#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3b s GLU -6 N 0.00 3.37 0.72 -1.40 2.02 -1.26 -5.05 118.70 117.10 2r3b s GLU -6 Ca 0.00 0.48 -0.15 0.00 0.02 0.00 0.00 54.97 55.32 2r3b s GLU -6 Cb 0.00 -2.16 0.04 0.00 0.10 0.00 0.00 34.13 32.11 2r3b s GLU -6 CO 0.00 -0.59 1.18 -0.80 0.02 0.00 0.00 175.26 175.07 2r3b s ASN -5 N -4.21 4.35 -0.16 -0.19 0.01 -1.26 -5.05 114.94 108.43 2r3b s ASN -5 Ca 0.54 2.26 -0.03 0.00 -0.71 0.00 0.00 52.86 54.92 2r3b s ASN -5 Cb -0.11 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 2r3b s ASN -5 CO 0.50 -2.15 -0.06 -1.48 -1.51 0.00 0.00 177.10 172.40 2r3b s LEU -4 N -5.16 3.05 -0.01 0.60 2.34 -1.26 -5.13 118.68 113.11 2r3b s LEU -4 Ca 0.72 -0.23 0.07 0.00 0.06 0.00 0.00 54.13 54.75 2r3b s LEU -4 Cb -0.27 -1.73 -0.02 0.00 -0.56 0.00 0.00 46.19 43.61 2r3b s LEU -4 CO 0.45 0.13 -0.23 -0.31 -1.06 0.00 0.00 176.35 175.32 2r3b s TYR -3 N 0.60 2.42 0.19 3.48 2.02 -1.26 -5.11 117.35 119.69 2r3b s TYR -3 Ca -0.04 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 2r3b s TYR -3 Cb -0.15 -1.50 -0.08 0.00 -0.40 0.00 0.00 41.96 39.83 2r3b s TYR -3 CO 0.03 0.05 1.08 -0.06 -1.57 0.00 0.00 175.55 175.08 2r3b s PHE -2 N -0.69 3.63 0.63 2.71 0.08 -1.26 -5.02 117.98 118.06 2r3b s PHE -2 Ca 0.11 1.65 -0.16 0.00 0.12 0.00 0.00 56.93 58.65 2r3b s PHE -2 Cb -0.10 -3.24 -0.02 0.00 -0.57 0.00 0.00 43.02 39.09 2r3b s PHE -2 CO 0.00 -0.47 1.10 -1.14 -0.10 0.00 0.00 175.22 174.62 2r3b s GLN -1 N -0.55 2.98 -0.37 0.44 0.74 -1.26 -4.88 119.66 116.76 2r3b s GLN -1 Ca 0.48 1.39 -0.02 0.00 0.05 0.00 0.00 55.36 57.26 2r3b s GLN -1 Cb -0.29 -1.97 -0.02 0.00 1.10 0.00 0.00 33.01 31.83 2r3b s GLN -1 CO 0.35 -1.11 0.33 0.41 -0.55 0.00 0.00 175.29 174.72 2r3b n GLY 0 N -0.50 -0.13 2.82 2.59 0.00 -1.26 -5.11 105.19 103.61 2r3b n GLY 0 Ca 0.10 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 2r3b n GLY 0 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r3b s ARG 2 N -3.37 0.08 -0.14 1.61 0.52 0.05 -4.05 118.95 113.66 2r3b s ARG 2 Ca 0.12 0.45 -0.24 0.00 -0.52 0.00 0.00 55.73 55.55 2r3b s ARG 2 Cb -0.02 -0.58 -0.02 0.00 0.52 0.00 0.00 34.95 34.85 2r3b s ARG 2 CO 0.29 -0.41 0.75 0.71 0.02 0.00 0.00 175.30 176.65 2r3b s TYR 3 N 2.30 3.47 0.33 -0.53 1.51 -1.26 -0.47 117.35 122.70 2r3b s TYR 3 Ca 0.04 1.19 -0.26 0.00 -1.01 0.00 0.00 57.07 57.03 2r3b s TYR 3 Cb -0.13 -2.90 -0.10 0.00 -0.11 0.00 0.00 41.96 38.72 2r3b s TYR 3 CO -0.08 -0.11 0.95 -0.51 -1.11 0.00 0.00 175.55 174.69 2r3b s LEU 4 N 1.63 4.34 0.00 -1.29 1.43 -0.45 -4.94 118.68 119.40 2r3b s LEU 4 Ca 0.36 1.86 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 2r3b s LEU 4 Cb -0.17 -4.01 -0.00 0.00 0.03 0.00 0.00 46.19 42.04 2r3b s LEU 4 CO 0.14 -0.09 0.18 -1.54 0.23 0.00 0.00 176.35 175.27 2r3b n SER 5 N 0.55 -0.49 0.31 2.29 3.41 -1.26 -4.37 113.62 114.05 2r3b n SER 5 Ca 0.02 -1.84 0.18 0.00 -0.26 0.00 0.00 58.87 56.97 2r3b n SER 5 Cb 0.50 0.96 0.92 0.00 -0.26 0.00 0.00 64.21 66.33 2r3b n SER 5 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2r3b h LYS 6 N 0.00 0.00 -0.93 4.33 1.57 -1.99 -1.20 116.57 118.35 2r3b h LYS 6 Ca -0.11 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.88 2r3b h LYS 6 Cb 0.50 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.70 2r3b h LYS 6 CO 0.15 0.00 0.49 -0.44 -0.57 0.00 0.00 179.45 179.08 2r3b h ASP 7 N 0.00 0.53 0.07 0.86 3.32 -1.98 -1.46 116.42 117.76 2r3b h ASP 7 Ca 0.02 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 2r3b h ASP 7 Cb 0.50 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2r3b h ASP 7 CO -0.00 0.11 -0.16 -0.29 -1.72 0.00 0.00 179.24 177.18 2r3b h ILE 8 N 0.55 1.18 -0.24 0.35 6.09 -1.63 -2.09 117.51 121.73 2r3b h ILE 8 Ca 0.57 -0.80 -0.19 0.00 -1.37 0.00 0.00 64.86 63.06 2r3b h ILE 8 Cb 1.00 1.27 0.00 0.00 0.47 0.00 0.00 36.82 39.56 2r3b h ILE 8 CO -0.46 0.25 -0.60 -0.07 -3.07 0.00 0.00 178.15 174.19 2r3b h LEU 9 N 0.17 0.94 -1.12 2.19 3.38 -1.44 -1.40 115.31 118.03 2r3b h LEU 9 Ca 0.03 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.37 2r3b h LEU 9 Cb 0.39 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2r3b h LEU 9 CO 0.02 1.34 -0.05 -0.33 0.09 0.00 0.00 178.44 179.52 2r3b h GLU 10 N 0.58 0.57 -0.04 1.13 5.08 -1.19 -0.82 114.58 119.90 2r3b h GLU 10 Ca -0.01 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2r3b h GLU 10 Cb 1.22 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2r3b h GLU 10 CO 0.13 0.63 -0.04 1.49 -1.00 0.00 0.00 179.01 180.21 2r3b h GLU 11 N 0.53 0.09 0.12 2.33 4.81 -1.31 -3.38 114.58 117.78 2r3b h GLU 11 Ca 0.11 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 2r3b h GLU 11 Cb 0.41 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.81 2r3b h GLU 11 CO 0.02 0.57 -0.89 0.28 -0.73 0.00 0.00 179.01 178.26 2r3b h VAL 12 N -0.38 1.42 -3.19 0.32 2.07 -1.13 -3.43 116.25 111.92 2r3b h VAL 12 Ca 0.01 -2.49 -0.60 0.00 0.82 0.00 0.00 66.70 64.44 2r3b h VAL 12 Cb 0.56 3.09 -0.11 0.00 -1.52 0.00 0.00 31.29 33.31 2r3b h VAL 12 CO 0.01 0.70 0.67 -0.63 0.02 0.00 0.00 177.57 178.33 2r3b s ILE 13 N -2.42 4.30 0.16 4.57 1.01 -0.32 -4.77 121.20 123.72 2r3b s ILE 13 Ca -0.16 0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2r3b s ILE 13 Cb 0.01 -4.59 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 2r3b s ILE 13 CO 0.80 -1.17 0.32 0.42 0.00 0.00 0.00 174.94 175.31 2r3b s THR 14 N 4.20 5.28 0.19 2.92 -4.23 -1.26 0.09 115.64 122.83 2r3b s THR 14 Ca 0.33 -0.47 -0.31 0.00 -1.18 0.00 0.00 61.69 60.06 2r3b s THR 14 Cb -0.11 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 69.92 2r3b s THR 14 CO 0.21 -0.09 1.44 -1.10 -0.54 0.00 0.00 174.62 174.54 2r3b s GLN 15 N -3.14 4.28 0.22 3.99 -0.21 -1.12 -4.63 119.66 119.05 2r3b s GLN 15 Ca 0.37 2.24 -0.30 0.00 0.02 0.00 0.00 55.36 57.68 2r3b s GLN 15 Cb -0.11 -3.16 -0.09 0.00 1.00 0.00 0.00 33.01 30.65 2r3b s GLN 15 CO 0.28 -0.45 1.23 1.03 -2.12 0.00 0.00 175.29 175.27 2r3b s ARG 16 N 0.34 4.46 0.42 2.91 0.52 -1.26 -4.99 118.95 121.36 2r3b s ARG 16 Ca 0.63 1.96 -0.26 0.00 -0.52 0.00 0.00 55.73 57.54 2r3b s ARG 16 Cb -0.41 -3.20 -0.09 0.00 0.52 0.00 0.00 34.95 31.78 2r3b s ARG 16 CO 0.37 -0.11 1.37 -2.14 0.02 0.00 0.00 175.30 174.81 2r3b s PRO 17 N -0.55 3.88 0.53 3.54 0.02 -1.26 -4.90 135.00 136.26 2r3b s PRO 17 Ca 0.52 2.30 0.35 0.00 0.02 0.00 0.00 61.00 64.20 2r3b s PRO 17 Cb -0.35 -2.74 1.75 0.00 0.02 0.00 0.00 34.50 33.18 2r3b s PRO 17 CO 0.40 -0.62 2.06 0.66 -0.33 0.00 0.00 177.00 179.17 2r3b h SER 18 N 2.58 0.00 -0.52 2.53 4.64 -2.06 -2.45 113.55 118.28 2r3b h SER 18 Ca -0.50 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.71 2r3b h SER 18 Cb 1.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 2r3b h SER 18 CO 0.62 0.00 0.14 -0.90 -0.87 0.00 0.00 176.83 175.82 2r3b n ASP 19 N -2.83 4.26 -4.85 4.97 5.75 -1.26 -4.98 116.55 117.61 2r3b n ASP 19 Ca -0.01 -2.84 -0.32 0.00 -0.01 0.00 0.00 54.79 51.61 2r3b n ASP 19 Cb 0.14 -0.67 -0.05 0.00 -1.03 0.00 0.00 41.12 39.51 2r3b n ASP 19 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2r3b s SER 20 N -0.61 6.71 0.37 -1.12 0.01 -0.92 -5.10 113.70 113.03 2r3b s SER 20 Ca 0.41 1.33 0.04 0.00 1.31 0.00 0.00 55.95 59.04 2r3b s SER 20 Cb 0.32 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 2r3b s SER 20 CO 0.11 -0.33 0.07 -0.31 0.41 0.00 0.00 173.24 173.19 2r3b s TYR 21 N -2.20 1.94 0.47 2.43 2.02 -1.26 -5.04 117.35 115.71 2r3b s TYR 21 Ca 0.55 -1.03 0.12 0.00 -0.37 0.00 0.00 57.07 56.34 2r3b s TYR 21 Cb -0.10 -1.30 1.07 0.00 -0.40 0.00 0.00 41.96 41.23 2r3b s TYR 21 CO 0.22 -0.03 2.09 1.57 -1.57 0.00 0.00 175.55 177.83 2r3b h LYS 22 N 1.95 0.27 -0.24 -0.62 2.10 -1.99 -0.58 116.57 117.45 2r3b h LYS 22 Ca -0.40 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2r3b h LYS 22 Cb 1.26 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2r3b h LYS 22 CO 0.67 0.18 0.16 0.66 -2.00 0.00 0.00 179.45 179.12 2r3b h SER 23 N 0.28 0.28 0.22 7.07 4.64 -1.91 -0.02 113.55 124.10 2r3b h SER 23 Ca 0.09 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2r3b h SER 23 Cb 0.04 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2r3b h SER 23 CO -0.02 0.20 0.00 0.78 -0.87 0.00 0.00 176.83 176.92 2r3b h ASN 24 N 0.33 0.00 -0.49 4.97 4.21 -1.51 -2.42 115.58 120.68 2r3b h ASN 24 Ca 0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2r3b h ASN 24 Cb -0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 2r3b h ASN 24 CO -0.02 0.00 0.00 0.49 -1.29 0.00 0.00 177.43 176.61 2r3b n PHE 25 N -2.61 1.08 0.00 1.19 3.72 -0.02 -4.83 117.46 115.99 2r3b n PHE 25 Ca -0.01 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 2r3b n PHE 25 Cb 0.10 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 2r3b n PHE 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r3b n GLY 26 N 0.62 -0.80 3.40 1.37 0.00 -0.91 -1.17 105.19 107.70 2r3b n GLY 26 Ca 0.21 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 2r3b n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r3b s ARG 27 N -3.68 3.50 -0.06 1.61 0.52 -1.26 -1.50 118.95 118.07 2r3b s ARG 27 Ca 0.00 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 2r3b s ARG 27 Cb 0.00 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 2r3b s ARG 27 CO 0.00 -0.24 -0.09 0.08 0.02 0.00 0.00 175.30 175.06 2r3b s VAL 28 N 1.57 3.50 -0.15 3.52 1.01 0.13 -0.28 120.40 129.71 2r3b s VAL 28 Ca 0.06 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2r3b s VAL 28 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.82 2r3b s VAL 28 CO 0.02 0.59 -0.21 -0.69 0.00 0.00 0.00 175.10 174.82 2r3b s VAL 29 N -0.76 2.15 -0.16 2.92 1.01 0.09 -1.00 