 203 Cb -0.51 -1.80 0.01 0.00 0.02 0.00 0.00 34.13 31.85 3jrm s GLU 203 CO 0.43 -2.05 0.90 0.41 -1.84 0.00 0.00 175.26 173.11 3jrm n GLY 204 N 0.43 -0.22 3.18 -3.83 0.00 -1.26 -5.05 105.19 98.43 3jrm n GLY 204 Ca 0.13 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -5.82 0.27 -0.01 1.61 2.12 -0.90 -5.15 118.70 110.81 3jrm s GLU 205 Ca 0.36 0.94 -0.18 0.00 0.36 0.00 0.00 54.97 56.45 3jrm s GLU 205 Cb -0.16 0.20 -0.06 0.00 0.26 0.00 0.00 34.13 34.38 3jrm s GLU 205 CO 0.57 -0.27 0.49 -2.00 -0.54 0.00 0.00 175.26 173.52 3jrm s GLU 206 N 2.55 4.15 -0.32 4.30 2.12 -1.26 -4.83 118.70 125.41 3jrm s GLU 206 Ca -0.01 0.55 -0.29 0.00 0.36 0.00 0.00 54.97 55.58 3jrm s GLU 206 Cb -0.12 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.98 3jrm s GLU 206 CO -0.11 0.50 1.33 -1.17 -0.54 0.00 0.00 175.26 175.27 3jrm s LEU 207 N -0.55 3.82 0.94 2.70 2.96 -1.26 -5.03 118.68 122.27 3jrm s LEU 207 Ca 0.27 1.14 -0.15 0.00 -0.22 0.00 0.00 54.13 55.17 3jrm s LEU 207 Cb -0.17 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.15 3jrm s LEU 207 CO 0.15 -1.15 1.23 -0.54 -1.32 0.00 0.00 176.35 174.72 3jrm s LYS 208 N 4.32 0.84 -0.12 1.98 1.02 -1.26 -4.93 119.74 121.59 3jrm s LYS 208 Ca 0.57 -0.13 -0.32 0.00 0.02 0.00 0.00 55.97 56.12 3jrm s LYS 208 Cb -0.16 -1.84 -0.09 0.00 -0.52 0.00 0.00 37.83 35.21 3jrm s LYS 208 CO 0.25 -2.32 2.03 0.00 -0.92 0.00 0.00 175.35 174.39 3jrm n ALA 209 N -3.77 1.33 -1.95 5.17 0.00 -1.26 -4.93 120.51 115.10 3jrm n ALA 209 Ca 0.12 0.09 -0.26 0.00 0.00 0.00 0.00 53.44 53.39 3jrm n ALA 209 Cb 0.60 -2.66 0.10 0.00 0.00 0.00 0.00 19.45 17.48 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 5.02 1.81 0.07 0.00 0.04 -1.26 -4.69 135.00 135.98 3jrm s PRO 210 Ca 0.96 -0.54 -0.18 0.00 0.04 0.00 0.00 61.00 61.28 3jrm s PRO 210 Cb -0.55 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.75 3jrm s PRO 210 CO 0.45 -1.47 0.53 -1.21 0.04 0.00 0.00 177.00 175.34 3jrm s GLU 211 N -5.30 4.11 -0.03 4.56 2.02 -0.20 -4.92 118.70 118.94 3jrm s GLU 211 Ca 0.64 0.63 0.00 0.00 0.02 0.00 0.00 54.97 56.26 3jrm s GLU 211 Cb -0.08 -3.19 0.03 0.00 0.10 0.00 0.00 34.13 30.98 3jrm s GLU 211 CO 0.46 0.63 0.01 0.42 0.02 0.00 0.00 175.26 176.79 3jrm s ILE 212 N -1.15 0.12 0.02 -1.63 1.01 -1.26 -1.02 121.20 117.30 3jrm s ILE 212 Ca 0.29 0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.08 3jrm s ILE 212 Cb -0.18 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 3jrm s ILE 212 CO 0.18 0.13 -0.09 0.00 0.00 0.00 0.00 174.94 175.16 3jrm s ALA 213 N 1.00 0.72 0.05 9.38 0.00 -0.69 -0.64 121.76 131.58 3jrm s ALA 213 Ca -0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 3jrm