#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 2.38 -0.00 0.00 4.01 -1.26 -4.52 117.16 117.77 3jrm n TYR 8 Ca 0.00 -1.56 0.00 0.00 -0.16 0.00 0.00 57.90 56.18 3jrm n TYR 8 Cb 0.00 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.23 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 -0.77 0.00 -0.03 7.72 2.03 -1.26 -4.47 116.55 119.78 3jrm n ASP 9 Ca 0.46 -0.19 0.01 0.00 0.52 0.00 0.00 54.79 55.59 3jrm n ASP 9 Cb 1.40 0.37 -0.00 0.00 -0.72 0.00 0.00 41.12 42.16 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 -0.37 2.87 -3.72 -0.67 5.12 -1.26 -4.43 116.66 114.20 3jrm n ARG 10 Ca 0.00 -0.30 -0.15 0.00 -1.93 0.00 0.00 57.85 55.47 3jrm n ARG 10 Cb 0.00 -0.80 -0.15 0.00 -1.16 0.00 0.00 32.46 30.35 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 -0.63 -0.12 0.64 7.54 0.00 -1.26 -5.03 121.76 122.90 3jrm s ALA 11 Ca 0.01 0.53 0.30 0.00 0.00 0.00 0.00 51.96 52.80 3jrm s ALA 11 Cb 0.01 -0.53 1.60 0.00 0.00 0.00 0.00 23.12 24.21 3jrm s ALA 11 CO 0.04 -0.29 1.93 0.97 0.00 0.00 0.00 175.76 178.41 3jrm h ILE 12 N 6.23 0.12 -0.41 0.00 6.09 -1.94 -2.21 117.51 125.39 3jrm h ILE 12 Ca -0.33 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 3jrm h ILE 12 Cb 1.13 0.67 0.00 0.00 0.47 0.00 0.00 36.82 39.09 3jrm h ILE 12 CO 0.33 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.76 3jrm n THR 13 N -3.15 0.54 -3.97 2.19 -2.24 -1.26 -4.68 114.28 101.71 3jrm n THR 13 Ca 0.01 -0.68 -0.35 0.00 -2.27 0.00 0.00 64.05 60.76 3jrm n THR 13 Cb 0.44 0.67 -0.12 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.46 4.28 0.20 2.28 1.01 -0.83 -5.09 120.40 120.78 3jrm s VAL 14 Ca 0.38 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 3jrm s VAL 14 Cb 0.21 -2.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.55 3jrm s VAL 14 CO 0.29 0.40 0.76 -0.36 0.00 0.00 0.00 175.10 176.20 3jrm s PHE 15 N 1.05 3.77 0.80 5.22 0.08 -1.26 -4.68 117.98 122.97 3jrm s PHE 15 Ca 0.03 1.53 -0.11 0.00 0.12 0.00 0.00 56.93 58.50 3jrm s PHE 15 Cb -0.14 -2.71 0.07 0.00 -0.57 0.00 0.00 43.02 39.67 3jrm s PHE 15 CO 0.02 0.41 1.09 -1.54 -0.10 0.00 0.00 175.22 175.11 3jrm s SER 16 N -1.40 4.36 0.64 1.36 1.04 -0.51 -4.88 113.70 114.31 3jrm s SER 16 Ca 0.40 1.46 0.35 0.00 0.48 0.00 0.00 55.95 58.64 3jrm s SER 16 Cb -0.20 -2.20 1.93 0.00 0.10 0.00 0.00 66.02 65.65 3jrm s SER 16 CO 0.23 -2.07 2.15 -0.65 0.98 0.00 0.00 173.24 173.88 3jrm h PRO 17 N -1.16 0.00 -0.19 4.02 0.11 -1.97 0.30 132.00 133.12 3jrm h PRO 17 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3jrm h PRO 17 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3jrm h PRO 17 CO 0.57 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 3jrm n ASP 18 N -3.27 1.69 -0.40 -2.05 8.00 -1.26 -4.94 116.55 114.31 3jrm n ASP 18 Ca -0.01 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3jrm n ASP 18 Cb 0.25 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 1.12 0.85 3.63 0.44 0.00 0.09 -5.07 105.19 106.26 3jrm n GLY 19 Ca 0.16 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.75 2.29 -0.58 1.61 0.52 -1.25 -4.86 118.95 111.93 3jrm s ARG 20 Ca 0.00 -1.08 0.03 0.00 -0.52 0.00 0.00 55.73 54.17 3jrm s ARG 20 Cb 0.00 -2.33 0.14 0.00 0.52 0.00 0.00 34.95 33.28 3jrm s ARG 20 CO 0.00 0.48 0.34 -0.51 0.02 0.00 0.00 175.30 175.62 3jrm s LEU 21 N -2.66 4.53 0.28 2.53 1.43 -1.26 -1.42 118.68 122.11 3jrm s LEU 21 Ca 0.25 -3.20 -0.00 0.00 -1.03 0.00 0.00 54.13 50.15 3jrm s LEU 21 Cb -0.10 -1.66 0.41 0.00 0.03 0.00 0.00 46.19 44.87 3jrm s LEU 21 CO 0.17 -0.21 1.81 -0.26 0.23 0.00 0.00 176.35 178.08 3jrm h PHE 22 N 6.29 0.78 -0.54 0.29 0.04 -1.83 -1.48 116.94 120.49 3jrm h PHE 22 Ca -0.02 -0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.69 3jrm h PHE 22 Cb 0.86 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 3jrm h PHE 22 CO 0.58 0.71 0.36 0.37 -0.60 0.00 0.00 178.31 179.72 3jrm h GLN 23 N 0.71 0.61 -0.37 1.51 5.75 -1.86 0.27 115.11 121.72 3jrm h GLN 23 Ca 0.15 -0.04 -0.14 0.00 -0.15 0.00 0.00 58.65 58.47 3jrm h GLN 23 Cb 0.37 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 3jrm h GLN 23 CO 0.01 0.40 -0.33 0.28 -2.65 0.00 0.00 178.83 176.55 3jrm h VAL 24 N 0.62 1.28 -0.09 2.39 2.07 -1.66 -1.39 116.25 119.47 3jrm h VAL 24 Ca 0.22 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 3jrm h VAL 24 Cb 0.09 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3jrm h VAL 24 CO -0.06 0.49 -0.35 -0.33 0.02 0.00 0.00 177.57 177.35 3jrm h GLU 25 N 0.70 0.17 -0.23 1.57 5.08 -0.64 -2.43 114.58 118.81 3jrm h GLU 25 Ca 0.07 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3jrm h GLU 25 Cb 0.88 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.13 3jrm h GLU 25 CO 0.08 0.50 -0.64 1.88 -1.00 0.00 0.00 179.01 179.83 3jrm h TYR 26 N 0.15 1.08 -0.96 4.33 0.99 -0.28 -2.57 116.97 119.71 3jrm h TYR 26 Ca 0.02 -0.43 0.18 0.00 2.00 0.00 0.00 58.73 60.50 3jrm h TYR 26 Cb 0.69 -0.19 -0.09 0.00 1.00 0.00 0.00 36.73 38.15 3jrm h TYR 26 CO 0.01 1.26 0.61 0.00 -0.00 0.00 0.00 178.16 180.04 3jrm h ALA 27 N 0.62 1.86 0.00 3.88 0.00 -1.03 0.07 119.26 124.66 3jrm h ALA 27 Ca -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3jrm h ALA 27 Cb 1.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3jrm h ALA 27 CO 0.14 -0.18 -0.16 0.00 0.00 0.00 0.00 179.25 179.05 3jrm h ARG 28 N 0.66 0.00 -0.00 0.00 3.08 -1.04 -2.17 114.38 114.91 3jrm h ARG 28 Ca 0.52 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.45 3jrm h ARG 28 Cb 0.94 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 3jrm h ARG 28 CO -0.28 0.16 -0.60 0.93 -1.07 0.00 0.00 179.97 179.11 3jrm h GLU 29 N 0.00 0.01 -0.95 0.04 4.39 -0.79 -2.89 114.58 114.38 3jrm h GLU 29 Ca -0.00 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.79 3jrm h GLU 29 Cb 0.39 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.97 3jrm h GLU 29 CO 0.02 0.60 0.59 0.00 -1.16 0.00 0.00 179.01 179.06 3jrm h ALA 30 N 1.40 1.37 -0.61 3.43 0.00 -1.20 -2.65 119.26 120.99 3jrm h ALA 30 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3jrm h ALA 30 Cb 1.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3jrm h ALA 30 CO 0.08 0.27 0.33 0.28 0.00 0.00 0.00 179.25 180.21 3jrm h VAL 31 N 1.01 1.19 0.00 0.00 2.07 -1.51 -2.39 116.25 116.60 3jrm h VAL 31 Ca 0.44 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3jrm h VAL 31 Cb 0.33 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3jrm h VAL 31 CO -0.22 0.20 -0.04 0.11 0.02 0.00 0.00 177.57 177.64 3jrm h LYS 32 N 0.85 0.00 0.00 1.57 1.57 -1.51 -1.91 116.57 117.14 3jrm h LYS 32 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3jrm h LYS 32 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3jrm h LYS 32 CO -0.04 0.04 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 3jrm n LYS 33 N -3.30 0.24 -2.41 3.15 5.02 -0.90 -2.77 118.16 117.20 3jrm n LYS 33 Ca -0.01 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 3jrm n LYS 33 Cb 0.20 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 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 -2.75 1.78 0.51 0.72 0.00 -0.72 -4.88 107.32 101.98 3jrm s GLY 34 Ca 0.22 -0.16 -0.19 0.00 0.00 0.00 0.00 44.72 44.59 3jrm s GLY 34 CO 0.47 0.07 1.03 -1.35 0.00 0.00 0.00 173.10 173.32 3jrm s SER 35 N -3.67 6.28 0.37 1.64 1.04 -1.26 -0.48 113.70 117.62 3jrm s SER 35 Ca 0.53 1.86 -0.27 0.00 0.48 0.00 0.00 55.95 58.56 3jrm s SER 35 Cb -0.10 -2.55 -0.09 0.00 0.10 0.00 0.00 66.02 63.38 3jrm s SER 35 CO 0.41 -0.82 1.21 -0.89 0.98 0.00 0.00 173.24 174.13 3jrm s THR 36 