#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rg3 s VAL 17 N 0.00 5.17 -0.22 1.39 1.01 0.54 -4.16 120.40 124.12 2rg3 s VAL 17 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2rg3 s VAL 17 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2rg3 s VAL 17 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2rg3 n GLY 18 N 4.04 0.56 0.00 4.51 0.00 -1.26 -1.62 105.19 111.42 2rg3 n GLY 18 Ca -0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2rg3 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rg3 n GLY 19 N -2.58 1.43 3.20 -0.02 0.00 -1.26 -4.95 105.19 101.01 2rg3 n GLY 19 Ca -0.02 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 2rg3 n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rg3 s ARG 20 N 2.58 0.92 0.19 1.61 1.70 -0.21 -4.95 118.95 120.79 2rg3 s ARG 20 Ca 0.00 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 53.73 2rg3 s ARG 20 Cb 0.00 0.29 -0.08 0.00 -0.57 0.00 0.00 34.95 34.59 2rg3 s ARG 20 CO 0.00 -0.28 1.27 1.03 -1.08 0.00 0.00 175.30 176.24 2rg3 s ARG 21 N -3.96 4.43 0.56 3.89 0.52 -1.26 -0.36 118.95 122.75 2rg3 s ARG 21 Ca 0.15 1.98 -0.15 0.00 -0.52 0.00 0.00 55.73 57.19 2rg3 s ARG 21 Cb 0.06 -3.21 -0.06 0.00 0.52 0.00 0.00 34.95 32.26 2rg3 s ARG 21 CO -0.04 -0.19 1.01 0.00 0.02 0.00 0.00 175.30 176.10 2rg3 s ALA 22 N 0.06 2.97 0.42 2.13 0.00 0.01 -4.79 121.76 122.57 2rg3 s ALA 22 Ca 0.55 0.19 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 2rg3 s ALA 22 Cb -0.35 -3.14 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 2rg3 s ALA 22 CO 0.38 -0.48 1.28 0.50 0.00 0.00 0.00 175.76 177.43 2rg3 s ARG 23 N -4.27 3.89 -0.02 0.00 3.52 -1.26 -4.85 118.95 115.96 2rg3 s ARG 23 Ca 0.59 2.09 -0.37 0.00 -0.13 0.00 0.00 55.73 57.92 2rg3 s ARG 23 Cb -0.12 -2.67 -0.15 0.00 -1.56 0.00 0.00 34.95 30.45 2rg3 s ARG 23 CO 0.37 -0.54 1.59 -2.30 -0.81 0.00 0.00 175.30 173.61 2rg3 n PRO 24 N -0.03 1.55 -2.46 5.12 -0.02 -1.26 -1.46 135.00 136.44 2rg3 n PRO 24 Ca 0.05 0.56 -0.19 0.00 -2.02 0.00 0.00 63.50 61.90 2rg3 n PRO 24 Cb 0.44 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 2rg3 n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2rg3 n HIS 25 N 4.13 -1.17 0.22 6.00 8.25 -1.26 -4.86 115.22 126.53 2rg3 n HIS 25 Ca 0.21 0.04 0.09 0.00 -0.26 0.00 0.00 57.72 57.80 2rg3 n HIS 25 Cb 0.21 -3.71 0.50 0.00 1.12 0.00 0.00 29.99 28.12 2rg3 n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rg3 h ALA 26 N 1.00 1.10 -2.55 -1.41 0.00 -1.61 -3.32 119.26 112.46 2rg3 h ALA 26 Ca -0.45 -0.22 -0.60 0.00 0.00 0.00 0.00 54.91 53.65 2rg3 h ALA 26 Cb 1.33 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.68 2rg3 h ALA 26 CO 0.53 0.30 -0.75 0.91 0.00 0.00 0.00 179.25 180.23 2rg3 n TRP 27 N -3.52 1.78 0.00 0.00 7.02 -1.26 -4.97 117.44 116.49 2rg3 n TRP 27 Ca -0.01 -3.92 0.00 0.00 -1.02 0.00 0.00 57.50 52.55 2rg3 n TRP 27 Cb 0.39 -0.35 0.00 0.00 -2.42 0.00 0.00 31.31 28.93 2rg3 n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2rg3 n PRO 28 N 1.85 0.00 0.00 -0.99 -0.04 -1.25 -0.95 135.00 133.62 2rg3 n PRO 28 Ca 0.25 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 2rg3 n PRO 28 Cb 0.42 -1.53 0.24 0.00 -0.04 0.00 0.00 33.50 32.59 2rg3 n PRO 28 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2rg3 n PHE 29 N -1.39 0.00 -2.34 0.54 1.16 -1.23 -1.29 117.46 112.91 2rg3 n PHE 29 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.16 2rg3 n PHE 29 Cb 0.03 -0.08 -0.03 0.00 -1.61 0.00 0.00 39.48 37.79 2rg3 n PHE 29 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 2rg3 s MET 30 N -2.51 4.40 0.06 3.97 1.75 -0.13 -1.17 119.30 125.67 2rg3 s MET 30 Ca 0.22 1.87 0.09 0.00 -1.25 0.00 0.00 55.69 56.62 2rg3 s MET 30 Cb 0.19 -3.31 -0.03 0.00 2.84 0.00 0.00 34.83 34.52 2rg3 s MET 30 CO 0.55 -0.30 -0.25 0.08 -0.65 0.00 0.00 175.02 174.45 2rg3 s VAL 31 N 0.98 2.02 -0.19 10.11 1.01 -0.10 -4.36 120.40 129.86 2rg3 s VAL 31 Ca 0.60 -1.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2rg3 s VAL 31 Cb -0.32 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 2rg3 s VAL 31 CO 0.30 0.26 -0.09 -0.55 0.00 0.00 0.00 175.10 175.02 2rg3 s SER 32 N -1.39 4.00 -0.18 3.32 0.15 -0.70 -1.30 113.70 117.60 2rg3 s SER 32 Ca 0.11 -0.43 -0.16 0.00 0.70 0.00 0.00 55.95 56.18 2rg3 s SER 32 Cb -0.10 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 2rg3 s SER 32 CO 0.03 0.03 0.38 -0.76 1.20 0.00 0.00 173.24 174.11 2rg3 s LEU 33 N 1.17 4.19 0.18 3.45 1.43 0.55 -1.07 118.68 128.58 2rg3 s LEU 33 Ca 0.02 0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.71 2rg3 s LEU 33 Cb -0.14 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 2rg3 s LEU 33 CO -0.03 -0.02 -0.08 -1.10 0.23 0.00 0.00 176.35 175.35 2rg3 s GLN 34 N 1.00 1.19 0.35 1.70 -0.21 -0.13 -1.37 119.66 122.20 2rg3 s GLN 34 Ca 0.19 -1.55 0.03 0.00 0.02 0.00 0.00 55.36 54.06 2rg3 s GLN 34 Cb -0.14 -0.70 -0.04 0.00 1.00 0.00 0.00 33.01 33.12 2rg3 s GLN 34 CO 0.07 0.04 0.10 -0.51 -2.12 0.00 0.00 175.29 172.87 2rg3 s LEU 35 N -3.24 2.00 0.21 2.90 1.43 -0.45 -0.66 118.68 120.88 2rg3 s LEU 35 Ca 0.21 -1.51 -0.06 0.00 -1.03 0.00 0.00 54.13 51.74 2rg3 s LEU 35 Cb 0.03 -0.19 0.35 0.00 0.03 0.00 0.00 46.19 46.42 2rg3 s LEU 35 CO 0.04 -0.77 1.18 0.54 0.23 0.00 0.00 176.35 177.57 2rg3 n ARG 36 N -0.75 -0.07 0.23 1.70 1.74 -1.26 0.11 116.66 118.36 2rg3 n ARG 36 Ca -0.03 1.18 0.09 0.00 -0.77 0.00 0.00 57.85 58.32 2rg3 n ARG 36 Cb 0.66 -1.77 0.55 0.00 -1.02 0.00 0.00 32.46 30.87 2rg3 n ARG 36 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2rg3 h GLY 38 N 0.00 0.00 0.00 -0.13 0.00 -2.00 -3.49 103.07 97.45 2rg3 h GLY 38 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2rg3 h GLY 38 CO -0.78 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.37 2rg3 n GLY 39 N -0.43 0.81 3.67 4.60 0.00 0.31 -5.09 105.19 109.07 2rg3 n GLY 39 Ca -0.01 -2.00 -0.45 0.00 0.00 0.00 0.00 46.02 43.56 2rg3 n GLY 39 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2rg3 n HIS 40 N 5.90 2.19 0.00 1.61 -0.00 -1.26 -1.34 115.22 122.32 2rg3 n HIS 40 Ca 0.00 0.41 0.00 0.00 0.46 0.00 0.00 57.72 58.59 2rg3 n HIS 40 Cb 0.00 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 27.40 2rg3 n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 2rg3 n PHE 41 N 2.08 0.00 -3.47 1.57 -1.74 -0.47 -4.92 117.46 110.51 2rg3 n PHE 41 Ca 0.12 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.91 2rg3 n PHE 41 Cb 0.31 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.29 2rg3 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2rg3 s GLY 43 N -2.53 1.88 0.25 0.00 0.00 -1.26 -0.33 107.32 105.33 2rg3 s GLY 43 Ca 0.02 -1.87 -0.21 0.00 0.00 0.00 0.00 44.72 42.65 2rg3 s GLY 43 CO -0.10 -1.60 0.83 0.00 0.00 0.00 0.00 173.10 172.23 2rg3 s ALA 44 N -2.50 -1.30 -0.05 3.20 0.00 -0.42 -3.94 121.76 116.75 2rg3 s ALA 44 Ca 0.57 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.29 2rg3 s ALA 44 Cb -0.08 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.81 2rg3 s ALA 44 CO 0.35 -1.03 -0.10 0.99 0.00 0.00 0.00 175.76 175.96 2rg3 s THR 45 N -3.31 0.93 -0.29 0.00 2.01 0.49 -0.92 115.64 114.54 2rg3 s THR 45 Ca 0.13 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.45 