#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3b s ASN -5 N 0.00 4.31 -0.20 -1.84 0.01 -1.26 -5.00 114.94 110.95 2r3b s ASN -5 Ca 0.00 2.57 -0.03 0.00 -0.71 0.00 0.00 52.86 54.70 2r3b s ASN -5 Cb 0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 2r3b s ASN -5 CO 0.00 -2.20 -0.07 -0.76 -1.51 0.00 0.00 177.10 172.55 2r3b s LEU -4 N -4.72 2.78 0.03 0.60 1.02 -1.26 -5.10 118.68 112.03 2r3b s LEU -4 Ca 0.81 -0.41 0.04 0.00 0.02 0.00 0.00 54.13 54.59 2r3b s LEU -4 Cb -0.36 -1.69 -0.04 0.00 0.02 0.00 0.00 46.19 44.13 2r3b s LEU -4 CO 0.43 0.01 -0.06 -0.31 0.02 0.00 0.00 176.35 176.44 2r3b s TYR -3 N 1.29 2.88 -0.08 0.29 2.02 -1.26 -5.10 117.35 117.39 2r3b s TYR -3 Ca 0.03 -0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 2r3b s TYR -3 Cb -0.14 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 2r3b s TYR -3 CO -0.03 0.40 -0.15 -0.06 -1.57 0.00 0.00 175.55 174.14 2r3b s PHE -2 N -1.09 2.73 0.31 2.71 0.08 -1.26 -5.00 117.98 116.46 2r3b s PHE -2 Ca 0.19 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 56.93 2r3b s PHE -2 Cb -0.11 -1.71 0.50 0.00 -0.57 0.00 0.00 43.02 41.13 2r3b s PHE -2 CO 0.10 -0.00 1.72 0.37 -0.10 0.00 0.00 175.22 177.32 2r3b h GLN -1 N 5.94 0.19 -4.05 0.44 4.15 -2.04 -3.45 115.11 116.29 2r3b h GLN -1 Ca -0.37 -0.09 -0.77 0.00 0.77 0.00 0.00 58.65 58.19 2r3b h GLN -1 Cb 1.18 -0.00 -0.24 0.00 0.21 0.00 0.00 27.48 28.62 2r3b h GLN -1 CO 0.52 0.57 0.17 0.20 -1.93 0.00 0.00 178.83 178.36 2r3b s GLY 0 N -4.24 2.48 0.00 2.39 0.00 -1.26 -5.16 107.32 101.54 2r3b s GLY 0 Ca -0.04 -3.14 -0.02 0.00 0.00 0.00 0.00 44.72 41.52 2r3b s GLY 0 CO 0.76 1.37 0.02 -1.60 0.00 0.00 0.00 173.10 173.65 2r3b s ARG 2 N 0.72 0.24 -0.21 2.90 3.52 0.54 -4.20 118.95 122.46 2r3b s ARG 2 Ca 0.18 -0.32 -0.03 0.00 -0.13 0.00 0.00 55.73 55.43 2r3b s ARG 2 Cb -0.12 0.09 -0.00 0.00 -1.56 0.00 0.00 34.95 33.36 2r3b s ARG 2 CO -0.07 -0.04 -0.07 0.71 -0.81 0.00 0.00 175.30 175.02 2r3b s TYR 3 N -0.88 2.93 0.46 5.12 2.02 -1.26 0.10 117.35 125.83 2r3b s TYR 3 Ca -0.10 -1.04 -0.22 0.00 -0.37 0.00 0.00 57.07 55.34 2r3b s TYR 3 Cb -0.06 -2.07 -0.08 0.00 -0.40 0.00 0.00 41.96 39.35 2r3b s TYR 3 CO -0.00 -0.58 1.11 -0.51 -1.57 0.00 0.00 175.55 174.00 2r3b s LEU 4 N 1.43 3.98 0.00 -1.29 1.43 -0.43 -4.96 118.68 118.84 2r3b s LEU 4 Ca 0.05 2.17 -0.01 0.00 -1.03 0.00 0.00 54.13 55.32 2r3b s LEU 4 Cb -0.14 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.76 2r3b s LEU 4 CO -0.05 -0.84 0.43 -1.54 0.23 0.00 0.00 176.35 174.58 2r3b n SER 5 N -0.57 -1.20 0.33 2.29 3.41 -1.26 -4.38 113.62 112.24 2r3b n SER 5 Ca 0.08 -2.78 0.20 0.00 -0.26 0.00 0.00 58.87 56.10 2r3b n SER 5 Cb 0.49 2.27 1.05 0.00 -0.26 0.00 0.00 64.21 67.77 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 -0.64 4.33 1.57 -1.99 -1.92 116.57 117.92 2r3b h LYS 6 Ca -0.25 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.65 2r3b h LYS 6 Cb 1.10 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.37 2r3b h LYS 6 CO 0.34 0.00 0.43 -0.44 -0.57 0.00 0.00 179.45 179.21 2r3b h ASP 7 N 0.00 0.36 -0.22 0.86 3.32 -1.98 -1.47 116.42 117.29 2r3b h ASP 7 Ca 0.00 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 2r3b h ASP 7 Cb 0.27 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2r3b h ASP 7 CO -0.00 0.21 -0.09 -0.29 -1.72 0.00 0.00 179.24 177.35 2r3b h ILE 8 N 0.39 1.23 -0.32 0.35 6.09 -1.76 -1.95 117.51 121.55 2r3b h ILE 8 Ca 0.30 -1.01 -0.14 0.00 -1.37 0.00 0.00 64.86 62.64 2r3b h ILE 8 Cb 0.65 1.07 -0.00 0.00 0.47 0.00 0.00 36.82 39.00 2r3b h ILE 8 CO -0.08 0.34 -0.34 -0.07 -3.07 0.00 0.00 178.15 174.93 2r3b h LEU 9 N 0.54 0.85 -1.16 2.19 3.38 -1.44 -1.12 115.31 118.55 2r3b h LEU 9 Ca 0.10 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 2r3b h LEU 9 Cb 0.48 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2r3b h LEU 9 CO 0.03 1.15 -0.15 -0.33 0.09 0.00 0.00 178.44 179.23 2r3b h GLU 10 N 0.56 0.41 -0.22 1.13 5.08 -1.34 -0.63 114.58 119.57 2r3b h GLU 10 Ca 0.05 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 2r3b h GLU 10 Cb 0.92 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2r3b h GLU 10 CO 0.08 0.55 -0.35 1.49 -1.00 0.00 0.00 179.01 179.78 2r3b h GLU 11 N 0.38 0.62 0.11 2.33 4.81 -1.14 -3.37 114.58 118.33 2r3b h GLU 11 Ca 0.07 -0.38 -0.26 0.00 -0.13 0.00 0.00 59.36 58.66 2r3b h GLU 11 Cb 0.48 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2r3b h GLU 11 CO 0.03 0.99 -1.30 0.28 -0.73 0.00 0.00 179.01 178.28 2r3b h VAL 12 N 0.31 1.11 -2.88 0.32 2.07 -0.92 -3.44 116.25 112.81 2r3b h VAL 12 Ca 0.02 -2.41 -0.61 0.00 0.82 0.00 0.00 66.70 64.51 2r3b h VAL 12 Cb 0.94 2.78 -0.12 0.00 -1.52 0.00 0.00 31.29 33.37 2r3b h VAL 12 CO 0.08 0.69 0.62 -0.63 0.02 0.00 0.00 177.57 178.36 2r3b s ILE 13 N -2.46 4.28 0.36 4.57 1.01 -0.27 -4.77 121.20 123.91 2r3b s ILE 13 Ca -0.19 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 2r3b s ILE 13 Cb 0.04 -4.65 -0.05 0.00 0.01 0.00 0.00 42.46 37.81 2r3b s ILE 13 CO 0.77 -1.34 0.67 0.42 0.00 0.00 0.00 174.94 175.45 2r3b s THR 14 N 4.23 4.92 0.24 2.92 -4.23 -1.26 0.16 115.64 122.62 2r3b s THR 14 Ca 0.28 0.25 -0.30 0.00 -1.18 0.00 0.00 61.69 60.74 2r3b s THR 14 Cb -0.14 -3.76 -0.09 0.00 1.34 0.00 0.00 72.50 69.85 2r3b s THR 14 CO 0.15 -0.48 1.28 -1.10 -0.54 0.00 0.00 174.62 173.93 2r3b s GLN 15 N -3.87 4.42 0.20 3.99 -0.21 -1.21 -4.76 119.66 118.22 2r3b s GLN 15 Ca 0.47 2.05 -0.30 0.00 0.02 0.00 0.00 55.36 57.60 2r3b s GLN 15 Cb -0.10 -3.17 -0.08 0.00 1.00 0.00 0.00 33.01 30.65 2r3b s GLN 15 CO 0.33 -0.17 1.14 1.03 -2.12 0.00 0.00 175.29 175.50 2r3b s ARG 16 N -0.64 4.56 0.45 2.91 0.52 -1.26 -5.00 118.95 120.48 2r3b s ARG 16 Ca 0.53 1.80 -0.25 0.00 -0.52 0.00 0.00 55.73 57.30 2r3b s ARG 16 Cb -0.36 -3.24 -0.08 0.00 0.52 0.00 0.00 34.95 31.78 2r3b s ARG 16 CO 0.42 0.03 1.38 -2.14 0.02 0.00 0.00 175.30 175.01 2r3b s PRO 17 N -0.55 3.70 0.30 3.54 0.02 -1.26 -4.92 135.00 135.83 2r3b s PRO 17 Ca 0.50 2.32 0.06 0.00 0.02 0.00 0.00 61.00 63.90 2r3b s PRO 17 Cb -0.31 -2.64 0.76 0.00 0.02 0.00 0.00 34.50 32.34 2r3b s PRO 17 CO 0.37 -0.77 1.75 0.77 -0.33 0.00 0.00 177.00 178.79 2r3b h SER 18 N 2.32 0.68 -0.33 2.53 0.02 -2.06 -2.31 113.55 114.40 2r3b h SER 18 Ca -0.51 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2r3b h SER 18 Cb 1.26 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2r3b h SER 18 CO 0.61 0.18 0.00 0.47 -1.14 0.00 0.00 176.83 176.96 2r3b n ASP 19 N -4.85 2.66 -4.77 3.07 9.92 -1.26 -4.96 116.55 116.36 2r3b n ASP 19 Ca 0.24 -2.22 -0.37 0.00 -0.53 0.00 0.00 54.79 51.91 2r3b n ASP 19 Cb 0.62 -0.41 0.01 0.00 -0.64 0.00 0.00 41.12 40.70 2r3b n ASP 19 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2r3b s SER 20 N -0.71 5.75 0.35 -2.24 0.01 -0.87 -5.07 113.70 110.92 2r3b s SER 20 Ca 0.26 2.36 0.05 0.00 1.31 0.00 0.00 55.95 59.93 2r3b s SER 20 Cb 0.17 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.73 2r3b s SER 20 CO 0.13 -1.21 0.04 -0.31 0.41 0.00 0.00 173.24 172.30 2r3b s TYR 21 N -1.57 2.13 0.35 2.43 2.02 -1.26 -5.04 117.35 116.41 2r3b s TYR 21 Ca 0.69 -0.87 0.06 0.00 -0.37 0.00 0.00 57.07 56.59 2r3b s TYR 21 Cb -0.30 -1.43 0.72 0.00 -0.40 0.00 0.00 41.96 40.56 2r3b s TYR 21 CO 0.34 0.15 1.92 1.57 -1.57 0.00 0.00 175.55 177.96 2r3b h LYS 22 N 2.02 0.77 0.00 -0.62 2.10 -1.98 0.41 116.57 119.27 2r3b h LYS 22 Ca -0.42 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 2r3b h LYS 22 Cb 1.24 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2r3b h LYS 22 CO 0.73 0.51 -0.06 0.66 -2.00 0.00 0.00 179.45 179.29 2r3b h SER 23 N 0.79 0.00 0.19 7.07 4.64 -1.90 -0.42 113.55 123.92 2r3b h SER 23 Ca 0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2r3b h SER 23 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2r3b h SER 23 CO -0.15 0.06 -0.01 0.78 -0.87 0.00 0.00 176.83 176.64 2r3b h ASN 24 N 0.00 0.00 -0.55 4.97 -0.26 -1.31 -2.31 115.58 116.12 2r3b h ASN 24 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2r3b h ASN 24 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 2r3b h ASN 24 CO 0.01 0.01 0.00 0.49 -1.06 0.00 0.00 177.43 176.88 2r3b n PHE 25 N -3.24 0.96 0.00 1.19 3.72 -0.17 -4.83 117.46 115.08 2r3b n PHE 25 Ca -0.02 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 2r3b n PHE 25 Cb 0.12 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.98 0.89 3.54 1.37 0.00 -0.87 -1.52 105.19 109.59 2r3b n GLY 26 Ca 0.21 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.95 3.85 -0.08 1.61 0.52 -1.26 -1.57 118.95 118.06 2r3b s ARG 27 Ca 0.00 -0.38 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 2r3b s ARG 27 Cb 0.00 -3.51 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 2r3b s ARG 27 CO 0.00 -0.16 -0.08 0.08 0.02 0.00 0.00 175.30 175.17 2r3b s VAL 28 N 1.62 3.61 -0.16 3.52 1.01 -0.06 -0.30 120.40 129.65 2r3b s VAL 28 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2r3b s VAL 28 Cb -0.15 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2r3b s VAL 28 CO 0.08 0.58 -0.16 -0.69 0.00 0.00 0.00 175.10 174.91 2r3b s VAL 29 N -0.61 2.56 -0.17 2.92 1.01 -0.13 -1.13 120.40 124.85 2r3b s VAL 29 Ca 0.09 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 2r3b s VAL 29 