N -2.15 3.03 0.06 2.02 2.01 -1.26 -4.58 115.64 114.78 3jrm s THR 36 Ca 0.65 0.93 -0.01 0.00 0.31 0.00 0.00 61.69 63.58 3jrm s THR 36 Cb -0.15 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 3jrm s THR 36 CO 0.24 0.14 -0.03 0.00 -0.69 0.00 0.00 174.62 174.28 3jrm s ALA 37 N -1.30 0.61 0.12 7.40 0.00 -0.65 -1.15 121.76 126.78 3jrm s ALA 37 Ca 0.54 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 3jrm s ALA 37 Cb -0.34 0.30 0.04 0.00 0.00 0.00 0.00 23.12 23.12 3jrm s ALA 37 CO 0.43 -0.36 0.42 -0.48 0.00 0.00 0.00 175.76 175.77 3jrm s LEU 38 N -2.95 0.33 0.02 0.00 0.05 0.15 -1.35 118.68 114.93 3jrm s LEU 38 Ca 0.09 -0.26 -0.02 0.00 0.05 0.00 0.00 54.13 54.00 3jrm s LEU 38 Cb 0.08 1.88 -0.02 0.00 -2.05 0.00 0.00 46.19 46.08 3jrm s LEU 38 CO -0.08 -0.84 0.00 -0.83 -0.55 0.00 0.00 176.35 174.05 3jrm s GLY 39 N -2.71 0.20 -0.04 -3.48 0.00 -0.58 -0.52 107.32 100.19 3jrm s GLY 39 Ca 0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 44.72 44.15 3jrm s GLY 39 CO -0.11 -0.57 0.23 -3.16 0.00 0.00 0.00 173.10 169.49 3jrm s MET 40 N -1.43 0.45 0.29 2.90 0.23 -0.90 -1.62 119.30 119.21 3jrm s MET 40 Ca -0.16 -0.03 -0.28 0.00 -1.03 0.00 0.00 55.69 54.19 3jrm s MET 40 Cb -0.09 0.20 -0.09 0.00 -1.53 0.00 0.00 34.83 33.31 3jrm s MET 40 CO -0.00 -0.10 1.01 0.15 -2.03 0.00 0.00 175.02 174.05 3jrm s LYS 41 N -0.72 4.65 0.00 3.16 1.02 0.23 -1.35 119.74 126.74 3jrm s LYS 41 Ca -0.08 1.58 0.00 0.00 0.02 0.00 0.00 55.97 57.49 3jrm s LYS 41 Cb -0.04 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3jrm s LYS 41 CO 0.02 0.29 0.00 1.97 -0.92 0.00 0.00 175.35 176.71 3jrm n PHE 42 N 1.05 0.00 -1.60 3.18 1.16 0.23 -4.64 117.46 116.85 3jrm n PHE 42 Ca -0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.13 3jrm n PHE 42 Cb 0.47 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.30 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 1.58 -3.04 1.98 0.00 -0.19 -2.28 120.51 115.56 3jrm n ALA 43 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 3jrm n ALA 43 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 19.45 16.67 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 10.23 -4.79 -3.67 0.00 4.13 -1.26 -4.83 115.26 115.06 3jrm n ASN 44 Ca 0.29 -0.24 0.01 0.00 1.68 0.00 0.00 54.58 56.32 3jrm n ASN 44 Cb 0.40 -3.94 0.02 0.00 -1.54 0.00 0.00 39.78 34.72 3jrm n ASN 44 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3jrm s GLY 45 N -2.57 -0.04 -0.02 7.41 0.00 -0.97 -0.12 107.32 111.01 3jrm s GLY 45 Ca 0.28 -0.11 -0.18 0.00 0.00 0.00 0.00 44.72 44.71 3jrm s GLY 45 CO 0.35 4.74 0.38 0.54 0.00 0.00 0.00 173.10 179.11 3jrm s VAL 46 N -2.04 0.05 0.13 1.40 0.11 -0.78 -0.60 120.40 118.67 3jrm s VAL 46 Ca 0.27 -0.38 -0.00 0.00 -2.93 0.00 0.00 61.98 58.94 3jrm s VAL 46 Cb -0.01 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3jrm s VAL 46 CO 0.01 -0.21 0.04 -1.48 -3.33 0.00 0.00 175.10 170.13 3jrm s LEU 47 N -1.28 1.91 -0.01 2.54 0.05 -0.46 -2.10 118.68 119.33 3jrm s LEU 47 Ca -0.13 -1.18 0.03 0.00 0.05 0.00 0.00 54.13 52.90 3jrm s LEU 47 Cb -0.04 0.20 -0.01 0.00 -2.05 0.00 0.00 46.19 44.29 3jrm s LEU 47 CO 0.05 -0.68 -0.11 -0.76 -0.55 0.00 0.00 176.35 174.30 3jrm s LEU 48 N -3.07 2.03 -0.04 1.48 1.43 -0.06 -2.12 118.68 118.33 3jrm s LEU 48 Ca 0.23 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3jrm s LEU 48 Cb 0.07 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.74 3jrm s LEU 48 CO 0.01 0.13 -0.08 -0.63 0.23 0.00 0.00 176.35 176.01 3jrm s ILE 49 N -0.28 0.77 -0.10 -0.59 1.01 0.32 -1.80 121.20 120.54 3jrm s ILE 49 Ca 0.04 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.40 3jrm s ILE 49 Cb -0.04 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.72 3jrm s ILE 49 CO -0.00 0.26 -0.13 -0.55 0.00 0.00 0.00 174.94 174.52 3jrm s SER 50 N 0.50 2.17 0.51 3.58 0.15 -0.17 -0.67 113.70 119.78 3jrm s SER 50 Ca -0.08 -0.36 -0.22 0.00 0.70 0.00 0.00 55.95 55.99 3jrm s SER 50 Cb -0.12 -0.95 -0.06 0.00 -1.71 0.00 0.00 66.02 63.18 3jrm s SER 50 CO 0.01 -0.01 1.22 -0.62 1.20 0.00 0.00 173.24 175.05 3jrm s ASP 51 N 1.04 5.71 -0.21 5.45 2.15 -0.30 -1.25 116.67 129.26 3jrm s ASP 51 Ca -0.07 2.44 0.01 0.00 0.43 0.00 0.00 52.55 55.36 3jrm s ASP 51 Cb -0.15 -2.61 0.05 0.00 -0.30 0.00 0.00 42.92 39.91 3jrm s ASP 51 CO -0.01 -1.24 -0.09 -0.54 -0.17 0.00 0.00 175.17 173.12 3jrm s LYS 52 N -2.91 1.88 -0.95 4.34 1.02 -1.26 -4.65 119.74 117.20 3jrm s LYS 52 Ca 0.69 -0.86 -0.26 0.00 0.02 0.00 0.00 55.97 55.55 3jrm s LYS 52 Cb -0.32 -2.44 -0.18 0.00 -0.52 0.00 0.00 37.83 34.37 3jrm s LYS 52 CO 0.37 -0.47 2.24 -1.59 -0.92 0.00 0.00 175.35 174.98 3jrm s LYS 53 N 1.41 1.39 0.26 1.68 -2.85 -1.26 -4.92 119.74 115.45 3jrm s LYS 53 Ca -0.02 -0.02 -0.30 0.00 -1.00 0.00 0.00 55.97 54.62 3jrm s LYS 53 Cb -0.17 -4.90 -0.09 0.00 -2.06 0.00 0.00 37.83 30.61 3jrm s LYS 53 CO -0.08 -5.00 1.04 0.08 0.10 0.00 0.00 175.35 171.50 3jrm s VAL 54 N 15.90 3.72 0.00 1.79 1.01 -1.26 -4.94 120.40 136.62 3jrm s VAL 54 Ca 0.86 1.71 0.00 0.00 0.00 0.00 0.00 61.98 64.56 3jrm s VAL 54 Cb -0.09 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3jrm s VAL 54 CO 0.13 0.40 0.64 -2.11 0.00 0.00 0.00 175.10 174.16 3jrm n ARG 55 N 1.37 0.00 0.00 2.72 -4.01 -1.26 -5.10 116.66 110.38 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 0.46 -0.25 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 0.11 2.89 2.88 -1.26 -4.98 113.62 113.26 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 0.44 0.00 -0.75 0.00 0.00 64.21 64.48 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 -1.43 0.23 0.12 -1.46 1.85 -1.26 -3.07 116.66 111.64 3jrm n ARG 57 Ca 0.00 0.28 0.13 0.00 -1.00 0.00 0.00 57.85 57.25 3jrm n ARG 57 Cb 0.00 -1.82 0.43 0.00 -1.05 0.00 0.00 32.46 30.03 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 -2.23 0.81 -4.79 2.89 4.77 -1.26 -4.81 117.00 112.38 3jrm n LEU 58 Ca 0.04 0.61 -0.34 0.00 -0.03 0.00 0.00 56.01 56.29 3jrm n LEU 58 Cb 0.36 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3jrm n LEU 58 CO 0.27 -0.32 0.74 -0.63 -1.33 0.00 0.00 177.39 176.12 3jrm s ILE 59 N -3.18 3.51 -0.32 -0.08 -1.09 -1.17 -5.02 121.20 113.85 3jrm s ILE 59 Ca 0.08 0.90 -0.22 0.00 -2.23 0.00 0.00 60.65 59.19 3jrm s ILE 59 Cb 0.11 -3.36 -0.00 0.00 -1.58 0.00 0.00 42.46 37.63 3jrm s ILE 59 CO 0.54 -0.24 0.71 -1.61 -1.23 0.00 0.00 174.94 173.10 3jrm s GLU 60 N -3.39 3.88 -0.07 2.79 0.41 -1.26 -4.97 118.70 116.08 3jrm s GLU 60 Ca 0.69 0.38 -0.17 0.00 -0.41 0.00 0.00 54.97 55.45 3jrm s GLU 60 Cb -0.19 -3.75 -0.13 0.00 -1.78 0.00 0.00 34.13 28.28 3jrm s GLU 60 CO 0.26 -0.67 0.66 0.37 -0.49 0.00 0.00 175.26 175.39 3jrm h GLN 61 N 8.24 -0.19 0.00 1.61 -0.00 -1.95 -3.27 115.11 119.55 3jrm h GLN 61 Ca -0.25 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.41 3jrm h GLN 61 Cb 1.11 0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.63 3jrm h GLN 61 CO 0.85 0.20 0.22 -2.95 0.00 0.00 0.00 178.83 177.15 3jrm h ASN 62 N -0.94 0.00 0.00 -0.69 7.08 -2.05 -3.35 115.58 115.63 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 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.71 3jrm h ASN 62 CO 0.03 0.00 0.00 -0.24 -2.08 0.00 0.00 177.43 175.14 3jrm n SER 63 N -2.81 0.00 -3.03 6.14 2.88 -1.23 -4.95 113.62 110.62 3jrm n SER 63 Ca -0.02 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.09 3jrm n SER 63 Cb 0.27 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.66 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 -3.59 2.46 -6.64 -1.25 -4.96 119.36 105.38 