#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a42 s LYS 2 N 0.00 4.12 -0.06 1.96 1.02 -1.26 -0.29 119.74 125.23 2a42 s LYS 2 Ca 0.00 -0.24 0.05 0.00 0.02 0.00 0.00 55.97 55.80 2a42 s LYS 2 Cb 0.00 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 2a42 s LYS 2 CO 0.00 0.16 -0.19 0.42 -0.92 0.00 0.00 175.35 174.81 2a42 s ILE 3 N 0.78 2.60 0.11 2.17 1.01 0.16 -0.45 121.20 127.58 2a42 s ILE 3 Ca 0.08 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2a42 s ILE 3 Cb -0.13 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 2a42 s ILE 3 CO 0.02 0.57 -0.06 0.00 0.00 0.00 0.00 174.94 175.47 2a42 s ALA 4 N -0.41 1.09 -0.07 9.38 0.00 -0.43 -0.89 121.76 130.44 2a42 s ALA 4 Ca 0.04 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.62 2a42 s ALA 4 Cb -0.12 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2a42 s ALA 4 CO 0.02 -0.22 -0.12 0.00 0.00 0.00 0.00 175.76 175.44 2a42 s ALA 5 N -3.59 1.23 -0.10 0.00 0.00 -0.04 -0.70 121.76 118.57 2a42 s ALA 5 Ca 0.14 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 2a42 s ALA 5 Cb 0.05 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.63 2a42 s ALA 5 CO -0.03 0.08 0.05 0.12 0.00 0.00 0.00 175.76 175.98 2a42 s PHE 6 N 0.73 0.39 -0.40 0.00 5.36 0.87 -1.17 117.98 123.75 2a42 s PHE 6 Ca -0.13 -0.13 -0.23 0.00 -0.96 0.00 0.00 56.93 55.47 2a42 s PHE 6 Cb -0.16 -0.69 0.02 0.00 -0.34 0.00 0.00 43.02 41.85 2a42 s PHE 6 CO 0.03 -0.35 0.80 1.21 -1.46 0.00 0.00 175.22 175.45 2a42 s ASN 7 N 2.07 6.50 -0.37 6.13 3.84 -1.26 -1.07 114.94 130.78 2a42 s ASN 7 Ca 0.04 0.18 -0.12 0.00 0.21 0.00 0.00 52.86 53.17 2a42 s ASN 7 Cb -0.14 -2.40 0.02 0.00 -0.55 0.00 0.00 41.25 38.18 2a42 s ASN 7 CO -0.06 -0.83 0.22 -0.63 -2.79 0.00 0.00 177.10 173.02 2a42 s ILE 8 N 3.24 4.80 0.16 -5.21 1.01 -0.78 -4.34 121.20 120.08 2a42 s ILE 8 Ca 0.32 -0.68 -0.34 0.00 0.00 0.00 0.00 60.65 59.94 2a42 s ILE 8 Cb -0.12 -3.62 -0.14 0.00 0.01 0.00 0.00 42.46 38.58 2a42 s ILE 8 CO 0.20 -0.18 1.49 -1.14 0.00 0.00 0.00 174.94 175.30 2a42 n ARG 9 N 5.04 1.91 -3.84 2.79 0.63 -1.26 -1.91 116.66 120.03 2a42 n ARG 9 Ca -0.12 0.69 -0.26 0.00 -0.92 0.00 0.00 57.85 57.24 2a42 n ARG 9 Cb 0.47 -2.40 -0.03 0.00 0.45 0.00 0.00 32.46 30.95 2a42 n ARG 9 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2a42 n THR 10 N 2.88 -1.18 -1.82 5.15 -2.24 -1.26 -4.83 114.28 110.99 2a42 n THR 10 Ca 0.16 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 2a42 n THR 10 Cb 0.27 -1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 67.42 2a42 n THR 10 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2a42 s PHE 11 N -3.97 1.57 0.00 4.78 2.19 -0.80 -4.73 117.98 117.02 2a42 s PHE 11 Ca 0.16 -0.08 0.00 0.00 0.33 0.00 0.00 56.93 57.34 2a42 s PHE 11 Cb -0.09 -4.09 0.00 0.00 -1.31 0.00 0.00 43.02 37.53 2a42 s PHE 11 CO 0.66 -4.65 0.00 0.41 1.83 0.00 0.00 175.22 173.47 2a42 n GLY 12 N 4.51 1.12 0.32 13.12 0.00 -1.26 -0.30 105.19 122.70 2a42 n GLY 12 Ca 0.20 -0.80 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 2a42 n GLY 12 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2a42 h GLU 13 N 0.00 1.03 -0.39 1.61 5.08 -1.89 -1.44 114.58 118.58 2a42 h GLU 13 Ca 0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2a42 h GLU 13 Cb 0.00 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 2a42 h GLU 13 CO 0.00 0.68 0.17 1.15 -1.00 0.00 0.00 179.01 180.01 2a42 h THR 14 N 1.06 1.18 -0.27 1.13 2.02 -1.95 -0.17 112.91 115.90 2a42 h THR 14 Ca 