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2r3b s VAL 29 CO 0.02 0.51 -0.01 -0.76 0.00 0.00 0.00 175.10 174.86 2r3b s LEU 30 N 0.98 3.34 -0.15 3.92 1.02 -0.07 -0.73 118.68 126.98 2r3b s LEU 30 Ca -0.02 -0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.01 2r3b s LEU 30 Cb -0.15 -1.82 0.03 0.00 0.02 0.00 0.00 46.19 44.27 2r3b s LEU 30 CO -0.03 0.14 -0.12 -0.63 0.02 0.00 0.00 176.35 175.73 2r3b s ILE 31 N 0.52 1.48 -3.04 -0.59 1.01 0.17 -0.40 121.20 120.34 2r3b s ILE 31 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2r3b s ILE 31 Cb -0.14 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.88 2r3b s ILE 31 CO 0.02 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.95 2r3b n GLY 32 N 4.79 -1.27 1.74 6.18 0.00 -0.62 -1.10 105.19 114.91 2r3b n GLY 32 Ca -0.16 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.29 0.00 -0.02 0.00 -0.17 -4.03 105.19 99.69 2r3b n GLY 33 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.34 -0.11 0.20 1.61 6.94 0.16 -2.50 115.26 121.22 2r3b n ASN 34 Ca 0.02 -0.31 0.13 0.00 -0.02 0.00 0.00 54.58 54.40 2r3b n ASN 34 Cb 0.07 0.00 0.25 0.00 -2.36 0.00 0.00 39.78 37.74 2r3b n ASN 34 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2r3b h ARG 35 N 0.00 0.00 0.10 -3.83 3.08 -1.95 -2.68 114.38 109.10 2r3b h ARG 35 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 2r3b h ARG 35 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2r3b h ARG 35 CO 0.00 0.00 -1.99 0.94 -1.07 0.00 0.00 179.97 177.85 2r3b n GLN 36 N -2.92 0.74 -0.78 0.04 7.27 -1.26 -4.56 117.38 115.90 2r3b n GLN 36 Ca 0.04 0.26 -0.04 0.00 0.07 0.00 0.00 57.00 57.33 2r3b n GLN 36 Cb 0.49 -1.71 0.22 0.00 2.41 0.00 0.00 30.24 31.65 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 -3.41 1.37 0.28 3.69 4.01 -1.21 -4.73 117.16 117.17 2r3b n TYR 37 Ca -0.31 -1.43 0.12 0.00 -0.16 0.00 0.00 57.90 56.13 2r3b n TYR 37 Cb 1.05 -0.52 0.79 0.00 -0.31 0.00 0.00 39.34 40.35 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 1.30 0.00 1.75 2.72 0.00 -1.72 -2.14 103.07 104.97 2r3b h GLY 38 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.58 2r3b h GLY 38 CO 0.46 0.00 0.11 -1.33 0.00 0.00 0.00 176.54 175.78 2r3b h GLY 39 N 0.04 0.11 0.97 4.60 0.00 -1.89 -2.38 103.07 104.51 2r3b h GLY 39 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2r3b h GLY 39 CO 0.00 0.03 0.22 0.00 0.00 0.00 0.00 176.54 176.79 2r3b h ALA 40 N 1.91 0.48 -0.00 3.60 0.00 -1.72 -2.46 119.26 121.07 2r3b h ALA 40 Ca 0.07 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2r3b h ALA 40 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2r3b h ALA 40 CO -0.01 -0.01 -0.63 0.97 0.00 0.00 0.00 179.25 179.57 2r3b h ILE 41 N 0.49 1.45 0.00 0.00 6.09 -1.59 -1.88 117.51 122.06 2r3b h ILE 41 Ca 0.13 -2.15 0.00 0.00 -1.37 0.00 0.00 64.86 61.47 2r3b h ILE 41 Cb 0.03 2.16 0.00 0.00 0.47 0.00 0.00 36.82 39.48 2r3b h ILE 41 CO -0.02 0.61 0.00 -0.38 -3.07 0.00 0.00 178.15 175.29 2r3b n ILE 42 N -3.79 0.05 0.00 2.19 5.41 -0.93 -1.22 119.36 121.07 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 0.62 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 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 0.58 0.00 -0.12 4.38 7.64 -0.71 -1.87 113.62 123.52 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 0.05 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.22 -0.84 0.44 2.02 -1.44 -0.37 112.91 113.93 2r3b h THR 45 Ca 0.00 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 2r3b h THR 45 Cb 0.00 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 2r3b h THR 45 CO 0.00 0.25 0.46 -0.08 0.37 0.00 0.00 175.52 176.52 2r3b h GLU 46 N 0.43 1.17 -0.21 6.66 4.81 -1.64 -1.05 114.58 124.75 2r3b h GLU 46 Ca 0.11 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2r3b h GLU 46 Cb 0.28 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2r3b h GLU 46 CO -0.00 0.86 0.13 0.00 -0.73 0.00 0.00 179.01 179.27 2r3b h ALA 47 N 1.25 0.27 -0.10 2.92 0.00 -1.80 -1.94 119.26 119.85 2r3b h ALA 47 Ca 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2r3b h ALA 47 Cb 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2r3b h ALA 47 CO -0.05 -0.22 0.06 0.00 0.00 0.00 0.00 179.25 179.04 2r3b h ILE 49 N 0.10 1.05 0.00 0.00 2.04 -1.23 -2.91 117.51 116.56 2r3b h ILE 49 Ca 0.04 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2r3b h ILE 49 Cb 0.03 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2r3b h ILE 49 CO -0.01 0.04 -0.14 0.78 0.00 0.00 0.00 178.15 178.82 2r3b h ASN 50 N 0.16 0.00 1.06 1.72 2.35 -1.18 -2.10 115.58 117.58 2r3b h ASN 50 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2r3b h ASN 50 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2r3b h ASN 50 CO -0.01 0.14 0.00 0.77 -1.65 0.00 0.00 177.43 176.68 2r3b h SER 51 N 0.00 0.00 0.00 5.81 4.64 -0.86 -3.32 113.55 119.82 2r3b h SER 51 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r3b h SER 51 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2r3b h SER 51 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2r3b n GLY 52 N 0.26 1.19 3.71 -0.77 0.00 -0.79 -4.83 105.19 103.95 2r3b n GLY 52 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.25 1.43 -0.07 4.61 0.00 -1.14 -4.90 120.51 119.20 2r3b n ALA 53 Ca 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.67 2r3b n ALA 53 Cb 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.11 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 2.75 0.51 -5.80 0.00 0.00 -0.94 -3.45 103.07 96.14 2r3b h GLY 54 Ca -0.46 -0.53 -0.28 0.00 0.00 0.00 0.00 47.33 46.05 2r3b h GLY 54 CO 0.64 0.48 -0.73 1.08 0.00 0.00 0.00 176.54 178.00 2r3b s LEU 55 N -9.04 1.72 -0.08 3.11 1.43 -0.61 -4.88 118.68 110.32 2r3b s LEU 55 Ca -0.14 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2r3b s LEU 55 Cb 0.06 -0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.19 2r3b s LEU 55 CO 0.78 -0.02 -0.09 -0.89 0.23 0.00 0.00 176.35 176.35 2r3b s THR 56 N 0.31 1.02 -0.04 5.49 2.01 -1.26 -0.88 115.64 122.30 2r3b s THR 56 Ca -0.03 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 61.68 2r3b s THR 56 Cb -0.05 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 2r3b s THR 56 CO -0.01 0.35 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.13 2r3b s THR 57 N 1.13 2.14 -0.17 -0.82 2.01 -0.29 -4.47 115.64 115.17 2r3b s THR 57 Ca -0.06 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.88 2r3b s THR 57 Cb -0.14 -1.76 0.00 0.00 0.01 0.00 0.00 72.50 70.61 2r3b s THR 57 CO -0.02 0.58 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.64 2r3b s VAL 58 N -0.43 2.51 -0.41 3.82 1.01 -1.26 -0.90 120.40 124.74 2r3b s VAL 58 Ca 0.05 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 2r3b s VAL 58 Cb -0.12 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.22 2r3b s VAL 58 CO 0.01 0.52 0.32 -0.63 0.00 0.00 0.00 175.10 175.32 2r3b s ILE 59 N 1.00 5.23 0.17 2.22 1.01 0.46 -0.52 121.20 130.77 2r3b s ILE 59 Ca -0.02 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 2r3b s ILE 59 Cb -0.15 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.42 2r3b s ILE 59 CO -0.04 -0.32 0.51 0.28 0.00 0.00 0.00 174.94 175.37 2r3b s THR 60 N 1.75 0.03 0.31 2.92 -1.32 -0.73 -1.59 115.64 117.01 2r3b s THR 60 Ca 0.06 -0.53 -0.29 0.00 -1.21 0.00 0.00 61.69 59.72 2r3b s THR 60 Cb -0.19 -1.33 -0.13 0.00 -1.51 0.00 0.00 72.50 69.35 2r3b s THR 60 CO 0.11 -0.14 1.31 -0.67 -2.21 0.00 0.00 174.62 173.02 2r3b n ASP 61 N -0.32 2.71 0.19 8.08 -0.08 -1.04 -3.62 116.55 122.48 2r3b n ASP 61 Ca -0.13 1.19 0.18 0.00 -1.51 0.00 0.00 54.79 54.51 2r3b n ASP 61 Cb 0.63 -1.46 0.82 0.00 2.34 0.00 0.00 41.12 43.45 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 2.67 0.45 -1.00 5.18 3.04 -1.92 0.48 116.25 125.15 2r3b h VAL 62 Ca -0.45 0.00 0.20 0.00 -1.01 0.00 0.00 66.70 65.44 2r3b h VAL 62 Cb 1.28 0.81 -0.11 0.00 -2.01 0.00 0.00 31.29 31.26 2r3b h VAL 62 CO 0.66 0.00 0.61 0.50 -1.01 0.00 0.00 177.57 178.33 2r3b h LYS 63 N 0.00 0.69 -0.01 4.17 3.64 -1.97 -2.22 116.57 120.87 2r3b h LYS 63 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2r3b h LYS 63 Cb 0.57 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2r3b h LYS 63 CO -0.00 0.45 -0.08 0.09 -2.27 0.00 0.00 179.45 177.64 2r3b n ASN 64 N -4.78 0.59 0.05 4.20 3.02 0.16 -4.33 115.26 114.17 2r3b n ASN 64 Ca 0.24 -0.81 -0.06 0.00 -0.03 0.00 0.00 54.58 53.91 2r3b n ASN 64 Cb 0.62 -0.04 0.11 0.00 -0.61 0.00 0.00 39.78 39.86 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 0.81 0.48 0.68 3.10 3.86 -1.50 -2.47 115.15 120.11 2r3b h HIS 65 Ca 0.00 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.01 2r3b h HIS 65 Cb 0.33 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.71 2r3b h HIS 65 CO 0.00 0.84 -0.33 0.78 0.86 0.00 0.00 177.93 180.08 2r3b h GLY 66 N 1.24 -0.96 1.58 2.45 0.00 -1.78 -1.03 103.07 104.57 2r3b h GLY 66 Ca 0.01 0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 2r3b h GLY 66 CO 0.09 -0.35 0.15 -0.56 0.00 0.00 0.00 176.54 175.87 2r3b h PRO 67 N -1.16 0.54 0.09 4.80 0.13 -1.84 -0.96 132.00 133.60 2r3b h PRO 67 Ca -0.09 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2r3b h PRO 67 Cb 0.73 