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 -0.33 -0.07 0.00 -1.44 0.00 0.00 39.64 37.80 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 2.47 0.91 0.16 6.28 -1.05 -1.26 -4.92 118.70 121.29 3jrm s GLU 65 Ca 0.71 0.41 0.10 0.00 -0.15 0.00 0.00 54.97 56.05 3jrm s GLU 65 Cb -0.98 0.43 -0.12 0.00 -0.44 0.00 0.00 34.13 33.02 3jrm s GLU 65 CO 0.51 -0.23 1.29 0.87 0.95 0.00 0.00 175.26 178.65 3jrm h LYS 66 N 3.80 0.00 -6.48 -4.83 1.57 -1.93 -3.43 116.57 105.28 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 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3jrm h LYS 66 CO 0.29 0.80 0.35 0.42 -0.57 0.00 0.00 179.45 180.74 3jrm s ILE 67 N -2.79 4.68 -0.04 1.86 1.01 -1.26 -3.89 121.20 120.77 3jrm s ILE 67 Ca 0.02 2.03 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 38.28 3jrm s ILE 67 CO 0.80 0.25 -0.03 -1.10 0.00 0.00 0.00 174.94 174.85 3jrm s GLN 68 N 0.44 0.71 0.11 2.79 -1.52 0.46 -4.99 119.66 117.66 3jrm s GLN 68 Ca 0.48 -0.06 -0.31 0.00 -1.95 0.00 0.00 55.36 53.52 3jrm s GLN 68 Cb -0.22 -0.77 -0.07 0.00 -0.22 0.00 0.00 33.01 31.73 3jrm s GLN 68 CO 0.28 -0.10 1.26 -0.51 -0.25 0.00 0.00 175.29 175.98 3jrm s LEU 69 N 0.96 4.39 -0.13 2.90 1.43 -1.26 -0.70 118.68 126.26 3jrm s LEU 69 Ca -0.11 2.17 -0.08 0.00 -1.03 0.00 0.00 54.13 55.09 3jrm s LEU 69 Cb -0.14 -3.59 -0.25 0.00 0.03 0.00 0.00 46.19 42.24 3jrm s LEU 69 CO -0.00 -0.51 0.33 -0.38 0.23 0.00 0.00 176.35 176.02 3jrm n ILE 70 N 3.62 1.75 -2.72 -0.59 2.08 0.20 -4.92 119.36 118.79 3jrm n ILE 70 Ca 0.09 -0.59 0.00 0.00 0.56 0.00 0.00 62.75 62.81 3jrm n ILE 70 Cb 0.45 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 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 -3.58 0.00 0.22 4.38 3.85 -0.88 -4.72 116.55 115.82 3jrm n ASP 71 Ca -0.32 -0.09 0.15 0.00 -0.71 0.00 0.00 54.79 53.82 3jrm n ASP 71 Cb 1.01 0.00 0.58 0.00 -1.35 0.00 0.00 41.12 41.35 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 -3.23 116.42 113.32 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 -2.80 0.08 -3.70 4.55 4.02 -1.26 -1.53 117.16 116.52 3jrm n TYR 73 Ca 0.02 -0.18 -0.11 0.00 -0.01 0.00 0.00 57.90 57.61 3jrm n TYR 73 Cb 0.31 -0.01 -0.12 0.00 -0.02 0.00 0.00 39.34 39.49 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 -0.66 -0.09 0.22 -0.72 1.01 -1.22 -1.76 120.40 117.17 3jrm s VAL 74 Ca 0.08 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.25 3jrm s VAL 74 Cb 0.05 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 3jrm s VAL 74 CO 0.07 0.05 -0.08 0.00 0.00 0.00 0.00 175.10 175.15 3jrm s ALA 75 N 1.48 1.91 0.02 5.51 0.00 -0.25 0.61 121.76 131.03 3jrm s ALA 75 Ca -0.08 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.18 3jrm s ALA 75 Cb -0.10 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 3jrm s ALA 75 CO -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 175.76 175.53 3jrm s ALA 76 N -3.18 0.28 0.11 0.00 0.00 0.12 -1.50 121.76 117.59 3jrm s ALA 76 Ca 0.24 -0.42 0.08 0.00 0.00 0.00 0.00 51.96 51.87 3jrm s ALA 76 Cb 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3jrm s ALA 76 CO 0.07 -0.03 -0.16 0.14 0.00 0.00 0.00 175.76 175.79 3jrm s VAL 77 N -0.81 3.00 0.22 0.00 -7.23 -0.46 -0.41 120.40 114.72 3jrm s VAL 77 Ca -0.07 -1.41 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 3jrm s VAL 77 Cb -0.06 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 3jrm s VAL 77 CO -0.00 0.12 -0.09 0.42 -0.31 0.00 0.00 175.10 175.24 3jrm s THR 78 N -1.15 1.50 -0.13 5.32 -4.23 -1.25 -0.76 115.64 114.94 3jrm s THR 78 Ca 0.19 -2.13 -0.09 0.00 -1.18 0.00 0.00 61.69 58.47 3jrm s THR 78 Cb -0.11 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.59 3jrm s THR 78 CO 0.11 -0.49 0.33 -0.55 -0.54 0.00 0.00 174.62 173.47 3jrm s SER 79 N -3.33 -0.36 0.00 3.99 0.15 -0.55 -4.95 113.70 108.65 3jrm s SER 79 Ca 0.25 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.57 3jrm s SER 79 Cb 0.02 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 3jrm s SER 79 CO 0.08 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.98 3jrm n GLY 80 N 3.51 0.46 3.65 9.45 0.00 -1.26 -1.68 105.19 119.33 3jrm n GLY 80 Ca -0.18 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 4.27 0.14 0.99 1.43 -0.38 -4.75 118.68 120.39 3jrm s LEU 81 Ca 0.00 2.48 -0.16 0.00 -1.03 0.00 0.00 54.13 55.42 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 -1.16 1.77 -0.37 0.23 0.00 0.00 176.35 176.81 3jrm h VAL 82 N 5.84 1.14 -0.47 -1.59 -1.51 -1.96 -1.44 116.25 116.26 3jrm h VAL 82 Ca -0.47 -0.33 -0.04 0.00 -1.23 0.00 0.00 66.70 64.63 3jrm h VAL 82 Cb 1.23 0.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 3jrm h VAL 82 CO 0.95 0.14 0.15 0.00 -1.23 0.00 0.00 177.57 177.58 3jrm h ALA 83 N 1.09 0.61 -0.49 5.19 0.00 -2.00 -0.91 119.26 122.75 3jrm h ALA 83 Ca 0.14 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3jrm h ALA 83 Cb 0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3jrm h ALA 83 CO -0.03 0.26 0.15 -0.44 0.00 0.00 0.00 179.25 179.20 3jrm h ASP 84 N 0.62 0.12 -0.89 0.00 5.19 -1.92 -2.31 116.42 117.23 3jrm h ASP 84 Ca 0.15 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.64 3jrm h ASP 84 Cb 0.26 0.07 -0.05 0.00 0.18 0.00 0.00 39.33 39.80 3jrm h ASP 84 CO -0.01 0.10 0.59 0.00 -3.12 0.00 0.00 179.24 176.80 3jrm h ALA 85 N 1.35 1.38 -0.37 3.45 0.00 -0.65 -1.96 119.26 122.46 3jrm h ALA 85 Ca 0.24 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3jrm h ALA 85 Cb 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3jrm h ALA 85 CO -0.27 0.57 0.12 -0.09 0.00 0.00 0.00 179.25 179.58 3jrm h ARG 86 N 1.19 0.56 -0.62 0.00 2.43 -0.65 -0.56 114.38 116.73 3jrm h ARG 86 Ca 0.33 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 3jrm h ARG 86 Cb -0.11 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 3jrm h ARG 86 CO -0.08 0.58 0.20 0.28 -1.51 0.00 0.00 179.97 179.44 3jrm h VAL 87 N 0.44 1.23 -0.15 0.20 2.07 -1.05 -1.55 116.25 117.45 3jrm h VAL 87 Ca 0.12 -0.79 -0.21 0.00 0.82 0.00 0.00 66.70 66.65 3jrm h VAL 87 Cb 0.24 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3jrm h VAL 87 CO -0.00 0.30 -0.73 -0.07 0.02 0.00 0.00 177.57 177.09 3jrm h LEU 88 N 0.91 0.81 -0.53 2.57 3.38 -1.01 -2.26 115.31 119.17 3jrm h LEU 88 Ca 0.21 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3jrm h LEU 88 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3jrm h LEU 88 CO -0.01 1.30 0.25 0.58 0.09 0.00 0.00 178.44 180.65 3jrm h VAL 89 N 0.48 1.20 -0.74 1.22 2.07 -0.82 -0.15 116.25 119.50 3jrm h VAL 89 Ca -0.04 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3jrm h VAL 89 Cb 1.34 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3jrm h VAL 89 CO 0.15 0.23 0.49 0.44 0.02 0.00 0.00 177.57 178.89 3jrm h ASP 90 N 0.72 0.82 -0.31 0.57 3.32 -1.24 -0.24 116.42 120.06 3jrm h ASP 90 Ca 0.18 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3jrm h ASP 90 Cb 0.12 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3jrm h ASP 90 CO -0.02 0.58 0.02 0.15 -1.72 0.00 0.00 179.24 178.25 3jrm h PHE 91 N 0.96 0.58 -0.79 4.55 3.57 -0.94 -1.61 116.94 123.26 3jrm h PHE 91 Ca 0.28 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.73 3jrm h PHE 91 Cb -0.04 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 3jrm h PHE 91 CO -0.00 0.64 0.49 0.00 -2.23 0.00 0.00 178.31 177.22 3jrm h ALA 92 N 0.86 1.05 -0.13 2.41 0.00 -0.27 0.79 119.26 123.97 3jrm h ALA 92 Ca 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3jrm h ALA 92 Cb 0.40 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3jrm