2rg3 s THR 45 Cb -0.04 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 71.62 2rg3 s THR 45 CO 0.06 0.30 1.09 -0.22 -0.69 0.00 0.00 174.62 175.17 2rg3 s LEU 46 N 0.56 3.97 0.00 4.42 2.96 -0.32 0.04 118.68 130.32 2rg3 s LEU 46 Ca -0.11 1.15 0.10 0.00 -0.22 0.00 0.00 54.13 55.06 2rg3 s LEU 46 Cb -0.14 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.08 2rg3 s LEU 46 CO 0.02 -0.85 0.79 2.30 -1.32 0.00 0.00 176.35 177.30 2rg3 n ILE 47 N 5.77 0.00 -3.57 6.68 -5.35 -0.54 -1.16 119.36 121.18 2rg3 n ILE 47 Ca 0.12 -0.49 -0.06 0.00 -0.27 0.00 0.00 62.75 62.06 2rg3 n ILE 47 Cb 0.47 1.20 -0.02 0.00 -1.74 0.00 0.00 39.64 39.54 2rg3 n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2rg3 s ALA 48 N -0.90 -2.00 0.42 -1.28 0.00 -1.12 -4.76 121.76 112.13 2rg3 s ALA 48 Ca 0.11 1.47 0.19 0.00 0.00 0.00 0.00 51.96 53.73 2rg3 s ALA 48 Cb 0.08 -0.13 1.13 0.00 0.00 0.00 0.00 23.12 24.21 2rg3 s ALA 48 CO 0.14 -0.57 1.83 -1.35 0.00 0.00 0.00 175.76 175.81 2rg3 h PRO 49 N 2.06 0.35 -0.14 0.00 0.11 -1.95 -2.37 132.00 130.06 2rg3 h PRO 49 Ca -0.13 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 2rg3 h PRO 49 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2rg3 h PRO 49 CO 0.26 0.23 -0.05 0.27 -0.21 0.00 0.00 178.00 178.50 2rg3 n ASN 50 N -4.51 2.91 -3.76 -2.05 6.94 -1.26 -0.66 115.26 112.86 2rg3 n ASN 50 Ca 0.21 -3.21 -0.14 0.00 -0.02 0.00 0.00 54.58 51.42 2rg3 n ASN 50 Cb 0.78 -0.51 -0.15 0.00 -2.36 0.00 0.00 39.78 37.55 2rg3 n ASN 50 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2rg3 s PHE 51 N -2.94 -0.08 0.21 -2.53 0.08 -0.89 -0.88 117.98 110.95 2rg3 s PHE 51 Ca 0.38 0.32 0.11 0.00 0.12 0.00 0.00 56.93 57.86 2rg3 s PHE 51 Cb 0.33 -0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.59 2rg3 s PHE 51 CO 0.04 -0.13 -0.21 0.14 -0.10 0.00 0.00 175.22 174.96 2rg3 s VAL 52 N 1.05 2.48 -0.08 -0.44 -7.23 -0.62 -1.47 120.40 114.09 2rg3 s VAL 52 Ca -0.08 -2.06 0.05 0.00 -1.81 0.00 0.00 61.98 58.08 2rg3 s VAL 52 Cb -0.11 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2rg3 s VAL 52 CO -0.04 -0.17 -0.23 -0.32 -0.31 0.00 0.00 175.10 174.03 2rg3 s MET 53 N -2.85 2.77 0.00 4.82 1.75 0.11 -0.78 119.30 125.12 2rg3 s MET 53 Ca 0.23 -0.86 0.00 0.00 -1.25 0.00 0.00 55.69 53.80 2rg3 s MET 53 Cb -0.07 -2.26 0.00 0.00 2.84 0.00 0.00 34.83 35.34 2rg3 s MET 53 CO 0.11 0.32 0.00 0.45 -0.65 0.00 0.00 175.02 175.26 2rg3 n SER 54 N 3.13 0.00 -4.80 1.11 2.88 -0.32 -0.38 113.62 115.23 2rg3 n SER 54 Ca -0.18 -0.94 -0.38 0.00 -1.33 0.00 0.00 58.87 56.04 2rg3 n SER 54 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 2rg3 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rg3 s ALA 55 N -1.66 3.61 0.42 -1.46 0.00 -1.26 -1.16 121.76 120.25 2rg3 s ALA 55 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 51.96 51.93 2rg3 s ALA 55 Cb 0.00 -2.52 0.96 0.00 0.00 0.00 0.00 23.12 21.55 2rg3 s ALA 55 CO 0.00 0.32 2.01 0.00 0.00 0.00 0.00 175.76 178.10 2rg3 h ALA 56 N 5.23 1.89 -0.75 0.00 0.00 -1.72 -1.35 119.26 122.55 2rg3 h ALA 56 Ca -0.48 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.52 2rg3 h ALA 56 Cb 1.21 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2rg3 h ALA 56 CO 0.66 0.03 0.49 1.25 0.00 0.00 0.00 179.25 181.68 2rg3 h HIS 57 N 0.47 0.67 -0.13 0.00 -0.00 -1.93 -2.13 115.15 112.10 2rg3 h HIS 57 Ca 0.23 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.62 2rg3 h HIS 57 Cb 0.29 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 2rg3 h HIS 57 CO -0.00 0.31 0.09 0.00 -0.00 0.00 0.00 177.93 178.32 2rg3 n VAL 59 N -4.52 1.41 -0.07 0.00 0.24 -0.85 -4.69 118.33 109.85 2rg3 n VAL 59 Ca -0.01 -1.38 -0.11 0.00 -2.04 0.00 0.00 64.34 60.80 2rg3 n VAL 59 Cb 0.11 0.23 -0.04 0.00 -1.47 0.00 0.00 33.84 32.66 2rg3 n VAL 59 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rg3 h ALA 60 N 1.12 0.29 -1.19 2.33 0.00 -1.14 -3.32 119.26 117.36 2rg3 h ALA 60 Ca 0.00 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 54.19 2rg3 h ALA 60 Cb 0.86 -0.08 -0.42 0.00 0.00 0.00 0.00 17.79 18.15 2rg3 h ALA 60 CO 0.05 -0.05 -0.80 0.09 0.00 0.00 0.00 179.25 178.54 2rg3 n ASN 61 N -4.74 4.51 -4.10 0.00 3.02 -1.26 -5.04 115.26 107.65 2rg3 n ASN 61 Ca -0.04 -3.62 -0.13 0.00 -0.03 0.00 0.00 54.58 50.76 2rg3 n ASN 61 Cb 0.18 -0.42 -0.11 0.00 -0.61 0.00 0.00 39.78 38.82 2rg3 n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2rg3 s VAL 62 N -5.03 0.64 -0.79 2.41 1.01 -1.25 -5.08 120.40 112.31 2rg3 s VAL 62 Ca 0.47 -1.27 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 2rg3 s VAL 62 Cb 0.40 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2rg3 s VAL 62 CO -0.09 -0.45 1.42 0.21 0.00 0.00 0.00 175.10 176.18 2rg3 s ASN 63 N -1.87 6.07 0.50 3.32 2.47 -1.26 -4.85 114.94 119.32 2rg3 s ASN 63 Ca -0.05 -0.56 0.28 0.00 0.42 0.00 0.00 52.86 52.95 2rg3 s ASN 63 Cb -0.07 -2.56 1.37 0.00 -1.45 0.00 0.00 41.25 38.54 2rg3 s ASN 63 CO -0.00 -1.88 1.87 -0.37 -3.72 0.00 0.00 177.10 173.00 2rg3 h VAL 63 N 6.34 0.57 0.00 -5.21 -1.51 -1.97 0.27 116.25 114.75 2rg3 h VAL 63 Ca -0.17 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 2rg3 h VAL 63 Cb 1.05 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 2rg3 h VAL 63 CO 1.30 0.02 0.00 0.54 -1.23 0.00 0.00 177.57 178.20 2rg3 n ARG 63 N -4.35 0.08 -0.00 5.19 5.12 -1.26 -2.44 116.66 119.00 2rg3 n ARG 63 Ca 0.19 0.28 0.09 0.00 -1.93 0.00 0.00 57.85 56.48 2rg3 n ARG 63 Cb 0.90 -1.64 -0.11 0.00 -1.16 0.00 0.00 32.46 30.46 2rg3 n ARG 63 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2rg3 n ALA 63 N -1.61 4.34 -2.23 7.54 0.00 0.95 -4.91 120.51 124.58 2rg3 n ALA 63 Ca 0.04 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 2rg3 n ALA 63 Cb 0.22 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 2rg3 n ALA 63 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2rg3 s VAL 64 N -2.78 3.58 -0.18 0.00 1.01 -1.02 -4.67 120.40 116.33 2rg3 s VAL 64 Ca 0.06 1.16 -0.04 0.00 0.00 0.00 0.00 61.98 63.17 2rg3 s VAL 64 Cb 0.14 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2rg3 s VAL 64 CO 0.76 0.11 -0.02 -0.13 0.00 0.00 0.00 175.10 175.82 2rg3 s ARG 65 N 0.84 3.62 -0.43 2.72 1.81 0.16 -4.00 118.95 123.67 2rg3 s ARG 65 Ca 0.61 -0.53 -0.18 0.00 -1.72 0.00 0.00 55.73 53.91 2rg3 s ARG 65 Cb -0.34 -2.98 0.02 0.00 -0.45 0.00 0.00 34.95 31.20 2rg3 s ARG 65 CO 0.31 0.12 0.47 0.08 -0.68 0.00 0.00 175.30 175.59 2rg3 s VAL 66 N 0.70 5.05 -0.33 3.52 1.01 0.11 -0.96 120.40 129.51 2rg3 s VAL 66 Ca -0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 2rg3 s VAL 66 Cb -0.14 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2rg3 s VAL 66 CO 0.02 -0.46 0.21 -0.69 0.00 0.00 0.00 175.10 174.18 2rg3 s VAL 67 N 2.22 5.05 0.21 2.92 1.01 -0.23 -0.79 120.40 130.78 2rg3 s VAL 67 Ca 0.13 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2rg3 s VAL 67 Cb -0.17 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2rg3 s VAL 67 CO 0.14 0.03 0.18 -0.76 0.00 0.00 0.00 175.10 174.70 2rg3 s LEU 68 N 1.69 3.86 -1.31 3.92 1.43 0.56 -1.71 118.68 127.11 2rg3 s LEU 68 Ca 0.06 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2rg3 s LEU 68 Cb -0.17 