0.33 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 2a42 h THR 14 Cb -0.02 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2a42 h THR 14 CO -0.11 0.20 -0.05 0.50 0.37 0.00 0.00 175.52 176.44 2a42 h LYS 15 N 0.48 0.51 0.00 6.66 3.64 -1.79 -2.88 116.57 123.19 2a42 h LYS 15 Ca 0.13 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2a42 h LYS 15 Cb 0.15 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2a42 h LYS 15 CO -0.01 0.71 0.00 0.52 -2.27 0.00 0.00 179.45 178.39 2a42 h MET 16 N 0.27 0.00 -0.00 1.90 2.86 -1.14 -2.35 114.93 116.47 2a42 h MET 16 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2a42 h MET 16 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2a42 h MET 16 CO 0.02 0.00 -0.24 0.43 1.06 0.00 0.00 176.91 178.18 2a42 n SER 17 N -3.06 0.42 -4.52 1.22 7.64 -0.09 -4.64 113.62 110.59 2a42 n SER 17 Ca -0.00 -0.22 -0.43 0.00 1.01 0.00 0.00 58.87 59.23 2a42 n SER 17 Cb 0.26 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.38 2a42 n SER 17 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2a42 s ASN 18 N -2.80 6.35 0.30 6.43 3.84 -0.88 -4.93 114.94 123.23 2a42 s ASN 18 Ca 0.18 -0.34 0.05 0.00 0.21 0.00 0.00 52.86 52.96 2a42 s ASN 18 Cb 0.19 -2.44 0.71 0.00 -0.55 0.00 0.00 41.25 39.16 2a42 s ASN 18 CO 0.58 -1.22 1.78 0.00 -2.79 0.00 0.00 177.10 175.45 2a42 h ALA 19 N 9.30 1.64 -0.24 1.71 0.00 -1.85 0.11 119.26 129.92 2a42 h ALA 19 Ca -0.26 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2a42 h ALA 19 Cb 1.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2a42 h ALA 19 CO 1.08 -0.01 -0.09 1.15 0.00 0.00 0.00 179.25 181.38 2a42 h THR 20 N 0.79 1.29 -0.15 0.00 2.02 -1.93 -1.64 112.91 113.29 2a42 h THR 20 Ca 0.57 -1.13 -0.22 0.00 0.77 0.00 0.00 66.41 66.40 2a42 h THR 20 Cb 0.84 1.53 0.01 0.00 -1.74 0.00 0.00 68.15 68.79 2a42 h THR 20 CO -0.37 0.35 -0.77 -0.07 0.37 0.00 0.00 175.52 175.03 2a42 h LEU 21 N 0.21 0.92 -0.70 2.58 3.38 -1.56 -2.69 115.31 117.45 2a42 h LEU 21 Ca 0.06 -0.60 0.09 0.00 0.09 0.00 0.00 57.88 57.51 2a42 h LEU 21 Cb 0.57 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 2a42 h LEU 21 CO 0.03 1.40 0.35 0.00 0.09 0.00 0.00 178.44 180.31 2a42 h ALA 22 N 0.58 0.95 -0.55 1.53 0.00 -0.83 -1.05 119.26 119.89 2a42 h ALA 22 Ca -0.05 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2a42 h ALA 22 Cb 1.40 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2a42 h ALA 22 CO 0.16 -0.03 0.36 1.03 0.00 0.00 0.00 179.25 180.76 2a42 h SER 23 N 0.61 0.61 -0.46 0.00 0.87 -1.09 0.54 113.55 114.63 2a42 h SER 23 Ca 0.34 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 2a42 h SER 23 Cb 0.33 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2a42 h SER 23 CO -0.25 0.44 0.11 1.88 -0.53 0.00 0.00 176.83 178.48 2a42 h TYR 24 N 0.72 0.77 -0.56 2.24 0.05 -1.12 -0.03 116.97 119.04 2a42 h TYR 24 Ca 0.20 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 2a42 h TYR 24 Cb -0.06 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.43 2a42 h TYR 24 CO -0.04 0.70 0.34 0.82 -1.05 0.00 0.00 178.16 178.93 2a42 h ILE 25 N 0.61 1.17 -0.55 -2.88 2.04 -0.95 -1.53 117.51 115.41 2a42 h ILE 25 Ca 0.14 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.63 2a42 h ILE 25 Cb 0.32 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2a42 h ILE 25 CO 0.00 0.17 0.37 0.58 0.00 0.00 0.00 178.15 179.27 2a42 h VAL 26 N 0.75 1.14 -0.74 1.67 2.07 -0.64 -0.35 116.25 120.14 2a42 h VAL 26 Ca 0.20 