120.40 124.65 2r3b s VAL 29 Ca 0.12 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 2r3b s VAL 29 Cb -0.11 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2r3b s VAL 29 CO 0.01 0.54 -0.02 -0.76 0.00 0.00 0.00 175.10 174.87 2r3b s LEU 30 N 0.87 3.31 -0.15 3.92 1.02 0.11 -0.91 118.68 126.86 2r3b s LEU 30 Ca -0.05 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 53.98 2r3b s LEU 30 Cb -0.15 -1.81 0.03 0.00 0.02 0.00 0.00 46.19 44.28 2r3b s LEU 30 CO -0.03 0.16 -0.12 -0.63 0.02 0.00 0.00 176.35 175.75 2r3b s ILE 31 N 0.44 1.46 -3.52 -0.59 1.01 0.23 -0.69 121.20 119.55 2r3b s ILE 31 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.02 2r3b s ILE 31 Cb -0.14 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.92 2r3b s ILE 31 CO 0.03 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2r3b n GLY 32 N 4.80 -0.89 2.11 6.18 0.00 -0.77 -1.08 105.19 115.54 2r3b n GLY 32 Ca -0.16 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 2r3b n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r3b n GLY 33 N 0.00 -2.25 0.00 -0.02 0.00 0.13 -4.08 105.19 98.97 2r3b n GLY 33 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2r3b n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2r3b n ASN 34 N -0.04 -0.12 0.25 1.61 0.23 0.36 -2.18 115.26 115.36 2r3b n ASN 34 Ca 0.03 -0.59 0.14 0.00 -0.53 0.00 0.00 54.58 53.63 2r3b n ASN 34 Cb 0.11 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.28 2r3b n ASN 34 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 2r3b h ARG 35 N 0.00 0.00 0.05 -3.83 3.08 -1.95 -2.72 114.38 109.02 2r3b h ARG 35 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 2r3b h ARG 35 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2r3b h ARG 35 CO 0.00 0.04 -1.92 0.94 -1.07 0.00 0.00 179.97 177.96 2r3b n GLN 36 N -3.13 0.69 -0.69 0.04 7.27 -1.26 -4.54 117.38 115.75 2r3b n GLN 36 Ca 0.02 0.25 -0.00 0.00 0.07 0.00 0.00 57.00 57.34 2r3b n GLN 36 Cb 0.41 -1.72 0.20 0.00 2.41 0.00 0.00 30.24 31.54 2r3b n GLN 36 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2r3b n TYR 37 N -3.20 0.82 0.27 3.69 4.01 -1.21 -4.77 117.16 116.77 2r3b n TYR 37 Ca -0.26 -1.47 0.11 0.00 -0.16 0.00 0.00 57.90 56.12 2r3b n TYR 37 Cb 1.06 -0.41 0.73 0.00 -0.31 0.00 0.00 39.34 40.41 2r3b n TYR 37 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2r3b h GLY 38 N 1.03 0.00 1.96 2.72 0.00 -1.72 -2.06 103.07 105.00 2r3b h GLY 38 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 2r3b h GLY 38 CO 0.28 0.00 0.02 -1.33 0.00 0.00 0.00 176.54 175.51 2r3b h GLY 39 N 0.24 0.06 0.80 4.60 0.00 -1.89 -2.63 103.07 104.24 2r3b h GLY 39 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.33 2r3b h GLY 39 CO 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 176.54 176.56 2r3b h ALA 40 N 1.96 0.10 0.00 3.60 0.00 -1.70 -2.52 119.26 120.70 2r3b h ALA 40 Ca 0.02 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2r3b h ALA 40 Cb 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2r3b h ALA 40 CO -0.00 -0.46 -0.51 0.97 0.00 0.00 0.00 179.25 179.24 2r3b h ILE 41 N 0.03 1.30 0.00 0.00 6.09 -1.64 -2.02 117.51 121.27 2r3b h ILE 41 Ca 0.06 -1.78 0.00 0.00 -1.37 0.00 0.00 64.86 61.76 2r3b h ILE 41 Cb 0.07 1.98 0.00 0.00 0.47 0.00 0.00 36.82 39.34 2r3b h ILE 41 CO -0.11 0.50 0.00 -0.38 -3.07 0.00 0.00 178.15 175.09 2r3b n ILE 42 N -3.83 0.09 0.00 2.19 5.41 -0.95 -0.78 119.36 121.48 2r3b n ILE 42 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2r3b n ILE 42 Cb 0.54 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 2r3b n ILE 42 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2r3b n SER 44 N 0.59 0.00 -0.09 4.38 7.64 -0.76 -1.61 113.62 123.77 2r3b n SER 44 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2r3b n SER 44 Cb 0.08 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 2r3b n SER 44 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2r3b h THR 45 N 0.00 1.13 -0.88 0.44 2.02 -1.24 -0.76 112.91 113.63 2r3b h THR 45 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2r3b h THR 45 Cb 0.00 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2r3b h THR 45 CO 0.00 0.13 0.56 -0.08 0.37 0.00 0.00 175.52 176.51 2r3b h GLU 46 N 0.35 1.18 -0.34 6.66 4.81 -1.56 -1.54 114.58 124.14 2r3b h GLU 46 Ca 0.10 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2r3b h GLU 46 Cb 0.08 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2r3b h GLU 46 CO -0.02 0.81 0.16 0.00 -0.73 0.00 0.00 179.01 179.23 2r3b h ALA 47 N 1.31 0.44 -0.13 2.92 0.00 -1.79 -1.44 119.26 120.57 2r3b h ALA 47 Ca 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2r3b h ALA 47 Cb -0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2r3b h ALA 47 CO -0.07 0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.24 2r3b h ILE 49 N 0.05 0.90 0.00 0.00 2.04 -1.31 -2.64 117.51 116.55 2r3b h ILE 49 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2r3b h ILE 49 Cb 0.17 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2r3b h ILE 49 CO -0.00 0.00 -0.04 0.78 0.00 0.00 0.00 178.15 178.89 2r3b h ASN 50 N -0.13 0.00 1.22 1.72 2.35 -1.17 -2.20 115.58 117.37 2r3b h ASN 50 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2r3b h ASN 50 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2r3b h ASN 50 CO 0.02 0.04 0.00 -1.54 -1.65 0.00 0.00 177.43 174.30 2r3b n SER 51 N -3.20 0.79 0.00 5.81 3.41 -0.19 -3.81 113.62 116.43 2r3b n SER 51 Ca -0.01 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2r3b n SER 51 Cb 0.24 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 2r3b n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r3b n GLY 52 N 0.84 0.98 3.62 5.00 0.00 -0.83 -4.83 105.19 109.97 2r3b n GLY 52 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 2r3b n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3b n ALA 53 N -1.12 0.15 -0.04 4.61 0.00 -1.13 -4.89 120.51 118.09 2r3b n ALA 53 Ca 0.00 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.72 2r3b n ALA 53 Cb 0.00 -2.10 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 2r3b n ALA 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2r3b h GLY 54 N 2.64 0.25 -5.96 0.00 0.00 -0.80 -3.44 103.07 95.75 2r3b h GLY 54 Ca -0.42 -0.19 -0.25 0.00 0.00 0.00 0.00 47.33 46.48 2r3b h GLY 54 CO 0.65 0.17 -0.68 1.08 0.00 0.00 0.00 176.54 177.76 2r3b s LEU 55 N -9.51 1.41 -0.09 3.11 1.43 -0.56 -4.92 118.68 109.55 2r3b s LEU 55 Ca -0.14 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2r3b s LEU 55 Cb 0.05 0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.40 2r3b s LEU 55 CO 0.71 -0.07 -0.12 -0.89 0.23 0.00 0.00 176.35 176.21 2r3b s THR 56 N 0.55 1.22 -0.03 5.49 2.01 -1.26 -0.69 115.64 122.93 2r3b s THR 56 Ca -0.04 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.54 2r3b s THR 56 Cb -0.06 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 2r3b s THR 56 CO -0.02 0.38 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.16 2r3b s THR 57 N 1.01 2.20 -0.17 -0.82 2.01 -0.17 -4.43 115.64 115.26 2r3b s THR 57 Ca -0.08 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.88 2r3b s THR 57 Cb -0.15 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.59 2r3b s THR 57 CO -0.01 0.58 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.65 2r3b s VAL 58 N -0.59 2.47 -0.41 3.82 1.01 -1.26 -0.71 120.40 124.73 2r3b s VAL 58 Ca 0.09 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 2r3b s VAL 58 Cb -0.10 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.25 2r3b s VAL 58 CO -0.00 0.52 0.37 -0.63 0.00 0.00 0.00 175.10 175.35 2r3b s ILE 59 N 1.07 5.16 0.15 2.22 1.01 0.14 -0.48 121.20 130.48 2r3b s ILE 59 Ca -0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 2r3b s ILE 59 Cb -0.14 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.39 2r3b s ILE 59 CO -0.05 -0.34 0.45 0.28 0.00 0.00 0.00 174.94 175.28 2r3b s THR 60 N 1.94 0.05 0.30 2.92 -1.32 -0.60 -1.85 115.64 117.09 2r3b s THR 60 Ca 0.09 -0.63 -0.29 0.00 -1.21 0.00 0.00 61.69 59.65 2r3b s THR 60 Cb -0.18 -1.31 -0.13 0.00 -1.51 0.00 0.00 72.50 69.38 2r3b s THR 60 CO 0.12 -0.23 1.37 -0.67 -2.21 0.00 0.00 174.62 173.00 2r3b n ASP 61 N -0.27 2.88 -0.03 8.08 -0.08 -0.93 -3.34 116.55 122.86 2r3b n ASP 61 Ca -0.14 1.18 0.23 0.00 -1.51 0.00 0.00 54.79 54.54 2r3b n ASP 61 Cb 0.63 -1.47 0.71 0.00 2.34 0.00 0.00 41.12 43.33 2r3b n ASP 61 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2r3b h VAL 62 N 2.82 0.61 -1.03 5.18 3.04 -1.92 0.16 116.25 125.12 2r3b h VAL 62 Ca -0.46 0.00 0.26 0.00 -1.01 0.00 0.00 66.70 65.49 2r3b h VAL 62 Cb 1.27 0.67 -0.09 0.00 -2.01 0.00 0.00 31.29 31.13 2r3b h VAL 62 CO 0.69 0.00 0.66 0.50 -1.01 0.00 0.00 177.57 178.41 2r3b h LYS 63 N 0.00 0.41 -0.00 4.17 3.64 -1.97 -2.14 116.57 120.68 2r3b h LYS 63 Ca 0.29 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2r3b h LYS 63 Cb 1.