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2rg3 s LEU 68 CO 0.09 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2rg3 n GLY 69 N -0.80 0.78 3.94 -3.19 0.00 -1.25 -1.27 105.19 103.39 2rg3 n GLY 69 Ca -0.08 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 2rg3 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rg3 s ALA 70 N -2.57 3.69 0.26 4.61 0.00 -1.26 -3.89 121.76 122.61 2rg3 s ALA 70 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2rg3 s ALA 70 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2rg3 s ALA 70 CO 0.00 -0.00 0.00 1.58 0.00 0.00 0.00 175.76 177.34 2rg3 n HIS 71 N -1.72 -2.30 -3.69 0.00 -0.00 -1.26 -4.76 115.22 101.48 2rg3 n HIS 71 Ca -0.05 0.41 -0.38 0.00 0.46 0.00 0.00 57.72 58.16 2rg3 n HIS 71 Cb 0.56 0.58 -0.11 0.00 -0.12 0.00 0.00 29.99 30.91 2rg3 n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 2rg3 s ASN 72 N -5.00 5.44 0.35 0.26 3.84 -1.26 -1.26 114.94 117.31 2rg3 s ASN 72 Ca 0.00 -1.62 0.26 0.00 0.21 0.00 0.00 52.86 51.72 2rg3 s ASN 72 Cb 0.00 -1.91 1.20 0.00 -0.55 0.00 0.00 41.25 39.98 2rg3 s ASN 72 CO 0.00 -0.51 1.79 -0.07 -2.79 0.00 0.00 177.10 175.53 2rg3 h LEU 73 N 8.26 0.00 0.00 3.21 3.38 -0.71 -2.75 115.31 126.70 2rg3 h LEU 73 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2rg3 h LEU 73 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2rg3 h LEU 73 CO 0.72 0.00 -0.16 -1.54 0.09 0.00 0.00 178.44 177.55 2rg3 n SER 74 N -2.45 0.75 -4.72 -0.43 3.41 -1.26 -4.87 113.62 104.05 2rg3 n SER 74 Ca 0.01 0.45 -0.23 0.00 -0.26 0.00 0.00 58.87 58.84 2rg3 n SER 74 Cb 0.19 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 2rg3 n SER 74 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2rg3 s ARG 75 N -3.11 2.39 -0.23 4.33 0.52 -1.04 -5.09 118.95 116.72 2rg3 s ARG 75 Ca 0.10 -1.48 -0.24 0.00 -0.52 0.00 0.00 55.73 53.59 2rg3 s ARG 75 Cb 0.13 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.39 2rg3 s ARG 75 CO 0.62 0.19 0.79 0.50 0.02 0.00 0.00 175.30 177.42 2rg3 s ARG 76 N -3.81 4.19 -0.20 3.54 3.00 -1.26 -4.93 118.95 119.48 2rg3 s ARG 76 Ca 0.36 0.88 0.01 0.00 -1.00 0.00 0.00 55.73 55.98 2rg3 s ARG 76 Cb -0.04 -3.63 0.02 0.00 0.00 0.00 0.00 34.95 31.30 2rg3 s ARG 76 CO 0.22 -0.46 -0.17 -1.21 0.00 0.00 0.00 175.30 173.68 2rg3 s GLU 77 N 2.66 2.92 0.30 5.12 2.02 -1.26 -4.99 118.70 125.46 2rg3 s GLU 77 Ca 0.34 -0.89 0.24 0.00 0.02 0.00 0.00 54.97 54.68 2rg3 s GLU 77 Cb -0.15 -2.67 1.08 0.00 0.10 0.00 0.00 34.13 32.48 2rg3 s GLU 77 CO 0.08 -0.27 1.73 -1.00 0.02 0.00 0.00 175.26 175.83 2rg3 h PRO 78 N 7.94 0.00 0.00 0.39 0.13 -1.96 -2.37 132.00 136.14 2rg3 h PRO 78 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2rg3 h PRO 78 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2rg3 h PRO 78 CO 0.61 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.63 2rg3 n THR 79 N -2.31 0.44 -2.52 1.56 -2.24 -1.26 -4.86 114.28 103.09 2rg3 n THR 79 Ca 0.01 0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.50 2rg3 n THR 79 Cb 0.19 -0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 2rg3 n THR 79 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2rg3 s ARG 80 N -3.04 3.78 -0.07 -0.78 0.52 -0.89 -4.50 118.95 113.97 2rg3 s ARG 80 Ca 0.11 1.39 -0.01 0.00 -0.52 0.00 0.00 55.73 56.70 2rg3 s ARG 80 Cb 0.14 -2.11 0.03 0.00 0.52 0.00 0.00 34.95 33.53 2rg3 s ARG 80 CO 0.45 -0.45 -0.02 -0.65 0.02 0.00 0.00 175.30 174.66 2rg3 s GLN 81 N -3.20 0.75 -0.12 3.54 -0.21 -0.40 -4.97 119.66 115.05 2rg3 s GLN 81 Ca 0.67 0.03 0.00 0.00 0.02 0.00 0.00 55.36 56.08 2rg3 s GLN 81 Cb -0.17 -1.00 -0.02 0.00 1.00 0.00 0.00 33.01 32.82 2rg3 s GLN 81 CO 0.21 -0.25 -0.13 0.08 -2.12 0.00 0.00 175.29 173.08 2rg3 s VAL 82 N 1.71 3.12 0.26 1.09 1.01 -1.26 -0.32 120.40 126.01 2rg3 s VAL 82 Ca 0.01 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2rg3 s VAL 82 Cb -0.13 -2.30 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 2rg3 s VAL 82 CO -0.04 0.54 -0.02 -0.36 0.00 0.00 0.00 175.10 175.21 2rg3 s PHE 83 N 0.14 1.76 0.32 5.22 0.40 0.03 -4.95 117.98 120.91 2rg3 s PHE 83 Ca -0.06 -0.82 0.08 0.00 -0.60 0.00 0.00 56.93 55.52 2rg3 s PHE 83 Cb -0.15 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 2rg3 s PHE 83 CO 0.05 0.11 0.22 0.00 0.70 0.00 0.00 175.22 176.29 2rg3 s ALA 84 N -3.23 3.67 -0.19 5.36 0.00 -1.26 0.09 121.76 126.20 2rg3 s ALA 84 Ca 0.29 -1.66 -0.18 0.00 0.00 0.00 0.00 51.96 50.41 2rg3 s ALA 84 Cb 0.05 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 2rg3 s ALA 84 CO 0.11 0.07 0.51 0.08 0.00 0.00 0.00 175.76 176.52 2rg3 s VAL 85 N -2.31 5.12 -0.20 0.00 1.01 -1.26 -1.33 120.40 121.43 2rg3 s VAL 85 Ca 0.38 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 2rg3 s VAL 85 Cb -0.05 -3.84 -0.21 0.00 0.00 0.00 0.00 36.38 32.29 2rg3 s VAL 85 CO 0.25 0.20 0.06 1.67 0.00 0.00 0.00 175.10 177.27 2rg3 n GLN 86 N 4.62 0.68 -3.88 2.72 7.27 0.19 -4.80 117.38 124.18 2rg3 n GLN 86 Ca -0.05 0.26 -0.10 0.00 0.07 0.00 0.00 57.00 57.18 2rg3 n GLN 86 Cb 0.51 -1.62 -0.09 0.00 2.41 0.00 0.00 30.24 31.45 2rg3 n GLN 86 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2rg3 s ARG 87 N -2.52 0.67 -0.05 3.69 3.52 -1.12 -4.99 118.95 118.15 2rg3 s ARG 87 Ca -0.29 -0.72 0.06 0.00 -0.13 0.00 0.00 55.73 54.64 2rg3 s ARG 87 Cb 0.08 0.27 -0.01 0.00 -1.56 0.00 0.00 34.95 33.73 2rg3 s ARG 87 CO 0.66 -0.18 -0.23 0.42 -0.81 0.00 0.00 175.30 175.15 2rg3 s ILE 88 N -2.73 1.88 -0.19 4.11 -1.09 -1.26 -0.60 121.20 121.32 2rg3 s ILE 88 Ca -0.04 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 2rg3 s ILE 88 Cb -0.00 -1.59 0.02 0.00 -1.58 0.00 0.00 42.46 39.30 2rg3 s ILE 88 CO -0.05 0.53 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.65 2rg3 s PHE 89 N -0.15 2.80 0.29 3.97 0.40 0.14 -4.99 117.98 120.44 2rg3 s PHE 89 Ca -0.02 -1.55 0.07 0.00 -0.60 0.00 0.00 56.93 54.83 2rg3 s PHE 89 Cb -0.13 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 2rg3 s PHE 89 CO 0.03 -0.77 0.26 -1.21 0.70 0.00 0.00 175.22 174.23 2rg3 s GLU 90 N 1.31 2.86 -0.32 0.44 2.02 -1.26 -1.64 118.70 122.11 2rg3 s GLU 90 Ca 0.05 -1.15 0.18 0.00 0.02 0.00 0.00 54.97 54.06 2rg3 s GLU 90 Cb -0.13 -2.55 0.46 0.00 0.10 0.00 0.00 34.13 32.01 2rg3 s GLU 90 CO -0.12 0.24 0.95 -1.71 0.02 0.00 0.00 175.26 174.65 2rg3 n ASN 92 N -1.30 1.51 -1.24 -0.19 4.05 -1.26 -4.99 115.26 111.84 2rg3 n ASN 92 Ca -0.05 -2.73 -0.08 0.00 0.45 0.00 0.00 54.58 52.17 2rg3 n ASN 92 Cb 0.59 -0.53 0.01 0.00 1.23 0.00 0.00 39.78 41.08 2rg3 n ASN 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2rg3 n GLY 93 N -0.07 0.22 3.64 8.20 0.00 -1.26 -4.85 105.19 111.07 2rg3 n GLY 93 Ca 0.10 -0.45 -0.47 0.00 0.00 0.00 0.00 46.02 45.19 2rg3 n GLY 93 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2rg3 n TYR 94 N -3.73 1.95 -3.86 1.61 9.36 -1.24 -4.68 117.16 116.57 2rg3 n TYR 94 Ca -0.05 0.45 -0.34 0.00 3.32 0.00 0.00 57.90 61.28 2rg3 n TYR 94 Cb 0.55 -2.44 -0.13 0.00 -0.63 0.00 0.00 39.34 36.69 2rg3 n TYR 94 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2rg3 s ASP 95 N 0.54 5.03 0.58 2.98 -1.08 -0.11 -4.99 116.67 119.63 2rg3 s ASP 95 Ca 0.77 -2.23 0.35 0.00 -0.52 0.00 0.00 52.55 50.92 2rg3 s ASP 95 Cb -0.76 -1.75 1.77 0.00 -1.46 