h ALA 92 CO 0.01 0.28 -0.03 0.00 0.00 0.00 0.00 179.25 179.51 3jrm h ARG 93 N 0.94 0.24 -0.63 0.00 3.08 -0.74 -0.83 114.38 116.46 3jrm h ARG 93 Ca 0.33 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 3jrm h ARG 93 Cb 0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3jrm h ARG 93 CO -0.13 0.53 0.35 0.82 -1.07 0.00 0.00 179.97 180.47 3jrm h ILE 94 N -0.06 1.19 -0.74 2.04 2.04 -1.11 -2.03 117.51 118.85 3jrm h ILE 94 Ca 0.03 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 3jrm h ILE 94 Cb 0.44 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3jrm h ILE 94 CO 0.01 0.21 0.30 -1.28 0.00 0.00 0.00 178.15 177.39 3jrm h SER 95 N 0.85 1.02 -0.19 1.72 0.87 -0.65 -0.01 113.55 117.15 3jrm h SER 95 Ca 0.22 -0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3jrm h SER 95 Cb 0.02 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3jrm h SER 95 CO -0.04 0.91 0.06 0.00 -0.53 0.00 0.00 176.83 177.24 3jrm h ALA 96 N 1.15 0.21 -0.16 6.23 0.00 -0.89 -2.44 119.26 123.37 3jrm h ALA 96 Ca 0.25 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3jrm h ALA 96 Cb 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3jrm h ALA 96 CO -0.02 -0.36 -0.22 1.96 0.00 0.00 0.00 179.25 180.60 3jrm h GLN 97 N 0.16 0.27 -0.91 0.00 1.08 -0.74 -1.54 115.11 113.43 3jrm h GLN 97 Ca 0.08 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3jrm h GLN 97 Cb 0.05 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3jrm h GLN 97 CO -0.08 0.49 0.52 1.96 -0.95 0.00 0.00 178.83 180.76 3jrm h GLN 98 N 0.25 1.25 -0.36 1.46 4.20 -0.74 -0.89 115.11 120.28 3jrm h GLN 98 Ca 0.04 -0.13 -0.17 0.00 0.06 0.00 0.00 58.65 58.46 3jrm h GLN 98 Cb 0.53 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3jrm h GLN 98 CO 0.04 0.89 -0.44 1.49 -0.67 0.00 0.00 178.83 180.14 3jrm h GLU 99 N 1.26 0.92 -0.71 1.46 4.81 -0.94 -2.11 114.58 119.27 3jrm h GLU 99 Ca 0.32 -0.52 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 3jrm h GLU 99 Cb -0.02 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3jrm h GLU 99 CO -0.06 1.17 0.32 0.87 -0.73 0.00 0.00 179.01 180.58 3jrm h LYS 100 N 0.74 1.03 -0.42 1.92 1.57 -0.90 -1.76 116.57 118.75 3jrm h LYS 100 Ca 0.05 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 3jrm h LYS 100 Cb 1.04 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 3jrm h LYS 100 CO 0.10 0.83 -0.15 0.28 -0.57 0.00 0.00 179.45 179.94 3jrm h VAL 101 N 1.00 1.26 -0.25 0.50 2.07 -1.04 0.59 116.25 120.37 3jrm h VAL 101 Ca 0.24 -1.23 -0.12 0.00 0.82 0.00 0.00 66.70 66.42 3jrm h VAL 101 Cb 0.15 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3jrm h VAL 101 CO -0.03 0.42 -0.30 0.74 0.02 0.00 0.00 177.57 178.42 3jrm h THR 102 N 0.70 1.31 0.00 2.57 2.02 -1.00 -3.38 112.91 115.13 3jrm h THR 102 Ca 0.11 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.81 3jrm h THR 102 Cb 0.64 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3jrm h THR 102 CO 0.04 0.47 -0.50 -1.22 0.37 0.00 0.00 175.52 174.68 3jrm n TYR 103 N -4.29 0.00 0.00 3.16 4.01 -0.70 -5.01 117.16 114.33 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 0.47 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 1.43 2.85 3.81 2.72 0.00 0.20 -5.00 105.19 111.21 3jrm n GLY 104 Ca 0.00 0.00 -0.09 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 -1.37 -0.01 -0.70 1.61 1.04 -1.25 -4.92 113.70 108.10 3jrm s SER 105 Ca 0.00 -1.11 -0.02 0.00 0.48 0.00 0.00 55.95 55.30 3jrm s SER 105 Cb 0.00 0.84 0.18 0.00 0.10 0.00 0.00 66.02 67.14 3jrm s SER 105 CO 0.00 -1.66 0.53 -0.22 0.98 0.00 0.00 173.24 172.87 3jrm s LEU 106 N -3.07 5.30 0.13 2.42 0.20 -1.26 -4.39 118.68 118.01 3jrm s LEU 106 Ca 0.15 -3.14 -0.17 0.00 0.69 0.00 0.00 54.13 51.66 3jrm s LEU 106 Cb -0.05 -1.86 -0.02 0.00 -0.43 0.00 0.00 46.19 43.83 3jrm s LEU 106 CO 0.11 -0.31 1.71 0.58 -0.29 0.00 0.00 176.35 178.16 3jrm h VAL 107 N 4.91 1.15 -3.35 1.68 2.07 -1.99 -3.42 116.25 117.31 3jrm h VAL 107 Ca 0.04 -0.42 -0.58 0.00 0.82 0.00 0.00 66.70 66.56 3jrm h VAL 107 Cb 0.91 0.81 -0.39 0.00 -1.52 0.00 0.00 31.29 31.09 3jrm h VAL 107 CO 0.75 0.16 -0.76 0.21 0.02 0.00 0.00 177.57 177.94 3jrm s ASN 108 N -5.67 3.73 0.57 0.57 3.84 -1.26 -1.64 114.94 115.07 3jrm s ASN 108 Ca -0.13 -1.33 0.31 0.00 0.21 0.00 0.00 52.86 51.92 3jrm s ASN 108 Cb 0.09 -0.92 1.44 0.00 -0.55 0.00 0.00 41.25 41.31 3jrm s ASN 108 CO 0.73 -0.34 1.81 0.40 -2.79 0.00 0.00 177.10 176.91 3jrm h ILE 109 N 6.55 0.37 -0.90 -5.21 2.04 -1.94 -1.75 117.51 116.67 3jrm h ILE 109 Ca -0.15 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.85 3jrm h ILE 109 Cb 1.06 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 3jrm h ILE 109 CO 0.42 0.00 0.58 -0.08 0.00 0.00 0.00 178.15 179.07 3jrm h GLU 110 N 0.00 0.72 -0.21 2.37 4.81 -1.99 -2.28 114.58 118.01 3jrm h GLU 110 Ca 0.37 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.37 3jrm h GLU 110 Cb 1.75 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.97 3jrm h GLU 110 CO -0.00 0.48 -0.63 -0.91 -0.73 0.00 0.00 179.01 177.21 3jrm h ASN 111 N 0.74 0.86 -0.47 1.04 4.21 -1.75 -0.57 115.58 119.64 3jrm h ASN 111 Ca 0.45 -0.50 0.09 0.00 1.21 0.00 0.00 56.30 57.55 3jrm h ASN 111 Cb 0.65 -0.25 -0.07 0.00 -1.12 0.00 0.00 38.32 37.53 3jrm h ASN 111 CO -0.21 1.27 0.01 0.25 -1.29 0.00 0.00 177.43 177.47 3jrm h LEU 112 N 0.55 -0.17 -0.37 1.61 5.85 -1.61 -1.48 115.31 119.69 3jrm h LEU 112 Ca -0.01 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3jrm h LEU 112 Cb 1.23 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 3jrm h LEU 112 CO 0.13 -0.05 0.09 0.58 -0.34 0.00 0.00 178.44 178.85 3jrm h VAL 113 N 0.13 1.22 -0.92 1.05 2.07 -1.07 -2.38 116.25 116.35 3jrm h VAL 113 Ca 0.23 -0.75 0.12 0.00 0.82 0.00 0.00 66.70 67.12 3jrm h VAL 113 Cb 0.34 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 3jrm h VAL 113 CO -0.38 0.26 0.54 0.11 0.02 0.00 0.00 177.57 178.12 3jrm h LYS 114 N 0.44 0.83 -0.78 1.57 1.57 -0.86 0.16 116.57 119.51 3jrm h LYS 114 Ca 0.12 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3jrm h LYS 114 Cb 0.29 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3jrm h LYS 114 CO 0.00 0.55 0.34 0.00 -0.57 0.00 0.00 179.45 179.77 3jrm h ARG 115 N 0.86 1.15 -0.36 3.15 3.08 -0.80 0.33 114.38 121.78 3jrm h ARG 115 Ca 0.46 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 60.24 3jrm h ARG 115 Cb 0.48 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3jrm h ARG 115 CO -0.28 0.92 -0.09 0.28 -1.07 0.00 0.00 179.97 179.73 3jrm h VAL 116 N 1.12 1.28 -0.29 2.04 2.07 -0.89 -2.30 116.25 119.27 3jrm h VAL 116 Ca 0.26 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 3jrm h VAL 116 Cb 0.17 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3jrm h VAL 116 CO -0.03 0.38 -0.06 0.00 0.02 0.00 0.00 177.57 177.89 3jrm h ALA 117 N 0.82 1.36 -0.33 1.67 0.00 -0.38 -2.02 119.26 120.38 3jrm h ALA 117 Ca 0.09 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3jrm h ALA 117 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3jrm h ALA 117 CO 0.04 0.44 -0.24 -0.44 0.00 0.00 0.00 179.25 179.05 3jrm h ASP 118 N 0.44 0.78 -0.82 0.00 3.32 -0.25 -0.54 116.42 119.35 3jrm h ASP 118 Ca 0.09 -0.44 0.11 0.00 0.02 0.00 0.00 57.03 56.81 3jrm h ASP 118 Cb 0.38 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.63 3jrm h ASP 118 CO 0.02 1.05 0.44 -0.61 -1.72 0.00 0.00 179.24 178.42 3jrm h GLN 119 N 0.51 0.69 -0.27 3.56 5.75 -1.16 -1.33 115.11 122.86 3jrm h GLN 119 Ca 0.06 -0.04 -0.15 0.00 -0.15 0.00 0.00 58.65 