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2r3b h LYS 63 CO -0.00 0.27 -0.30 0.09 -2.27 0.00 0.00 179.45 177.24 2r3b n ASN 64 N -4.64 0.56 -0.00 4.20 3.02 0.58 -4.34 115.26 114.62 2r3b n ASN 64 Ca 0.25 -0.37 -0.04 0.00 -0.03 0.00 0.00 54.58 54.39 2r3b n ASN 64 Cb 0.85 0.06 0.19 0.00 -0.61 0.00 0.00 39.78 40.27 2r3b n ASN 64 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 2r3b h HIS 65 N 0.40 0.60 0.79 3.10 3.86 -1.47 -2.11 115.15 120.33 2r3b h HIS 65 Ca 0.00 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 2r3b h HIS 65 Cb 0.47 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.80 2r3b h HIS 65 CO 0.00 0.72 -0.38 0.78 0.86 0.00 0.00 177.93 179.91 2r3b h GLY 66 N 1.00 -1.11 2.00 2.45 0.00 -1.78 -1.33 103.07 104.30 2r3b h GLY 66 Ca 0.07 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.79 2r3b h GLY 66 CO 0.05 -0.40 -0.14 -0.56 0.00 0.00 0.00 176.54 175.49 2r3b h PRO 67 N -1.13 0.00 0.07 4.80 0.13 -1.83 -0.52 132.00 133.51 2r3b h PRO 67 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2r3b h PRO 67 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 2r3b h PRO 67 CO 0.18 0.14 -0.04 1.25 -0.23 0.00 0.00 178.00 179.29 2r3b h LEU 68 N 0.00 -0.11 -1.06 1.56 5.85 -1.32 -2.57 115.31 117.66 2r3b h LEU 68 Ca -0.00 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2r3b h LEU 68 Cb 0.24 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2r3b h LEU 68 CO 0.02 -0.07 -0.45 0.45 -0.34 0.00 0.00 178.44 178.05 2r3b h HIS 69 N -0.11 0.00 -0.57 1.25 3.86 -0.73 0.33 115.15 119.18 2r3b h HIS 69 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2r3b h HIS 69 Cb 0.09 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 2r3b h HIS 69 CO -0.08 0.45 0.35 0.00 0.86 0.00 0.00 177.93 179.51 2r3b h ALA 70 N 1.55 1.56 0.02 2.45 0.00 -0.92 -3.08 119.26 120.84 2r3b h ALA 70 Ca -0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 2r3b h ALA 70 Cb 0.84 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2r3b h ALA 70 CO 0.06 0.40 -2.01 0.54 0.00 0.00 0.00 179.25 178.23 2r3b n ARG 71 N -4.43 0.67 -3.28 0.00 1.74 -0.99 -4.79 116.66 105.58 2r3b n ARG 71 Ca 0.05 0.20 -0.25 0.00 -0.77 0.00 0.00 57.85 57.08 2r3b n ARG 71 Cb 0.06 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 29.74 2r3b n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2r3b n PRO 73 N 2.09 0.02 0.24 0.00 -0.04 -1.17 -2.59 135.00 133.56 2r3b n PRO 73 Ca 0.25 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 64.12 2r3b n PRO 73 Cb 0.51 -1.54 0.59 0.00 -0.04 0.00 0.00 33.50 33.02 2r3b n PRO 73 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2r3b h GLU 74 N 0.00 0.00 0.00 0.54 3.07 -1.93 -3.50 114.58 112.76 2r3b h GLU 74 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2r3b h GLU 74 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2r3b h GLU 74 CO 0.00 0.19 0.00 0.00 -1.40 0.00 0.00 179.01 177.80 2r3b n ALA 75 N -2.28 0.00 -3.64 3.43 0.00 -1.07 -4.67 120.51 112.28 2r3b n ALA 75 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 2r3b n ALA 75 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 2r3b n ALA 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2r3b s VAL 77 N 0.19 0.00 -0.03 0.00 -7.23 -1.26 -4.96 120.40 107.11 2r3b s VAL 77 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 2r3b s VAL 77 Cb 0.00 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.95 2r3b s VAL 77 CO 0.00 0.00 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.05 2r3b s VAL 78 N 0.57 0.56 0.54 1.32 1.01 0.37 -4.94 120.40 119.82 2r3b s VAL 78 Ca -0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 2r3b s VAL 78 Cb -0.04 -0.55 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 2r3b s VAL 78 CO -0.11 0.21 0.97 -0.83 0.00 0.00 0.00 175.10 175.35 2r3b s GLY 79 N 0.59 1.90 0.54 4.51 0.00 -1.26 -1.56 107.32 112.05 2r3b s GLY 79 Ca -0.08 0.03 0.21 0.00 0.00 0.00 0.00 44.72 44.88 2r3b s GLY 79 CO 0.00 0.30 2.16 0.74 0.00 0.00 0.00 173.10 176.30 2r3b h PHE 80 N 0.51 0.00 -0.00 1.90 0.04 -1.91 -2.15 116.94 115.33 2r3b h PHE 80 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 2r3b h PHE 80 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 2r3b h PHE 80 CO 0.64 0.00 -0.13 0.39 -0.60 0.00 0.00 178.31 178.61 2r3b n GLU 81 N -4.31 0.72 -2.20 1.51 -0.58 -1.26 -4.48 120.64 110.03 2r3b n GLU 81 Ca -0.02 -0.28 -0.42 0.00 -0.42 0.00 0.00 57.16 56.02 2r3b n GLU 81 Cb 0.14 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 2r3b n GLU 81 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2r3b n GLU 82 N -0.90 3.33 -0.05 3.49 1.02 -0.81 -4.83 120.64 121.90 2r3b n GLU 82 Ca 0.14 -3.24 -0.09 0.00 -0.02 0.00 0.00 57.16 53.95 2r3b n GLU 82 Cb 0.29 -3.08 -0.02 0.00 -0.02 0.00 0.00 31.44 28.60 2r3b n GLU 82 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2r3b h THR 83 N 4.00 0.92 -0.16 2.62 2.02 -1.84 0.66 112.91 121.13 2r3b h THR 83 Ca 0.45 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.53 2r3b h THR 83 Cb 0.67 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2r3b h THR 83 CO 1.67 0.03 -0.11 0.58 0.37 0.00 0.00 175.52 178.05 2r3b h VAL 84 N 0.14 1.33 -0.73 3.16 2.07 -1.98 -2.38 116.25 117.85 2r3b h VAL 84 Ca 0.09 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 2r3b h VAL 84 Cb 0.08 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2r3b h VAL 84 CO -0.12 0.36 0.21 0.25 0.02 0.00 0.00 177.57 178.29 2r3b h LEU 85 N 0.02 1.09 -0.79 2.57 5.85 -1.91 -0.84 115.31 121.30 2r3b h LEU 85 Ca 0.03 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 2r3b h LEU 85 Cb 0.62 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2r3b h LEU 85 CO 0.03 1.03 -0.12 0.17 -0.34 0.00 0.00 178.44 179.21 2r3b h LEU 86 N 1.10 0.78 -1.02 2.25 8.10 -0.88 -1.06 115.31 124.59 2r3b h LEU 86 Ca 0.23 -0.24 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 2r3b h LEU 86 Cb 0.34 -0.21 -0.03 0.00 -0.44 0.00 0.00 40.66 40.32 2r3b h LEU 86 CO -0.00 0.92 0.27 0.74 -4.11 0.00 0.00 178.44 176.26 2r3b h THR 87 N 0.72 1.23 -0.07 0.15 2.02 -1.00 -1.07 112.91 114.88 2r3b h THR 87 Ca 0.12 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 2r3b h THR 87 Cb 0.61 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2r3b h THR 87 CO 0.04 0.29 0.03 -1.13 0.37 0.00 0.00 175.52 175.11 2r3b h ASN 88 N 0.96 0.10 -0.35 4.18 -0.73 -0.51 -0.85 115.58 118.39 2r3b h ASN 88 Ca 0.23 -0.18 -0.10 0.00 1.87 0.00 0.00 56.30 58.11 2r3b h ASN 88 Cb 0.17 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 2r3b h ASN 88 CO -0.02 0.26 -0.15 -0.37 -0.37 0.00 0.00 177.43 176.78 2r3b h VAL 89 N -0.06 1.26 -0.68 2.57 -1.51 -1.04 -2.32 116.25 114.47 2r3b h VAL 89 Ca 0.02 -1.23 -0.07 0.00 -1.23 0.00 0.00 66.70 64.19 2r3b h VAL 89 Cb 0.19 1.09 -0.03 0.00 -2.13 0.00 0.00 31.29 30.41 2r3b h VAL 89 CO -0.00 0.42 0.15 0.58 -1.23 0.00 0.00 177.57 177.49 2r3b h VAL 90 N 0.72 1.26 -0.59 7.19 2.07 -1.10 -2.58 116.25 123.21 2r3b h VAL 90 Ca 0.11 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2r3b h VAL 90 Cb 0.64 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2r3b h VAL 90 CO 0.05 0.37 0.35 -0.08 0.02 0.00 0.00 177.57 178.27 2r3b h GLU 91 N 1.03 0.80 0.00 1.57 4.22 -0.80 -2.53 114.58 118.87 2r3b h GLU 91 Ca 0.21 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.58 2r3b h GLU 91 Cb 0.38 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2r3b h GLU 91 CO 0.00 0.56 -0.21 1.04 -2.18 0.00 0.00 179.01 178.22 2r3b n GLN 92 N -4.41 0.08 -2.24 1.92 6.02 -0.90 -4.96 117.38 112.89 2r3b n GLN 92 Ca 0.06 0.05 -0.37 0.00 -0.01 0.00 0.00 57.00 56.72 2r3b n GLN 92 Cb 0.08 -1.58 -0.01 0.00 1.02 0.00 0.00 30.24 29.75 2r3b n GLN 92 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2r3b s ALA 93 N -3.04 3.03 -0.01 -1.58 0.00 -0.95 -4.85 121.76 114.36 2r3b s ALA 93 Ca 0.12 0.97 0.07 0.00 0.00 0.00 0.00 51.96 53.11 2r3b s ALA 93 Cb 0.17 -3.39 -0.24 0.00 0.00 0.00 0.00 23.12 19.65 2r3b s ALA 93 CO 0.61 -0.66 0.81 -0.44 0.00 0.00 0.00 175.76 176.07 2r3b h ASP 94 N 2.20 0.12 -3.57 0.00 3.32 -0.98 -3.46 116.42 114.05 2r3b h ASP 94 Ca -0.49 -0.20 -0.31 0.00 0.02 0.00 0.00 57.03 56.05 2r3b h ASP 94 Cb 1.25 -0.04 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 2r3b h ASP 94 CO 0.61 1.17 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.87 2r3b s VAL 95 N -2.62 0.10 -0.13 -1.35 1.01 -1.08 -2.20 120.40 114.13 2r3b s VAL 95 Ca -0.06 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2r3b s VAL 95 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.28 2r3b s VAL 95 CO 0.82 0.11 -0.21 -0.63 0.00 0.00 0.00 175.10 175.19 2r3b s ILE 96 N 0.80 2.18 -0.19 2.22 1.01 0.00 -0.73 121.20 126.50 2r3b s ILE 96 Ca -0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 2r3b s ILE 96 Cb -0.11 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 2r3b s ILE 96 CO -0.02 0.55 -0.05 -0.22 0.00 0.00 0.00 174.94 175.20 2r3b s LEU 97 N 0.66 2.99 -0.09 2.97 2.96 -0.09 -0.07 118.68 128.02 2r3b s LEU 97 Ca -0.10 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2r3b s LEU 97 Cb -0.16 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.80 2r3b s LEU 97 CO 0.02 0.07 -0.16 -0.51 -1.32 0.00 0.00 176.35 174.45 2r3b s ILE 98 N 0.94 1.47 0.00 6.68 2.07 -0.18 0.75 121.20 132.92 2r3b s ILE 98 Ca -0.00 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 58.58 2r3b s ILE 98 Cb -0.15 -1.32 0.00 0.00 0.13 0.00 0.00 42.46 41.12 2r3b s ILE 98 CO 0.01 0.43 0.00 0.61 -1.91 0.00 0.00 174.94 174.08 2r3b n GLY 99 N 3.89 2.37 3.67 1.50 0.00 -0.24 -1.31 105.19 115.06 2r3b n GLY 99 Ca -0.21 -0.21 -0.47 0.00 0.00 0.00 0.00 46.02 45.13 2r3b n GLY 99 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2r3b n PRO 100 N 0.00 2.31 -1.48 1.61 -0.02 -1.26 -1.44 135.00 134.73 2r3b n PRO 100 Ca 0.00 0.84 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 2r3b n PRO 100 Cb 0.00 -2.75 -0.07 0.00 -0.02 0.00 0.00 33.50 30.66 2r3b n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r3b n GLY 101 N 4.56 1.60 0.15 -1.23 0.00 -1.26 -0.69 105.19 108.32 2r3b n GLY 101 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2r3b n GLY 101 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2r3b h LEU 102 N 0.00 0.00 0.00 0.99 5.85 -1.57 0.11 115.31 120.69 2r3b h LEU 102 Ca -0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2r3b h LEU 102 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2r3b h LEU 102 CO 0.49 0.56 0.00 0.61 -0.34 0.00 0.00 178.44 179.76 2r3b n GLY 103 N 0.21 -1.51 0.00 3.75 0.00 -1.26 -4.44 105.19 101.94 2r3b n GLY 103 Ca -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2r3b n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2r3b n LEU 104 N 0.00 0.59 0.00 0.99 4.77 -1.26 -4.71 117.00 117.38 2r3b n LEU 104 Ca 0.00 -0.59 -0.18 0.00 -0.03 0.00 0.00 56.01 55.21 2r3b n LEU 104 Cb 0.00 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 2r3b n LEU 104 CO 0.00 0.15 0.54 -0.90 -1.33 0.00 0.00 177.39 175.85 2r3b n ASP 105 N -0.09 0.10 0.03 -1.43 5.68 -1.26 -4.68 116.55 114.89 2r3b n ASP 105 Ca 0.00 -1.32 -0.02 0.00 -0.50 0.00 0.00 54.79 52.96 2r3b n ASP 105 Cb 0.26 -0.62 0.25 0.00 -1.14 0.00 0.00 41.12 39.87 2r3b n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2r3b h ALA 106 N -1.81 1.22 -0.22 2.12 0.00 -1.98 -1.05 119.26 117.53 2r3b h ALA 106 Ca -0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2r3b h ALA 106 Cb 0.