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 2r3b h PRO 67 CO 0.15 0.46 -0.07 1.25 -0.23 0.00 0.00 178.00 179.56 2r3b h LEU 68 N 0.54 -0.18 -1.71 1.56 6.46 -1.39 -2.33 115.31 118.26 2r3b h LEU 68 Ca 0.13 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 2r3b h LEU 68 Cb 0.12 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2r3b h LEU 68 CO -0.01 -0.11 -0.17 0.45 -0.62 0.00 0.00 178.44 177.97 2r3b h HIS 69 N -0.17 0.00 -0.44 1.25 3.86 -0.89 0.50 115.15 119.27 2r3b h HIS 69 Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2r3b h HIS 69 Cb 0.16 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2r3b h HIS 69 CO -0.10 0.17 0.02 0.00 0.86 0.00 0.00 177.93 178.89 2r3b h ALA 70 N 1.83 1.22 0.07 2.45 0.00 -0.74 -3.06 119.26 121.03 2r3b h ALA 70 Ca -0.00 -0.23 -0.34 0.00 0.00 0.00 0.00 54.91 54.34 2r3b h ALA 70 Cb 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2r3b h ALA 70 CO 0.02 0.52 -1.90 0.54 0.00 0.00 0.00 179.25 178.43 2r3b n ARG 71 N -4.25 0.71 -3.22 0.00 1.74 -0.92 -4.76 116.66 105.96 2r3b n ARG 71 Ca 0.02 0.27 -0.24 0.00 -0.77 0.00 0.00 57.85 57.13 2r3b n ARG 71 Cb 0.27 -1.74 -0.07 0.00 -1.02 0.00 0.00 32.46 29.90 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 1.40 0.14 0.25 0.00 -0.04 -1.16 -1.93 135.00 133.66 2r3b n PRO 73 Ca 0.22 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 64.31 2r3b n PRO 73 Cb 0.52 -1.84 0.64 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.92 -3.50 114.58 112.77 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 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2r3b h GLU 74 CO 0.00 0.14 0.00 0.00 -1.40 0.00 0.00 179.01 177.75 2r3b n ALA 75 N -2.22 0.00 -3.64 3.43 0.00 -0.81 -4.66 120.51 112.61 2r3b n ALA 75 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 2r3b n ALA 75 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 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 0.09 0.00 -0.04 0.00 -7.23 -1.26 -4.97 120.40 106.99 2r3b s VAL 77 Ca 0.00 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.19 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 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.02 2r3b s VAL 78 N 0.57 0.75 0.59 1.32 1.01 0.32 -4.94 120.40 120.03 2r3b s VAL 78 Ca -0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 2r3b s VAL 78 Cb -0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2r3b s VAL 78 CO -0.11 0.26 0.97 -0.83 0.00 0.00 0.00 175.10 175.39 2r3b s GLY 79 N 0.59 1.62 0.55 4.51 0.00 -1.26 -1.78 107.32 111.56 2r3b s GLY 79 Ca -0.10 -0.21 0.23 0.00 0.00 0.00 0.00 44.72 44.65 2r3b s GLY 79 CO 0.01 0.04 2.20 0.74 0.00 0.00 0.00 173.10 176.09 2r3b h PHE 80 N -0.19 0.00 -0.02 1.90 0.04 -1.93 -2.24 116.94 114.50 2r3b h PHE 80 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 2r3b h PHE 80 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 2r3b h PHE 80 CO 0.63 0.01 -0.00 0.39 -0.60 0.00 0.00 178.31 178.74 2r3b n GLU 81 N -4.18 1.76 -2.36 1.51 -0.58 -1.26 -4.57 120.64 110.96 2r3b n GLU 81 Ca -0.03 -1.11 -0.43 0.00 -0.42 0.00 0.00 57.16 55.17 2r3b n GLU 81 Cb 0.09 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 0.35 3.51 -0.15 3.49 1.02 -0.84 -4.84 120.64 123.18 2r3b n GLU 82 Ca 0.18 -3.48 -0.09 0.00 -0.02 0.00 0.00 57.16 53.76 2r3b n GLU 82 Cb 0.39 -2.98 0.00 0.00 -0.02 0.00 0.00 31.44 28.83 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 3.91 1.20 -0.30 2.62 2.02 -1.85 0.12 112.91 120.62 2r3b h THR 83 Ca 0.40 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 2r3b h THR 83 Cb 0.67 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2r3b h THR 83 CO 1.60 0.22 -0.01 0.58 0.37 0.00 0.00 175.52 178.28 2r3b h VAL 84 N 0.58 1.26 -0.37 3.16 2.07 -1.98 -2.24 116.25 118.72 2r3b h VAL 84 Ca 0.15 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 2r3b h VAL 84 Cb 0.16 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2r3b h VAL 84 CO -0.01 0.31 0.03 0.25 0.02 0.00 0.00 177.57 178.16 2r3b h LEU 85 N 0.33 0.61 -1.16 2.57 5.85 -1.88 -1.61 115.31 120.02 2r3b h LEU 85 Ca 0.09 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 2r3b h LEU 85 Cb 0.45 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2r3b h LEU 85 CO 0.02 0.75 -0.06 0.17 -0.34 0.00 0.00 178.44 178.98 2r3b h LEU 86 N 0.46 0.49 -0.52 2.25 8.10 -0.97 -0.79 115.31 124.33 2r3b h LEU 86 Ca 0.11 -0.11 -0.16 0.00 0.11 0.00 0.00 57.88 57.84 2r3b h LEU 86 Cb 0.41 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.50 2r3b h LEU 86 CO 0.01 0.60 -0.50 0.71 -4.11 0.00 0.00 178.44 175.15 2r3b h THR 87 N 0.49 1.31 -0.17 0.15 1.35 -1.16 -1.88 112.91 112.98 2r3b h THR 87 Ca 0.10 -1.71 0.02 0.00 -0.55 0.00 0.00 66.41 64.26 2r3b h THR 87 Cb 0.40 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 2r3b h THR 87 CO 0.02 0.54 0.06 -1.13 -0.25 0.00 0.00 175.52 174.76 2r3b h ASN 88 N 0.50 0.06 -0.31 5.36 -1.24 -0.90 -1.31 115.58 117.74 2r3b h ASN 88 Ca 0.02 0.02 -0.10 0.00 0.71 0.00 0.00 56.30 56.95 2r3b h ASN 88 Cb 1.04 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 40.09 2r3b h ASN 88 CO 0.10 0.06 -0.17 -0.37 -1.29 0.00 0.00 177.43 175.76 2r3b h VAL 89 N 0.14 1.26 -0.58 2.57 -1.51 -1.02 -1.60 116.25 115.52 2r3b h VAL 89 Ca 0.07 -1.25 -0.02 0.00 -1.23 0.00 0.00 66.70 64.27 2r3b h VAL 89 Cb 0.05 1.14 -0.03 0.00 -2.13 0.00 0.00 31.29 30.32 2r3b h VAL 89 CO -0.08 0.42 0.27 0.58 -1.23 0.00 0.00 177.57 177.54 2r3b h VAL 90 N 0.68 1.21 -0.72 7.19 2.07 -1.25 -2.33 116.25 123.10 2r3b h VAL 90 Ca 0.10 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2r3b h VAL 90 Cb 0.66 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2r3b h VAL 90 CO 0.05 0.24 0.48 -0.08 0.02 0.00 0.00 177.57 178.28 2r3b h GLU 91 N 0.79 0.93 0.00 1.57 4.22 -0.83 -2.34 114.58 118.93 2r3b h GLU 91 Ca 0.20 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.58 2r3b h GLU 91 Cb 0.13 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2r3b h GLU 91 CO -0.02 0.62 -0.24 1.04 -2.18 0.00 0.00 179.01 178.22 2r3b n GLN 92 N -4.43 0.02 -2.38 1.92 6.02 -0.64 -4.94 117.38 112.95 2r3b n GLN 92 Ca 0.08 0.01 -0.36 0.00 -0.01 0.00 0.00 57.00 56.72 2r3b n GLN 92 Cb 0.05 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 29.78 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 -3.01 2.92 -0.01 -1.58 0.00 -0.88 -4.87 121.76 114.33 2r3b s ALA 93 Ca 0.12 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.87 2r3b s ALA 93 Cb 0.18 -3.33 -0.27 0.00 0.00 0.00 0.00 23.12 19.71 2r3b s ALA 93 CO 0.61 -0.50 0.79 -0.44 0.00 0.00 0.00 175.76 176.22 2r3b h ASP 94 N 1.89 0.32 -3.64 0.00 3.32 -0.99 -3.46 116.42 113.86 2r3b h ASP 94 Ca -0.49 -0.49 -0.35 0.00 0.02 0.00 0.00 57.03 55.72 2r3b h ASP 94 Cb 1.24 -0.10 -0.32 0.00 0.22 0.00 0.00 39.33 40.36 2r3b h ASP 94 CO 0.60 1.42 -0.76 -0.69 -1.72 0.00 0.00 179.24 178.09 2r3b s VAL 95 N -2.61 0.36 -0.12 -1.35 1.01 -1.02 -1.91 120.40 114.75 2r3b s VAL 95 Ca -0.10 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2r3b s VAL 95 Cb 0.07 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.09 2r3b s VAL 95 CO 0.84 0.15 -0.22 -0.63 0.00 0.00 0.00 175.10 175.24 2r3b s ILE 96 N 0.54 1.99 -0.18 2.22 1.01 -0.00 -0.96 121.20 125.82 2r3b s ILE 96 Ca -0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 2r3b s ILE 96 Cb -0.09 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 2r3b s ILE 96 CO -0.01 0.54 -0.08 -0.22 0.00 0.00 0.00 174.94 175.17 2r3b s LEU 97 N 0.67 2.81 -0.07 2.97 2.96 0.09 -0.08 118.68 128.04 2r3b s LEU 97 Ca -0.11 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2r3b s LEU 97 Cb -0.16 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.85 2r3b s LEU 97 CO 0.02 0.05 -0.18 -0.51 -1.32 0.00 0.00 176.35 174.41 2r3b s ILE 98 N 1.04 1.55 0.00 6.68 2.07 -0.33 0.42 121.20 132.62 2r3b s ILE 98 Ca -0.00 -0.74 0.00 0.00 -1.41 0.00 0.00 60.65 58.50 2r3b s ILE 98 Cb -0.15 -1.36 0.00 0.00 0.13 0.00 0.00 42.46 41.09 2r3b s ILE 98 CO -0.01 0.45 0.00 0.61 -1.91 0.00 0.00 174.94 174.08 2r3b n GLY 99 N 3.50 4.79 3.68 1.50 0.00 -0.26 -0.98 105.19 117.43 2r3b n GLY 99 Ca -0.20 -0.79 -0.48 0.00 0.00 0.00 0.00 46.02 44.55 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 2.17 -1.34 1.61 -0.02 -1.26 -1.71 135.00 134.45 2r3b n PRO 100 Ca 0.00 0.79 -0.12 0.00 -2.02 0.00 0.00 63.50 62.16 2r3b n PRO 100 Cb 0.00 -2.63 -0.05 0.00 -0.02 0.00 0.00 33.50 30.80 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 4.33 1.17 0.16 -1.23 0.00 -1.26 -1.00 105.19 107.36 2r3b n GLY 101 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 0.18 0.00 0.99 5.85 -1.65 0.56 115.31 121.24 2r3b h LEU 102 Ca -0.24 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2r3b h LEU 102 Cb 1.06 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2r3b h LEU 102 CO 0.35 0.74 0.00 0.61 -0.34 0.00 0.00 178.44 179.80 2r3b n GLY 103 N 0.24 -1.83 0.19 3.75 0.00 -1.26 -4.43 105.19 101.85 2r3b n GLY 103 Ca -0.02 -1.34 0.03 0.00 0.00 0.00 0.00 46.02 44.69 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 0.99 -4.96 0.99 4.77 -1.26 -4.71 117.00 112.82 2r3b n LEU 104 Ca 0.00 -1.54 -0.27 0.00 -0.03 0.00 0.00 56.01 54.17 2r3b n LEU 104 Cb 0.00 -0.12 0.15 0.00 -2.33 0.00 0.00 43.42 41.13 2r3b n LEU 