0.00 0.00 42.92 40.72 2rg3 s ASP 95 CO 0.45 -0.45 2.16 1.55 0.52 0.00 0.00 175.17 179.39 2rg3 h PRO 96 N 7.69 0.00 0.12 4.34 0.13 -1.93 0.24 132.00 142.60 2rg3 h PRO 96 Ca -0.09 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.74 2rg3 h PRO 96 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2rg3 h PRO 96 CO 0.64 0.04 -1.56 -0.24 -0.23 0.00 0.00 178.00 176.66 2rg3 h VAL 97 N 0.00 0.94 -0.01 1.56 3.04 -1.97 -3.36 116.25 116.45 2rg3 h VAL 97 Ca -0.00 -2.40 0.00 0.00 -1.01 0.00 0.00 66.70 63.29 2rg3 h VAL 97 Cb 0.26 2.67 0.00 0.00 -2.01 0.00 0.00 31.29 32.21 2rg3 h VAL 97 CO 0.01 0.74 -0.30 0.59 -1.01 0.00 0.00 177.57 177.60 2rg3 n ASN 98 N -3.82 1.28 -3.46 3.17 3.02 -1.20 -4.97 115.26 109.28 2rg3 n ASN 98 Ca -0.26 -1.06 -0.18 0.00 -0.03 0.00 0.00 54.58 53.05 2rg3 n ASN 98 Cb 0.95 0.21 0.07 0.00 -0.61 0.00 0.00 39.78 40.40 2rg3 n ASN 98 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2rg3 n LEU 99 N -0.48 -4.12 -4.43 3.41 4.77 0.78 -5.02 117.00 111.92 2rg3 n LEU 99 Ca 0.12 -0.69 -0.27 0.00 -0.03 0.00 0.00 56.01 55.14 2rg3 n LEU 99 Cb 0.38 -3.04 -0.12 0.00 -2.33 0.00 0.00 43.42 38.31 2rg3 n LEU 99 CO 0.26 0.34 -0.53 -0.76 -1.33 0.00 0.00 177.39 175.37 2rg3 s LEU 100 N -6.25 2.45 -1.39 2.23 1.43 -0.89 -4.72 118.68 111.54 2rg3 s LEU 100 Ca 0.10 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.33 2rg3 s LEU 100 Cb -0.02 -1.22 0.03 0.00 0.03 0.00 0.00 46.19 45.01 2rg3 s LEU 100 CO 0.75 0.13 0.76 0.59 0.23 0.00 0.00 176.35 178.82 2rg3 n ASN 101 N 0.40 -2.24 -3.74 2.29 3.02 -1.26 -0.93 115.26 112.80 2rg3 n ASN 101 Ca -0.14 -0.82 -0.42 0.00 -0.03 0.00 0.00 54.58 53.17 2rg3 n ASN 101 Cb 0.55 -3.90 -0.00 0.00 -0.61 0.00 0.00 39.78 35.82 2rg3 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2rg3 n ASP 102 N -2.98 4.29 -3.81 6.41 2.03 -1.26 -3.70 116.55 117.54 2rg3 n ASP 102 Ca -0.19 -2.89 -0.12 0.00 0.52 0.00 0.00 54.79 52.11 2rg3 n ASP 102 Cb 0.63 -1.62 -0.10 0.00 -0.72 0.00 0.00 41.12 39.31 2rg3 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2rg3 s ILE 103 N 2.57 0.04 -0.05 5.18 2.07 -1.26 -3.76 121.20 125.98 2rg3 s ILE 103 Ca 0.46 -0.32 -0.17 0.00 -1.41 0.00 0.00 60.65 59.21 2rg3 s ILE 103 Cb 0.13 -0.44 0.03 0.00 0.13 0.00 0.00 42.46 42.32 2rg3 s ILE 103 CO -0.07 -0.18 0.39 0.54 -1.91 0.00 0.00 174.94 173.71 2rg3 s VAL 104 N -0.68 0.03 -0.14 4.00 0.11 -0.31 -4.16 120.40 119.25 2rg3 s VAL 104 Ca -0.08 -0.29 -0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2rg3 s VAL 104 Cb -0.04 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 2rg3 s VAL 104 CO 0.02 -0.16 -0.12 -0.63 -3.33 0.00 0.00 175.10 170.88 2rg3 s ILE 105 N -0.93 3.03 -0.23 7.04 1.01 -0.65 -1.18 121.20 129.29 2rg3 s ILE 105 Ca -0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 2rg3 s ILE 105 Cb -0.04 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 2rg3 s ILE 105 CO 0.04 0.51 0.01 -0.76 0.00 0.00 0.00 174.94 174.75 2rg3 s LEU 106 N 0.52 3.15 -0.01 2.97 1.43 0.04 -0.68 118.68 126.10 2rg3 s LEU 106 Ca -0.08 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.47 2rg3 s LEU 106 Cb -0.16 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 2rg3 s LEU 106 CO 0.04 -0.03 0.70 -1.58 0.23 0.00 0.00 176.35 175.71 2rg3 s GLN 107 N 1.54 4.43 0.58 1.70 0.74 0.23 -1.60 119.66 127.29 2rg3 s GLN 107 Ca 0.06 0.91 -0.08 0.00 0.05 0.00 0.00 55.36 56.31 2rg3 s GLN 107 Cb -0.15 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.55 2rg3 s GLN 107 CO -0.00 0.20 0.93 -0.51 -0.55 0.00 0.00 175.29 175.36 2rg3 s LEU 108 N 0.30 3.30 0.00 3.68 1.43 -0.06 0.57 118.68 127.89 2rg3 s LEU 108 Ca 0.37 1.02 0.07 0.00 -1.03 0.00 0.00 54.13 54.56 2rg3 s LEU 108 Cb -0.19 -3.94 0.43 0.00 0.03 0.00 0.00 46.19 42.52 2rg3 s LEU 108 CO 0.20 -0.91 1.28 -0.46 0.23 0.00 0.00 176.35 176.68 2rg3 n ASN 109 N -2.60 0.07 -2.24 2.29 6.94 -0.44 -4.47 115.26 114.80 2rg3 n ASN 109 Ca 0.04 -1.78 -0.01 0.00 -0.02 0.00 0.00 54.58 52.81 2rg3 n ASN 109 Cb 0.56 -0.01 0.01 0.00 -2.36 0.00 0.00 39.78 37.98 2rg3 n ASN 109 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2rg3 n GLY 110 N 0.63 0.81 3.39 4.83 0.00 -1.26 -4.99 105.19 108.61 2rg3 n GLY 110 Ca 0.06 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 2rg3 n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rg3 s SER 111 N -2.30 3.79 0.64 1.61 0.01 -1.26 -4.45 113.70 111.74 2rg3 s SER 111 Ca 0.13 -0.31 -0.17 0.00 1.31 0.00 0.00 55.95 56.91 2rg3 s SER 111 Cb -0.01 -1.10 -0.01 0.00 0.21 0.00 0.00 66.02 65.11 2rg3 s SER 111 CO 0.02 0.26 1.15 0.00 0.41 0.00 0.00 173.24 175.09 2rg3 s ALA 112 N -0.24 2.45 -0.46 1.44 0.00 0.16 -4.96 121.76 120.16 2rg3 s ALA 112 Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 2rg3 s ALA 112 Cb -0.13 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.64 2rg3 s ALA 112 CO 0.03 -1.28 0.61 0.99 0.00 0.00 0.00 175.76 176.11 2rg3 s THR 113 N -2.00 4.87 -0.07 0.00 2.01 -1.26 -4.87 115.64 114.31 2rg3 s THR 113 Ca 0.72 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 2rg3 s THR 113 Cb -0.25 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 2rg3 s THR 113 CO 0.38 -0.64 1.41 -0.63 -0.69 0.00 0.00 174.62 174.45 2rg3 s ILE 114 N 2.69 3.90 0.00 1.82 -1.09 -1.26 -4.73 121.20 122.53 2rg3 s ILE 114 Ca 0.19 1.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 2rg3 s ILE 114 Cb -0.16 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 2rg3 s ILE 114 CO 0.16 -0.06 0.00 -0.46 -1.23 0.00 0.00 174.94 173.35 2rg3 n ASN 115 N 6.28 0.00 0.23 3.58 2.04 -0.30 -4.99 115.26 122.11 2rg3 n ASN 115 Ca 0.14 -0.08 0.06 0.00 -0.44 0.00 0.00 54.58 54.26 2rg3 n ASN 115 Cb 0.44 0.00 0.53 0.00 -2.53 0.00 0.00 39.78 38.22 2rg3 n ASN 115 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2rg3 h ALA 116 N 1.52 1.75 -0.00 -2.53 0.00 -2.01 -3.02 119.26 114.97 2rg3 h ALA 116 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2rg3 h ALA 116 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2rg3 h ALA 116 CO 0.00 0.19 -0.87 0.09 0.00 0.00 0.00 179.25 178.66 2rg3 n ASN 117 N -4.36 1.15 -3.71 0.00 5.03 -1.26 -4.81 115.26 107.30 2rg3 n ASN 117 Ca -0.03 -1.07 -0.26 0.00 0.87 0.00 0.00 54.58 54.09 2rg3 n ASN 117 Cb 0.22 0.90 -0.17 0.00 -1.02 0.00 0.00 39.78 39.71 2rg3 n ASN 117 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2rg3 s VAL 118 N -2.82 0.34 0.07 2.41 1.01 -1.14 -3.87 120.40 116.40 2rg3 s VAL 118 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2rg3 s VAL 118 Cb 0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2rg3 s VAL 118 CO 0.78 -0.15 -0.04 -1.10 0.00 0.00 0.00 175.10 174.59 2rg3 s GLN 119 N 1.95 0.68 -0.01 2.72 -0.21 -0.41 -1.15 119.66 123.23 2rg3 s GLN 119 Ca 0.01 -1.22 -0.25 0.00 0.02 0.00 0.00 55.36 53.92 2rg3 s GLN 119 Cb -0.16 0.04 -0.05 0.00 1.00 0.00 0.00 33.01 33.84 2rg3 s GLN 119 CO -0.08 -0.07 0.75 0.08 -2.12 0.00 0.00 175.29 173.86 2rg3 s VAL 120 N -3.62 4.88 0.74 1.09 1.01 -1.26 -3.50 120.40 119.74 2rg3 s VAL 120 Ca 0.07 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.52 2rg3 s VAL 120 Cb 0.06 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.38 2rg3 s VAL 120 CO -0.07 0.30 1.09 0.00 0.00 0.00 0.00 175.10 176.42 2rg3 s