58.37 3jrm h GLN 119 Cb 0.80 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.19 3jrm h GLN 119 CO 0.06 0.45 -0.43 0.52 -2.65 0.00 0.00 178.83 176.79 3jrm h MET 120 N 0.71 0.76 -0.90 1.69 2.86 -1.09 -3.22 114.93 115.74 3jrm h MET 120 Ca 0.41 -0.46 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3jrm h MET 120 Cb 0.46 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 3jrm h MET 120 CO -0.29 1.09 0.55 0.37 1.06 0.00 0.00 176.91 179.69 3jrm h GLN 121 N 0.51 1.21 -0.85 1.72 -0.00 -0.79 -1.96 115.11 114.96 3jrm h GLN 121 Ca 0.02 -0.10 0.16 0.00 -0.00 0.00 0.00 58.65 58.73 3jrm h GLN 121 Cb 1.02 -0.26 -0.10 0.00 0.00 0.00 0.00 27.48 28.15 3jrm h GLN 121 CO 0.10 0.84 0.40 1.96 0.00 0.00 0.00 178.83 182.13 3jrm h GLN 122 N 1.23 0.52 -0.03 1.69 4.20 -1.26 -0.79 115.11 120.68 3jrm h GLN 122 Ca 0.32 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3jrm h GLN 122 Cb -0.07 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.60 3jrm h GLN 122 CO -0.06 0.35 0.00 0.66 -0.67 0.00 0.00 178.83 179.10 3jrm n TYR 123 N -4.93 0.04 -0.09 2.96 4.02 -0.74 -1.96 117.16 116.45 3jrm n TYR 123 Ca 0.18 -0.02 0.05 0.00 -0.01 0.00 0.00 57.90 58.10 3jrm n TYR 123 Cb 0.48 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 39.93 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 -0.48 0.89 0.00 -0.72 -2.24 -0.31 -3.08 114.28 108.34 3jrm n THR 124 Ca 0.05 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 3jrm n THR 124 Cb 0.05 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.41 2.68 -4.02 -0.78 7.27 -0.83 -4.76 117.38 117.35 3jrm n GLN 125 Ca 0.10 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.82 3jrm n GLN 125 Cb 0.39 -0.74 -0.12 0.00 2.41 0.00 0.00 30.24 32.17 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 -1.16 3.05 0.79 3.69 2.02 -1.17 -4.84 117.35 119.74 3jrm s TYR 126 Ca 0.00 -0.44 -0.13 0.00 -0.37 0.00 0.00 57.07 56.13 3jrm s TYR 126 Cb 0.00 -2.11 0.08 0.00 -0.40 0.00 0.00 41.96 39.53 3jrm s TYR 126 CO 0.00 -0.25 1.17 0.20 -1.57 0.00 0.00 175.55 175.10 3jrm s GLY 127 N 1.08 2.03 0.00 0.71 0.00 -1.26 -3.57 107.32 106.31 3jrm s GLY 127 Ca 0.03 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.44 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 0.09 0.16 3.21 0.20 0.00 -1.26 -5.06 105.19 102.54 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 1.03 0.18 1.61 -7.23 -1.23 -5.16 120.40 107.59 3jrm s VAL 129 Ca 0.00 -1.85 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 3jrm s VAL 129 Cb 0.00 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 3jrm s VAL 129 CO 0.00 -0.66 0.22 0.00 -0.31 0.00 0.00 175.10 174.35 3jrm s ARG 130 N -3.30 3.16 0.88 4.82 1.70 -1.26 -4.83 118.95 120.12 3jrm s ARG 130 Ca 0.11 -0.79 -0.10 0.00 -0.47 0.00 0.00 55.73 54.48 3jrm s ARG 130 Cb 0.00 -2.77 0.12 0.00 -0.57 0.00 0.00 34.95 31.73 3jrm s ARG 130 CO -0.00 0.48 1.12 -2.14 -1.08 0.00 0.00 175.30 173.68 3jrm s PRO 131 N -3.36 1.32 0.07 3.89 0.02 -1.18 -4.90 135.00 130.87 3jrm s PRO 131 Ca 0.33 1.35 -0.30 0.00 0.02 0.00 0.00 61.00 62.39 3jrm s PRO 131 Cb -0.10 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.59 3jrm s PRO 131 CO 0.26 -2.35 1.16 0.71 -0.33 0.00 0.00 177.00 176.44 3jrm s TYR 132 N -2.74 3.49 -1.33 6.54 1.51 -1.26 -4.95 117.35 118.61 3jrm s TYR 132 Ca 0.65 1.40 -0.06 0.00 -1.01 0.00 0.00 57.07 58.04 3jrm s TYR 132 Cb -0.21 -3.36 0.09 0.00 -0.11 0.00 0.00 41.96 38.37 3jrm s TYR 132 CO 0.58 -1.02 2.47 0.41 -1.11 0.00 0.00 175.55 176.88 3jrm n GLY 133 N 3.00 5.08 2.95 0.71 0.00 -1.26 -4.48 105.19 111.19 3jrm n GLY 133 Ca 0.08 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.80 0.04 0.12 1.61 1.01 -1.26 -1.25 120.40 119.87 3jrm s VAL 134 Ca 0.56 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.28 3jrm s VAL 134 Cb 0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.37 3jrm s VAL 134 CO -0.09 -0.19 -0.14 -0.44 0.00 0.00 0.00 175.10 174.23 3jrm s SER 135 N -0.57 4.11 0.02 3.32 0.01 -0.67 -2.63 113.70 117.30 3jrm s SER 135 Ca -0.06 -0.50 0.05 0.00 1.31 0.00 0.00 55.95 56.74 3jrm s SER 135 Cb -0.04 -0.67 -0.02 0.00 0.21 0.00 0.00 66.02 65.50 3jrm s SER 135 CO -0.00 0.17 -0.15 -0.76 0.41 0.00 0.00 173.24 172.90 3jrm s LEU 136 N -2.26 2.12 -0.15 2.44 1.02 0.19 -1.49 118.68 120.54 3jrm s LEU 136 Ca 0.20 -0.39 -0.04 0.00 0.02 0.00 0.00 54.13 53.92 3jrm s LEU 136 Cb -0.10 -0.72 -0.03 0.00 0.02 0.00 0.00 46.19 45.35 3jrm s LEU 136 CO 0.12 0.11 -0.01 -0.63 0.02 0.00 0.00 176.35 175.96 3jrm s ILE 137 N -0.65 4.14 -0.13 -0.59 1.01 0.06 -1.27 121.20 123.78 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 -0.07 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 3jrm s ILE 137 CO 0.01 0.50 -0.13 -0.36 0.00 0.00 0.00 174.94 174.96 3jrm s PHE 138 N 0.17 2.81 -0.01 3.97 0.08 0.18 -1.35 117.98 123.83 3jrm s PHE 138 Ca 0.00 -0.63 0.00 0.00 0.12 0.00 0.00 56.93 56.43 3jrm s PHE 138 Cb -0.13 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 3jrm s PHE 138 CO 0.02 -0.20 -0.01 0.00 -0.10 0.00 0.00 175.22 174.94 3jrm s ALA 139 N 0.33 0.16 0.04 5.36 0.00 -0.56 -0.65 121.76 126.44 3jrm s ALA 139 Ca -0.10 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.77 3jrm s ALA 139 Cb -0.16 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.88 3jrm s ALA 139 CO 0.06 -0.01 0.52 0.41 0.00 0.00 0.00 175.76 176.74 3jrm n GLY 140 N 3.42 0.74 3.46 0.00 0.00 -0.96 -1.09 105.19 110.76 3jrm n GLY 140 Ca -0.17 -0.98 -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 -2.23 3.14 0.00 -0.61 -1.09 -0.72 -0.65 121.20 119.03 3jrm s ILE 141 Ca 0.12 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 3jrm s ILE 141 Cb -0.01 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.61 3jrm s ILE 141 CO 0.01 0.57 0.00 -0.90 -1.23 0.00 0.00 174.94 173.40 3jrm n ASP 142 N 2.62 0.43 0.18 3.58 5.68 -0.34 -4.84 116.55 123.86 3jrm n ASP 142 Ca -0.17 -0.76 0.14 0.00 -0.50 0.00 0.00 54.79 53.49 3jrm n ASP 142 Cb 0.52 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.07 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 0.13 0.11 4.20 -1.56 -2.21 115.11 115.78 3jrm h GLN 143 Ca 0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 3jrm h GLN 143 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 3jrm h GLN 143 CO 0.00 0.00 -1.24 0.82 -0.67 0.00 0.00 178.83 177.74 3jrm h ILE 144 N 0.00 1.48 0.00 2.54 5.03 -1.97 -3.51 117.51 121.08 3jrm h ILE 144 Ca 0.00 -3.00 0.00 0.00 -0.12 0.00 0.00 64.86 61.74 3jrm h ILE 144 Cb 0.40 2.92 0.00 0.00 -3.03 0.00 0.00 36.82 37.10 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 1.50 0.59 3.73 5.37 0.00 -0.83 -5.08 105.19 110.47 3jrm n GLY 145 Ca -0.09 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 4.53 0.12 1.61 0.02 -1.26 -1.20 135.00 136.83 3jrm s PRO 146 Ca 0.00 1.76 0.09 0.00 0.02 0.00 0.00 61.00 62.87 3jrm s PRO 146 Cb 0.00 -3.