s ALA 213 Cb -0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 3jrm s ALA 213 CO -0.02 0.10 0.07 -1.54 0.00 0.00 0.00 175.76 174.37 3jrm s SER 214 N -0.95 0.25 -0.09 0.00 1.04 -0.66 -0.70 113.70 112.59 3jrm s SER 214 Ca -0.02 -0.67 -0.08 0.00 0.48 0.00 0.00 55.95 55.65 3jrm s SER 214 Cb -0.07 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.31 3jrm s SER 214 CO 0.00 -0.56 0.24 -0.51 0.98 0.00 0.00 173.24 173.39 3jrm s ILE 215 N -3.10 0.00 0.11 -1.02 2.07 -0.90 -1.17 121.20 117.20 3jrm s ILE 215 Ca -0.01 -0.01 0.08 0.00 -1.41 0.00 0.00 60.65 59.30 3jrm s ILE 215 Cb 0.02 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 3jrm s ILE 215 CO -0.07 -0.01 -0.21 0.42 -1.91 0.00 0.00 174.94 173.17 3jrm s THR 216 N 0.09 1.75 0.24 4.00 -4.23 -1.26 -1.80 115.64 114.43 3jrm s THR 216 Ca -0.00 -1.62 -0.29 0.00 -1.18 0.00 0.00 61.69 58.59 3jrm s THR 216 Cb -0.02 -1.63 -0.15 0.00 1.34 0.00 0.00 72.50 72.04 3jrm s THR 216 CO 0.00 -0.10 0.94 0.52 -0.54 0.00 0.00 174.62 175.44 3jrm n VAL 217 N 0.93 1.72 -1.09 2.29 0.31 0.10 -1.56 118.33 121.03 3jrm n VAL 217 Ca -0.18 -0.43 -0.03 0.00 -0.01 0.00 0.00 64.34 63.69 3jrm n VAL 217 Cb 0.54 -0.72 -0.01 0.00 -0.91 0.00 0.00 33.84 32.73 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 1.57 0.59 3.32 2.92 0.00 -1.26 -5.02 105.19 107.31 3jrm n GLY 218 Ca 0.13 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.43 1.20 0.48 1.61 0.01 -0.60 -5.16 114.94 110.05 3jrm s ASN 219 Ca 0.00 -1.42 -0.00 0.00 -0.71 0.00 0.00 52.86 50.73 3jrm s ASN 219 Cb 0.00 0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.88 3jrm s ASN 219 CO 0.00 -0.77 0.71 -0.54 -1.51 0.00 0.00 177.10 174.99 3jrm s LYS 220 N -4.00 3.00 0.51 -0.60 1.02 -1.26 -4.68 119.74 113.72 3jrm s LYS 220 Ca 0.37 -0.47 -0.22 0.00 0.02 0.00 0.00 55.97 55.68 3jrm s LYS 220 Cb 0.07 -2.52 -0.06 0.00 -0.52 0.00 0.00 37.83 34.81 3jrm s LYS 220 CO 0.14 -0.36 1.31 0.71 -0.92 0.00 0.00 175.35 176.23 3jrm s TYR 221 N -2.62 2.46 -0.02 3.18 1.51 -0.68 -4.65 117.35 116.52 3jrm s TYR 221 Ca 0.50 1.41 0.04 0.00 -1.01 0.00 0.00 57.07 58.01 3jrm s TYR 221 Cb -0.10 -3.70 -0.01 0.00 -0.11 0.00 0.00 41.96 38.04 3jrm s TYR 221 CO 0.39 -2.53 -0.15 -0.98 -1.11 0.00 0.00 175.55 171.16 3jrm s ARG 222 N -2.81 1.41 -0.21 -0.62 1.70 -0.32 -5.01 118.95 113.09 3jrm s ARG 222 Ca 0.69 -0.54 -0.14 0.00 -0.47 0.00 0.00 55.73 55.26 3jrm s ARG 222 Cb -0.38 -1.29 -0.04 0.00 -0.57 0.00 0.00 34.95 32.67 3jrm s ARG 222 CO 0.45 0.27 0.33 0.42 -1.08 0.00 0.00 175.30 175.69 3jrm s ILE 223 N -0.14 5.25 0.26 4.99 -1.09 -1.26 -1.66 121.20 127.54 3jrm s ILE 223 Ca 0.01 0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 