104 CO 0.00 0.37 0.73 1.51 -1.33 0.00 0.00 177.39 178.67 2r3b s ASP 105 N -1.31 3.62 0.29 -1.43 1.47 -1.26 -4.82 116.67 113.23 2r3b s ASP 105 Ca 0.09 -0.08 -0.00 0.00 1.18 0.00 0.00 52.55 53.74 2r3b s ASP 105 Cb 0.08 -0.09 0.44 0.00 -0.34 0.00 0.00 42.92 43.01 2r3b s ASP 105 CO 0.01 -2.37 1.85 0.00 0.68 0.00 0.00 175.17 175.34 2r3b h ALA 106 N -1.15 1.27 -0.64 2.11 0.00 -1.99 -1.54 119.26 117.32 2r3b h ALA 106 Ca -0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 2r3b h ALA 106 Cb 1.25 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2r3b h ALA 106 CO 0.37 0.52 0.31 1.15 0.00 0.00 0.00 179.25 181.60 2r3b h THR 107 N 0.79 1.22 -0.81 0.00 2.02 -1.99 -0.79 112.91 113.35 2r3b h THR 107 Ca 0.18 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.78 2r3b h THR 107 Cb 0.24 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 2r3b h THR 107 CO -0.01 0.25 0.52 0.00 0.37 0.00 0.00 175.52 176.65 2r3b h ALA 108 N 1.14 1.07 -0.65 6.16 0.00 -1.65 -1.37 119.26 123.96 2r3b h ALA 108 Ca 0.22 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2r3b h ALA 108 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2r3b h ALA 108 CO -0.03 0.33 0.07 1.96 0.00 0.00 0.00 179.25 181.58 2r3b h GLN 109 N 1.00 1.11 -0.48 0.00 4.20 -1.13 -1.64 115.11 118.17 2r3b h GLN 109 Ca 0.33 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2r3b h GLN 109 Cb 0.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2r3b h GLN 109 CO -0.12 1.04 0.21 0.37 -0.67 0.00 0.00 178.83 179.66 2r3b h GLN 110 N 1.03 0.71 -0.23 1.46 4.15 -0.74 -1.22 115.11 120.28 2r3b h GLN 110 Ca 0.19 -0.12 -0.19 0.00 0.77 0.00 0.00 58.65 59.31 2r3b h GLN 110 Cb 0.49 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.06 2r3b h GLN 110 CO 0.02 0.63 -0.60 0.82 -1.93 0.00 0.00 178.83 177.77 2r3b h ILE 111 N 0.64 1.29 -0.38 2.39 2.04 -1.14 -3.02 117.51 119.33 2r3b h ILE 111 Ca 0.16 -1.81 0.02 0.00 1.00 0.00 0.00 64.86 64.23 2r3b h ILE 111 Cb 0.17 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 2r3b h ILE 111 CO -0.02 0.58 0.21 0.25 0.00 0.00 0.00 178.15 179.18 2r3b h LEU 112 N 0.57 0.33 -1.02 1.44 5.85 -1.21 -0.28 115.31 120.99 2r3b h LEU 112 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2r3b h LEU 112 Cb 1.19 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2r3b h LEU 112 CO 0.12 0.24 0.00 1.17 -0.34 0.00 0.00 178.44 179.64 2r3b n LYS 113 N -4.89 0.00 0.00 1.25 4.81 -0.47 -1.32 118.16 117.54 2r3b n LYS 113 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2r3b n LYS 113 Cb 0.07 -0.84 0.00 0.00 0.02 0.00 0.00 35.03 34.28 2r3b n LYS 113 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2r3b n VAL 115 N 0.35 0.00 -0.24 3.15 0.31 -0.12 -1.57 118.33 120.21 2r3b n VAL 115 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 2r3b n VAL 115 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 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 1.04 -1.07 7.52 3.38 -1.46 -1.40 115.31 123.32 2r3b h LEU 116 Ca 0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 2r3b h LEU 116 Cb 0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2r3b h LEU 116 CO 0.00 1.01 0.07 0.00 0.09 0.00 0.00 178.44 179.62 2r3b h ALA 117 N 1.07 1.24 0.00 1.53 0.00 -1.53 -3.08 119.26 118.49 2r3b h ALA 117 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2r3b h ALA 117 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2r3b h ALA 117 CO 0.00 0.52 -0.78 0.00 0.00 0.00 0.00 179.25 178.99 2r3b n GLN 118 N -4.27 0.19 -1.67 0.00 -0.00 -1.14 -4.98 117.38 105.51 2r3b n GLN 118 Ca 0.03 0.02 -0.60 0.00 -0.00 0.00 0.00 57.00 56.45 2r3b n GLN 118 Cb 0.24 -1.58 -0.08 0.00 -0.00 0.00 0.00 30.24 28.82 2r3b n GLN 118 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2r3b n HIS 119 N -1.84 1.67 -3.95 2.61 -0.00 -0.54 -4.93 115.22 108.23 2r3b n HIS 119 Ca 0.03 0.81 -0.29 0.00 0.46 0.00 0.00 57.72 58.74 2r3b n HIS 119 Cb 0.40 -2.32 -0.04 0.00 -0.12 0.00 0.00 29.99 27.92 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 2.33 3.36 0.46 1.57 -0.21 -1.26 -4.87 119.66 121.04 2r3b s GLN 120 Ca 0.97 -0.54 0.15 0.00 0.02 0.00 0.00 55.36 55.95 2r3b s GLN 120 Cb -1.21 -2.96 1.06 0.00 1.00 0.00 0.00 33.01 30.90 2r3b s GLN 120 CO 0.66 0.57 2.03 -0.22 -2.12 0.00 0.00 175.29 176.21 2r3b h LYS 121 N 2.74 0.01 0.00 2.91 3.64 -1.97 -0.90 116.57 123.00 2r3b h LYS 121 Ca -0.46 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2r3b h LYS 121 Cb 1.17 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2r3b h LYS 121 CO 0.72 0.14 -0.20 0.00 -2.27 0.00 0.00 179.45 177.84 2r3b n GLN 122 N -4.38 0.19 -3.06 1.90 0.00 -1.26 -4.87 117.38 105.91 2r3b n GLN 122 Ca -0.03 0.12 -0.39 0.00 0.00 0.00 0.00 57.00 56.70 2r3b n GLN 122 Cb 0.21 -1.69 -0.05 0.00 0.00 0.00 0.00 30.24 28.70 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 -3.09 4.45 0.18 2.61 -0.21 -0.34 -4.97 119.66 118.28 2r3b s GLN 123 Ca 0.10 0.98 -0.28 0.00 0.02 0.00 0.00 55.36 56.19 2r3b s GLN 123 Cb 0.14 -3.33 -0.08 0.00 1.00 0.00 0.00 33.01 30.75 2r3b s GLN 123 CO 0.62 0.39 0.86 -1.58 -2.12 0.00 0.00 175.29 173.47 2r3b s TRP 124 N -0.41 3.92 -0.13 0.91 0.52 -0.80 -4.79 118.94 118.15 2r3b s TRP 124 Ca 0.35 1.75 0.00 0.00 0.02 0.00 0.00 56.10 58.23 2r3b s TRP 124 Cb -0.20 -2.89 0.02 0.00 -1.15 0.00 0.00 33.47 29.25 2r3b s TRP 124 CO 0.22 0.44 -0.12 -1.17 0.02 0.00 0.00 176.95 176.35 2r3b s LEU 125 N -0.96 1.50 -0.20 2.99 2.96 -0.42 -0.82 118.68 123.74 2r3b s LEU 125 Ca 0.39 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 2r3b s LEU 125 Cb -0.24 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 2r3b s LEU 125 CO 0.29 -0.07 0.01 -0.63 -1.32 0.00 0.00 176.35 174.62 2r3b s ILE 126 N 1.50 4.06 -0.24 6.68 1.01 0.89 -0.35 121.20 134.75 2r3b s ILE 126 Ca 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 2r3b s ILE 126 Cb -0.13 -2.84 0.02 0.00 0.01 0.00 0.00 42.46 39.52 2r3b s ILE 126 CO -0.09 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.60 2r3b s ILE 127 N 0.94 2.97 0.12 2.92 1.01 0.71 -1.19 121.20 128.68 2r3b s ILE 127 Ca 0.02 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 59.82 2r3b s ILE 127 Cb -0.14 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 2r3b s ILE 127 CO 0.02 0.24 -0.18 -0.62 0.00 0.00 0.00 174.94 174.41 2r3b s ASP 128 N 1.36 2.30 1.37 3.58 2.15 -0.15 -1.91 116.67 125.37 2r3b s ASP 128 Ca 0.01 -0.74 0.00 0.00 0.43 0.00 0.00 52.55 52.25 2r3b s ASP 128 Cb -0.16 -0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.35 2r3b s ASP 128 CO -0.04 -0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.54 2r3b n GLY 129 N 0.82 3.23 0.30 2.66 0.00 -1.26 -1.61 105.19 109.32 2r3b n GLY 129 Ca -0.17 -0.11 0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 1.07 0.00 0.26 1.61 4.64 -1.88 -0.94 113.55 118.31 2r3b h SER 130 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 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 0.04 -0.25 0.00 -0.87 0.00 0.00 176.83 175.75 2r3b h ALA 131 N 1.96 1.56 -0.22 5.18 0.00 -1.53 -0.56 119.26 125.65 2r3b h ALA 131 Ca -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2r3b h ALA 131 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2r3b h ALA 131 CO 0.00 0.31 -0.01 0.82 0.00 0.00 0.00 179.25 180.38 2r3b h ILE 132 N 0.00 1.26 -0.37 0.00 2.04 -1.20 0.02 117.51 119.27 2r3b h ILE 132 Ca -0.00 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 64.98 2r3b h ILE 132 Cb 0.44 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2r3b h ILE 132 CO 0.03 0.28 0.18 0.74 0.00 0.00 0.00 178.15 179.38 2r3b h THR 133 N 0.15 0.98 -0.46 -0.27 2.02 -1.42 -1.25 112.91 112.66 2r3b h THR 133 Ca 0.06 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2r3b h THR 133 Cb 0.41 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2r3b h THR 133 CO 0.01 0.07 0.23 -0.07 0.37 0.00 0.00 175.52 176.13 2r3b h LEU 134 N 0.37 0.59 -0.43 2.58 3.38 -1.07 -1.08 115.31 119.65 2r3b h LEU 134 Ca 0.15 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2r3b h LEU 134 Cb 0.06 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2r3b h LEU 134 CO -0.11 0.54 0.18 0.15 0.09 0.00 0.00 178.44 179.29 2r3b h PHE 135 N 0.60 0.32 -0.50 1.13 3.04 -0.74 -1.38 116.94 119.42 2r3b h PHE 135 Ca 0.16 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.01 2r3b h PHE 135 Cb 0.10 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 2r3b h PHE 135 CO -0.01 0.14 -0.17 0.77 -2.02 0.00 0.00 178.31 177.02 2r3b h SER 136 N 0.36 1.00 1.13 0.41 0.02 -1.01 -3.20 113.55 112.27 2r3b h SER 136 Ca 0.20 -0.36 -0.15 0.00 -0.84 0.00 0.00 61.79 60.64 2r3b h SER 136 Cb 0.16 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2r3b h SER 136 CO -0.18 1.14 -0.73 1.56 -1.14 0.00 0.00 176.83 177.49 2r3b h GLN 137 N 0.86 0.00 0.00 3.45 4.20 -1.09 -3.46 115.11 119.07 2r3b h GLN 137 Ca 0.12 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.58 2r3b h GLN 137 Cb 0.73 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.58 2r3b h GLN 137 CO 0.06 0.73 0.12 0.41 -0.67 0.00 0.00 178.83 179.47 2r3b n GLY 138 N 1.10 0.03 2.75 3.46 0.00 -0.53 -4.97 105.19 107.03 2r3b n GLY 138 Ca 0.01 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 2r3b