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2r3b h ALA 106 CO 0.19 0.50 0.02 1.15 0.00 0.00 0.00 179.25 181.11 2r3b h THR 107 N 0.41 1.24 -0.38 0.00 2.02 -1.98 -0.69 112.91 113.53 2r3b h THR 107 Ca 0.07 -0.82 0.07 0.00 0.77 0.00 0.00 66.41 66.51 2r3b h THR 107 Cb 0.55 1.34 -0.07 0.00 -1.74 0.00 0.00 68.15 68.23 2r3b h THR 107 CO 0.04 0.25 -0.03 0.00 0.37 0.00 0.00 175.52 176.15 2r3b h ALA 108 N 0.82 0.32 -0.55 6.16 0.00 -1.68 -0.65 119.26 123.68 2r3b h ALA 108 Ca 0.07 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2r3b h ALA 108 Cb 0.36 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2r3b h ALA 108 CO 0.01 -0.42 0.31 1.96 0.00 0.00 0.00 179.25 181.12 2r3b h GLN 109 N 0.07 0.60 -0.18 0.00 4.20 -1.13 -1.50 115.11 117.17 2r3b h GLN 109 Ca 0.19 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 2r3b h GLN 109 Cb 0.27 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2r3b h GLN 109 CO -0.34 0.39 0.07 0.37 -0.67 0.00 0.00 178.83 178.65 2r3b h GLN 110 N 0.61 0.27 -0.58 1.46 4.15 -0.75 -1.96 115.11 118.32 2r3b h GLN 110 Ca 0.23 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.61 2r3b h GLN 110 Cb 0.08 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 2r3b h GLN 110 CO -0.13 0.35 0.37 0.82 -1.93 0.00 0.00 178.83 178.32 2r3b h ILE 111 N 0.13 1.13 -0.30 2.39 1.08 -1.01 -2.70 117.51 118.22 2r3b h ILE 111 Ca 0.06 -0.26 0.03 0.00 -0.39 0.00 0.00 64.86 64.30 2r3b h ILE 111 Cb 0.19 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.21 2r3b h ILE 111 CO -0.00 0.14 0.12 0.25 -0.69 0.00 0.00 178.15 177.97 2r3b h LEU 112 N 0.76 0.16 -1.71 1.44 5.85 -1.19 -0.52 115.31 120.10 2r3b h LEU 112 Ca 0.22 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2r3b h LEU 112 Cb -0.06 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2r3b h LEU 112 CO -0.06 0.13 0.00 0.29 -0.34 0.00 0.00 178.44 178.46 2r3b n LYS 113 N -5.00 0.00 0.00 1.25 5.02 -0.74 -0.73 118.16 117.96 2r3b n LYS 113 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2r3b n LYS 113 Cb 0.09 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2r3b n LYS 113 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2r3b n VAL 115 N 0.82 0.00 -0.31 -0.18 0.31 -0.21 -0.84 118.33 117.92 2r3b n VAL 115 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2r3b n VAL 115 Cb 0.00 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.00 2r3b n VAL 115 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2r3b h LEU 116 N 0.00 1.12 -0.69 7.52 3.38 -1.18 -1.52 115.31 123.94 2r3b h LEU 116 Ca 0.00 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2r3b h LEU 116 Cb 0.00 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2r3b h LEU 116 CO 0.00 0.96 0.02 0.00 0.09 0.00 0.00 178.44 179.51 2r3b h ALA 117 N 1.20 0.90 0.00 1.53 0.00 -1.23 -3.16 119.26 118.51 2r3b h ALA 117 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2r3b h ALA 117 Cb 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2r3b h ALA 117 CO -0.03 0.66 -0.04 1.96 0.00 0.00 0.00 179.25 181.80 2r3b h GLN 118 N 0.95 0.00 -6.49 0.00 4.20 -1.74 -3.47 115.11 108.56 2r3b h GLN 118 Ca 0.18 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.28 2r3b h GLN 118 Cb 0.52 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.38 2r3b h GLN 118 CO 0.03 0.00 0.50 1.58 -0.67 0.00 0.00 178.83 180.26 2r3b n HIS 119 N -2.85 1.85 -4.14 2.96 -0.00 -0.59 -4.98 115.22 107.47 2r3b n HIS 119 Ca 0.04 0.51 -0.30 0.00 0.46 0.00 0.00 57.72 58.43 2r3b n HIS 119 Cb 0.50 -2.40 -0.08 0.00 -0.12 0.00 0.00 29.99 27.90 2r3b n HIS 119 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 2r3b s GLN 120 N -0.32 2.62 0.28 1.57 -0.21 -1.26 -4.97 119.66 117.37 2r3b s GLN 120 Ca 0.71 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 55.29 2r3b s GLN 120 Cb -0.73 -2.58 0.48 0.00 1.00 0.00 0.00 33.01 31.18 2r3b s GLN 120 CO 0.50 0.55 1.88 -0.22 -2.12 0.00 0.00 175.29 175.88 2r3b h LYS 121 N 3.54 1.07 0.00 2.91 3.64 -1.94 -1.31 116.57 124.47 2r3b h LYS 121 Ca -0.48 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2r3b h LYS 121 Cb 1.17 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2r3b h LYS 121 CO 0.60 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 178.49 2r3b n GLN 122 N -4.52 0.14 -3.15 1.90 0.00 -1.26 -4.80 117.38 105.69 2r3b n GLN 122 Ca 0.16 0.02 -0.39 0.00 0.00 0.00 0.00 57.00 56.79 2r3b n GLN 122 Cb 0.23 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.91 2r3b n GLN 122 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2r3b s GLN 123 N -2.86 4.36 0.23 2.61 -0.21 -0.50 -4.99 119.66 118.30 2r3b s GLN 123 Ca 0.18 0.83 -0.30 0.00 0.02 0.00 0.00 55.36 56.10 2r3b s GLN 123 Cb 0.19 -3.34 -0.09 0.00 1.00 0.00 0.00 33.01 30.77 2r3b s GLN 123 CO 0.49 0.38 1.10 -1.58 -2.12 0.00 0.00 175.29 173.55 2r3b s TRP 124 N -0.27 3.59 -0.17 0.91 0.52 -0.93 -4.80 118.94 117.79 2r3b s TRP 124 Ca 0.33 1.65 -0.01 0.00 0.02 0.00 0.00 56.10 58.09 2r3b s TRP 124 Cb -0.19 -3.28 0.05 0.00 -1.15 0.00 0.00 33.47 28.90 2r3b s TRP 124 CO 0.19 -0.58 -0.04 -1.17 0.02 0.00 0.00 176.95 175.38 2r3b s LEU 125 N -0.89 1.59 -0.24 2.99 2.96 -0.46 -0.82 118.68 123.81 2r3b s LEU 125 Ca 0.47 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.58 2r3b s LEU 125 Cb -0.31 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 2r3b s LEU 125 CO 0.38 -0.21 0.11 -0.63 -1.32 0.00 0.00 176.35 174.68 2r3b s ILE 126 N 1.66 4.77 -0.24 6.68 1.01 0.91 -0.50 121.20 135.49 2r3b s ILE 126 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 2r3b s ILE 126 Cb -0.16 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.09 2r3b s ILE 126 CO -0.07 0.34 -0.03 -0.63 0.00 0.00 0.00 174.94 174.55 2r3b s ILE 127 N 1.35 3.30 0.11 2.92 1.01 0.59 -1.01 121.20 129.47 2r3b s ILE 127 Ca 0.06 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.06 2r3b s ILE 127 Cb -0.15 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2r3b s ILE 127 CO 0.05 0.29 -0.13 -0.62 0.00 0.00 0.00 174.94 174.53 2r3b s ASP 128 N 1.43 1.87 1.65 3.58 2.15 -0.43 -1.87 116.67 125.04 2r3b s ASP 128 Ca 0.03 -0.78 0.00 0.00 0.43 0.00 0.00 52.55 52.24 2r3b s ASP 128 Cb -0.15 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.41 2r3b s ASP 128 CO -0.03 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 2r3b n GLY 129 N 0.66 3.40 0.25 2.66 0.00 -1.26 -1.58 105.19 109.32 2r3b n GLY 129 Ca -0.16 -0.18 0.17 0.00 0.00 0.00 0.00 46.02 45.85 2r3b n GLY 129 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2r3b h SER 130 N 3.12 0.00 0.53 1.61 4.64 -1.88 -0.60 113.55 120.98 2r3b h SER 130 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2r3b h SER 130 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2r3b h SER 130 CO 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 176.83 175.54 2r3b h ALA 131 N 2.04 1.19 -0.17 5.18 0.00 -1.51 -0.21 119.26 125.79 2r3b h ALA 131 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2r3b h ALA 131 Cb 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2r3b h ALA 131 CO 0.00 0.52 -0.10 0.82 0.00 0.00 0.00 179.25 180.49 2r3b h ILE 132 N 0.00 1.32 -0.30 0.00 2.04 -1.13 0.01 117.51 119.45 2r3b h ILE 132 Ca -0.00 -1.19 0.02 0.00 1.00 0.00 0.00 64.86 64.69 2r3b h ILE 132 Cb 0.80 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 2r3b h ILE 132 CO 0.05 0.35 0.15 0.74 0.00 0.00 0.00 178.15 179.44 2r3b h THR 133 N 0.03 0.98 -0.61 -0.27 2.02 -1.49 -0.34 112.91 113.24 2r3b h THR 133 Ca 0.03 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 2r3b h THR 133 Cb 0.60 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2r3b h THR 133 CO 0.03 0.06 0.18 -0.07 0.37 0.00 0.00 175.52 176.09 2r3b h LEU 134 N 0.31 0.86 -0.52 2.58 3.38 -1.01 -1.05 115.31 119.85 2r3b h LEU 134 Ca 0.13 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2r3b h LEU 134 Cb 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2r3b h LEU 134 CO -0.09 0.81 0.32 0.15 0.09 0.00 0.00 178.44 179.72 2r3b h PHE 135 N 0.89 0.68 -0.35 1.13 3.04 -0.51 -1.08 116.94 120.74 2r3b h PHE 135 Ca 0.20 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.99 2r3b h PHE 135 Cb 0.27 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 2r3b h PHE 135 CO 0.02 0.47 -0.40 0.77 -2.02 0.00 0.00 178.31 177.15 2r3b h SER 136 N 0.69 0.96 1.24 0.41 0.02 -0.82 -3.03 113.55 113.01 2r3b h SER 136 Ca 0.19 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2r3b h SER 136 Cb -0.02 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.25 2r3b h SER 136 CO -0.04 1.24 0.00 1.56 -1.14 0.00 0.00 176.83 178.46 2r3b h GLN 137 N 0.70 0.00 -0.67 3.45 4.20 -1.09 -3.25 115.11 118.44 2r3b h GLN 137 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2r3b h GLN 137 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 2r3b h GLN 137 CO 0.10 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.67 2r3b n GLY 138 N 0.31 2.26 4.26 3.46 0.00 -0.42 -4.93 105.19 110.13 2r3b n GLY 138 Ca 0.02 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 2r3b n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2r3b n ASN 139 N 1.58 -0.54 -4.79 1.61 3.02 -1.23 -4.90 115.26 110.02 2r3b n ASN 139 Ca 0.23 -1.17 -0.31 0.00 -0.03 0.00 0.00 54.58 53.31 2r3b n ASN 139 Cb 0.60 -1.47 0.08 0.00 -0.61 0.00 0.00 39.78 38.38 2r3b n ASN 139 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2r3b s PHE 140 N -3.62 2.80 -0.05 3.10 0.08 -1.23 -5.07 117.98 113.98 2r3b s PHE 140 Ca 0.43 1.35 0.04 0.00 0.12 0.00 0.00 56.93 58.87 2r3b s PHE 140 Cb -0.25 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.17 2r3b s PHE 140 CO 0.94 -1.68 -0.16 -1.12 -0.10 0.00 0.00 175.22 173.10 2r3b s SER 141 N -3.68 2.13 -0.02 1.36 0.01 -1.26 -5.03 113.70 107.21 2r3b s SER 141 Ca 0.60 -0.36 -0.29 0.00 1.31 0.00 0.00 55.95 57.22 2r3b s SER 141 Cb -0.15 -0.71 -0.03 0.00 0.21 0.00 0.00 66.02 65.33 2r3b s SER 141 CO 0.55 0.13 0.95 -0.76 0.41 0.00 0.00 173.24 174.52 2r3b s LEU 142 N 0.21 4.35 0.00 2.44 1.43 -1.26 -4.96 118.68 120.88 2r3b s LEU 142 Ca -0.08 1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 54.41 2r3b s LEU 142 Cb -0.13 -3.51 -0.23 0.00 0.03 0.00 0.00 46.19 42.35 2r3b s LEU 142 CO 0.03 -0.27 1.10 0.74 0.23 0.00 0.00 176.35 178.18 2r3b h THR 143 N 4.84 1.43 -2.82 5.49 2.02 -1.97 -3.39 112.91 118.50 2r3b h THR 143 Ca -0.40 -2.07 -0.61 0.00 0.77 0.00 0.00 66.41 64.11 2r3b h THR 143 Cb 1.21 2.60 -0.41 0.00 -1.74 0.00 0.00 68.15 69.81 2r3b h THR 143 CO 0.76 0.60 -0.72 -1.22 0.37 0.00 0.00 175.52 175.32 2r3b n TYR 144 N -4.23 1.76 0.25 3.16 4.01 -1.26 -4.97 117.16 115.88 2r3b n TYR 144 Ca -0.10 -3.95 0.14 0.00 -0.16 0.00 0.00 57.90 53.82 2r3b n TYR 144 Cb 0.66 -0.31 0.52 0.00 -0.31 0.00 0.00 39.34 39.91 2r3b n TYR 144 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2r3b h PRO 145 N 5.46 0.00 0.00 -0.72 0.13 -1.84 -3.28 132.00 131.75 2r3b h PRO 145 Ca 0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 2r3b h PRO 145 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 2r3b h PRO 145 CO 0.59 0.09 -0.12 1.05 -0.23 0.00 0.00 178.00 179.38 2r3b h GLU 146 N 0.00 0.00 -0.41 0.86 9.09 -1.89 -0.82 114.58 121.40 2r3b h GLU 146 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2r3b h GLU 146 Cb 0.68 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.76 2r3b h GLU 146 CO 0.01 0.12 0.02 1.63 0.05 0.00 0.00 179.01 180.84 2r3b n LYS 147 N -4.22 3.66 -3.44 1.06 5.02 -1.24 -4.76 118.16 114.25 2r3b n LYS 147 Ca -0.03 -3.00 -0.38 0.00 -2.02 0.00 0.00 58.31 52.89 2r3b n LYS 147 Cb 0.19 -2.03 -0.06 0.00 -0.02 0.00 0.00 35.03 33.12 2r3b n LYS 147 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2r3b s VAL 148 N -2.84 5.06 -0.18 -0.18 1.01 -0.31 -1.35 120.40 121.61 2r3b s VAL 148 Ca 0.48 0.88 0.01 0.00 0.00 0.00 0.00 61.98 63.35 2r3b s VAL 148 Cb 0.38 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2r3b s VAL 148 CO 0.11 0.50 -0.13 -0.69 0.00 0.00 0.00 175.10 174.89 2r3b s VAL 149 N -0.54 1.71 -0.07 2.92 1.01 0.35 -1.62 120.40 124.16 2r3b s VAL 149 Ca 0.24 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 2r3b s VAL 149 Cb -0.16 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2r3b s VAL 149 CO 0.12 0.32 0.30 -0.36 0.00 0.00 0.00 175.10 175.48 2r3b s PHE 150 N 1.40 3.64 -0.58 5.22 0.40 -0.09 -0.30 117.98 127.67 2r3b s PHE 150 Ca 0.02 0.77 0.05 0.00 -0.60 0.00 0.00 56.93 57.17 2r3b s PHE 150 Cb -0.15 -2.18 0.33 0.00 0.51 0.00 0.00 43.02 41.53 2r3b s PHE 150 CO -0.10 0.61 0.93 0.25 0.70 0.00 0.00 175.22 177.61 2r3b n THR 151 N 2.18 2.97 -2.85 0.64 -2.24 -0.78 -0.57 114.28 113.63 2r3b n THR 151 Ca -0.16 -5.54 -0.36 0.00 -2.27 0.00 0.00 64.05 55.73 2r3b n THR 151 Cb 0.53 -1.45 -0.07 0.00 -2.10 0.00 0.00 70.33 67.24 2r3b n THR 151 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2r3b s PRO 152 N -3.37 4.42 0.98 -0.78 0.04 -1.13 -4.48 135.00 130.68 2r3b s PRO 152 Ca 0.48 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 2r3b s PRO 152 Cb 0.27 -2.63 0.18 0.00 0.04 0.00 0.00 34.50 32.36 2r3b s PRO 152 CO -0.13 0.20 1.19 -1.01 0.04 0.00 0.00 177.00 177.30 2r3b s HIS 153 N -1.77 1.86 -0.50 0.56 3.76 -1.26 -1.23 115.29 116.70 2r3b s HIS 153 Ca 0.53 0.61 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 2r3b s HIS 153 Cb -0.15 -3.63 0.00 0.00 1.11 0.00 0.00 32.58 29.90 2r3b s HIS 153 CO 0.20 -2.71 0.00 1.04 -0.85 0.00 0.00 174.74 172.42 2r3b n GLN 154 N -3.93 0.00 0.00 1.40 6.02 -1.26 -1.05 117.38 118.57 2r3b n GLN 154 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2r3b n GLN 154 Cb 0.60 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.77 2r3b n GLN 154 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2r3b n GLU 156 N 0.62 0.00 -0.12 -1.09 1.02 -1.26 -1.35 120.64 118.45 2r3b n GLU 156 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 2r3b n GLU 156 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.54 2r3b n GLU 156 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2r3b h TRP 157 N 0.00 0.91 -0.65 -0.32 -0.00 -1.39 -0.34 115.95 114.15 2r3b h TRP 157 Ca 0.00 -0.15 0.07 0.00 -0.00 0.00 0.00 58.89 58.81 2r3b h TRP 157 Cb 0.00 -0.24 -0.06 0.00 -0.00 0.00 0.00 29.16 28.86 2r3b h TRP 157 CO 0.00 0.85 0.34 0.37 -0.00 0.00 0.00 178.44 180.00 2r3b h GLN 158 N 0.77 0.60 -0.31 2.65 4.15 -1.36 0.30 115.11 121.91 2r3b h GLN 158 Ca 0.14 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 2r3b h GLN 158 Cb 0.53 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2r3b h GLN 158 CO 0.03 0.40 -0.04 -0.09 -1.93 0.00 0.00 178.83 177.20 2r3b h ARG 159 N 0.62 0.58 -0.08 1.69 2.43 -1.72 0.18 114.38 118.08 2r3b h ARG 159 Ca 0.30 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 2r3b h ARG 159 Cb 0.24 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2r3b h ARG 159 CO -0.21 0.74 -0.29 1.25 -1.51 0.00 0.00 179.97 179.96 2r3b h LEU 160 N 0.36 0.40 0.00 3.80 5.85 -0.73 -3.35 115.31 121.64 2r3b h LEU 160 Ca 0.08 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2r3b h LEU 160 Cb 0.50 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2r3b h LEU 160 CO 0.02 0.95 -0.94 -1.54 -0.34 0.00 0.00 178.44 176.60 2r3b n SER 161 N -4.45 0.66 -0.59 1.25 3.41 0.10 -4.96 113.62 109.05 2r3b n SER 161 Ca -0.08 0.02 -0.08 0.00 -0.26 0.00 0.00 58.87 58.47 2r3b n SER 161 Cb 0.48 0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 64.96 2r3b n SER 161 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2r3b n HIS 162 N -2.17 0.00 -2.94 7.33 8.25 0.64 -4.99 115.22 121.34 2r3b n HIS 162 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 2r3b n HIS 162 Cb 0.47 -2.06 -0.05 0.00 1.12 0.00 0.00 29.99 29.47 2r3b n HIS 162 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2r3b s LEU 163 N -1.75 4.12 0.61 2.41 1.43 -1.22 -5.01 118.68 119.27 2r3b s LEU 163 Ca 0.00 0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 53.23 2r3b s LEU 163 Cb 0.00 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 2r3b s LEU 163 CO 0.00 -0.78 1.10 -2.65 0.23 0.00 0.00 176.35 174.25 2r3b n PRO 164 N 6.52 1.03 -0.34 1.29 -0.02 -1.26 -4.08 135.00 138.14 2r3b n PRO 164 Ca 0.03 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 61.97 2r3b n PRO 164 Cb 0.48 -2.32 0.21 0.00 -0.02 0.00 0.00 33.50 31.86 2r3b n PRO 164 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2r3b h ILE 165 N 0.58 0.93 -0.89 4.25 2.04 -1.96 0.66 117.51 123.12 2r3b h ILE 165 Ca -0.49 -0.33 0.20 0.00 1.00 0.00 0.00 64.86 65.24 2r3b h ILE 165 Cb 1.35 -0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 2r3b h ILE 165 CO 0.52 0.17 0.59 1.05 0.00 0.00 0.00 178.15 180.48 2r3b h GLU 166 N 0.95 0.40 -0.19 2.37 -0.00 -2.01 -2.17 114.58 113.92 2r3b h GLU 166 Ca 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.80 2r3b h GLU 166 Cb 0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.09 2r3b h GLU 166 CO -0.25 0.27 0.00 1.04 -0.00 0.00 0.00 179.01 180.06 2r3b n GLN 167 N -4.51 2.01 -1.46 1.06 6.02 0.23 -4.67 117.38 116.06 2r3b n GLN 167 Ca 0.19 -1.51 -0.40 0.00 -0.01 0.00 0.00 57.00 55.27 2r3b n GLN 167 Cb 0.68 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.48 2r3b n GLN 167 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2r3b n GLN 168 N 0.75 2.97 -2.42 -1.09 6.02 -0.82 -4.69 117.38 118.11 2r3b n GLN 168 Ca 0.17 -2.31 -0.28 0.00 -0.01 0.00 0.00 57.00 54.57 2r3b n GLN 168 Cb 0.44 -3.02 0.01 0.00 1.02 0.00 0.00 30.24 28.69 2r3b n GLN 168 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2r3b s THR 169 N 3.02 4.59 0.20 5.09 -4.23 -1.26 -4.82 115.64 118.23 2r3b s THR 169 Ca 0.55 0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 61.25 2r3b s THR 169 Cb 0.15 -3.78 0.15 0.00 1.34 0.00 0.00 72.50 70.37 2r3b s THR 169 CO -0.06 -0.83 1.69 0.25 -0.54 0.00 0.00 174.62 175.14 2r3b h LEU 170 N 0.02 -0.10 -0.31 4.79 6.46 -1.98 0.54 115.31 124.73 2r3b h LEU 170 Ca -0.46 0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.38 2r3b h LEU 170 Cb 1.21 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.31 2r3b h LEU 170 CO 0.62 -0.03 0.05 0.00 -0.62 0.00 0.00 178.44 178.45 2r3b h ALA 171 N 1.48 0.41 -0.24 1.25 0.00 -1.96 -0.93 119.26 119.27 2r3b h ALA 171 Ca 0.29 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2r3b h ALA 171 