58.70 3jrm s ILE 223 Cb -0.08 -3.67 -0.10 0.00 -1.58 0.00 0.00 42.46 37.04 3jrm s ILE 223 CO 0.01 0.29 1.32 -0.31 -1.23 0.00 0.00 174.94 175.01 3jrm s TYR 224 N 1.18 3.17 0.49 3.97 1.51 0.19 -5.01 117.35 122.86 3jrm s TYR 224 Ca 0.16 1.28 -0.07 0.00 -1.01 0.00 0.00 57.07 57.43 3jrm s TYR 224 Cb -0.14 -3.64 -0.04 0.00 -0.11 0.00 0.00 41.96 38.02 3jrm s TYR 224 CO 0.07 -1.91 0.82 0.16 -1.11 0.00 0.00 175.55 173.57 3jrm s ASP 225 N -0.01 6.30 0.27 2.29 -4.77 -1.26 -4.62 116.67 114.87 3jrm s ASP 225 Ca 0.54 1.03 -0.08 0.00 -3.30 0.00 0.00 52.55 50.74 3jrm s ASP 225 Cb -0.38 -2.29 0.45 0.00 -1.09 0.00 0.00 42.92 39.60 3jrm s ASP 225 CO 0.44 -0.59 1.58 1.56 0.70 0.00 0.00 175.17 178.86 3jrm h GLN 226 N 0.32 0.01 -0.18 2.11 7.50 -1.95 -0.65 115.11 122.27 3jrm h GLN 226 Ca -0.47 -0.00 -0.09 0.00 0.50 0.00 0.00 58.65 58.59 3jrm h GLN 226 Cb 1.20 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.72 3jrm h GLN 226 CO 0.62 0.00 -0.31 0.93 -1.50 0.00 0.00 178.83 178.58 3jrm h GLU 227 N 0.01 0.35 -0.28 1.46 5.08 -2.00 -0.86 114.58 118.33 3jrm h GLU 227 Ca 0.45 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.60 3jrm h GLU 227 Cb 0.73 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3jrm h GLU 227 CO -0.92 0.62 -0.14 1.49 -1.00 0.00 0.00 179.01 179.07 3jrm h GLU 228 N 0.30 0.47 -0.32 2.33 4.81 -1.52 -3.15 114.58 117.51 3jrm h GLU 228 Ca 0.04 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 3jrm h GLU 228 Cb 0.70 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 3jrm h GLU 228 CO 0.05 0.61 -0.45 0.28 -0.73 0.00 0.00 179.01 178.77 3jrm h VAL 229 N 0.44 1.28 -0.81 0.32 2.07 -0.75 -3.26 116.25 115.54 3jrm h VAL 229 Ca 0.08 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 65.99 3jrm h VAL 229 Cb 0.50 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3jrm h VAL 229 CO 0.03 0.53 0.54 0.11 0.02 0.00 0.00 177.57 178.80 3jrm h LYS 230 N 0.65 1.04 0.00 1.57 1.57 -1.17 -0.40 116.57 119.82 3jrm h LYS 230 Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3jrm h LYS 230 Cb 1.05 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3jrm h LYS 230 CO 0.10 0.69 0.18 1.63 -0.57 0.00 0.00 179.45 181.48 3jrm n LYS 231 N -4.42 0.00 0.00 3.15 5.02 -1.22 0.03 118.16 120.72 3jrm n LYS 231 Ca 0.10 0.24 0.05 0.00 -2.02 0.00 0.00 58.31 56.67 3jrm n LYS 231 Cb 0.06 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 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 -1.20 0.00 1.86 2.13 3.01 -0.16 -5.16 117.46 117.94 3jrm n PHE 232 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 3jrm n PHE 232 Cb 0.18 0.00 0.83 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