n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2r3b n ASN 139 N -3.12 6.75 -4.87 1.61 5.15 -1.26 -4.96 115.26 114.56 2r3b n ASN 139 Ca 0.09 -3.73 -0.35 0.00 -0.60 0.00 0.00 54.58 49.99 2r3b n ASN 139 Cb 0.33 -0.99 -0.05 0.00 -0.53 0.00 0.00 39.78 38.53 2r3b n ASN 139 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2r3b s PHE 140 N -4.07 3.59 0.16 1.20 0.08 -1.26 -5.07 117.98 112.62 2r3b s PHE 140 Ca 0.45 0.69 -0.00 0.00 0.12 0.00 0.00 56.93 58.18 2r3b s PHE 140 Cb 0.29 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 2r3b s PHE 140 CO -0.22 0.58 0.06 -1.54 -0.10 0.00 0.00 175.22 174.01 2r3b s SER 141 N -1.65 0.54 -0.24 1.36 1.04 -1.26 -4.97 113.70 108.53 2r3b s SER 141 Ca 0.29 -1.25 -0.04 0.00 0.48 0.00 0.00 55.95 55.42 2r3b s SER 141 Cb -0.14 0.26 -0.00 0.00 0.10 0.00 0.00 66.02 66.25 2r3b s SER 141 CO 0.16 -0.72 -0.02 -0.76 0.98 0.00 0.00 173.24 172.88 2r3b s LEU 142 N -3.12 3.14 0.06 2.42 1.43 -1.26 -4.89 118.68 116.45 2r3b s LEU 142 Ca 0.28 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.71 2r3b s LEU 142 Cb 0.07 -1.76 -0.20 0.00 0.03 0.00 0.00 46.19 44.33 2r3b s LEU 142 CO 0.05 -0.07 1.21 0.74 0.23 0.00 0.00 176.35 178.51 2r3b h THR 143 N 5.80 1.34 -2.49 5.49 2.02 -1.94 -3.38 112.91 119.75 2r3b h THR 143 Ca -0.38 -2.02 -0.60 0.00 0.77 0.00 0.00 66.41 64.18 2r3b h THR 143 Cb 1.15 2.28 -0.42 0.00 -1.74 0.00 0.00 68.15 69.42 2r3b h THR 143 CO 0.60 0.62 -0.65 -1.22 0.37 0.00 0.00 175.52 175.23 2r3b n TYR 144 N -4.07 2.94 0.29 3.16 4.01 -1.26 -4.96 117.16 117.27 2r3b n TYR 144 Ca -0.09 -4.12 0.15 0.00 -0.16 0.00 0.00 57.90 53.69 2r3b n TYR 144 Cb 0.72 -0.52 0.88 0.00 -0.31 0.00 0.00 39.34 40.11 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 4.65 0.00 0.00 -0.72 0.13 -1.83 -1.68 132.00 132.55 2r3b h PRO 145 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2r3b h PRO 145 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2r3b h PRO 145 CO 0.74 0.05 0.00 -0.85 -0.23 0.00 0.00 178.00 177.71 2r3b n GLU 146 N -3.64 0.16 -0.51 0.86 0.00 -1.17 -1.80 120.64 114.53 2r3b n GLU 146 Ca -0.02 0.33 0.08 0.00 0.00 0.00 0.00 57.16 57.55 2r3b n GLU 146 Cb 0.15 -1.77 0.29 0.00 0.00 0.00 0.00 31.44 30.10 2r3b n GLU 146 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2r3b n LYS 147 N -2.07 3.44 -4.66 3.44 4.76 -0.63 -4.82 118.16 117.62 2r3b n LYS 147 Ca 0.03 -2.77 -0.33 0.00 -2.87 0.00 0.00 58.31 52.37 2r3b n LYS 147 Cb 0.26 -1.83 -0.13 0.00 -1.84 0.00 0.00 35.03 31.49 2r3b n LYS 147 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2r3b s VAL 148 N -2.28 3.44 -0.14 -0.18 1.01 -0.74 -1.30 120.40 120.21 2r3b s VAL 148 Ca 0.43 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2r3b s VAL 148 Cb 0.31 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 34.27 2r3b s VAL 148 CO 0.15 0.54 -0.21 -0.69 0.00 0.00 0.00 175.10 174.89 2r3b s VAL 149 N -0.08 1.98 -0.09 2.92 1.01 0.52 -1.57 120.40 125.09 2r3b s VAL 149 Ca -0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2r3b s VAL 149 Cb -0.13 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2r3b s VAL 149 CO 0.03 0.53 0.09 -0.36 0.00 0.00 0.00 175.10 175.39 2r3b s PHE 150 N 0.88 3.42 -0.56 5.22 0.40 -0.04 -0.21 117.98 127.08 2r3b s PHE 150 Ca -0.06 0.37 0.05 0.00 -0.60 0.00 0.00 56.93 56.70 2r3b s PHE 150 Cb -0.15 -1.86 0.35 0.00 0.51 0.00 0.00 43.02 41.86 2r3b s PHE 150 CO -0.03 0.62 0.95 0.25 0.70 0.00 0.00 175.22 177.72 2r3b n THR 151 N 1.91 2.89 -2.65 0.64 -2.24 -0.80 -0.03 114.28 114.00 2r3b n THR 151 Ca -0.18 -5.49 -0.36 0.00 -2.27 0.00 0.00 64.05 55.75 2r3b n THR 151 Cb 0.54 -1.34 -0.05 0.00 -2.10 0.00 0.00 70.33 67.39 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 -3.44 4.25 1.02 -0.78 0.04 -1.14 -4.44 135.00 130.51 2r3b s PRO 152 Ca 0.48 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 2r3b s PRO 152 Cb 0.29 -2.50 0.21 0.00 0.04 0.00 0.00 34.50 32.54 2r3b s PRO 152 CO -0.14 -0.04 1.19 -1.01 0.04 0.00 0.00 177.00 177.04 2r3b s HIS 153 N -1.77 1.56 -0.43 0.56 3.76 -1.26 -1.13 115.29 116.58 2r3b s HIS 153 Ca 0.57 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 2r3b s HIS 153 Cb -0.18 -3.67 0.00 0.00 1.11 0.00 0.00 32.58 29.84 2r3b s HIS 153 CO 0.23 -2.94 0.03 1.04 -0.85 0.00 0.00 174.74 172.26 2r3b n GLN 154 N -4.07 0.04 0.00 1.40 6.02 -1.26 -1.43 117.38 118.08 2r3b n GLN 154 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2r3b n GLN 154 Cb 0.59 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.57 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 0.77 0.00 -0.13 -1.09 1.02 -1.26 -1.50 120.64 118.45 2r3b n GLU 156 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2r3b n GLU 156 Cb 0.02 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.49 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 1.00 -0.60 -0.32 -0.00 -1.55 -0.06 115.95 114.42 2r3b h TRP 157 Ca 0.00 -0.22 0.02 0.00 -0.00 0.00 0.00 58.89 58.69 2r3b h TRP 157 Cb 0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 28.88 2r3b h TRP 157 CO 0.00 0.99 0.38 0.37 -0.00 0.00 0.00 178.44 180.18 2r3b h GLN 158 N 0.78 0.74 -0.08 2.65 4.15 -1.42 0.67 115.11 122.61 2r3b h GLN 158 Ca 0.11 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 2r3b h GLN 158 Cb 0.71 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 2r3b h GLN 158 CO 0.05 0.49 0.05 0.00 -1.93 0.00 0.00 178.83 177.50 2r3b h ARG 159 N 0.77 0.11 -0.11 1.69 3.08 -1.77 0.33 114.38 118.48 2r3b h ARG 159 Ca 0.23 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 2r3b h ARG 159 Cb -0.03 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2r3b h ARG 159 CO -0.07 0.12 -0.32 1.25 -1.07 0.00 0.00 179.97 179.88 2r3b h LEU 160 N 0.07 0.46 0.00 3.04 5.85 -0.59 -3.33 115.31 120.81 2r3b h LEU 160 Ca 0.03 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.15 2r3b h LEU 160 Cb 0.04 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2r3b h LEU 160 CO -0.01 0.98 -0.88 0.77 -0.34 0.00 0.00 178.44 178.96 2r3b h SER 161 N -0.03 0.00 -0.20 1.25 4.64 0.28 -3.48 113.55 116.00 2r3b h SER 161 Ca -0.01 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.11 2r3b h SER 161 Cb 0.94 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 2r3b h SER 161 CO 0.07 0.06 -0.08 1.41 -0.87 0.00 0.00 176.83 177.42 2r3b n HIS 162 N -2.41 0.00 -3.07 4.77 8.25 0.10 -5.01 115.22 117.85 2r3b n HIS 162 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 2r3b n HIS 162 Cb 0.50 -1.59 -0.06 0.00 1.12 0.00 0.00 29.99 29.96 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 -0.95 4.12 0.77 2.41 1.43 -1.23 -5.01 118.68 120.22 2r3b s LEU 163 Ca 0.00 0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 53.48 2r3b s LEU 163 Cb 0.00 -2.88 0.06 0.00 0.03 0.00 0.00 46.19 43.40 2r3b s LEU 163 CO 0.00 -0.50 1.18 -2.16 0.23 0.00 0.00 176.35 175.10 2r3b s PRO 164 N 2.68 1.91 0.19 1.29 0.04 -1.26 -4.12 135.00 135.73 2r3b s PRO 164 Ca 0.27 1.66 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 2r3b s PRO 164 Cb -0.15 -1.82 0.19 0.00 0.04 0.00 0.00 34.50 32.77 2r3b s PRO 164 CO 0.12 -1.99 1.66 0.82 0.04 0.00 0.00 177.00 177.65 2r3b h ILE 165 N -0.70 0.53 -1.07 0.56 1.08 -1.97 0.39 117.51 116.33 2r3b h ILE 165 Ca -0.46 -0.02 0.32 0.00 -0.39 0.00 0.00 64.86 64.31 2r3b h ILE 165 Cb 1.28 0.47 -0.13 0.00 -3.07 0.00 0.00 36.82 35.37 2r3b h ILE 165 CO 0.48 0.01 0.65 1.05 -0.69 0.00 0.00 178.15 179.65 2r3b h GLU 166 N 0.06 0.32 -0.21 2.37 4.11 -2.02 -1.22 114.58 117.99 2r3b h GLU 166 Ca 0.26 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.67 2r3b h GLU 166 Cb 0.40 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2r3b h GLU 166 CO -0.49 0.21 0.00 1.04 0.07 0.00 0.00 179.01 179.84 2r3b n GLN 167 N -4.86 1.68 -1.92 1.06 1.13 0.14 -4.66 117.38 109.95 2r3b n GLN 167 Ca 0.31 -1.04 -0.41 0.00 -1.94 0.00 0.00 57.00 53.92 2r3b n GLN 167 Cb 1.01 -1.34 -0.01 0.00 0.11 0.00 0.00 30.24 30.02 2r3b n GLN 167 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2r3b n GLN 168 N 0.28 4.05 -2.52 -1.09 6.02 -0.46 -4.73 117.38 118.94 2r3b n GLN 168 Ca 0.14 -3.16 -0.27 0.00 -0.01 0.00 0.00 57.00 53.70 2r3b n GLN 168 Cb 0.29 -2.79 0.01 0.00 1.02 0.00 0.00 30.24 28.78 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 0.21 4.45 0.19 5.09 -4.23 -1.26 -4.82 115.64 115.27 2r3b s THR 169 Ca 0.53 0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 61.04 2r3b s THR 169 Cb 0.16 -3.72 0.17 0.00 1.34 0.00 0.00 72.50 70.46 2r3b s THR 169 CO -0.06 -0.73 1.64 0.25 -0.54 0.00 0.00 174.62 175.18 2r3b h LEU 170 N 0.06 -0.58 -0.40 4.79 6.46 -1.99 0.29 115.31 123.95 2r3b h LEU 170 Ca -0.46 0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.42 2r3b h LEU 170 Cb 1.22 0.36 -0.02 0.00 -0.73 0.00 0.00 40.66 41.50 2r3b h LEU 170 CO 0.61 -0.20 0.06 0.00 -0.62 0.00 0.00 178.44 178.30 2r3b h ALA 171 N 1.46 0.53 -0.48 1.25 0.00 -1.96 -0.11 119.26 119.96 2r3b h ALA 171 Ca 0.26 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2r3b h ALA 171 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2r3b h ALA 171 CO -0.57 0.25 -0.21 -0.91 0.00 0.00 0.00 179.25 177.81 2r3b h ASN 172 N 0.52 1.01 -0.34 0.00 2.35 -1.71 -1.49 115.58 115.92 2r3b h ASN 172 Ca 0.12 -0.39 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2r3b