ALA 121 N 0.38 2.56 -0.14 5.51 0.00 -0.31 -4.95 121.76 124.80 2rg3 s ALA 121 Ca 0.39 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.11 2rg3 s ALA 121 Cb -0.19 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2rg3 s ALA 121 CO 0.21 -1.41 0.08 -0.65 0.00 0.00 0.00 175.76 173.99 2rg3 s GLN 122 N -5.19 3.56 0.24 0.00 -0.21 -1.26 -4.87 119.66 111.93 2rg3 s GLN 122 Ca 0.59 -0.28 0.07 0.00 0.02 0.00 0.00 55.36 55.77 2rg3 s GLN 122 Cb -0.13 -3.12 -0.04 0.00 1.00 0.00 0.00 33.01 30.72 2rg3 s GLN 122 CO 0.54 0.56 0.15 -0.51 -2.12 0.00 0.00 175.29 173.90 2rg3 s LEU 123 N -0.43 3.69 0.95 2.90 1.43 -1.26 -1.37 118.68 124.59 2rg3 s LEU 123 Ca 0.10 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 2rg3 s LEU 123 Cb -0.12 -2.24 0.18 0.00 0.03 0.00 0.00 46.19 44.04 2rg3 s LEU 123 CO 0.02 -0.01 1.27 -2.16 0.23 0.00 0.00 176.35 175.70 2rg3 s PRO 124 N -3.67 0.79 0.38 1.29 0.04 -1.26 -4.87 135.00 127.69 2rg3 s PRO 124 Ca 0.32 -0.24 -0.24 0.00 0.04 0.00 0.00 61.00 60.88 2rg3 s PRO 124 Cb -0.08 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2rg3 s PRO 124 CO 0.24 -2.34 0.99 0.00 0.04 0.00 0.00 177.00 175.93 2rg3 s ALA 125 N -3.73 3.12 0.17 8.56 0.00 -1.26 -4.92 121.76 123.70 2rg3 s ALA 125 Ca 0.71 0.57 -0.34 0.00 0.00 0.00 0.00 51.96 52.90 2rg3 s ALA 125 Cb -0.06 -3.21 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 2rg3 s ALA 125 CO 0.52 -0.00 1.46 0.94 0.00 0.00 0.00 175.76 178.68 2rg3 n GLN 126 N 0.03 1.86 -0.64 0.00 -0.06 -1.26 -1.85 117.38 115.46 2rg3 n GLN 126 Ca 0.04 0.67 0.00 0.00 -2.00 0.00 0.00 57.00 55.71 2rg3 n GLN 126 Cb 0.51 -2.37 0.00 0.00 -4.06 0.00 0.00 30.24 24.32 2rg3 n GLN 126 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2rg3 n GLY 127 N 2.85 1.71 3.67 1.69 0.00 0.32 -4.99 105.19 110.44 2rg3 n GLY 127 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2rg3 n GLY 127 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rg3 s ARG 128 N -0.00 4.20 0.15 1.61 6.06 -0.77 -4.93 118.95 125.27 2rg3 s ARG 128 Ca 0.00 2.21 0.03 0.00 -2.50 0.00 0.00 55.73 55.47 2rg3 s ARG 128 Cb 0.00 -3.80 -0.04 0.00 0.06 0.00 0.00 34.95 31.18 2rg3 s ARG 128 CO 0.00 -0.77 0.24 1.03 -2.50 0.00 0.00 175.30 173.30 2rg3 s ARG 129 N 3.32 3.29 -0.17 5.12 0.52 -1.26 -4.70 118.95 125.07 2rg3 s ARG 129 Ca 0.72 -0.66 -0.07 0.00 -0.52 0.00 0.00 55.73 55.21 2rg3 s ARG 129 Cb -0.35 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 2rg3 s ARG 129 CO 0.30 0.52 0.05 -0.51 0.02 0.00 0.00 175.30 175.68 2rg3 s LEU 130 N -3.15 3.78 0.70 2.53 1.43 -1.26 -5.10 118.68 117.62 2rg3 s LEU 130 Ca 0.33 0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 2rg3 s LEU 130 Cb -0.11 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2rg3 s LEU 130 CO 0.27 0.21 1.08 -0.83 0.23 0.00 0.00 176.35 177.30 2rg3 s GLY 131 N 0.16 1.64 0.15 -3.19 0.00 -1.26 -4.97 107.32 99.85 2rg3 s GLY 131 Ca 0.04 -0.20 -0.31 0.00 0.00 0.00 0.00 44.72 44.25 2rg3 s GLY 131 CO 0.01 0.15 1.65 0.21 0.00 0.00 0.00 173.10 175.12 2rg3 s ASN 132 N -4.16 6.52 0.00 1.64 3.84 -1.26 -2.47 114.94 119.05 2rg3 s ASN 132 Ca 0.58 2.67 0.00 0.00 0.21 0.00 0.00 52.86 56.32 2rg3 s ASN 132 Cb -0.12 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 2rg3 s ASN 132 CO 0.53 -0.89 0.00 0.61 -2.79 0.00 0.00 177.10 174.56 2rg3 n GLY 133 N 3.92 1.14 3.75 1.21 0.00 -0.34 -5.01 105.19 109.86 2rg3 n GLY 133 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2rg3 n GLY 133 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2rg3 n VAL 134 N -1.07 1.81 -3.60 1.61 0.31 -1.03 -4.66 118.33 111.69 2rg3 n VAL 134 Ca 0.00 -0.45 -0.37 0.00 -0.01 0.00 0.00 64.34 63.51 2rg3 n VAL 134 Cb 0.00 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 30.95 2rg3 n VAL 134 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2rg3 s GLN 135 N -1.76 4.11 0.34 5.55 -1.52 -1.26 -0.47 119.66 124.65 2rg3 s GLN 135 Ca 0.56 -0.14 0.03 0.00 -1.95 0.00 0.00 55.36 53.86 2rg3 s GLN 135 Cb -0.50 -3.53 -0.05 0.00 -0.22 0.00 0.00 33.01 28.72 2rg3 s GLN 135 CO 0.61 0.06 0.09 0.00 -0.25 0.00 0.00 175.29 175.80 2rg3 s LEU 137 N -3.49 1.76 0.28 0.00 2.96 0.21 -1.35 118.68 119.05 2rg3 s LEU 137 Ca 0.32 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2rg3 s LEU 137 Cb 0.06 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 2rg3 s LEU 137 CO 0.15 -0.03 0.45 0.00 -1.32 0.00 0.00 176.35 175.60 2rg3 s ALA 138 N 1.34 3.80 0.18 5.97 0.00 0.48 -1.43 121.76 132.10 2rg3 s ALA 138 Ca 0.02 -1.00 -0.23 0.00 0.00 0.00 0.00 51.96 50.75 2rg3 s ALA 138 Cb -0.13 -1.96 0.06 0.00 0.00 0.00 0.00 23.12 21.09 2rg3 s ALA 138 CO -0.09 0.16 0.65 0.00 0.00 0.00 0.00 175.76 176.48 2rg3 s MET 139 N -3.99 1.36 0.00 0.00 0.23 -1.25 -0.25 119.30 115.40 2rg3 s MET 139 Ca 0.38 -0.57 0.00 0.00 -1.03 0.00 0.00 55.69 54.46 2rg3 s MET 139 Cb -0.10 0.58 0.00 0.00 -1.53 0.00 0.00 34.83 33.78 2rg3 s MET 139 CO 0.32 -0.60 0.00 0.41 -2.03 0.00 0.00 175.02 173.12 2rg3 n GLY 140 N -0.39 1.60 1.35 3.16 0.00 -0.68 -4.62 105.19 105.62 2rg3 n GLY 140 Ca -0.14 -1.13 0.07 0.00 0.00 0.00 0.00 46.02 44.82 2rg3 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2rg3 n TRP 141 N -0.98 1.48 -0.81 1.61 8.01 -1.26 -2.05 117.44 123.45 2rg3 n TRP 141 Ca 0.00 -0.86 -0.21 0.00 -1.31 0.00 0.00 57.50 55.13 2rg3 n TRP 141 Cb 0.00 -0.42 0.18 0.00 -2.01 0.00 0.00 31.31 29.06 2rg3 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2rg3 n GLY 142 N -0.07 -2.79 3.65 6.99 0.00 -1.25 -2.24 105.19 109.48 2rg3 n GLY 142 Ca 0.25 -1.46 -0.44 0.00 0.00 0.00 0.00 46.02 44.37 2rg3 n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rg3 n LEU 143 N 0.00 2.76 -0.02 0.99 4.32 0.50 -2.86 117.00 122.69 2rg3 n LEU 143 Ca 0.10 1.18 0.14 0.00 -0.02 0.00 0.00 56.01 57.41 2rg3 n LEU 143 Cb 0.41 -1.39 0.61 0.00 -1.62 0.00 0.00 43.42 41.43 2rg3 n LEU 143 CO 0.28 -0.83 0.90 0.18 -1.22 0.00 0.00 177.39 176.70 2rg3 n LEU 144 N 1.28 0.15 -3.83 2.23 4.77 0.58 -0.94 117.00 121.25 2rg3 n LEU 144 Ca 0.08 0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 56.29 2rg3 n LEU 144 Cb 0.33 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2rg3 n LEU 144 CO 0.62 0.03 0.66 -0.83 -1.33 0.00 0.00 177.39 176.54 2rg3 s GLY 145 N -2.77 0.08 0.00 -0.72 0.00 -1.26 -4.15 107.32 98.50 2rg3 s GLY 145 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.58 2rg3 s GLY 145 CO 0.52 0.67 0.48 -2.13 0.00 0.00 0.00 173.10 172.64 2rg3 n ARG 146 N -0.56 0.72 0.00 2.90 0.63 -1.26 -3.40 116.66 115.69 2rg3 n ARG 146 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2rg3 n ARG 146 Cb 0.60 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 32.22 2rg3 n ARG 146 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2rg3 n ASN 147 N 0.31 0.00 0.00 6.15 6.94 -1.26 -5.04 115.26 122.35 2rg3 n ASN 147 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2rg3 n ASN 147 Cb 0.24 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 2rg3 n ASN 147 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2rg3 n ARG 148 N 0.00 4.19 0.00 -3.83 1.74 -1.22 -5.04 116.66 112.51 2rg3 n ARG 148 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2rg3 n ARG 148 Cb 0.00 -0.35 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 