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2r3b h ALA 171 CO -0.42 0.10 -0.04 -0.91 0.00 0.00 0.00 179.25 177.98 2r3b h ASN 172 N 0.33 0.45 -0.46 0.00 2.35 -1.72 -1.47 115.58 115.07 2r3b h ASN 172 Ca 0.09 -0.35 0.06 0.00 -0.55 0.00 0.00 56.30 55.56 2r3b h ASN 172 Cb 0.34 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 2r3b h ASN 172 CO 0.01 0.69 0.14 0.78 -1.65 0.00 0.00 177.43 177.40 2r3b h ASN 173 N 0.20 0.13 -0.81 5.81 2.35 0.08 -1.39 115.58 121.94 2r3b h ASN 173 Ca 0.06 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2r3b h ASN 173 Cb 0.49 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 2r3b h ASN 173 CO 0.02 0.10 0.33 -0.61 -1.65 0.00 0.00 177.43 175.62 2r3b h GLN 174 N 0.30 1.20 -0.71 0.81 5.75 -1.06 -0.25 115.11 121.15 2r3b h GLN 174 Ca 0.22 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 2r3b h GLN 174 Cb 0.24 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 2r3b h GLN 174 CO -0.24 0.97 0.27 -0.09 -2.65 0.00 0.00 178.83 177.09 2r3b h ARG 175 N 1.17 1.05 0.03 1.69 2.43 -0.78 -0.39 114.38 119.59 2r3b h ARG 175 Ca 0.27 -0.19 -0.22 0.00 -0.81 0.00 0.00 59.98 59.04 2r3b h ARG 175 Cb 0.21 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2r3b h ARG 175 CO -0.02 0.86 -0.98 1.96 -1.51 0.00 0.00 179.97 180.28 2r3b h GLN 176 N 1.03 0.16 -0.40 0.20 1.08 -0.89 -1.57 115.11 114.71 2r3b h GLN 176 Ca 0.24 -0.21 0.06 0.00 -1.45 0.00 0.00 58.65 57.29 2r3b h GLN 176 Cb 0.21 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 2r3b h GLN 176 CO -0.02 1.01 0.10 0.37 -0.95 0.00 0.00 178.83 179.34 2r3b h GLN 177 N 0.07 0.23 -0.55 1.46 -0.00 -0.82 -2.78 115.11 112.72 2r3b h GLN 177 Ca -0.05 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.55 2r3b h GLN 177 Cb 1.67 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 29.07 2r3b h GLN 177 CO 0.15 0.15 0.20 0.00 0.00 0.00 0.00 178.83 179.33 2r3b h ALA 178 N 1.29 1.33 -0.74 3.38 0.00 -0.68 -0.55 119.26 123.29 2r3b h ALA 178 Ca 0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2r3b h ALA 178 Cb 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2r3b h ALA 178 CO -0.24 0.50 0.29 -0.22 0.00 0.00 0.00 179.25 179.58 2r3b h LYS 179 N 0.79 1.11 -0.10 0.00 3.64 -1.16 -2.86 116.57 118.00 2r3b h LYS 179 Ca 0.19 -0.21 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 2r3b h LYS 179 Cb 0.18 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2r3b h LYS 179 CO -0.01 0.92 -0.71 -0.07 -2.27 0.00 0.00 179.45 177.30 2r3b h LEU 180 N 1.07 0.55 0.13 5.20 3.38 -1.18 -3.48 115.31 120.97 2r3b h LEU 180 Ca 0.25 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2r3b h LEU 180 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2r3b h LEU 180 CO -0.02 1.09 -0.05 0.61 0.09 0.00 0.00 178.44 180.16 2r3b n GLY 181 N 0.53 0.59 3.62 0.83 0.00 -0.25 -4.83 105.19 105.69 2r3b n GLY 181 Ca -0.04 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 2r3b n GLY 181 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r3b s SER 182 N -2.83 3.64 0.03 1.61 0.01 -1.24 -3.23 113.70 111.69 2r3b s SER 182 Ca 0.00 -1.46 -0.21 0.00 1.31 0.00 0.00 55.95 55.59 2r3b s SER 182 Cb 0.00 -0.06 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 2r3b s SER 182 CO 0.00 -0.61 0.61 -0.89 0.41 0.00 0.00 173.24 172.76 2r3b s THR 183 N -2.88 4.81 -0.25 1.44 2.01 -0.64 -4.67 115.64 115.46 2r3b s THR 183 Ca 0.27 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.56 2r3b s THR 183 Cb 0.07 -3.95 0.04 0.00 0.01 0.00 0.00 72.50 68.67 2r3b s THR 183 CO 0.14 0.46 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.81 2r3b s ILE 184 N -0.53 2.56 -0.64 1.82 -1.09 -0.02 -0.91 121.20 122.39 2r3b s ILE 184 Ca 0.31 -1.22 -0.18 0.00 -2.23 0.00 0.00 60.65 57.33 2r3b s ILE 184 Cb -0.19 -2.34 0.12 0.00 -1.58 0.00 0.00 42.46 38.46 2r3b s ILE 184 CO 0.19 0.16 0.75 -0.69 -1.23 0.00 0.00 174.94 174.11 2r3b s VAL 185 N 1.25 4.89 -0.59 2.92 1.01 0.26 -0.91 120.40 129.24 2r3b s VAL 185 Ca -0.02 -1.20 -0.20 0.00 0.00 0.00 0.00 61.98 60.56 2r3b s VAL 185 Cb -0.17 -4.51 0.08 0.00 0.00 0.00 0.00 36.38 31.77 2r3b s VAL 185 CO -0.06 -1.15 0.78 -0.22 0.00 0.00 0.00 175.10 174.45 2r3b s LEU 186 N 2.43 4.92 0.25 3.92 2.96 0.57 -2.85 118.68 130.88 2r3b s LEU 186 Ca 0.14 -1.12 -0.30 0.00 -0.22 0.00 0.00 54.13 52.63 2r3b s LEU 186 Cb -0.21 -2.40 -0.09 0.00 0.50 0.00 0.00 46.19 43.98 2r3b s LEU 186 CO 0.03 -1.17 1.00 -0.54 -1.32 0.00 0.00 176.35 174.35 2r3b s LYS 187 N 3.16 4.78 0.00 1.98 1.02 -0.37 -2.05 119.74 128.26 2r3b s LYS 187 Ca 0.17 1.60 0.00 0.00 0.02 0.00 0.00 55.97 57.76 2r3b s LYS 187 Cb -0.20 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 2r3b s LYS 187 CO 0.09 0.41 0.00 -1.13 -0.92 0.00 0.00 175.35 173.80 2r3b n SER 188 N 1.39 0.00 0.08 2.83 3.41 -1.26 -4.10 113.62 115.97 2r3b n SER 188 Ca -0.02 -0.66 0.09 0.00 -0.26 0.00 0.00 58.87 58.03 2r3b n SER 188 Cb 0.46 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.97 2r3b n SER 188 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2r3b h HIS 189 N 0.66 0.24 -2.64 7.33 2.76 -1.94 -3.27 115.15 118.29 2r3b h HIS 189 Ca 0.00 0.01 -0.59 0.00 -2.20 0.00 0.00 60.37 57.58 2r3b h HIS 189 Cb 0.00 -0.08 -0.39 0.00 1.55 0.00 0.00 27.41 28.49 2r3b h HIS 189 CO 0.00 0.14 -0.85 1.03 -1.30 0.00 0.00 177.93 176.95 2r3b s ARG 190 N -5.26 1.00 0.37 5.26 1.81 -1.26 -4.46 118.95 116.41 2r3b s ARG 190 Ca -0.07 -1.93 -0.27 0.00 -1.72 0.00 0.00 55.73 51.74 2r3b s ARG 190 Cb 0.18 -1.75 -0.12 0.00 -0.45 0.00 0.00 34.95 32.81 2r3b s ARG 190 CO 0.71 -1.27 1.24 2.41 -0.68 0.00 0.00 175.30 177.71 2r3b n THR 191 N 3.33 2.18 -4.90 0.02 -1.04 -1.24 -4.65 114.28 107.98 2r3b n THR 191 Ca 0.18 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.42 2r3b n THR 191 Cb 0.40 -1.50 -0.16 0.00 -1.82 0.00 0.00 70.33 67.25 2r3b n THR 191 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2r3b s THR 192 N -1.14 1.54 -0.26 12.58 2.01 -0.87 -0.02 115.64 129.49 2r3b s THR 192 Ca 0.58 -0.77 -0.05 0.00 0.31 0.00 0.00 61.69 61.76 2r3b s THR 192 Cb -0.56 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 70.63 2r3b s THR 192 CO 0.61 0.44 0.01 -0.63 -0.69 0.00 0.00 174.62 174.35 2r3b s ILE 193 N 0.10 3.52 -0.14 1.82 1.01 0.46 -0.32 121.20 127.66 2r3b s ILE 193 Ca -0.06 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 2r3b s ILE 193 Cb -0.13 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 2r3b s ILE 193 CO 0.03 0.23 0.13 -0.36 0.00 0.00 0.00 174.94 174.97 2r3b s PHE 194 N 1.45 3.53 0.00 3.97 0.08 -0.08 -1.60 117.98 125.33 2r3b s PHE 194 Ca 0.03 0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.54 2r3b s PHE 194 Cb -0.16 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 2r3b s PHE 194 CO -0.01 0.60 0.00 -2.39 -0.10 0.00 0.00 175.22 173.32 2r3b n HIS 195 N 2.42 -0.62 0.31 0.36 1.44 -1.26 -0.84 115.22 117.02 2r3b n HIS 195 Ca -0.19 0.00 0.17 0.00 -2.01 0.00 0.00 57.72 55.69 2r3b n HIS 195 Cb 0.54 0.00 0.75 0.00 0.12 0.00 0.00 29.99 31.41 2r3b n HIS 195 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2r3b h ALA 196 N 2.00 1.00 -3.48 1.59 0.00 -1.96 -3.45 119.26 114.96 2r3b h ALA 196 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2r3b h ALA 196 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2r3b h ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2r3b n GLY 197 N -0.27 2.85 3.74 0.00 0.00 -1.26 -5.07 105.19 105.18 2r3b n GLY 197 Ca 0.00 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 2r3b n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r3b s GLU 198 N 0.39 4.31 0.72 1.61 2.02 -1.26 -4.97 118.70 121.51 2r3b s GLU 198 Ca 0.00 2.20 -0.15 0.00 0.02 0.00 0.00 54.97 57.05 2r3b s GLU 198 Cb 0.00 -3.16 0.03 0.00 0.10 0.00 0.00 34.13 31.11 2r3b s GLU 198 CO 0.00 -0.39 1.17 -1.25 0.02 0.00 0.00 175.26 174.82 2r3b s PRO 199 N 0.01 2.29 -0.10 0.39 0.04 -1.26 -4.70 135.00 131.67 2r3b s PRO 199 Ca 0.60 1.64 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 2r3b s PRO 199 Cb -0.40 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2r3b s PRO 199 CO 0.39 -1.69 0.05 -0.06 0.04 0.00 0.00 177.00 175.73 2r3b s PHE 200 N -2.12 3.31 -0.24 0.56 0.08 -0.63 -0.77 117.98 118.17 2r3b s PHE 200 Ca 0.72 0.29 -0.00 0.00 0.12 0.00 0.00 56.93 58.06 2r3b s PHE 200 Cb -0.26 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.37 2r3b s PHE 200 CO 0.45 0.54 -0.10 -1.14 -0.10 0.00 0.00 175.22 174.87 2r3b s GLN 201 N -0.86 2.73 0.49 0.44 2.00 0.38 -0.40 119.66 124.44 2r3b s GLN 201 Ca 0.13 -1.03 -0.21 0.00 -2.00 0.00 0.00 55.36 52.25 2r3b s GLN 201 Cb -0.12 -2.88 -0.07 0.00 0.80 0.00 0.00 33.01 30.74 2r3b s GLN 201 CO 0.03 -0.40 1.11 1.21 -0.50 0.00 0.00 175.29 176.73 2r3b s ASN 202 N 1.27 6.13 -0.01 6.67 2.47 0.97 -1.34 114.94 131.08 2r3b s ASN 202 Ca -0.01 2.14 0.04 0.00 0.42 0.00 0.00 52.86 55.45 2r3b s ASN 202 Cb -0.17 -2.58 0.11 0.00 -1.45 0.00 0.00 41.25 37.16 2r3b s ASN 202 CO -0.06 -0.94 1.08 0.35 -3.72 0.00 0.00 177.10 173.81 2r3b n THR 203 N -0.83 1.07 -4.56 -5.21 -2.24 -1.26 -4.48 114.28 96.76 2r3b n THR 203 Ca 0.09 -1.08 -0.27 0.00 -2.27 0.00 0.00 64.05 60.52 2r3b n THR 203 Cb 0.50 0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 69.11 2r3b n THR 203 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r3b n GLY 204 N -0.28 3.40 0.00 3.38 0.00 -1.26 -5.10 105.19 105.32 2r3b n GLY 204 Ca 0.04 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2r3b n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r3b n GLY 205 N -0.68 3.55 3.33 -0.02 0.00 -1.26 -4.61 105.19 105.50 2r3b n GLY 205 Ca -0.11 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 2r3b