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 3jrm s PRO 146 CO 0.00 -0.04 -0.21 1.03 -0.33 0.00 0.00 177.00 177.45 3jrm s ARG 147 N 0.02 1.21 -0.20 5.54 1.81 0.18 -4.99 118.95 122.52 3jrm s ARG 147 Ca 0.52 -1.26 -0.04 0.00 -1.72 0.00 0.00 55.73 53.23 3jrm s ARG 147 Cb -0.30 -1.45 0.10 0.00 -0.45 0.00 0.00 34.95 32.85 3jrm s ARG 147 CO 0.34 0.33 0.31 -1.17 -0.68 0.00 0.00 175.30 174.43 3jrm s LEU 148 N -2.15 -0.41 0.16 2.53 2.96 -1.26 -2.26 118.68 118.25 3jrm s LEU 148 Ca 0.10 0.30 0.09 0.00 -0.22 0.00 0.00 54.13 54.40 3jrm s LEU 148 Cb -0.09 0.85 -0.04 0.00 0.50 0.00 0.00 46.19 47.41 3jrm s LEU 148 CO 0.05 -0.28 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.23 3jrm s PHE 149 N 2.46 1.95 0.44 5.38 0.40 0.17 -0.47 117.98 128.32 3jrm s PHE 149 Ca 0.06 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 56.02 3jrm s PHE 149 Cb -0.14 -0.99 -0.06 0.00 0.51 0.00 0.00 43.02 42.33 3jrm s PHE 149 CO -0.13 0.35 0.01 0.16 0.70 0.00 0.00 175.22 176.31 3jrm s ASP 150 N -2.48 3.96 -0.29 1.36 1.47 -0.63 -0.65 116.67 119.41 3jrm s ASP 150 Ca 0.15 -1.45 -0.14 0.00 1.18 0.00 0.00 52.55 52.29 3jrm s ASP 150 Cb -0.07 -0.12 0.12 0.00 -0.34 0.00 0.00 42.92 42.50 3jrm s ASP 150 CO 0.07 -0.57 0.75 0.00 0.68 0.00 0.00 175.17 176.10 3jrm s ASP 152 N 2.19 4.36 0.64 0.00 -4.77 -1.05 -0.64 116.67 117.40 3jrm s ASP 152 Ca -0.07 -1.36 0.30 0.00 -3.30 0.00 0.00 52.55 48.12 3jrm s ASP 152 Cb -0.08 0.20 1.62 0.00 -1.09 0.00 0.00 42.92 43.57 3jrm s ASP 152 CO -0.19 -0.85 1.95 -0.65 0.70 0.00 0.00 175.17 176.14 3jrm h PRO 153 N 1.18 0.00 0.00 2.11 0.11 -1.72 -0.48 132.00 133.19 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 0.68 0.00 -0.12 0.00 -0.21 0.00 0.00 178.00 178.34 3jrm n ALA 154 N -2.08 2.48 -0.72 -0.75 0.00 -1.26 -4.61 120.51 113.57 3jrm n ALA 154 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3jrm n ALA 154 Cb 0.44 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.39 0.60 3.72 0.00 0.00 -0.19 -4.23 105.19 106.48 3jrm n GLY 155 Ca 0.06 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 4.54 0.01 2.61 2.01 -1.26 -4.74 115.64 116.82 3jrm s THR 156 Ca 0.00 1.94 0.07 0.00 0.31 0.00 0.00 61.69 64.01 3jrm s THR 156 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 3jrm s THR 156 CO 0.00 0.21 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.32 3jrm s ILE 157 N 0.58 2.64 -0.03 1.82 1.01 -1.26 -2.53 121.20 123.43 3jrm s ILE 157 Ca 0.51 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 3jrm s ILE 157 Cb -0.24 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.19 3jrm s ILE 157 CO 0.29 0.43 0.17 0.20 0.00 0.00 0.00 174.94 176.04 3jrm s ASN 158 N -1.13 -0.08 -0.12 3.58 -0.87 -1.13 -5.00 114.94 110.19 3jrm s ASN 158 Ca 0.13 0.04 -0.09 0.00 -1.57 0.00 0.00 52.86 51.37 3jrm s ASN 158 Cb -0.10 0.29 -0.04 0.00 -0.02 0.00 0.00 41.25 41.37 3jrm s ASN 158 CO 0.03 -0.27 0.19 -0.70 -2.57 0.00 0.00 177.10 173.78 3jrm s GLU 159 N -0.83 3.70 0.20 -0.60 2.12 -1.26 -1.61 118.70 120.42 3jrm s GLU 159 Ca -0.09 -0.06 0.05 0.00 0.36 0.00 0.00 54.97 55.23 3jrm s GLU 159 Cb -0.05 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 3jrm s GLU 159 CO 0.01 0.64 -0.07 0.71 -0.54 0.00 0.00 175.26 176.01 3jrm s TYR 160 N -0.66 1.53 -0.03 5.30 1.51 0.38 -4.99 117.35 120.37 3jrm s TYR 160 Ca 0.15 -0.78 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 3jrm s TYR 160 Cb -0.13 -0.82 -0.25 0.00 -0.11 0.00 0.00 41.96 40.66 3jrm s TYR 160 CO 0.04 0.11 0.71 0.87 -1.11 0.00 0.00 175.55 176.18 3jrm h LYS 161 N 2.57 0.15 -2.24 -0.62 1.57 -1.94 -3.38 116.57 112.68 3jrm h LYS 161 Ca -0.38 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.08 3jrm h LYS 161 Cb 1.21 0.09 -0.21 0.00 0.08 0.00 0.00 32.23 33.41 3jrm h LYS 161 CO 0.64 0.90 0.05 0.00 -0.57 0.00 0.00 179.45 180.47 3jrm s ALA 162 N -2.60 -1.54 0.29 3.86 0.00 -1.26 -0.60 121.76 119.90 3jrm s ALA 162 Ca -0.10 1.41 -0.20 0.00 0.00 0.00 0.00 51.96 53.07 3jrm s ALA 162 Cb 0.07 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.74 3jrm s ALA 162 CO 0.82 -0.32 0.76 -0.08 0.00 0.00 0.00 175.76 176.94 3jrm s THR 163 N -0.47 0.00 0.17 0.00 -1.32 -0.64 -5.01 115.64 108.37 3jrm s THR 163 Ca -0.06 -0.96 -0.06 0.00 -1.21 0.00 0.00 61.69 59.40 3jrm s THR 163 Cb -0.03 -2.19 -0.02 0.00 -1.51 0.00 0.00 72.50 68.75 3jrm s THR 163 CO 0.05 0.00 0.22 0.00 -2.21 0.00 0.00 174.62 172.68 3jrm s ALA 164 N -3.51 0.39 0.06 11.08 0.00 -1.26 -1.52 121.76 127.00 3jrm s ALA 164 Ca 0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 3jrm s ALA 164 Cb -0.05 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 3jrm s ALA 164 CO 0.07 -0.62 0.02 0.96 0.00 0.00 0.00 175.76 176.20 3jrm s ILE 165 N -4.02 0.20 0.00 0.00 -4.36 -0.46 -4.92 121.20 107.64 3jrm s ILE 165 Ca 0.23 -1.68 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 3jrm s ILE 165 Cb 0.05 -1.50 0.00 0.00 1.25 0.00 0.00 42.46 42.26 3jrm s ILE 165 CO 0.03 -0.91 0.00 0.61 0.24 0.00 0.00 174.94 174.92 3jrm n GLY 166 N 0.07 -2.05 0.10 6.27 0.00 -1.26 -1.64 105.19 106.67 3jrm n GLY 166 Ca -0.14 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.07 -0.04 1.61 4.64 -0.59 -2.04 113.55 117.06 3jrm h SER 167 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3jrm h SER 167 Cb 0.00 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 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 -1.18 1.23 0.33 -0.77 0.00 -1.26 -4.48 105.19 99.07 3jrm n GLY 168 Ca -0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 0.27 -0.25 -0.35 1.61 3.64 -1.58 -1.83 116.57 118.08 3jrm h LYS 169 Ca 0.00 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 3jrm h LYS 169 Cb 0.52 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3jrm h LYS 169 CO 0.03 -0.16 -0.22 -0.44 -2.27 0.00 0.00 179.45 176.39 3jrm h ASP 170 N -0.26 0.80 0.11 4.20 3.32 -1.85 0.19 116.42 122.93 3jrm h ASP 170 Ca 0.17 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 56.82 3jrm h ASP 170 Cb 0.54 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 3jrm h ASP 170 CO -0.53 1.05 -0.31 0.00 -1.72 0.00 0.00 179.24 177.73 3jrm h ALA 171 N 0.77 -0.52 -0.53 3.45 0.00 -1.88 -1.53 119.26 119.02 3jrm h ALA 171 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3jrm h ALA 171 Cb 0.77 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3jrm h ALA 171 CO 0.06 -0.85 0.25 0.28 0.00 0.00 0.00 179.25 178.99 3jrm h VAL 172 N -0.53 1.18 -0.10 0.00 2.07 -0.98 -1.60 116.25 116.29 3jrm h VAL 172 Ca 0.03 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 66.90 3jrm h VAL 172 Cb 0.56 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3jrm h VAL 172 CO -0.19 0.21 -0.52 0.58 0.02 0.00 0.00 177.57 177.67 3jrm h VAL 173 N 0.74 1.37 -0.34 2.57 2.07 -0.46 -2.21 116.25 119.98 3jrm h VAL 173 Ca 0.18 -1.85 -0.13 0.00 0.82 0.00 0.00 66.70 65.73 3jrm h VAL 173 Cb 0.08 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3jrm h VAL 173 CO -0.02 0.56 -0.29 0.77 0.02 0.00 0.00 177.57 178.60 3jrm h SER 174 N 0.12 0.75 -0.63 0.57 4.64 -1.13 0.17 113.55 118.04 3jrm h SER 174 Ca -0.04 -0.30 0.02 0.00 -0.47 0.00 0.00 61.79 61.01 3jrm h SER 174 Cb 1.17 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 63.01 3jrm h SER 174 CO 0.11 1.00 0.40 0.15 -0.87 0.00 0.00 176.83 177.62 3jrm h PHE 175 N 0.62 0.75 -0.13 4.77 3.04 -1.33 -1.84 116.94 122.82 3jrm h PHE 175 Ca 0.07 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.89 3jrm h PHE 175 Cb 0.81 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 3jrm h PHE 175 CO 0.04 0.44 -0.58 -0.07 -2.02 0.00 0.00 178.31 176.12 3jrm h LEU 176 N 0.79 0.47 -1.23 0.59 3.38 -1.04 0.78 115.31 119.05 3jrm h LEU 176 Ca 0.25 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3jrm h LEU 176 Cb -0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3jrm h LEU 176 CO -0.09 0.95 0.55 -0.08 0.09 0.00 0.00 178.44 179.86 3jrm h GLU 177 N 0.31 0.89 0.16 1.13 4.81 -0.28 0.63 114.58 122.23 3jrm h GLU 177 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3jrm h GLU 177 Cb 1.11 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3jrm h GLU 177 CO 0.10 0.59 -0.08 0.00 -0.73 0.00 0.00 179.01 178.89 3jrm h ARG 178 N 0.92 -0.21 0.00 