2rg3 n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rg3 n GLY 150 N 0.00 -0.12 3.77 -0.13 0.00 -1.26 -4.63 105.19 102.81 2rg3 n GLY 150 Ca 0.00 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 2rg3 n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rg3 s ILE 151 N -2.05 2.62 0.46 -0.61 1.01 -1.26 -0.31 121.20 121.07 2rg3 s ILE 151 Ca 0.00 0.57 -0.18 0.00 0.00 0.00 0.00 60.65 61.04 2rg3 s ILE 151 Cb 0.00 -3.34 -0.09 0.00 0.01 0.00 0.00 42.46 39.04 2rg3 s ILE 151 CO 0.00 0.09 0.94 0.00 0.00 0.00 0.00 174.94 175.97 2rg3 s ALA 152 N -1.24 3.10 -0.22 9.38 0.00 -0.95 -4.85 121.76 126.98 2rg3 s ALA 152 Ca 0.56 0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.53 2rg3 s ALA 152 Cb -0.38 -3.07 -0.18 0.00 0.00 0.00 0.00 23.12 19.48 2rg3 s ALA 152 CO 0.50 -0.04 0.14 0.43 0.00 0.00 0.00 175.76 176.79 2rg3 n SER 153 N -1.12 1.88 -4.78 0.00 7.64 -1.26 -4.81 113.62 111.16 2rg3 n SER 153 Ca 0.06 0.41 -0.38 0.00 1.01 0.00 0.00 58.87 59.97 2rg3 n SER 153 Cb 0.54 -0.95 -0.06 0.00 -1.01 0.00 0.00 64.21 62.73 2rg3 n SER 153 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2rg3 s VAL 154 N -2.39 5.11 0.18 0.44 1.01 -1.26 0.03 120.40 123.52 2rg3 s VAL 154 Ca -0.30 0.87 -0.33 0.00 0.00 0.00 0.00 61.98 62.22 2rg3 s VAL 154 Cb 0.07 -3.75 -0.15 0.00 0.00 0.00 0.00 36.38 32.55 2rg3 s VAL 154 CO 0.58 0.46 1.34 -0.11 0.00 0.00 0.00 175.10 177.37 2rg3 n LEU 155 N 2.72 2.31 -4.69 3.92 7.94 -0.39 -4.86 117.00 123.95 2rg3 n LEU 155 Ca -0.11 1.13 -0.29 0.00 -1.11 0.00 0.00 56.01 55.63 2rg3 n LEU 155 Cb 0.52 -1.31 -0.08 0.00 0.53 0.00 0.00 43.42 43.08 2rg3 n LEU 155 CO 0.40 -0.84 -0.32 -1.10 -1.11 0.00 0.00 177.39 174.42 2rg3 s GLN 156 N -0.05 2.54 0.11 1.96 -1.52 -0.87 -0.81 119.66 121.03 2rg3 s GLN 156 Ca 0.74 -0.91 0.04 0.00 -1.95 0.00 0.00 55.36 53.28 2rg3 s GLN 156 Cb -0.78 -2.50 -0.04 0.00 -0.22 0.00 0.00 33.01 29.47 2rg3 s GLN 156 CO 0.48 0.51 -0.10 -1.83 -0.25 0.00 0.00 175.29 174.10 2rg3 s GLU 157 N -2.56 0.93 -0.17 2.91 -1.05 0.51 -1.69 118.70 117.57 2rg3 s GLU 157 Ca 0.27 -1.26 -0.11 0.00 -0.15 0.00 0.00 54.97 53.71 2rg3 s GLU 157 Cb -0.11 -0.58 0.06 0.00 -0.44 0.00 0.00 34.13 33.05 2rg3 s GLU 157 CO 0.19 0.08 0.43 -1.17 0.95 0.00 0.00 175.26 175.74 2rg3 s LEU 158 N -2.69 -0.02 -0.06 1.83 2.96 0.65 -1.04 118.68 120.30 2rg3 s LEU 158 Ca 0.10 0.92 -0.30 0.00 -0.22 0.00 0.00 54.13 54.62 2rg3 s LEU 158 Cb -0.01 1.43 -0.03 0.00 0.50 0.00 0.00 46.19 48.08 2rg3 s LEU 158 CO 0.00 -0.18 1.13 0.20 -1.32 0.00 0.00 176.35 176.18 2rg3 s ASN 159 N 1.11 7.13 0.18 3.68 -0.87 -1.26 -0.39 114.94 124.52 2rg3 s ASN 159 Ca -0.07 1.73 0.03 0.00 -1.57 0.00 0.00 52.86 52.98 2rg3 s ASN 159 Cb -0.07 -2.56 -0.05 0.00 -0.02 0.00 0.00 41.25 38.56 2rg3 s ASN 159 CO -0.10 -0.52 -0.03 0.68 -2.57 0.00 0.00 177.10 174.56 2rg3 s VAL 160 N 2.06 0.95 -0.06 1.60 -7.23 -0.45 -4.84 120.40 112.42 2rg3 s VAL 160 Ca 0.53 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 2rg3 s VAL 160 Cb -0.23 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2rg3 s VAL 160 CO 0.21 -0.51 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.38 2rg3 s THR 161 N -3.47 1.83 0.23 5.32 2.01 -1.01 -1.39 115.64 119.17 2rg3 s THR 161 Ca 0.23 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 2rg3 s THR 161 Cb 0.05 -1.56 -0.09 0.00 0.01 0.00 0.00 72.50 70.90 2rg3 s THR 161 CO 0.04 0.51 1.30 -0.69 -0.69 0.00 0.00 174.62 175.10 2rg3 s VAL 162 N -0.03 3.10 -0.01 3.82 1.01 0.38 -0.41 120.40 128.26 2rg3 s VAL 162 Ca -0.05 0.96 0.02 0.00 0.00 0.00 0.00 61.98 62.91 2rg3 s VAL 162 Cb -0.13 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2rg3 s VAL 162 CO 0.04 0.17 -0.08 0.68 0.00 0.00 0.00 175.10 175.91 2rg3 s VAL 163 N -0.25 0.62 -0.51 2.92 -7.23 -0.46 -1.20 120.40 114.28 2rg3 s VAL 163 Ca 0.54 -0.34 0.21 0.00 -1.81 0.00 0.00 61.98 60.59 2rg3 s VAL 163 Cb -0.37 -0.52 -0.28 0.00 0.56 0.00 0.00 36.38 35.77 2rg3 s VAL 163 CO 0.42 0.17 0.68 0.35 -0.31 0.00 0.00 175.10 176.41 2rg3 n THR 164 N 2.89 0.00 -2.88 5.32 -2.24 -1.26 -4.09 114.28 112.02 2rg3 n THR 164 Ca -0.13 -0.25 -0.37 0.00 -2.27 0.00 0.00 64.05 61.03 2rg3 n THR 164 Cb 0.57 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 2rg3 n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2rg3 s SER 165 N -3.70 7.29 -1.43 3.42 0.15 -1.26 -3.48 113.70 114.68 2rg3 s SER 165 Ca 0.00 1.71 -0.02 0.00 0.70 0.00 0.00 55.95 58.35 2rg3 s SER 165 Cb 0.15 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2rg3 s SER 165 CO 0.87 -0.00 0.25 -0.11 1.20 0.00 0.00 173.24 175.44 2rg3 n LEU 166 N 0.74 -2.15 -3.81 3.45 7.94 -1.26 -4.89 117.00 117.03 2rg3 n LEU 166 Ca -0.00 -0.12 -0.12 0.00 -1.11 0.00 0.00 56.01 54.65 2rg3 n LEU 166 Cb 0.50 -2.60 -0.10 0.00 0.53 0.00 0.00 43.42 41.75 2rg3 n LEU 166 CO 0.44 -0.00 -0.08 0.00 -1.11 0.00 0.00 177.39 176.64 2rg3 s ARG 177 N -0.77 3.36 0.40 0.00 1.70 -1.26 -4.97 118.95 117.41 2rg3 s ARG 177 Ca -0.09 -0.31 0.28 0.00 -0.47 0.00 0.00 55.73 55.14 2rg3 s ARG 177 Cb -0.05 -2.59 1.37 0.00 -0.57 0.00 0.00 34.95 33.11 2rg3 s ARG 177 CO 0.02 -0.02 1.85 0.00 -1.08 0.00 0.00 175.30 176.06 2rg3 h ARG 178 N 0.58 0.00 -0.23 3.89 2.47 -2.02 -2.03 114.38 117.04 2rg3 h ARG 178 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 2rg3 h ARG 178 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 2rg3 h ARG 178 CO 0.60 0.00 0.00 -1.13 0.56 0.00 0.00 179.97 180.00 2rg3 n SER 179 N -2.51 1.53 -4.12 7.04 3.41 -1.26 -4.87 113.62 112.84 2rg3 n SER 179 Ca -0.00 -1.84 -0.08 0.00 -0.26 0.00 0.00 58.87 56.68 2rg3 n SER 179 Cb 0.13 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 63.83 2rg3 n SER 179 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2rg3 s ASN 180 N -1.27 0.72 -0.21 4.04 0.02 -0.76 -4.38 114.94 113.10 2rg3 s ASN 180 Ca 0.26 -1.01 -0.03 0.00 -1.02 0.00 0.00 52.86 51.06 2rg3 s ASN 180 Cb 0.14 0.16 -0.01 0.00 0.02 0.00 0.00 41.25 41.56 2rg3 s ASN 180 CO 0.19 -0.55 -0.07 -0.69 0.02 0.00 0.00 177.10 176.00 2rg3 s VAL 181 N -3.81 3.24 0.19 1.60 1.01 -0.83 -4.73 120.40 117.07 2rg3 s VAL 181 Ca 0.09 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.63 2rg3 s VAL 181 Cb 0.07 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2rg3 s VAL 181 CO -0.08 0.45 -0.15 0.00 0.00 0.00 0.00 175.10 175.32 2rg3 s THR 183 N -1.77 0.72 -0.15 0.00 -4.23 -0.40 -1.35 115.64 108.45 2rg3 s THR 183 Ca 0.24 -1.77 -0.14 0.00 -1.18 0.00 0.00 61.69 58.84 2rg3 s THR 183 Cb -0.08 -1.48 0.04 0.00 1.34 0.00 0.00 72.50 72.32 2rg3 s THR 183 CO 0.14 -0.75 0.41 -0.22 -0.54 0.00 0.00 174.62 173.65 2rg3 s LEU 184 N -2.75 0.42 -0.22 4.79 2.96 0.45 -0.34 118.68 123.99 2rg3 s LEU 184 Ca 0.08 0.83 -0.09 0.00 -0.22 0.00 0.00 54.13 54.73 2rg3 s LEU 184 Cb 0.02 1.42 -0.04 0.00 0.50 0.00 0.00 46.19 48.09 2rg3 s LEU 184 CO -0.03 -0.15 0.11 -0.69 -1.32 0.00 0.00 176.35 174.27 2rg3 s VAL 185 N 0.20 5.01 0.04 1.68 1.01 -1.26 -2.40 120.40 124.68 2rg3 s VAL 185 Ca -0.00 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2rg3 s VAL 185 Cb -0.03 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2rg3 s VAL 185 CO 0.01 0.39 0.12 -0.13 0.00 0.00 0.00 175.10 175.49 2rg3 s ARG 186 N 0.82 3.12 