h ASN 172 Cb 0.37 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2r3b h ASN 172 CO 0.01 1.18 0.21 0.78 -1.65 0.00 0.00 177.43 177.95 2r3b h ASN 173 N 0.84 0.40 -0.85 5.81 2.35 -0.32 -1.78 115.58 122.03 2r3b h ASN 173 Ca 0.11 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2r3b h ASN 173 Cb 0.79 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 2r3b h ASN 173 CO 0.07 0.33 0.42 -0.61 -1.65 0.00 0.00 177.43 175.99 2r3b h GLN 174 N 0.44 1.21 -0.69 0.81 5.75 -0.87 -1.18 115.11 120.59 2r3b h GLN 174 Ca 0.12 -0.17 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 2r3b h GLN 174 Cb -0.00 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.30 2r3b h GLN 174 CO -0.02 0.92 0.22 -0.09 -2.65 0.00 0.00 178.83 177.21 2r3b h ARG 175 N 1.20 1.06 0.00 1.69 2.43 -0.86 -1.55 114.38 118.36 2r3b h ARG 175 Ca 0.29 -0.22 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 2r3b h ARG 175 Cb 0.09 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2r3b h ARG 175 CO -0.04 0.91 -0.54 1.96 -1.51 0.00 0.00 179.97 180.76 2r3b h GLN 176 N 1.00 0.00 -0.13 0.20 1.08 -0.99 -2.04 115.11 114.22 2r3b h GLN 176 Ca 0.22 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2r3b h GLN 176 Cb 0.29 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2r3b h GLN 176 CO -0.01 0.54 0.07 0.37 -0.95 0.00 0.00 178.83 178.85 2r3b h GLN 177 N 0.00 0.19 -0.99 1.46 -0.00 -0.89 -2.70 115.11 112.18 2r3b h GLN 177 Ca -0.01 -0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.67 2r3b h GLN 177 Cb 1.10 -0.04 -0.06 0.00 0.00 0.00 0.00 27.48 28.49 2r3b h GLN 177 CO 0.07 0.21 0.64 0.00 0.00 0.00 0.00 178.83 179.75 2r3b h ALA 178 N 0.97 1.40 -0.86 3.38 0.00 -1.04 0.40 119.26 123.49 2r3b h ALA 178 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2r3b h ALA 178 Cb 0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2r3b h ALA 178 CO -0.01 0.48 0.42 -0.22 0.00 0.00 0.00 179.25 179.93 2r3b h LYS 179 N 1.19 1.24 -0.01 0.00 3.64 -1.30 -2.85 116.57 118.49 2r3b h LYS 179 Ca 0.41 -0.18 -0.25 0.00 -1.27 0.00 0.00 60.65 59.36 2r3b h LYS 179 Cb 0.10 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2r3b h LYS 179 CO -0.15 0.94 -0.99 -0.07 -2.27 0.00 0.00 179.45 176.92 2r3b h LEU 180 N 1.23 0.77 0.03 5.20 3.38 -1.01 -3.48 115.31 121.43 2r3b h LEU 180 Ca 0.30 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2r3b h LEU 180 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2r3b h LEU 180 CO -0.04 1.40 -0.01 0.61 0.09 0.00 0.00 178.44 180.49 2r3b n GLY 181 N 1.00 0.44 3.68 0.83 0.00 0.13 -4.80 105.19 106.48 2r3b n GLY 181 Ca -0.09 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.91 4.09 -0.01 1.61 0.01 -1.23 -3.04 113.70 112.22 2r3b s SER 182 Ca 0.00 -1.33 -0.21 0.00 1.31 0.00 0.00 55.95 55.72 2r3b s SER 182 Cb 0.00 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 2r3b s SER 182 CO 0.00 -0.56 0.60 -0.89 0.41 0.00 0.00 173.24 172.80 2r3b s THR 183 N -2.71 4.92 -0.27 1.44 2.01 -0.61 -4.64 115.64 115.79 2r3b s THR 183 Ca 0.32 1.25 -0.02 0.00 0.31 0.00 0.00 61.69 63.55 2r3b s THR 183 Cb 0.07 -3.93 0.04 0.00 0.01 0.00 0.00 72.50 68.68 2r3b s THR 183 CO 0.17 0.41 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.84 2r3b s ILE 184 N -0.12 2.91 -0.71 1.82 -1.09 0.04 -0.86 121.20 123.19 2r3b s ILE 184 Ca 0.31 -1.21 -0.19 0.00 -2.23 0.00 0.00 60.65 57.34 2r3b s ILE 184 Cb -0.18 -2.58 0.12 0.00 -1.58 0.00 0.00 42.46 38.24 2r3b s ILE 184 CO 0.17 0.05 0.85 -0.69 -1.23 0.00 0.00 174.94 174.09 2r3b s VAL 185 N 1.29 4.83 -0.56 2.92 1.01 0.96 -0.89 120.40 129.96 2r3b s VAL 185 Ca -0.03 -1.24 -0.21 0.00 0.00 0.00 0.00 61.98 60.50 2r3b s VAL 185 Cb -0.18 -4.58 0.06 0.00 0.00 0.00 0.00 36.38 31.68 2r3b s VAL 185 CO -0.03 -1.25 0.80 -0.22 0.00 0.00 0.00 175.10 174.40 2r3b s LEU 186 N 2.55 4.64 0.02 3.92 2.96 0.08 -2.87 118.68 129.98 2r3b s LEU 186 Ca 0.19 -0.81 -0.30 0.00 -0.22 0.00 0.00 54.13 52.98 2r3b s LEU 186 Cb -0.17 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 2r3b s LEU 186 CO 0.01 -1.13 1.03 -0.54 -1.32 0.00 0.00 176.35 174.40 2r3b s LYS 187 N 3.31 4.54 0.00 1.98 1.02 -0.28 -1.77 119.74 128.55 2r3b s LYS 187 Ca 0.21 1.50 0.00 0.00 0.02 0.00 0.00 55.97 57.70 2r3b s LYS 187 Cb -0.17 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 2r3b s LYS 187 CO 0.13 -0.08 0.00 -1.13 -0.92 0.00 0.00 175.35 173.35 2r3b n SER 188 N 3.83 0.00 -0.20 2.83 3.41 -1.26 -4.18 113.62 118.04 2r3b n SER 188 Ca 0.06 -0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.43 2r3b n SER 188 Cb 0.50 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2r3b n SER 188 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2r3b h HIS 189 N 0.15 1.16 -3.33 7.33 3.86 -1.95 -3.26 115.15 119.11 2r3b h HIS 189 Ca 0.00 -0.21 -0.66 0.00 -1.16 0.00 0.00 60.37 58.34 2r3b h HIS 189 Cb 0.00 -0.30 -0.39 0.00 1.06 0.00 0.00 27.41 27.78 2r3b h HIS 189 CO 0.00 1.04 -0.47 1.03 0.86 0.00 0.00 177.93 180.38 2r3b s ARG 190 N -4.97 2.45 0.24 2.45 1.81 -1.26 -4.61 118.95 115.05 2r3b s ARG 190 Ca -0.12 -2.91 -0.31 0.00 -1.72 0.00 0.00 55.73 50.68 2r3b s ARG 190 Cb 0.13 -3.54 -0.14 0.00 -0.45 0.00 0.00 34.95 30.96 2r3b s ARG 190 CO 0.86 -1.20 1.27 2.41 -0.68 0.00 0.00 175.30 177.96 2r3b n THR 191 N 2.75 1.22 -5.06 0.02 -1.04 -1.23 -4.58 114.28 106.35 2r3b n THR 191 Ca 0.12 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.05 61.54 2r3b n THR 191 Cb 0.35 -1.25 -0.16 0.00 -1.82 0.00 0.00 70.33 67.45 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 -0.37 1.78 -0.23 12.58 2.01 -0.73 -0.18 115.64 130.50 2r3b s THR 192 Ca 0.66 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 2r3b s THR 192 Cb -0.70 -1.52 -0.00 0.00 0.01 0.00 0.00 72.50 70.28 2r3b s THR 192 CO 0.53 0.50 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.31 2r3b s ILE 193 N 0.05 3.46 -0.14 1.82 1.01 0.78 -0.74 121.20 127.44 2r3b s ILE 193 Ca -0.07 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 2r3b s ILE 193 Cb -0.14 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 2r3b s ILE 193 CO 0.04 0.35 0.05 -0.36 0.00 0.00 0.00 174.94 175.03 2r3b s PHE 194 N 1.48 3.28 0.00 3.97 0.08 -0.07 -1.58 117.98 125.13 2r3b s PHE 194 Ca 0.05 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.27 2r3b s PHE 194 Cb -0.15 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 2r3b s PHE 194 CO -0.02 0.34 0.00 -2.39 -0.10 0.00 0.00 175.22 173.04 2r3b n HIS 195 N 2.87 -0.66 0.27 0.36 1.44 -1.26 -0.78 115.22 117.46 2r3b n HIS 195 Ca -0.18 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 55.70 2r3b n HIS 195 Cb 0.53 0.00 0.71 0.00 0.12 0.00 0.00 29.99 31.35 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 1.88 1.03 -3.00 1.59 0.00 -1.96 -3.44 119.26 115.36 2r3b h ALA 196 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2r3b h ALA 196 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2r3b h ALA 196 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2r3b n GLY 197 N -0.13 1.55 3.75 0.00 0.00 -1.26 -5.08 105.19 104.03 2r3b n GLY 197 Ca -0.00 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 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 2.60 4.67 0.57 1.61 0.41 -1.26 -4.99 118.70 122.31 2r3b s GLU 198 Ca 0.00 1.71 -0.20 0.00 -0.41 0.00 0.00 54.97 56.07 2r3b s GLU 198 Cb 0.00 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.07 2r3b s GLU 198 CO 0.00 0.23 1.21 -1.25 -0.49 0.00 0.00 175.26 174.95 2r3b s PRO 199 N -1.01 3.12 -0.11 0.39 0.04 -1.26 -4.80 135.00 131.38 2r3b s PRO 199 Ca 0.45 1.83 -0.05 0.00 0.04 0.00 0.00 61.00 63.27 2r3b s PRO 199 Cb -0.30 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2r3b s PRO 199 CO 0.37 -1.09 0.07 -0.06 0.04 0.00 0.00 177.00 176.33 2r3b s PHE 200 N -1.58 3.36 -0.12 0.56 0.08 -0.62 -0.34 117.98 119.32 2r3b s PHE 200 Ca 0.75 0.33 0.02 0.00 0.12 0.00 0.00 56.93 58.15 2r3b s PHE 200 Cb -0.30 -1.89 -0.00 0.00 -0.57 0.00 0.00 43.02 40.26 2r3b s PHE 200 CO 0.34 0.55 -0.20 -1.14 -0.10 0.00 0.00 175.22 174.67 2r3b s GLN 201 N -0.81 3.14 0.24 0.44 0.74 0.11 -0.15 119.66 123.38 2r3b s GLN 201 Ca 0.13 -0.82 -0.30 0.00 0.05 0.00 0.00 55.36 54.43 2r3b s GLN 201 Cb -0.12 -2.44 -0.09 0.00 1.10 0.00 0.00 33.01 31.46 2r3b s GLN 201 CO 0.03 0.13 1.11 1.21 -0.55 0.00 0.00 175.29 177.21 2r3b s ASN 202 N 0.50 7.26 0.00 6.67 2.47 0.74 -1.32 114.94 131.26 2r3b s ASN 202 Ca -0.13 2.22 0.21 0.00 0.42 0.00 0.00 52.86 55.58 2r3b s ASN 202 Cb -0.17 -2.62 0.14 0.00 -1.45 0.00 0.00 41.25 37.15 2r3b s ASN 202 CO 0.05 -0.18 1.15 0.35 -3.72 0.00 0.00 177.10 174.76 2r3b n THR 203 N 1.62 0.00 -3.33 -5.21 -2.24 -1.26 -4.33 114.28 99.53 2r3b n THR 203 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2r3b n THR 203 Cb 0.45 1.41 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 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 1.24 4.89 0.00 3.38 0.00 -1.26 -5.08 105.19 108.36 2r3b n GLY 204 Ca 0.12 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 5.00 2.60 3.36 -0.02 0.00 -1.26 -4.66 105.19 110.22 2r3b n GLY 205 Ca 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.38 0.08 1.61 2.20 -1.26 -4.99 114.94 112.20 2r3b s ASN 206 Ca 0.00 0.08 0.16 0.00 -0.94 0.00 0.00 52.86 