1.92 3.08 -1.04 -3.41 114.38 115.64 3jrm h ARG 178 Ca 0.37 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3jrm h ARG 178 Cb 0.26 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3jrm h ARG 178 CO -0.14 0.08 -0.82 0.39 -1.07 0.00 0.00 179.97 178.41 3jrm n GLU 179 N -4.90 0.28 -2.21 0.04 -0.58 0.24 -4.97 120.64 108.54 3jrm n GLU 179 Ca -0.05 0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.32 3jrm n GLU 179 Cb 0.19 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 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 -3.17 3.20 0.01 -0.32 5.04 0.20 -5.04 117.35 117.28 3jrm s TYR 180 Ca 0.05 1.43 0.04 0.00 -2.44 0.00 0.00 57.07 56.15 3jrm s TYR 180 Cb 0.14 -3.58 -0.01 0.00 0.35 0.00 0.00 41.96 38.85 3jrm s TYR 180 CO 0.76 -1.60 -0.12 0.15 -1.34 0.00 0.00 175.55 173.41 3jrm s LYS 181 N -1.39 0.85 0.58 4.97 1.02 -1.26 -5.01 119.74 119.50 3jrm s LYS 181 Ca 0.50 -0.54 -0.18 0.00 0.02 0.00 0.00 55.97 55.76 3jrm s LYS 181 Cb -0.38 -0.82 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 3jrm s LYS 181 CO 0.47 0.21 1.10 -1.21 -0.92 0.00 0.00 175.35 175.01 3jrm s GLU 182 N -0.67 3.24 -1.41 1.68 2.02 -1.26 -4.08 118.70 118.22 3jrm s GLU 182 Ca 0.02 1.47 0.00 0.00 0.02 0.00 0.00 54.97 56.48 3jrm s GLU 182 Cb -0.06 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.17 3jrm s GLU 182 CO 0.00 -0.92 0.00 0.09 0.02 0.00 0.00 175.26 174.46 3jrm n ASN 183 N -1.68 -4.60 -4.74 -0.19 3.02 -1.26 -4.92 115.26 100.89 3jrm n ASN 183 Ca 0.11 0.20 -0.36 0.00 -0.03 0.00 0.00 54.58 54.49 3jrm n ASN 183 Cb 0.52 -3.53 0.06 0.00 -0.61 0.00 0.00 39.78 36.21 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 -3.65 3.58 0.91 3.41 1.43 -1.26 -4.06 118.68 119.03 3jrm s LEU 184 Ca 0.00 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.53 3jrm s LEU 184 Cb 0.00 -4.61 0.14 0.00 0.03 0.00 0.00 46.19 41.75 3jrm s LEU 184 CO 0.00 -1.91 1.11 -2.84 0.23 0.00 0.00 176.35 172.93 3jrm s PRO 185 N -3.42 1.14 0.13 1.29 0.02 -1.26 -1.03 135.00 131.87 3jrm s PRO 185 Ca 0.80 1.23 -0.23 0.00 0.02 0.00 0.00 61.00 62.82 3jrm s PRO 185 Cb -0.35 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 3jrm s PRO 185 CO 0.38 -2.44 1.66 1.49 -0.33 0.00 0.00 177.00 177.76 3jrm h GLU 186 N -1.72 -0.23 -0.80 5.54 4.81 -1.94 -1.61 114.58 118.64 3jrm h GLU 186 Ca -0.47 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 3jrm h GLU 186 Cb 1.27 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 3jrm h GLU 186 CO 0.48 -0.15 0.53 0.87 -0.73 0.00 0.00 179.01 180.00 3jrm h LYS 187 N -0.23 0.95 -0.35 1.92 1.57 -2.00 -0.20 116.57 118.23 3jrm h LYS 187 Ca 0.08 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 3jrm h LYS 187 Cb 0.34 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3jrm h LYS 187 CO -0.21 0.63 -0.40 0.93 -0.57 0.00 0.00 179.45 179.83 3jrm h GLU 188 N 0.98 0.86 -0.16 3.15 5.08 -1.85 -2.17 114.58 120.48 3jrm h GLU 188 Ca 0.32 -0.46 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3jrm h GLU 188 Cb 0.05 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3jrm h GLU 188 CO -0.09 1.10 -0.08 0.00 -1.00 0.00 0.00 179.01 178.93 3jrm h ALA 189 N 0.84 0.06 -1.00 3.43 0.00 -0.34 -0.33 119.26 121.91 3jrm h ALA 189 Ca 0.06 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3jrm h ALA 189 Cb 0.98 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 3jrm h ALA 189 CO 0.09 -0.52 0.66 0.28 0.00 0.00 0.00 179.25 179.77 3jrm h VAL 190 N -0.07 1.24 -0.17 0.00 2.07 -1.01 -0.34 116.25 117.97 3jrm h VAL 190 Ca 0.09 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3jrm h VAL 190 Cb 0.20 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 3jrm h VAL 190 CO -0.20 0.24 0.03 0.74 0.02 0.00 0.00 177.57 178.40 3jrm h THR 191 N 1.34 1.22 -0.86 2.57 2.02 -0.94 0.35 112.91 118.62 3jrm h THR 191 Ca 0.37 -0.73 0.09 0.00 0.77 0.00 0.00 66.41 66.92 3jrm h THR 191 Cb -0.12 1.37 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 3jrm h THR 191 CO -0.09 0.22 0.51 0.25 0.37 0.00 0.00 175.52 176.78 3jrm h LEU 192 N 0.08 0.74 -0.21 2.58 5.85 -0.72 0.24 115.31 123.86 3jrm h LEU 192 Ca 0.05 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3jrm h LEU 192 Cb 0.31 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3jrm h LEU 192 CO 0.00 0.43 0.07 1.23 -0.34 0.00 0.00 178.44 179.83 3jrm h GLY 193 N 0.86 0.36 1.16 3.75 0.00 -0.61 -0.96 103.07 107.61 3jrm h GLY 193 Ca 0.41 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 3jrm h GLY 193 CO -0.23 0.19 0.37 -2.22 0.00 0.00 0.00 176.54 174.65 3jrm h ILE 194 N 0.18 1.24 -0.11 2.60 1.08 -0.45 -0.60 117.51 121.44 3jrm h ILE 194 Ca 0.07 -0.67 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 3jrm h ILE 194 Cb 0.22 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 3jrm h ILE 194 CO -0.00 0.28 0.05 0.11 -0.69 0.00 0.00 178.15 177.90 3jrm h LYS 195 N 1.09 0.10 -0.52 2.37 1.57 -0.79 -1.60 116.57 118.79 3jrm h LYS 195 Ca 0.26 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3jrm h LYS 195 Cb 0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3jrm h LYS 195 CO -0.03 0.07 0.33 0.00 -0.57 0.00 0.00 179.45 179.25 3jrm h ALA 196 N 1.06 0.66 -0.17 3.86 0.00 -0.59 0.47 119.26 124.54 3jrm h ALA 196 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jrm h ALA 196 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3jrm h ALA 196 CO -0.04 0.12 0.09 1.25 0.00 0.00 0.00 179.25 180.67 3jrm h LEU 197 N 0.70 0.21 -0.90 0.00 5.85 -1.09 -2.54 115.31 117.54 3jrm h LEU 197 Ca 0.19 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.92 3jrm h LEU 197 Cb -0.06 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 3jrm h LEU 197 CO -0.04 0.24 0.54 0.11 -0.34 0.00 0.00 178.44 178.96 3jrm h LYS 198 N 0.16 0.85 0.00 1.25 1.57 -0.76 -1.50 116.57 118.15 3jrm h LYS 198 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3jrm h LYS 198 Cb 0.08 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3jrm h LYS 198 CO -0.01 0.57 0.00 -1.13 -0.57 0.00 0.00 179.45 178.31 3jrm n SER 199 N -4.69 0.04 -0.00 0.86 3.41 0.11 -1.50 113.62 111.85 3jrm n SER 199 Ca 0.16 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 3jrm n SER 199 Cb 0.31 -0.52 -0.11 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.56 0.86 -4.81 4.04 3.41 -0.57 -4.88 113.62 110.12 3jrm n SER 200 Ca 0.00 -0.84 -0.33 0.00 -0.26 0.00 0.00 58.87 57.44 3jrm n SER 200 Cb 0.02 1.10 -0.04 0.00 -0.26 0.00 0.00 64.21 65.02 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 -3.20 3.84 -0.01 1.04 1.43 -0.56 -4.90 118.68 116.31 3jrm s LEU 201 Ca 0.06 1.81 -0.30 0.00 -1.03 0.00 0.00 54.13 54.67 3jrm s LEU 201 Cb 0.16 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 3jrm s LEU 201 CO 0.87 -0.64 2.00 -0.62 0.23 0.00 0.00 176.35 178.19 3jrm n GLU 202 N -0.97 2.67 -1.02 1.70 -0.58 -1.26 -4.97 120.64 116.20 3jrm n GLU 202 Ca 0.08 0.95 -0.33 0.00 -0.42 0.00 0.00 57.16 57.44 3jrm n GLU 202 Cb 0.53 -3.00 0.13 0.00 -0.57 0.00 0.00 31.44 28.54 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 7.61 0.06 -3.40 3.49 -0.00 -1.26 -2.11 120.64 125.02 3jrm n GLU 203 Ca 0.22 0.10 -0.19 0.00 -0.00 0.00 0.00 57.16 57.28 3jrm n GLU 203 Cb 0.40 -2.40 0.07 0.00 -0.00 0.00 0.00 31.44 29.51 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 0.55 -0.34 3.20 -1.84 0.00 -1.26 -5.04 105.19 100.46 3jrm n GLY 204 Ca 0.13 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 0.30 0.01 1.61 2.12 -0.90 -5.15 118.70 110.87 3jrm s GLU 205 Ca 0.33 0.96 -0.18 0.00 0.36 0.00 0.00 54.97 56.44 3jrm