n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r3b s ASN 206 N 0.00 -0.30 0.00 1.61 2.20 -1.26 -5.00 114.94 112.19 2r3b s ASN 206 Ca 0.00 -0.04 0.14 0.00 -0.94 0.00 0.00 52.86 52.02 2r3b s ASN 206 Cb 0.00 0.45 0.68 0.00 -2.00 0.00 0.00 41.25 40.37 2r3b s ASN 206 CO 0.00 -0.72 1.40 -0.81 -2.94 0.00 0.00 177.10 174.04 2r3b n PRO 207 N 0.32 0.14 -0.18 3.55 -0.04 -1.26 -4.13 135.00 133.40 2r3b n PRO 207 Ca -0.18 0.19 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 2r3b n PRO 207 Cb 0.61 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 2r3b n PRO 207 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2r3b n GLY 208 N -0.08 1.20 3.10 0.55 0.00 -1.26 -4.81 105.19 103.89 2r3b n GLY 208 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2r3b n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3b n ALA 210 N 1.98 -2.51 -2.95 4.61 0.00 -1.26 -0.52 120.51 119.86 2r3b n ALA 210 Ca 0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 2r3b n ALA 210 Cb 0.18 -1.68 -0.09 0.00 0.00 0.00 0.00 19.45 17.86 2r3b n ALA 210 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2r3b s THR 211 N -3.02 0.10 0.19 0.00 -1.32 -1.26 -5.10 115.64 105.22 2r3b s THR 211 Ca 0.02 -0.82 -0.33 0.00 -1.21 0.00 0.00 61.69 59.35 2r3b s THR 211 Cb -0.00 -0.76 -0.13 0.00 -1.51 0.00 0.00 72.50 70.10 2r3b s THR 211 CO 0.76 -0.45 1.66 0.61 -2.21 0.00 0.00 174.62 174.98 2r3b n GLY 212 N 0.95 1.34 0.00 6.08 0.00 -1.26 -2.55 105.19 109.75 2r3b n GLY 212 Ca -0.20 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2r3b n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r3b n GLY 213 N 3.71 2.70 0.28 -0.02 0.00 -1.26 -4.78 105.19 105.81 2r3b n GLY 213 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 2r3b n GLY 213 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2r3b h THR 214 N 0.00 1.01 -0.22 2.61 2.02 -1.88 -0.28 112.91 116.17 2r3b h THR 214 Ca 0.00 -0.27 -0.17 0.00 0.77 0.00 0.00 66.41 66.73 2r3b h THR 214 Cb 0.00 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2r3b h THR 214 CO 0.00 0.15 -0.56 1.23 0.37 0.00 0.00 175.52 176.70 2r3b h GLY 215 N 0.79 0.76 0.95 2.16 0.00 -1.93 -1.97 103.07 103.82 2r3b h GLY 215 Ca 0.31 -0.89 0.02 0.00 0.00 0.00 0.00 47.33 46.77 2r3b h GLY 215 CO -0.16 0.80 0.52 -0.55 0.00 0.00 0.00 176.54 177.15 2r3b h ASP 216 N 0.53 0.88 -0.02 0.19 3.32 -1.83 -1.72 116.42 117.77 2r3b h ASP 216 Ca 0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2r3b h ASP 216 Cb 1.14 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 2r3b h ASP 216 CO 0.11 0.62 0.01 0.74 -1.72 0.00 0.00 179.24 179.01 2r3b h THR 217 N 1.04 1.03 -0.60 0.35 2.02 -0.90 -2.44 112.91 113.40 2r3b h THR 217 Ca 0.30 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.46 2r3b h THR 217 Cb -0.06 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 2r3b h THR 217 CO -0.09 0.02 0.31 0.25 0.37 0.00 0.00 175.52 176.38 2r3b h LEU 218 N -0.01 0.43 -0.93 2.58 5.85 -1.17 -1.57 115.31 120.50 2r3b h LEU 218 Ca 0.01 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2r3b h LEU 218 Cb 0.03 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2r3b h LEU 218 CO -0.00 0.28 0.61 0.00 -0.34 0.00 0.00 178.44 178.99 2r3b h ALA 219 N 1.34 1.19 -0.58 1.25 0.00 -1.20 0.03 119.26 121.30 2r3b h ALA 219 Ca 0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2r3b h ALA 219 Cb 0.21 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2r3b h ALA 219 CO -0.20 0.55 0.04 0.78 0.00 0.00 0.00 179.25 180.41 2r3b h GLY 220 N 1.24 1.05 0.96 0.00 0.00 -0.92 -1.21 103.07 104.18 2r3b h GLY 220 Ca 0.35 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2r3b h GLY 220 CO -0.09 0.66 0.20 -2.22 0.00 0.00 0.00 176.54 175.09 2r3b h ILE 221 N 0.90 1.19 -0.28 2.60 2.04 -0.71 -1.43 117.51 121.83 2r3b h ILE 221 Ca 0.17 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.47 2r3b h ILE 221 Cb 0.48 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2r3b h ILE 221 CO 0.02 0.22 0.14 0.40 0.00 0.00 0.00 178.15 178.93 2r3b h ILE 222 N 0.58 0.99 -0.31 -0.67 2.04 -0.78 0.26 117.51 119.62 2r3b h ILE 222 Ca 0.15 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2r3b h ILE 222 Cb 0.16 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2r3b h ILE 222 CO -0.02 0.05 0.19 0.00 0.00 0.00 0.00 178.15 178.37 2r3b h ALA 223 N 1.14 0.39 -0.61 1.87 0.00 -1.10 -0.70 119.26 120.25 2r3b h ALA 223 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2r3b h ALA 223 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2r3b h ALA 223 CO -0.08 -0.17 0.25 0.78 0.00 0.00 0.00 179.25 180.03 2r3b h GLY 224 N 0.38 0.94 0.80 0.00 0.00 -1.03 -1.87 103.07 102.30 2r3b h GLY 224 Ca 0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2r3b h GLY 224 CO -0.05 0.45 0.01 0.74 0.00 0.00 0.00 176.54 177.68 2r3b h PHE 225 N 0.87 0.32 0.00 5.60 -1.00 -0.52 -2.95 116.94 119.26 2r3b h PHE 225 Ca 0.21 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.91 2r3b h PHE 225 Cb 0.15 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 39.63 2r3b h PHE 225 CO 0.01 0.50 -0.10 -0.07 -1.61 0.00 0.00 178.31 177.04 2r3b h LEU 226 N 0.05 0.00 -1.05 1.54 3.38 -0.98 -0.75 115.31 117.50 2r3b h LEU 226 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2r3b h LEU 226 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2r3b h LEU 226 CO 0.01 0.10 -0.46 0.00 0.09 0.00 0.00 178.44 178.18 2r3b h ALA 227 N 1.90 1.17 0.00 1.53 0.00 -1.17 -3.38 119.26 119.32 2r3b h ALA 227 Ca -0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2r3b h ALA 227 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2r3b h ALA 227 CO 0.01 0.57 -1.49 1.04 0.00 0.00 0.00 179.25 179.39 2r3b n GLN 228 N -3.89 2.67 -3.50 0.00 6.02 -0.78 -3.44 117.38 114.47 2r3b n GLN 228 Ca -0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.76 2r3b n GLN 228 Cb 0.49 -1.18 -0.01 0.00 1.02 0.00 0.00 30.24 30.56 2r3b n GLN 228 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2r3b n PHE 229 N -2.30 -0.47 -1.92 1.08 3.72 -0.36 -4.96 117.46 112.26 2r3b n PHE 229 Ca -0.12 -1.88 -0.40 0.00 -0.05 0.00 0.00 57.45 55.00 2r3b n PHE 229 Cb 0.73 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 2r3b n PHE 229 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2r3b s LYS 230 N -3.74 3.95 -0.74 -1.08 1.02 -1.26 -4.84 119.74 113.04 2r3b s LYS 230 Ca 0.20 2.35 -0.07 0.00 0.02 0.00 0.00 55.97 58.47 2r3b s LYS 230 Cb -0.02 -2.81 -0.14 0.00 -0.52 0.00 0.00 37.83 34.35 2r3b s LYS 230 CO 0.13 -0.57 2.79 -0.35 -0.92 0.00 0.00 175.35 176.43 2r3b n PRO 231 N 0.17 2.40 -4.40 -1.68 -0.04 -1.26 -4.61 135.00 125.59 2r3b n PRO 231 Ca 0.03 -1.41 -0.20 0.00 -0.04 0.00 0.00 63.50 61.88 2r3b n PRO 231 Cb 0.42 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.45 2r3b n PRO 231 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2r3b s THR 232 N 2.12 1.64 -0.06 0.52 -4.23 -1.26 -5.03 115.64 109.33 2r3b s THR 232 Ca 0.56 -2.15 0.31 0.00 -1.18 0.00 0.00 61.69 59.22 2r3b s THR 232 Cb 0.20 -2.31 0.34 0.00 1.34 0.00 0.00 72.50 72.06 2r3b s THR 232 CO -0.03 -0.39 1.91 0.40 -0.54 0.00 0.00 174.62 175.97 2r3b h ILE 233 N 2.38 0.00 -0.47 2.99 5.03 -2.01 -1.87 117.51 123.57 2r3b h ILE 233 Ca -0.39 -0.35 0.05 0.00 -0.12 0.00 0.00 64.86 64.05 2r3b h ILE 233 Cb 1.23 1.24 -0.03 0.00 -3.03 0.00 0.00 36.82 36.23 2r3b h ILE 233 CO 0.65 0.00 0.31 -0.33 -0.68 0.00 0.00 178.15 178.11 2r3b h GLU 234 N 0.00 0.41 -0.75 2.37 3.07 -1.96 -1.32 114.58 116.41 2r3b h GLU 234 Ca 0.00 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 2r3b h GLU 234 Cb 0.40 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 2r3b h GLU 234 CO 0.00 0.27 0.35 1.15 -1.40 0.00 0.00 179.01 179.38 2r3b h THR 235 N 0.43 1.24 -0.32 1.13 2.02 -1.59 0.21 112.91 116.03 2r3b h THR 235 Ca 0.20 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 2r3b h THR 235 Cb 0.25 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2r3b h THR 235 CO -0.05 0.29 -0.01 0.40 0.37 0.00 0.00 175.52 176.52 2r3b h ILE 236 N 1.05 1.26 -0.93 3.11 2.04 -1.41 -2.54 117.51 120.10 2r3b h ILE 236 Ca 0.25 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 65.18 2r3b h ILE 236 Cb 0.13 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 2r3b h ILE 236 CO -0.03 0.32 0.61 0.00 0.00 0.00 0.00 178.15 179.05 2r3b h ALA 237 N 0.84 1.46 -0.46 1.87 0.00 -0.97 -1.88 119.26 120.12 2r3b h ALA 237 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2r3b h ALA 237 Cb 0.47 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2r3b h ALA 237 CO 0.02 0.42 0.28 0.78 0.00 0.00 0.00 179.25 180.75 2r3b h GLY 238 N 1.10 0.67 0.60 0.00 0.00 -0.71 -0.38 103.07 104.35 2r3b h GLY 238 Ca 0.39 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.48 2r3b h GLY 238 CO -0.14 0.27 -0.08 0.00 0.00 0.00 0.00 176.54 176.59 2r3b h ALA 239 N 1.13 0.05 -0.63 3.60 0.00 -1.13 -0.53 119.26 121.74 2r3b h ALA 239 Ca 0.16 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2r3b h ALA 239 Cb -0.01 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2r3b h ALA 239 CO -0.03 -0.52 0.37 0.28 0.00 0.00 0.00 179.25 179.35 2r3b h VAL 240 N -0.07 1.19 -0.27 0.00 2.07 -1.17 -1.50 116.25 116.49 2r3b h VAL 240 Ca 0.09 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2r3b h VAL 240 Cb 0.20 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2r3b h VAL 240 CO -0.19 0.20 0.06 0.22 0.02 0.00 0.00 177.57 177.87 2r3b h TYR 241 N 0.86 0.46 -0.49 1.57 3.20 -0.94 -2.89 116.97 118.74 2r3b h TYR 241 Ca 0.23 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2r3b h TYR 241 Cb -0.00 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 2r3b h TYR 241 