52.16 2r3b s ASN 206 Cb 0.00 0.47 0.68 0.00 -2.00 0.00 0.00 41.25 40.40 2r3b s ASN 206 CO 0.00 -0.71 1.50 -0.81 -2.94 0.00 0.00 177.10 174.13 2r3b n PRO 207 N 0.39 0.06 -0.10 3.55 -0.04 -1.26 -4.13 135.00 133.47 2r3b n PRO 207 Ca -0.18 0.34 -0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2r3b n PRO 207 Cb 0.60 -1.62 -0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.19 0.92 2.79 0.55 0.00 -1.26 -4.78 105.19 103.22 2r3b n GLY 208 Ca 0.03 -0.03 -0.00 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 2.06 -2.33 -2.82 4.61 0.00 -1.26 -0.69 120.51 120.07 2r3b n ALA 210 Ca 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 2r3b n ALA 210 Cb 0.10 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.99 0.11 0.25 0.00 -1.32 -1.26 -5.10 115.64 105.32 2r3b s THR 211 Ca 0.00 -0.94 -0.31 0.00 -1.21 0.00 0.00 61.69 59.24 2r3b s THR 211 Cb -0.00 -0.94 -0.11 0.00 -1.51 0.00 0.00 72.50 69.94 2r3b s THR 211 CO 0.62 -0.52 1.62 -0.83 -2.21 0.00 0.00 174.62 173.30 2r3b s GLY 212 N -2.15 1.77 0.00 6.08 0.00 -1.26 -2.56 107.32 109.21 2r3b s GLY 212 Ca -0.04 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.21 2r3b s GLY 212 CO -0.04 2.65 0.00 0.61 0.00 0.00 0.00 173.10 176.31 2r3b n GLY 213 N 2.94 2.83 0.28 0.20 0.00 -1.26 -4.80 105.19 105.37 2r3b n GLY 213 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 0.87 -0.16 2.61 2.02 -1.88 -1.17 112.91 115.20 2r3b h THR 214 Ca 0.00 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 66.79 2r3b h THR 214 Cb 0.00 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 2r3b h THR 214 CO 0.00 0.12 -0.58 1.23 0.37 0.00 0.00 175.52 176.66 2r3b h GLY 215 N 0.65 0.56 1.02 2.16 0.00 -1.93 -2.07 103.07 103.45 2r3b h GLY 215 Ca 0.36 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2r3b h GLY 215 CO -0.26 0.60 0.43 -0.55 0.00 0.00 0.00 176.54 176.76 2r3b h ASP 216 N 0.38 1.05 0.23 0.19 3.32 -1.80 -1.86 116.42 117.93 2r3b h ASP 216 Ca 0.00 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2r3b h ASP 216 Cb 1.13 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 2r3b h ASP 216 CO 0.11 0.86 -0.14 0.74 -1.72 0.00 0.00 179.24 179.08 2r3b h THR 217 N 1.15 0.70 -0.61 0.35 2.02 -1.12 -2.33 112.91 113.07 2r3b h THR 217 Ca 0.29 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.58 2r3b h THR 217 Cb 0.06 0.70 -0.09 0.00 -1.74 0.00 0.00 68.15 67.08 2r3b h THR 217 CO -0.04 0.00 0.11 0.25 0.37 0.00 0.00 175.52 176.21 2r3b h LEU 218 N -0.37 -0.04 -0.99 2.58 5.85 -1.25 -1.87 115.31 119.23 2r3b h LEU 218 Ca -0.02 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2r3b h LEU 218 Cb 0.30 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2r3b h LEU 218 CO 0.02 -0.01 0.50 0.00 -0.34 0.00 0.00 178.44 178.61 2r3b h ALA 219 N 1.50 1.23 -0.31 1.25 0.00 -1.16 -0.50 119.26 121.28 2r3b h ALA 219 Ca 0.32 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2r3b h ALA 219 Cb 0.49 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2r3b h ALA 219 CO -0.43 0.64 -0.12 0.78 0.00 0.00 0.00 179.25 180.12 2r3b h GLY 220 N 1.23 0.56 0.89 0.00 0.00 -0.87 -1.63 103.07 103.25 2r3b h GLY 220 Ca 0.31 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 2r3b h GLY 220 CO -0.05 0.36 -0.13 -2.22 0.00 0.00 0.00 176.54 174.50 2r3b h ILE 221 N 0.48 1.29 -0.35 2.60 2.04 -0.55 -0.70 117.51 122.33 2r3b h ILE 221 Ca 0.09 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.77 2r3b h ILE 221 Cb 0.50 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 2r3b h ILE 221 CO 0.03 0.38 0.16 0.40 0.00 0.00 0.00 178.15 179.12 2r3b h ILE 222 N 0.32 0.96 -0.13 -0.67 2.04 -0.96 0.65 117.51 119.72 2r3b h ILE 222 Ca 0.06 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.84 2r3b h ILE 222 Cb 0.64 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2r3b h ILE 222 CO 0.04 0.06 -0.10 0.00 0.00 0.00 0.00 178.15 178.15 2r3b h ALA 223 N 1.19 0.00 -0.83 1.87 0.00 -1.20 -0.97 119.26 119.32 2r3b h ALA 223 Ca 0.15 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2r3b h ALA 223 Cb 0.08 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2r3b h ALA 223 CO -0.12 -0.55 0.45 0.78 0.00 0.00 0.00 179.25 179.81 2r3b h GLY 224 N -0.11 1.24 0.92 0.00 0.00 -0.74 -2.15 103.07 102.22 2r3b h GLY 224 Ca 0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2r3b h GLY 224 CO -0.20 0.54 0.10 0.74 0.00 0.00 0.00 176.54 177.72 2r3b h PHE 225 N 1.17 0.58 0.00 5.60 -1.00 -0.63 -2.88 116.94 119.77 2r3b h PHE 225 Ca 0.29 -0.06 -0.02 0.00 2.81 0.00 0.00 57.97 60.99 2r3b h PHE 225 Cb 0.04 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 39.43 2r3b h PHE 225 CO 0.01 0.57 -0.10 -0.07 -1.61 0.00 0.00 178.31 177.11 2r3b h LEU 226 N 0.41 0.00 -0.73 1.54 3.38 -0.99 0.07 115.31 118.99 2r3b h LEU 226 Ca 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2r3b h LEU 226 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2r3b h LEU 226 CO -0.00 0.10 -0.58 0.00 0.09 0.00 0.00 178.44 178.05 2r3b h ALA 227 N 1.90 0.93 0.00 1.53 0.00 -1.18 -3.37 119.26 119.06 2r3b h ALA 227 Ca -0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 2r3b h ALA 227 Cb 0.38 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2r3b h ALA 227 CO 0.01 0.72 -1.61 1.04 0.00 0.00 0.00 179.25 179.41 2r3b n GLN 228 N -3.68 2.20 -3.59 0.00 6.02 -0.92 -3.45 117.38 113.97 2r3b n GLN 228 Ca -0.01 0.01 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 2r3b n GLN 228 Cb 0.61 -1.23 0.01 0.00 1.02 0.00 0.00 30.24 30.66 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 -2.41 -0.92 -1.77 1.08 3.72 -0.04 -4.97 117.46 112.16 2r3b n PHE 229 Ca -0.15 -2.20 -0.41 0.00 -0.05 0.00 0.00 57.45 54.64 2r3b n PHE 229 Cb 0.78 -0.45 0.01 0.00 -0.94 0.00 0.00 39.48 38.88 2r3b n PHE 229 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2r3b n LYS 230 N -1.82 2.46 -1.23 -1.08 5.02 -1.26 -4.85 118.16 115.39 2r3b n LYS 230 Ca 0.01 0.87 -0.36 0.00 -2.02 0.00 0.00 58.31 56.81 2r3b n LYS 230 Cb 0.60 -2.65 -0.02 0.00 -0.02 0.00 0.00 35.03 32.94 2r3b n LYS 230 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2r3b n PRO 231 N 0.13 3.04 -4.29 1.97 -0.04 -1.26 -4.56 135.00 129.99 2r3b n PRO 231 Ca 0.03 -2.07 -0.15 0.00 -0.04 0.00 0.00 63.50 61.27 2r3b n PRO 231 Cb 0.40 -2.81 -0.10 0.00 -0.04 0.00 0.00 33.50 30.95 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 2.82 0.78 0.23 0.52 -4.23 -1.26 -5.04 115.64 109.44 2r3b s THR 232 Ca 0.58 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.32 2r3b s THR 232 Cb 0.15 -2.30 0.23 0.00 1.34 0.00 0.00 72.50 71.92 2r3b s THR 232 CO -0.05 -0.33 1.88 0.40 -0.54 0.00 0.00 174.62 175.98 2r3b h ILE 233 N 2.56 0.64 -0.64 2.99 5.03 -2.01 -2.04 117.51 124.05 2r3b h ILE 233 Ca -0.38 -1.04 0.10 0.00 -0.12 0.00 0.00 64.86 63.42 2r3b h ILE 233 Cb 1.22 1.68 -0.04 0.00 -3.03 0.00 0.00 36.82 36.65 2r3b h ILE 233 CO 0.63 0.23 0.42 -0.33 -0.68 0.00 0.00 178.15 178.42 2r3b h GLU 234 N 0.00 0.46 -0.38 2.37 3.07 -1.96 -1.02 114.58 117.12 2r3b h GLU 234 Ca -0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2r3b h GLU 234 Cb 0.66 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 2r3b h GLU 234 CO 0.03 0.30 0.16 1.15 -1.40 0.00 0.00 179.01 179.25 2r3b h THR 235 N 0.47 1.19 -0.51 1.13 2.02 -1.61 -0.01 112.91 115.60 2r3b h THR 235 Ca 0.29 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 2r3b h THR 235 Cb 0.52 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2r3b h THR 235 CO -0.09 0.21 0.14 0.40 0.37 0.00 0.00 175.52 176.55 2r3b h ILE 236 N 0.48 1.24 -0.84 3.11 2.04 -1.47 -2.41 117.51 119.65 2r3b h ILE 236 Ca 0.13 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.19 2r3b h ILE 236 Cb 0.17 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2r3b h ILE 236 CO -0.01 0.30 0.56 0.00 0.00 0.00 0.00 178.15 178.99 2r3b h ALA 237 N 1.01 1.42 -0.54 1.87 0.00 -0.91 -2.12 119.26 119.99 2r3b h ALA 237 Ca 0.16 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2r3b h ALA 237 Cb 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2r3b h ALA 237 CO -0.00 0.53 -0.06 0.78 0.00 0.00 0.00 179.25 180.50 2r3b h GLY 238 N 1.12 1.05 1.00 0.00 0.00 -0.68 -0.36 103.07 105.20 2r3b h GLY 238 Ca 0.31 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2r3b h GLY 238 CO -0.07 0.73 0.23 0.00 0.00 0.00 0.00 176.54 177.43 2r3b h ALA 239 N 1.04 0.45 -0.29 3.60 0.00 -1.09 0.02 119.26 122.98 2r3b h ALA 239 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2r3b h ALA 239 Cb 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2r3b h ALA 239 CO 0.04 -0.09 0.11 0.28 0.00 0.00 0.00 179.25 179.59 2r3b h VAL 240 N 0.48 1.18 -0.28 0.00 2.07 -1.20 -1.75 116.25 116.75 2r3b h VAL 240 Ca 0.13 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2r3b h VAL 240 Cb -0.05 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2r3b h VAL 240 CO -0.03 0.19 0.11 0.22 0.02 0.00 0.00 177.57 178.09 2r3b h TYR 241 N 0.32 0.43 -0.56 1.57 3.20 -0.92 -2.95 116.97 118.05 2r3b h TYR 241 Ca 0.10 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2r3b h TYR 241 Cb 0.20 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2r3b h TYR 241 CO -0.00 0.42 0.28 1.25 -1.64 0.00 0.00 178.16 178.47 2r3b h LEU 242 N 0.31 0.73 -0.49 