s GLU 205 Cb -0.15 0.22 -0.06 0.00 0.26 0.00 0.00 34.13 34.41 3jrm s GLU 205 CO 0.65 -0.29 0.52 -2.00 -0.54 0.00 0.00 175.26 173.60 3jrm s GLU 206 N 2.58 4.17 -0.28 4.30 2.12 -1.26 -4.83 118.70 125.49 3jrm s GLU 206 Ca -0.00 0.61 -0.29 0.00 0.36 0.00 0.00 54.97 55.65 3jrm s GLU 206 Cb -0.12 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.99 3jrm s GLU 206 CO -0.12 0.53 1.29 -1.17 -0.54 0.00 0.00 175.26 175.25 3jrm s LEU 207 N -0.68 3.92 0.91 2.70 2.96 -1.26 -5.04 118.68 122.19 3jrm s LEU 207 Ca 0.27 1.26 -0.15 0.00 -0.22 0.00 0.00 54.13 55.29 3jrm s LEU 207 Cb -0.18 -3.54 0.16 0.00 0.50 0.00 0.00 46.19 43.13 3jrm s LEU 207 CO 0.16 -1.03 1.28 -0.54 -1.32 0.00 0.00 176.35 174.89 3jrm s LYS 208 N 4.06 1.06 -0.13 1.98 1.02 -1.26 -4.94 119.74 121.52 3jrm s LYS 208 Ca 0.55 -0.25 -0.31 0.00 0.02 0.00 0.00 55.97 55.99 3jrm s LYS 208 Cb -0.17 -1.88 -0.08 0.00 -0.52 0.00 0.00 37.83 35.18 3jrm s LYS 208 CO 0.22 -2.16 2.08 0.00 -0.92 0.00 0.00 175.35 174.56 3jrm n ALA 209 N -3.63 1.44 -1.95 5.17 0.00 -1.26 -4.93 120.51 115.36 3jrm n ALA 209 Ca 0.13 0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.33 3jrm n ALA 209 Cb 0.60 -2.72 0.10 0.00 0.00 0.00 0.00 19.45 17.43 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 5.31 1.75 0.03 0.00 0.04 -1.26 -4.69 135.00 136.18 3jrm s PRO 210 Ca 0.97 -0.51 -0.18 0.00 0.04 0.00 0.00 61.00 61.32 3jrm s PRO 210 Cb -0.51 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.82 3jrm s PRO 210 CO 0.43 -1.52 0.50 -1.21 0.04 0.00 0.00 177.00 175.24 3jrm s GLU 211 N -5.34 4.10 -0.03 4.56 2.02 -0.38 -4.93 118.70 118.70 3jrm s GLU 211 Ca 0.64 0.60 0.00 0.00 0.02 0.00 0.00 54.97 56.24 3jrm s GLU 211 Cb -0.08 -3.25 0.03 0.00 0.10 0.00 0.00 34.13 30.93 3jrm s GLU 211 CO 0.46 0.62 -0.00 0.42 0.02 0.00 0.00 175.26 176.78 3jrm s ILE 212 N -0.96 0.19 0.02 -1.63 1.01 -1.26 -1.00 121.20 117.56 3jrm s ILE 212 Ca 0.27 0.08 0.03 0.00 0.00 0.00 0.00 60.65 61.02 3jrm s ILE 212 Cb -0.18 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 3jrm s ILE 212 CO 0.16 0.15 -0.09 0.00 0.00 0.00 0.00 174.94 175.16 3jrm s ALA 213 N 1.00 0.71 0.05 9.38 0.00 -0.74 -0.65 121.76 131.51 3jrm s ALA 213 Ca -0.10 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 3jrm s ALA 213 Cb -0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3jrm s ALA 213 CO -0.02 0.12 -0.01 -1.54 0.00 0.00 0.00 175.76 174.31 3jrm s SER 214 N -0.75 0.42 -0.13 0.00 1.04 -0.65 -0.88 113.70 112.74 3jrm s SER 214 Ca -0.01 -0.90 -0.11 0.00 0.48 0.00 0.00 55.95 55.41 3jrm s SER 214 Cb -0.06 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.30 3jrm s SER 214 CO 0.00 -0.57 0.34 -0.51 0.98 0.00 0.00 173.24 173.48 3jrm s ILE 215 N -3.59 -0.01 0.13 -1.02 2.07 -0.89 -0.98 121.20 116.90 3jrm s ILE 215 Ca 0.04 0.02 0.09 0.00 -1.41 0.00 0.00 60.65 59.39 3jrm s ILE 215 Cb 0.05 -0.48 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 3jrm s ILE 215 CO -0.09 0.01 -0.21 0.42 -1.91 0.00 0.00 174.94 173.16 3jrm s THR 216 N 0.41 1.85 0.25 4.00 -4.23 -1.26 -1.86 115.64 114.81 3jrm s THR 216 Ca -0.02 -1.69 -0.29 0.00 -1.18 0.00 0.00 61.69 58.51 3jrm s THR 216 Cb -0.04 -1.72 -0.15 0.00 1.34 0.00 0.00 72.50 71.94 3jrm s THR 216 CO -0.02 -0.10 1.02 0.52 -0.54 0.00 0.00 174.62 175.50 3jrm n VAL 217 N 0.83 1.71 -1.08 2.29 0.31 0.82 -1.66 118.33 121.54 3jrm n VAL 217 Ca -0.17 -0.43 -0.03 0.00 -0.01 0.00 0.00 64.34 63.70 3jrm n VAL 217 Cb 0.54 -0.90 -0.01 0.00 -0.91 0.00 0.00 33.84 32.56 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 1.49 0.57 3.35 2.92 0.00 -1.26 -5.02 105.19 107.23 3jrm n GLY 218 Ca 0.11 -0.32 -0.18 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 -2.39 1.55 0.50 1.61 0.01 -0.67 -5.16 114.94 110.39 3jrm s ASN 219 Ca 0.00 -1.46 -0.01 0.00 -0.71 0.00 0.00 52.86 50.69 3jrm s ASN 219 Cb 0.00 0.23 0.01 0.00 0.41 0.00 0.00 41.25 41.90 3jrm s ASN 219 CO 0.00 -0.78 0.73 -0.54 -1.51 0.00 0.00 177.10 175.00 3jrm s LYS 220 N -3.93 2.93 0.54 -0.60 1.02 -1.26 -4.70 119.74 113.74 3jrm s LYS 220 Ca 0.36 -0.46 -0.22 0.00 0.02 0.00 0.00 55.97 55.67 3jrm s LYS 220 Cb 0.07 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 3jrm s LYS 220 CO 0.15 -0.44 1.32 0.71 -0.92 0.00 0.00 175.35 176.17 3jrm s TYR 221 N -2.67 2.37 -0.03 3.18 1.51 -0.58 -4.64 117.35 116.48 3jrm s TYR 221 Ca 0.51 1.41 0.04 0.00 -1.01 0.00 0.00 57.07 58.02 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 -2.66 -0.15 -0.98 -1.11 0.00 0.00 175.55 171.04 3jrm s ARG 222 N -2.91 1.46 -0.23 -0.62 1.70 -0.15 -5.00 118.95 113.20 3jrm s ARG 222 Ca 0.71 -0.52 -0.16 0.00 -0.47 0.00 0.00 55.73 55.29 3jrm s ARG 222 Cb -0.38 -1.32 -0.04 0.00 -0.57 0.00 0.00 34.95 32.65 3jrm s ARG 222 CO 0.45 0.23 0.41 0.42 -1.08 0.00 0.00 175.30 175.73 3jrm s ILE 223 N -0.01 5.17 0.27 4.99 -1.09 -1.26 -1.64 121.20 127.63 3jrm s ILE 223 Ca -0.01 0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 58.81 3jrm s ILE 223 Cb -0.10 -3.74 -0.10 0.00 -1.58 0.00 0.00 42.46 36.94 3jrm s ILE 223 CO 0.01 0.20 1.42 -0.31 -1.23 0.00 0.00 174.94 175.03 3jrm s TYR 224 N 1.67 3.00 0.52 3.97 1.51 0.18 -5.01 117.35 123.19 3jrm s TYR 224 Ca 0.18 1.11 -0.07 0.00 -1.01 0.00 0.00 57.07 57.28 3jrm s TYR 224 Cb -0.15 -3.80 -0.04 0.00 -0.11 0.00 0.00 41.96 37.86 3jrm s TYR 224 CO 0.09 -2.53 0.86 0.16 -1.11 0.00 0.00 175.55 173.02 3jrm s ASP 225 N 0.17 6.26 0.27 2.29 -4.77 -1.26 -4.63 116.67 114.99 3jrm s ASP 225 Ca 0.57 1.09 -0.06 0.00 -3.30 0.00 0.00 52.55 50.84 3jrm s ASP 225 Cb -0.42 -2.32 0.49 0.00 -1.09 0.00 0.00 42.92 39.58 3jrm s ASP 225 CO 0.46 -0.67 1.58 1.56 0.70 0.00 0.00 175.17 178.81 3jrm h GLN 226 N 0.06 0.01 -0.31 2.11 7.50 -1.95 -0.96 115.11 121.58 3jrm h GLN 226 Ca -0.46 -0.00 -0.09 0.00 0.50 0.00 0.00 58.65 58.60 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 0.01 -0.17 0.93 -1.50 0.00 0.00 178.83 178.71 3jrm h GLU 227 N 0.02 0.56 -0.28 1.46 5.08 -2.00 -1.16 114.58 118.25 3jrm h GLU 227 Ca 0.47 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3jrm h GLU 227 Cb 0.80 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3jrm h GLU 227 CO -0.90 0.71 -0.08 1.49 -1.00 0.00 0.00 179.01 179.23 3jrm h GLU 228 N 0.50 0.46 -0.28 2.33 4.81 -1.57 -3.10 114.58 117.74 3jrm h GLU 228 Ca 0.08 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 59.01 3jrm h GLU 228 Cb 0.59 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3jrm h GLU 228 CO 0.04 0.55 -0.55 0.28 -0.73 0.00 0.00 179.01 178.59 3jrm h VAL 229 N 0.43 1.28 -0.79 0.32 2.07 -0.86 -3.26 116.25 115.43 3jrm h VAL 229 Ca 0.09 -1.74 0.01 0.00 0.82 0.00 0.00 66.70 65.87 3jrm h VAL 229 Cb 0.41 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3jrm h VAL 229 CO 0.02 0.57 0.52 0.11 0.02 0.00 0.00 177.57 178.81 3jrm h LYS 230 N 0.64 1.05 0.00 1.57 1.57 -1.18 -0.78 116.57 119.44 3jrm h LYS 230 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3jrm h LYS 230 Cb 1.17 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3jrm h LYS 230 CO 0.12 0.70 0.20 1.63 -0.57 0.00 0.00 179.45 181.53 3jrm n LYS 231 N -4.41 0.00 0.00 3.15 5.02 -1.20 -0.09 118.16 120.63 3jrm n LYS 231 Ca 0.09 0.25 0.04 0.00 -2.02 0.00 0.00 58.31 56.67 3jrm n LYS 231 Cb 0.03 -1.70 -0.02 0.00 -0.02 0.00 0.00 35.03 33.33 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 -1.22 0.00 1.88 2.13 3.01 -0.30 -5.16 117.46 117.80 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 0.20 0.00 0.85 0.00 -0.01 0.00 0.00 39.48 40.52 3jrm n PHE 232 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05