0.00 2.72 0.52 -1.26 -4.46 118.95 120.42 2rg3 s ARG 186 Ca 0.06 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 2rg3 s ARG 186 Cb -0.13 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.46 2rg3 s ARG 186 CO 0.02 0.61 0.00 0.41 0.02 0.00 0.00 175.30 176.36 2rg3 n GLY 186 N 0.64 0.79 3.60 -3.53 0.00 -1.26 -4.99 105.19 100.43 2rg3 n GLY 186 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 2rg3 n GLY 186 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rg3 s ARG 186 N -0.44 0.33 -0.27 1.61 1.70 -1.26 -5.13 118.95 115.49 2rg3 s ARG 186 Ca 0.00 -0.13 -0.21 0.00 -0.47 0.00 0.00 55.73 54.92 2rg3 s ARG 186 Cb 0.00 0.15 -0.01 0.00 -0.57 0.00 0.00 34.95 34.51 2rg3 s ARG 186 CO 0.00 -0.15 0.65 -0.65 -1.08 0.00 0.00 175.30 174.08 2rg3 s GLN 187 N -2.44 4.06 0.00 3.89 -0.21 -1.26 -4.81 119.66 118.89 2rg3 s GLN 187 Ca 0.10 0.52 -0.28 0.00 0.02 0.00 0.00 55.36 55.71 2rg3 s GLN 187 Cb -0.01 -3.67 0.09 0.00 1.00 0.00 0.00 33.01 30.42 2rg3 s GLN 187 CO -0.05 -0.47 0.80 0.00 -2.12 0.00 0.00 175.29 173.45 2rg3 s ALA 188 N 2.58 -1.78 0.00 6.09 0.00 -1.26 -4.66 121.76 122.74 2rg3 s ALA 188 Ca 0.27 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2rg3 s ALA 188 Cb -0.15 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2rg3 s ALA 188 CO 0.09 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2rg3 n GLY 189 N 0.06 -2.10 3.82 0.00 0.00 -0.64 -4.55 105.19 101.79 2rg3 n GLY 189 Ca -0.13 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 2rg3 n GLY 189 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rg3 s VAL 190 N -2.49 2.82 0.21 1.61 -7.23 -1.26 -0.34 120.40 113.72 2rg3 s VAL 190 Ca 0.00 0.27 -0.03 0.00 -1.81 0.00 0.00 61.98 60.41 2rg3 s VAL 190 Cb 0.00 -3.08 0.01 0.00 0.56 0.00 0.00 36.38 33.87 2rg3 s VAL 190 CO 0.00 -0.35 0.33 0.00 -0.31 0.00 0.00 175.10 174.77 2rg3 n PHE 192 N -0.33 2.15 0.00 0.00 3.72 -1.26 -0.91 117.46 120.82 2rg3 n PHE 192 Ca -0.01 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 2rg3 n PHE 192 Cb 0.34 -2.51 0.00 0.00 -0.94 0.00 0.00 39.48 36.37 2rg3 n PHE 192 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rg3 n GLY 193 N 3.32 1.40 3.41 1.37 0.00 -1.26 -0.37 105.19 113.06 2rg3 n GLY 193 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 2rg3 n GLY 193 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rg3 s ASP 194 N -1.66 6.34 0.00 1.61 1.01 -0.09 -3.91 116.67 119.97 2rg3 s ASP 194 Ca 0.00 -1.56 0.00 0.00 0.71 0.00 0.00 52.55 51.70 2rg3 s ASP 194 Cb 0.00 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.58 2rg3 s ASP 194 CO 0.00 -1.16 0.00 0.61 0.21 0.00 0.00 175.17 174.83 2rg3 n GLY 196 N 5.25 0.00 3.80 0.21 0.00 0.07 -4.46 105.19 110.06 2rg3 n GLY 196 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2rg3 n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rg3 s SER 197 N -0.25 6.38 0.54 1.61 0.01 -1.25 -3.10 113.70 117.62 2rg3 s SER 197 Ca 0.00 1.93 -0.18 0.00 1.31 0.00 0.00 55.95 59.01 2rg3 s SER 197 Cb 0.00 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 2rg3 s SER 197 CO 0.00 -0.75 1.05 -2.16 0.41 0.00 0.00 173.24 171.78 2rg3 s PRO 198 N -3.18 3.58 -0.22 12.44 0.04 -1.26 -0.79 135.00 145.60 2rg3 s PRO 198 Ca 0.67 1.29 0.01 0.00 0.04 0.00 0.00 61.00 63.00 2rg3 s PRO 198 Cb -0.17 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.34 2rg3 s PRO 198 CO 0.20 -0.61 -0.14 -1.17 0.04 0.00 0.00 177.00 175.33 2rg3 s LEU 199 N -3.96 2.77 -0.25 -3.56 2.96 -0.34 -3.84 118.68 112.47 2rg3 s LEU 199 Ca 0.66 -0.89 -0.11 0.00 -0.22 0.00 0.00 54.13 53.56 2rg3 s LEU 199 Cb -0.16 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 2rg3 s LEU 199 CO 0.28 -0.08 0.20 -0.69 -1.32 0.00 0.00 176.35 174.74 2rg3 s VAL 200 N 1.26 5.32 -0.07 1.68 1.01 -0.52 -1.46 120.40 127.62 2rg3 s VAL 200 Ca 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 2rg3 s VAL 200 Cb -0.16 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2rg3 s VAL 200 CO -0.08 0.30 -0.03 0.00 0.00 0.00 0.00 175.10 175.29 2rg3 n ASN 202 N 4.82 -5.74 0.00 0.00 3.02 -1.26 -1.85 115.26 114.25 2rg3 n ASN 202 Ca -0.13 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 2rg3 n ASN 202 Cb 0.50 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 2rg3 n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rg3 n GLY 207 N -1.86 0.86 3.44 7.41 0.00 -1.26 -5.01 105.19 108.77 2rg3 n GLY 207 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2rg3 n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rg3 s LEU 208 N 0.00 2.51 -0.75 0.99 1.43 -0.77 -4.60 118.68 117.49 2rg3 s LEU 208 Ca 0.00 -0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 52.14 2rg3 s LEU 208 Cb 0.00 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.92 2rg3 s LEU 208 CO 0.00 0.16 1.23 -0.63 0.23 0.00 0.00 176.35 177.34 2rg3 s ILE 209 N -1.26 3.85 -0.86 -0.59 -1.09 -0.47 -0.62 121.20 120.16 2rg3 s ILE 209 Ca 0.17 0.17 0.23 0.00 -2.23 0.00 0.00 60.65 58.99 2rg3 s ILE 209 Cb -0.10 -4.89 -0.13 0.00 -1.58 0.00 0.00 42.46 35.76 2rg3 s ILE 209 CO 0.09 -1.79 1.07 1.41 -1.23 0.00 0.00 174.94 174.49 2rg3 n HIS 210 N 9.02 0.07 -3.86 3.97 8.25 -0.53 -4.36 115.22 127.78 2rg3 n HIS 210 Ca 0.04 0.02 -0.09 0.00 -0.26 0.00 0.00 57.72 57.42 2rg3 n HIS 210 Cb 0.48 -0.21 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 2rg3 n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2rg3 s GLY 211 N -3.23 0.20 -0.14 -1.41 0.00 -1.14 -2.22 107.32 99.39 2rg3 s GLY 211 Ca 0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 2rg3 s GLY 211 CO 0.80 -0.66 -0.05 -0.42 0.00 0.00 0.00 173.10 172.78 2rg3 s ILE 212 N -3.91 0.95 -0.07 0.90 1.01 -1.01 -1.19 121.20 117.89 2rg3 s ILE 212 Ca 0.11 -0.42 -0.37 0.00 0.00 0.00 0.00 60.65 59.97 2rg3 s ILE 212 Cb 0.03 -1.10 -0.15 0.00 0.01 0.00 0.00 42.46 41.25 2rg3 s ILE 212 CO -0.04 0.20 1.59 0.00 0.00 0.00 0.00 174.94 176.69 2rg3 n ALA 213 N 4.94 -0.21 0.03 9.38 0.00 0.03 -0.26 120.51 134.43 2rg3 n ALA 213 Ca -0.11 0.43 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 2rg3 n ALA 213 Cb 0.49 -2.21 -0.00 0.00 0.00 0.00 0.00 19.45 17.72 2rg3 n ALA 213 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2rg3 n SER 214 N 4.23 1.21 -3.55 0.00 2.88 -0.28 -0.75 113.62 117.36 2rg3 n SER 214 Ca 0.22 0.16 -0.11 0.00 -1.33 0.00 0.00 58.87 57.81 2rg3 n SER 214 Cb 0.19 -0.39 -0.03 0.00 -0.75 0.00 0.00 64.21 63.23 2rg3 n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2rg3 s PHE 215 N -2.12 -0.35 0.36 0.66 -0.71 -0.89 -4.94 117.98 109.99 2rg3 s PHE 215 Ca -0.04 0.08 0.09 0.00 -1.04 0.00 0.00 56.93 56.02 2rg3 s PHE 215 Cb 0.01 0.42 -0.07 0.00 -1.21 0.00 0.00 43.02 42.17 2rg3 s PHE 215 CO 0.06 -0.80 -0.06 0.14 -1.34 0.00 0.00 175.22 173.22 2rg3 s VAL 216 N -3.79 2.13 -0.00 -2.49 -7.23 -1.26 -1.06 120.40 106.70 2rg3 s VAL 216 Ca 0.03 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 2rg3 s VAL 216 Cb 0.00 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 2rg3 s VAL 216 CO -0.11 -0.14 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.35 2rg3 s ARG 217 N -3.65 0.50 -0.81 4.82 0.52 -1.26 -4.77 118.95 114.30 2rg3 s ARG 217 Ca 0.33 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 