CO -0.02 0.53 0.22 1.25 -1.64 0.00 0.00 178.16 178.51 2r3b h LEU 242 N 0.26 0.66 -0.50 2.82 5.85 -0.95 0.33 115.31 123.78 2r3b h LEU 242 Ca 0.08 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.76 2r3b h LEU 242 Cb 0.31 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 2r3b h LEU 242 CO 0.00 0.62 -0.07 -0.74 -0.34 0.00 0.00 178.44 177.91 2r3b h HIS 243 N 0.65 -0.16 -0.01 1.25 2.76 -1.24 -1.26 115.15 117.15 2r3b h HIS 243 Ca 0.17 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 58.22 2r3b h HIS 243 Cb 0.15 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 2r3b h HIS 243 CO -0.00 -0.17 -0.71 0.77 -1.30 0.00 0.00 177.93 176.51 2r3b h SER 244 N 0.05 0.09 -0.17 3.26 0.02 -1.29 -2.28 113.55 113.24 2r3b h SER 244 Ca 0.25 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 2r3b h SER 244 Cb 0.38 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2r3b h SER 244 CO -0.47 0.77 0.04 0.25 -1.14 0.00 0.00 176.83 176.29 2r3b h LEU 245 N 0.05 0.25 -0.39 5.07 5.85 -0.43 0.15 115.31 125.86 2r3b h LEU 245 Ca -0.01 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 2r3b h LEU 245 Cb 1.26 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2r3b h LEU 245 CO 0.10 0.41 0.09 0.40 -0.34 0.00 0.00 178.44 179.09 2r3b h ILE 246 N 0.08 1.23 -0.43 4.05 2.04 -1.29 -1.16 117.51 122.03 2r3b h ILE 246 Ca 0.05 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 2r3b h ILE 246 Cb 0.25 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2r3b h ILE 246 CO -0.00 0.28 -0.02 1.23 0.00 0.00 0.00 178.15 179.64 2r3b h GLY 247 N 0.49 0.77 1.07 5.37 0.00 -1.31 0.13 103.07 109.59 2r3b h GLY 247 Ca 0.12 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 2r3b h GLY 247 CO 0.00 0.47 -0.22 -0.55 0.00 0.00 0.00 176.54 176.24 2r3b h ASP 248 N 0.67 0.95 -0.19 0.19 3.32 -0.46 -1.36 116.42 119.53 2r3b h ASP 248 Ca 0.13 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 2r3b h ASP 248 Cb 0.44 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2r3b h ASP 248 CO 0.02 1.15 0.11 0.44 -1.72 0.00 0.00 179.24 179.24 2r3b h ASP 249 N 0.75 0.23 -0.16 6.45 3.32 -0.84 -2.98 116.42 123.20 2r3b h ASP 249 Ca 0.10 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 2r3b h ASP 249 Cb 0.79 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2r3b h ASP 249 CO 0.07 0.23 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.68 2r3b h LEU 250 N 0.22 0.44 -1.03 1.55 3.38 -0.85 -2.52 115.31 116.50 2r3b h LEU 250 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2r3b h LEU 250 Cb 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2r3b h LEU 250 CO -0.01 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.07 2r3b h ALA 251 N 1.50 1.00 -0.01 1.53 0.00 -1.09 -0.25 119.26 121.94 2r3b h ALA 251 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2r3b h ALA 251 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2r3b h ALA 251 CO 0.02 0.00 -0.28 0.87 0.00 0.00 0.00 179.25 179.86 2r3b h LYS 252 N 0.00 0.01 0.00 0.00 1.57 -1.40 -3.28 116.57 113.47 2r3b h LYS 252 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2r3b h LYS 252 Cb 0.27 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2r3b h LYS 252 CO 0.00 0.29 -1.47 0.25 -0.57 0.00 0.00 179.45 177.95 2r3b n THR 253 N -4.21 0.07 -4.26 -0.16 -2.24 -0.70 -5.01 114.28 97.77 2r3b n THR 253 Ca -0.02 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 2r3b n THR 253 Cb 0.33 0.17 -0.15 0.00 -2.10 0.00 0.00 70.33 68.57 2r3b n THR 253 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2r3b s ASP 254 N -3.23 3.55 0.14 3.42 1.11 -0.19 -5.03 116.67 116.44 2r3b s ASP 254 Ca -0.04 -0.53 -0.17 0.00 0.18 0.00 0.00 52.55 51.99 2r3b s ASP 254 Cb 0.06 -1.56 -0.01 0.00 1.07 0.00 0.00 42.92 42.49 2r3b s ASP 254 CO 0.40 0.03 1.76 0.22 1.18 0.00 0.00 175.17 178.77 2r3b h TYR 255 N 7.71 0.49 -4.13 4.23 3.20 -1.88 -3.39 116.97 123.20 2r3b h TYR 255 Ca -0.39 -0.00 -0.69 0.00 3.14 0.00 0.00 58.73 60.78 2r3b h TYR 255 Cb 1.17 -0.16 -0.26 0.00 1.54 0.00 0.00 36.73 39.01 2r3b h TYR 255 CO 0.51 0.36 -0.81 0.54 -1.64 0.00 0.00 178.16 177.12 2r3b s VAL 256 N -5.96 2.69 -0.46 1.81 0.11 -1.26 -4.41 120.40 112.92 2r3b s VAL 256 Ca -0.13 -0.86 -0.16 0.00 -2.93 0.00 0.00 61.98 57.90 2r3b s VAL 256 Cb 0.10 -2.03 0.05 0.00 -1.53 0.00 0.00 36.38 32.98 2r3b s VAL 256 CO 0.73 0.58 0.42 -0.69 -3.33 0.00 0.00 175.10 172.80 2r3b s VAL 257 N -0.56 5.17 0.10 2.04 1.01 0.32 -5.02 120.40 123.46 2r3b s VAL 257 Ca 0.08 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 2r3b s VAL 257 Cb -0.11 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 2r3b s VAL 257 CO 0.01 -0.53 1.74 -0.76 0.00 0.00 0.00 175.10 175.55 2r3b s LEU 258 N 1.87 4.38 0.43 3.92 1.43 -1.26 -4.88 118.68 124.57 2r3b s LEU 258 Ca 0.07 2.64 0.12 0.00 -1.03 0.00 0.00 54.13 55.93 2r3b s LEU 258 Cb -0.21 -3.57 1.00 0.00 0.03 0.00 0.00 46.19 43.44 2r3b s LEU 258 CO 0.09 -0.94 2.00 -0.65 0.23 0.00 0.00 176.35 177.08 2r3b h PRO 259 N 8.32 0.42 0.00 1.29 0.11 -1.89 -0.00 132.00 140.24 2r3b h PRO 259 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2r3b h PRO 259 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2r3b h PRO 259 CO 0.94 0.28 -0.10 1.79 -0.21 0.00 0.00 178.00 180.70 2r3b h THR 260 N 0.43 0.62 0.00 -1.15 1.35 -1.92 -2.05 112.91 110.19 2r3b h THR 260 Ca 0.24 -0.43 -0.08 0.00 -0.55 0.00 0.00 66.41 65.60 2r3b h THR 260 Cb 0.41 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 2r3b h THR 260 CO -0.07 0.10 -0.38 0.11 -0.25 0.00 0.00 175.52 175.03 2r3b h LYS 261 N 0.00 0.00 -0.08 4.72 1.57 -1.36 -1.71 116.57 119.71 2r3b h LYS 261 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2r3b h LYS 261 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2r3b h LYS 261 CO 0.01 0.38 -0.00 0.82 -0.57 0.00 0.00 179.45 180.09 2r3b h ILE 262 N 0.00 1.25 -0.60 1.86 2.04 -1.42 -2.60 117.51 118.04 2r3b h ILE 262 Ca -0.00 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.11 2r3b h ILE 262 Cb 0.68 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 2r3b h ILE 262 CO 0.05 0.22 0.32 0.28 0.00 0.00 0.00 178.15 179.02 2r3b h SER 263 N -0.14 0.46 0.53 1.72 0.02 -1.33 -2.40 113.55 112.40 2r3b h SER 263 Ca 0.02 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2r3b h SER 263 Cb 0.35 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2r3b h SER 263 CO 0.00 0.30 -0.15 1.56 -1.14 0.00 0.00 176.83 177.41 2r3b h GLN 264 N 0.59 0.00 0.00 3.45 4.20 -1.25 -2.11 115.11 119.99 2r3b h GLN 264 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2r3b h GLN 264 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2r3b h GLN 264 CO -0.18 0.15 -0.10 0.00 -0.67 0.00 0.00 178.83 178.03 2r3b n ALA 265 N -2.26 2.50 -0.05 3.87 0.00 -0.91 -4.37 120.51 119.28 2r3b n ALA 265 Ca -0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 2r3b n ALA 265 Cb 0.29 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 2r3b n ALA 265 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2r3b h LEU 266 N 0.00 -0.12 -1.04 0.00 3.38 -1.27 -2.25 115.31 114.02 2r3b h LEU 266 Ca 0.00 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2r3b h LEU 266 Cb 0.57 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2r3b h LEU 266 CO 0.00 -0.03 0.64 -0.65 0.09 0.00 0.00 178.44 178.49 2r3b h PRO 267 N 0.06 1.18 -0.24 1.13 0.11 -1.76 -2.86 132.00 129.61 2r3b h PRO 267 Ca 0.11 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 65.97 2r3b h PRO 267 Cb 0.15 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 30.99 2r3b h PRO 267 CO -0.20 0.78 -0.53 1.79 -0.21 0.00 0.00 178.00 179.63 2r3b h THR 268 N 1.21 1.29 0.00 -1.15 1.35 -1.82 -2.64 112.91 111.15 2r3b h THR 268 Ca 0.41 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 2r3b h THR 268 Cb 0.07 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2r3b h THR 268 CO -0.14 0.56 0.00 -1.22 -0.25 0.00 0.00 175.52 174.47 2r3b n TYR 269 N -4.07 0.00 0.00 4.73 4.02 -0.86 -2.88 117.16 118.09 2r3b n TYR 269 Ca -0.05 -0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 2r3b n TYR 269 Cb 0.62 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 2r3b n TYR 269 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2r3b n LYS 271 N 0.70 0.00 -0.12 -0.72 3.00 -1.00 -2.96 118.16 117.06 2r3b n LYS 271 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 2r3b n LYS 271 Cb 0.12 0.00 0.13 0.00 0.00 0.00 0.00 35.03 35.28 2r3b n LYS 271 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2r3b h LYS 272 N 0.00 0.83 0.00 1.64 3.64 -1.82 -3.06 116.57 117.80 2r3b h LYS 272 Ca 0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2r3b h LYS 272 Cb 0.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2r3b h LYS 272 CO 0.00 0.85 -0.71 0.66 -2.27 0.00 0.00 179.45 177.98 2r3b n TYR 273 N -4.19 0.08 -1.68 1.91 4.01 -1.16 -4.95 117.16 111.18 2r3b n TYR 273 Ca 0.02 0.02 -0.46 0.00 -0.16 0.00 0.00 57.90 57.32 2r3b n TYR 273 Cb 0.33 -0.25 -0.04 0.00 -0.31 0.00 0.00 39.34 39.06 2r3b n TYR 273 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2r3b n ALA 274 N -1.58 1.25 -2.07 -0.72 0.00 -1.16 -4.34 120.51 111.89 2r3b n ALA 274 Ca 0.04 0.33 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 2r3b n ALA 274 Cb 0.36 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 2r3b n ALA 274 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2r3b s GLN 275 N 2.94 3.01 0.00 0.00 -1.52 0.11 -4.78 119.66 119.42 2r3b s GLN 275 Ca 0.87 0.93 0.29 0.00 -1.95 0.00 0.00 55.36 55.51 2r3b s GLN 275 Cb -0.64 -4.27 1.36 0.00 -0.22 0.00 0.00 33.01 29.24 2r3b s GLN 275 CO 0.45 -2.26 1.92 -0.35 -0.25 0.00 0.00 175.29 174.80