2.82 5.85 -0.85 -0.71 115.31 122.97 2r3b h LEU 242 Ca 0.09 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.79 2r3b h LEU 242 Cb 0.17 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 40.92 2r3b h LEU 242 CO -0.01 0.64 -0.14 -0.74 -0.34 0.00 0.00 178.44 177.85 2r3b h HIS 243 N 0.76 -0.31 -0.02 1.25 2.76 -1.29 -1.37 115.15 116.93 2r3b h HIS 243 Ca 0.19 0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.28 2r3b h HIS 243 Cb 0.10 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 2r3b h HIS 243 CO -0.01 -0.23 -0.62 0.77 -1.30 0.00 0.00 177.93 176.55 2r3b h SER 244 N -0.02 0.07 -0.16 3.26 0.02 -1.33 -1.87 113.55 113.52 2r3b h SER 244 Ca 0.24 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2r3b h SER 244 Cb 0.38 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2r3b h SER 244 CO -0.52 0.67 0.03 0.25 -1.14 0.00 0.00 176.83 176.13 2r3b h LEU 245 N 0.05 0.25 -0.13 5.07 5.85 -0.62 0.31 115.31 126.10 2r3b h LEU 245 Ca -0.01 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2r3b h LEU 245 Cb 1.10 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2r3b h LEU 245 CO 0.08 0.43 0.03 0.40 -0.34 0.00 0.00 178.44 179.05 2r3b h ILE 246 N 0.06 1.20 -1.01 4.05 2.04 -1.28 -0.79 117.51 121.78 2r3b h ILE 246 Ca 0.05 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.36 2r3b h ILE 246 Cb 0.28 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 2r3b h ILE 246 CO 0.00 0.19 0.65 1.23 0.00 0.00 0.00 178.15 180.22 2r3b h GLY 247 N -0.00 1.57 1.26 5.37 0.00 -1.24 0.16 103.07 110.18 2r3b h GLY 247 Ca 0.04 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.76 2r3b h GLY 247 CO 0.00 0.29 -0.35 -0.55 0.00 0.00 0.00 176.54 175.93 2r3b h ASP 248 N 1.13 0.87 -0.33 0.19 3.32 -0.11 -1.19 116.42 120.29 2r3b h ASP 248 Ca 0.45 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 2r3b h ASP 248 Cb 0.26 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2r3b h ASP 248 CO -0.20 1.13 -0.01 0.44 -1.72 0.00 0.00 179.24 178.88 2r3b h ASP 249 N 0.69 0.58 0.09 6.45 3.32 -0.62 -3.06 116.42 123.86 2r3b h ASP 249 Ca 0.07 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.74 2r3b h ASP 249 Cb 0.91 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2r3b h ASP 249 CO 0.08 0.75 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.07 2r3b h LEU 250 N 0.39 0.23 -0.78 1.55 3.38 -0.87 -2.23 115.31 116.99 2r3b h LEU 250 Ca 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2r3b h LEU 250 Cb 0.46 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2r3b h LEU 250 CO 0.02 0.46 0.00 0.00 0.09 0.00 0.00 178.44 179.01 2r3b n ALA 251 N -2.48 1.57 0.20 1.53 0.00 -0.46 -0.96 120.51 119.91 2r3b n ALA 251 Ca -0.01 0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.57 2r3b n ALA 251 Cb 0.33 -1.37 0.41 0.00 0.00 0.00 0.00 19.45 18.82 2r3b n ALA 251 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2r3b h LYS 252 N 0.00 0.00 0.00 0.00 1.57 -1.40 -3.28 116.57 113.46 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 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2r3b h LYS 252 CO 0.00 0.33 -1.47 0.25 -0.57 0.00 0.00 179.45 177.98 2r3b n THR 253 N -4.03 0.07 -4.50 -0.16 -2.24 -0.73 -5.01 114.28 97.68 2r3b n THR 253 Ca -0.02 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.19 2r3b n THR 253 Cb 0.38 0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.62 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 -3.25 3.36 0.08 3.42 1.11 -0.13 -5.03 116.67 116.23 2r3b s ASP 254 Ca -0.04 -0.56 -0.22 0.00 0.18 0.00 0.00 52.55 51.92 2r3b s ASP 254 Cb 0.06 -1.51 -0.12 0.00 1.07 0.00 0.00 42.92 42.43 2r3b s ASP 254 CO 0.41 0.06 1.62 0.22 1.18 0.00 0.00 175.17 178.66 2r3b h TYR 255 N 7.45 0.18 -4.05 4.23 3.20 -1.87 -3.39 116.97 122.72 2r3b h TYR 255 Ca -0.35 -0.01 -0.69 0.00 3.14 0.00 0.00 58.73 60.82 2r3b h TYR 255 Cb 1.18 -0.05 -0.24 0.00 1.54 0.00 0.00 36.73 39.16 2r3b h TYR 255 CO 0.49 0.27 -0.77 0.54 -1.64 0.00 0.00 178.16 177.04 2r3b s VAL 256 N -5.57 3.02 -0.42 1.81 0.11 -1.26 -4.42 120.40 113.67 2r3b s VAL 256 Ca -0.14 -0.74 -0.16 0.00 -2.93 0.00 0.00 61.98 58.01 2r3b s VAL 256 Cb 0.06 -2.18 0.03 0.00 -1.53 0.00 0.00 36.38 32.76 2r3b s VAL 256 CO 0.69 0.59 0.37 -0.69 -3.33 0.00 0.00 175.10 172.73 2r3b s VAL 257 N -0.72 5.18 0.14 2.04 1.01 0.13 -5.02 120.40 123.17 2r3b s VAL 257 Ca 0.11 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 2r3b s VAL 257 Cb -0.11 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 2r3b s VAL 257 CO 0.00 -0.39 1.68 -0.76 0.00 0.00 0.00 175.10 175.63 2r3b s LEU 258 N 1.89 4.38 0.43 3.92 1.43 -1.26 -4.88 118.68 124.58 2r3b s LEU 258 Ca 0.08 2.67 0.13 0.00 -1.03 0.00 0.00 54.13 55.98 2r3b s LEU 258 Cb -0.19 -3.58 1.00 0.00 0.03 0.00 0.00 46.19 43.45 2r3b s LEU 258 CO 0.11 -0.91 1.99 -0.65 0.23 0.00 0.00 176.35 177.12 2r3b h PRO 259 N 7.55 0.43 0.00 1.29 0.11 -1.89 -1.19 132.00 138.29 2r3b h PRO 259 Ca -0.43 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 2r3b h PRO 259 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2r3b h PRO 259 CO 0.93 0.28 -0.12 1.79 -0.21 0.00 0.00 178.00 180.67 2r3b h THR 260 N 0.44 0.83 -0.23 -1.15 1.35 -1.93 -2.10 112.91 110.13 2r3b h THR 260 Ca 0.26 -0.46 -0.08 0.00 -0.55 0.00 0.00 66.41 65.58 2r3b h THR 260 Cb 0.46 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 2r3b h THR 260 CO -0.07 0.12 -0.19 0.11 -0.25 0.00 0.00 175.52 175.24 2r3b h LYS 261 N 0.00 0.40 -0.12 4.72 1.57 -1.59 -0.49 116.57 121.06 2r3b h LYS 261 Ca -0.00 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2r3b h LYS 261 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2r3b h LYS 261 CO 0.02 0.58 0.04 0.82 -0.57 0.00 0.00 179.45 180.33 2r3b h ILE 262 N 0.37 1.18 -0.64 1.86 2.04 -1.40 -2.47 117.51 118.44 2r3b h ILE 262 Ca 0.06 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.41 2r3b h ILE 262 Cb 0.55 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2r3b h ILE 262 CO 0.04 0.16 0.39 0.28 0.00 0.00 0.00 178.15 179.02 2r3b h SER 263 N 0.01 0.62 0.54 1.72 0.02 -1.32 -2.06 113.55 113.08 2r3b h SER 263 Ca 0.04 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2r3b h SER 263 Cb 0.22 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2r3b h SER 263 CO -0.00 0.43 -0.11 1.56 -1.14 0.00 0.00 176.83 177.56 2r3b h GLN 264 N 0.75 0.00 -0.00 3.45 4.20 -1.00 -2.24 115.11 120.27 2r3b h GLN 264 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2r3b h GLN 264 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2r3b h GLN 264 CO -0.12 0.11 -0.25 0.00 -0.67 0.00 0.00 178.83 177.90 2r3b n ALA 265 N -2.22 3.02 -0.08 3.87 0.00 -0.79 -4.41 120.51 119.90 2r3b n ALA 265 Ca -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.06 2r3b n ALA 265 Cb 0.27 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.43 0.06 -1.14 0.00 3.38 -1.29 -1.94 115.31 114.80 2r3b h LEU 266 Ca 0.00 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2r3b h LEU 266 Cb 0.46 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2r3b h LEU 266 CO 0.00 0.07 0.58 -0.65 0.09 0.00 0.00 178.44 178.53 2r3b h PRO 267 N 0.20 1.12 -0.13 1.13 0.11 -1.77 -2.67 132.00 129.98 2r3b h PRO 267 Ca 0.14 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 65.95 2r3b h PRO 267 Cb 0.13 -0.25 0.01 0.00 0.11 0.00 0.00 31.00 31.00 2r3b h PRO 267 CO -0.16 0.74 -0.81 1.79 -0.21 0.00 0.00 178.00 179.35 2r3b h THR 268 N 1.15 1.28 0.00 -1.15 1.35 -1.83 -2.44 112.91 111.29 2r3b h THR 268 Ca 0.34 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2r3b h THR 268 Cb -0.07 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2r3b h THR 268 CO -0.09 0.64 0.00 -1.22 -0.25 0.00 0.00 175.52 174.60 2r3b n TYR 269 N -3.92 0.00 0.00 4.73 4.02 -0.75 -2.68 117.16 118.56 2r3b n TYR 269 Ca -0.08 -0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 2r3b n TYR 269 Cb 0.76 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 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 0.69 0.00 -0.28 -0.72 3.00 -0.92 -2.31 118.16 117.62 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 0.06 0.00 0.00 0.00 0.00 35.03 35.21 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 1.08 -0.01 1.64 3.64 -1.79 -2.99 116.57 118.14 2r3b h LYS 272 Ca 0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2r3b h LYS 272 Cb 0.00 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 2r3b h LYS 272 CO 0.00 0.81 -0.31 0.66 -2.27 0.00 0.00 179.45 178.33 2r3b n TYR 273 N -4.43 0.00 -1.63 1.91 4.01 -0.98 -4.93 117.16 111.12 2r3b n TYR 273 Ca 0.07 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.39 2r3b n TYR 273 Cb 0.10 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.49 1.71 -1.46 -0.72 0.00 -1.13 -4.18 120.51 114.24 2r3b n ALA 274 Ca 0.11 -0.06 -0.45 0.00 0.00 0.00 0.00 53.44 53.05 2r3b n ALA 274 Cb 0.38 -2.83 -0.12 0.00 0.00 0.00 0.00 19.45 16.88 2r3b n ALA 274 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2r3b n GLN 275 N 8.25 0.26 0.00 0.00 1.13 0.12 -4.80 117.38 122.35 2r3b n GLN 275 Ca 0.26 0.03 0.14 0.00 -1.94 0.00 0.00 57.00 55.48 2r3b n GLN 275 Cb 0.43 -1.89 0.48 0.00 0.11 0.00 0.00 30.24 29.38 2r3b n GLN 275 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27