2rg3 s ARG 217 Cb 0.05 -0.47 0.00 0.00 0.52 0.00 0.00 34.95 35.05 2rg3 s ARG 217 CO 0.17 0.13 0.00 0.41 0.02 0.00 0.00 175.30 176.03 2rg3 n GLY 218 N 2.80 0.47 0.00 -3.53 0.00 -1.26 -4.52 105.19 99.16 2rg3 n GLY 218 Ca -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2rg3 n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rg3 n GLY 219 N -1.42 -1.72 3.77 -0.02 0.00 -1.26 -4.53 105.19 100.00 2rg3 n GLY 219 Ca -0.09 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 2rg3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rg3 n ALA 220 N 0.68 -2.18 0.11 0.00 0.00 -1.26 -4.75 120.51 113.11 2rg3 n ALA 220 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 2rg3 n ALA 220 Cb 0.43 -2.03 0.24 0.00 0.00 0.00 0.00 19.45 18.09 2rg3 n ALA 220 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2rg3 h SER 221 N -1.92 0.18 0.00 0.00 4.64 -1.80 -3.39 113.55 111.27 2rg3 h SER 221 Ca -0.65 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 2rg3 h SER 221 Cb 1.38 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2rg3 h SER 221 CO 0.60 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 177.76 2rg3 n GLY 222 N -0.17 0.69 1.18 -0.77 0.00 -1.26 -4.85 105.19 100.02 2rg3 n GLY 222 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2rg3 n GLY 222 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2rg3 n LEU 223 N 0.00 0.72 -4.71 0.99 7.94 -1.26 -5.04 117.00 115.65 2rg3 n LEU 223 Ca 0.00 0.15 -0.39 0.00 -1.11 0.00 0.00 56.01 54.66 2rg3 n LEU 223 Cb 0.00 -0.18 -0.05 0.00 0.53 0.00 0.00 43.42 43.72 2rg3 n LEU 223 CO 0.00 -0.62 0.28 -0.31 -1.11 0.00 0.00 177.39 175.64 2rg3 s TYR 224 N -2.00 3.52 0.63 1.96 2.02 -1.26 -5.06 117.35 117.16 2rg3 s TYR 224 Ca 0.00 1.04 -0.16 0.00 -0.37 0.00 0.00 57.07 57.58 2rg3 s TYR 224 Cb 0.00 -2.68 -0.02 0.00 -0.40 0.00 0.00 41.96 38.86 2rg3 s TYR 224 CO 0.00 0.10 1.10 -1.25 -1.57 0.00 0.00 175.55 173.93 2rg3 s PRO 225 N 0.84 3.00 0.40 -1.71 0.04 -1.26 -4.75 135.00 131.55 2rg3 s PRO 225 Ca 0.31 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 2rg3 s PRO 225 Cb -0.16 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 2rg3 s PRO 225 CO 0.13 -1.09 1.04 -0.51 0.04 0.00 0.00 177.00 176.62 2rg3 s ASP 226 N -2.52 6.79 -0.09 6.66 1.01 0.54 -4.62 116.67 124.43 2rg3 s ASP 226 Ca 0.67 2.01 0.00 0.00 0.71 0.00 0.00 52.55 55.94 2rg3 s ASP 226 Cb -0.20 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.12 2rg3 s ASP 226 CO 0.38 -0.47 -0.08 0.00 0.21 0.00 0.00 175.17 175.21 2rg3 s ALA 227 N -1.69 2.90 0.11 5.23 0.00 -0.23 -1.28 121.76 126.80 2rg3 s ALA 227 Ca 0.58 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.72 2rg3 s ALA 227 Cb -0.21 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 2rg3 s ALA 227 CO 0.26 0.45 -0.17 -0.06 0.00 0.00 0.00 175.76 176.24 2rg3 s PHE 228 N -0.40 1.56 0.20 0.00 0.40 0.14 -1.13 117.98 118.77 2rg3 s PHE 228 Ca 0.05 -0.46 -0.30 0.00 -0.60 0.00 0.00 56.93 55.62 2rg3 s PHE 228 Cb -0.12 -0.84 -0.09 0.00 0.51 0.00 0.00 43.02 42.48 2rg3 s PHE 228 CO 0.02 0.17 1.30 0.00 0.70 0.00 0.00 175.22 177.42 2rg3 s ALA 229 N -1.51 3.52 -1.03 5.36 0.00 0.65 -1.97 121.76 126.77 2rg3 s ALA 229 Ca 0.06 1.10 -0.23 0.00 0.00 0.00 0.00 51.96 52.90 2rg3 s ALA 229 Cb -0.08 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.60 2rg3 s ALA 229 CO 0.04 -0.53 1.52 -1.25 0.00 0.00 0.00 175.76 175.54 2rg3 s PRO 230 N -0.18 3.52 0.29 0.00 0.04 -1.26 -2.39 135.00 135.03 2rg3 s PRO 230 Ca 0.56 -1.12 0.04 0.00 0.04 0.00 0.00 61.00 60.52 2rg3 s PRO 230 Cb -0.36 -5.35 0.73 0.00 0.04 0.00 0.00 34.50 29.56 2rg3 s PRO 230 CO 0.39 -2.33 1.71 0.28 0.04 0.00 0.00 177.00 177.08 2rg3 h VAL 231 N 6.73 0.51 -0.48 -0.36 2.07 -1.74 -0.99 116.25 121.99 2rg3 h VAL 231 Ca 0.21 -0.15 0.14 0.00 0.82 0.00 0.00 66.70 67.71 2rg3 h VAL 231 Cb 1.00 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2rg3 h VAL 231 CO 1.41 0.08 0.35 0.00 0.02 0.00 0.00 177.57 179.43 2rg3 h ALA 232 N 1.70 2.44 0.00 1.67 0.00 -1.84 0.29 119.26 123.52 2rg3 h ALA 232 Ca 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2rg3 h ALA 232 Cb 1.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2rg3 h ALA 232 CO -0.50 -0.57 0.00 1.96 0.00 0.00 0.00 179.25 180.13 2rg3 h GLN 233 N 0.02 0.00 -0.26 0.00 4.20 -1.48 0.94 115.11 118.52 2rg3 h GLN 233 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2rg3 h GLN 233 Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2rg3 h GLN 233 CO -0.01 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.34 2rg3 n PHE 234 N -2.41 0.52 -0.18 2.96 3.72 0.08 -4.76 117.46 117.38 2rg3 n PHE 234 Ca 0.03 -0.63 -0.07 0.00 -0.05 0.00 0.00 57.45 56.73 2rg3 n PHE 234 Cb 0.33 -0.12 0.02 0.00 -0.94 0.00 0.00 39.48 38.78 2rg3 n PHE 234 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2rg3 h VAL 235 N 1.61 1.16 -0.63 -4.37 2.07 -1.53 -0.28 116.25 114.28 2rg3 h VAL 235 Ca 0.00 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2rg3 h VAL 235 Cb 0.92 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2rg3 h VAL 235 CO 0.06 0.16 0.28 0.78 0.02 0.00 0.00 177.57 178.87 2rg3 h ASN 236 N 0.71 0.82 -0.00 0.57 2.35 -1.86 0.33 115.58 118.49 2rg3 h ASN 236 Ca 0.19 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2rg3 h ASN 236 Cb -0.02 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 2rg3 h ASN 236 CO -0.04 0.72 0.00 -0.25 -1.65 0.00 0.00 177.43 176.21 2rg3 h TRP 237 N 0.90 0.00 -0.22 1.19 7.01 -1.81 -1.95 115.95 121.07 2rg3 h TRP 237 Ca 0.22 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.26 2rg3 h TRP 237 Cb 0.13 -0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.15 2rg3 h TRP 237 CO 0.01 0.26 -0.05 0.82 -2.79 0.00 0.00 178.44 176.69 2rg3 h ILE 238 N -0.25 0.79 -0.41 2.65 2.04 -0.71 -2.36 117.51 119.25 2rg3 h ILE 238 Ca 0.00 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2rg3 h ILE 238 Cb 0.26 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2rg3 h ILE 238 CO 0.00 0.00 0.25 0.44 0.00 0.00 0.00 178.15 178.84 2rg3 h ASP 239 N 0.01 0.48 0.61 1.72 3.32 -0.88 -1.29 116.42 120.39 2rg3 h ASP 239 Ca 0.11 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2rg3 h ASP 239 Cb 0.16 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2rg3 h ASP 239 CO -0.22 0.37 -0.08 0.77 -1.72 0.00 0.00 179.24 178.37 2rg3 h SER 240 N 0.56 0.00 0.04 6.45 4.64 -0.81 -0.94 113.55 123.50 2rg3 h SER 240 Ca 0.15 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.11 2rg3 h SER 240 Cb -0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.02 2rg3 h SER 240 CO -0.03 0.08 -2.07 -0.38 -0.87 0.00 0.00 176.83 173.56 2rg3 n ILE 241 N -3.32 1.61 1.45 0.95 5.41 -0.58 -4.39 119.36 120.48 2rg3 n ILE 241 Ca -0.01 -0.45 0.14 0.00 1.00 0.00 0.00 62.75 63.43 2rg3 n ILE 241 Cb 0.26 -1.75 0.51 0.00 -0.71 0.00 0.00 39.64 37.95 2rg3 n ILE 241 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2rg3 n ILE 242 N -3.78 0.00 -0.91 1.39 -5.35 -0.64 -5.14 119.36 104.94 2rg3 n ILE 242 Ca -0.40 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 2rg3 n ILE 242 Cb 0.92 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 2rg3 n ILE 242 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79