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.49 2a42 h VAL 26 Cb -0.01 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 2a42 h VAL 26 CO -0.04 0.14 0.47 -0.09 0.02 0.00 0.00 177.57 178.07 2a42 h ARG 27 N 0.75 0.91 -0.02 1.57 2.43 -0.76 -1.07 114.38 118.19 2a42 h ARG 27 Ca 0.20 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2a42 h ARG 27 Cb -0.08 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.26 2a42 h ARG 27 CO -0.05 0.60 -0.00 0.82 -1.51 0.00 0.00 179.97 179.83 2a42 h ILE 28 N 0.94 1.27 -0.81 1.20 2.04 -0.96 -3.06 117.51 118.12 2a42 h ILE 28 Ca 0.29 -0.81 0.12 0.00 1.00 0.00 0.00 64.86 65.46 2a42 h ILE 28 Cb -0.01 1.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 2a42 h ILE 28 CO -0.10 0.22 0.42 0.58 0.00 0.00 0.00 178.15 179.27 2a42 h VAL 29 N -0.29 0.81 0.00 1.67 2.07 -0.88 -2.09 116.25 117.53 2a42 h VAL 29 Ca 0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2a42 h VAL 29 Cb 0.35 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2a42 h VAL 29 CO 0.00 0.12 0.00 0.03 0.02 0.00 0.00 177.57 177.74 2a42 h ARG 30 N 0.66 0.00 0.00 1.57 3.08 -1.09 -0.80 114.38 117.80 2a42 h ARG 30 Ca 0.41 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.42 2a42 h ARG 30 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2a42 h ARG 30 CO -0.31 0.00 -0.22 0.00 -1.07 0.00 0.00 179.97 178.37 2a42 h ARG 31 N 0.00 0.00 -6.41 0.04 3.08 -1.40 -3.45 114.38 106.24 2a42 h ARG 31 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 2a42 h ARG 31 Cb 0.12 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.05 2a42 h ARG 31 CO 0.00 0.22 -0.68 0.71 -1.07 0.00 0.00 179.97 179.15 2a42 s TYR 32 N -3.85 2.88 -0.02 3.04 2.02 -0.31 -4.82 117.35 116.29 2a42 s TYR 32 Ca -0.01 -0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.62 2a42 s TYR 32 Cb 0.12 -1.47 -0.25 0.00 -0.40 0.00 0.00 41.96 39.96 2a42 s TYR 32 CO 0.63 0.47 0.75 -0.44 -1.57 0.00 0.00 175.55 175.39 2a42 h ASP 33 N 3.29 0.23 -3.44 2.29 3.32 -1.06 -3.45 116.42 117.60 2a42 h ASP 33 Ca -0.48 -0.39 -0.42 0.00 0.02 0.00 0.00 57.03 55.76 2a42 h ASP 33 Cb 1.17 -0.08 -0.34 0.00 0.22 0.00 0.00 39.33 40.31 2a42 h ASP 33 CO 0.57 1.34 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.02 2a42 s ILE 34 N -2.61 0.61 -0.03 0.35 1.01 -1.02 -1.33 121.20 118.18 2a42 s ILE 34 Ca -0.09 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2a42 s ILE 34 Cb 0.07 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.92 2a42 s ILE 34 CO 0.83 0.24 -0.10 0.54 0.00 0.00 0.00 174.94 176.45 2a42 s VAL 35 N 0.93 0.89 -0.33 2.92 0.11 0.13 -1.31 120.40 123.75 2a42 s VAL 35 Ca -0.11 -0.40 -0.17 0.00 -2.93 0.00 0.00 61.98 58.37 2a42 s VAL 35 Cb -0.14 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 2a42 s VAL 35 CO 0.00 0.28 0.46 -0.22 -3.33 0.00 0.00 175.10 172.29 2a42 s LEU 36 N 0.28 4.29 -0.18 2.54 2.96 0.12 -0.85 118.68 127.85 2a42 s LEU 36 Ca -0.05 0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 2a42 s LEU 36 Cb -0.10 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 2a42 s LEU 36 CO 0.01 -0.39 0.11 -0.63 -1.32 0.00 0.00 176.35 174.13 2a42 s ILE 37 N 2.26 5.24 0.34 6.68 1.01 0.10 -0.09 121.20 136.74 2a42 s ILE 37 Ca 0.17 0.13 0.09 0.00 0.00 0.00 0.00 60.65 61.04 2a42 s ILE 37 Cb -0.16 -3.37 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 2a42 s ILE 37 CO 0.12 0.47 -0.07 -1.10 0.00 0.00 0.00 174.94 174.36 2a42 s GLN 38 N 0.18 1.89 -0.86 2.79 -0.21 -0.23 -1.47 119.66 121.76 2a42 s GLN 38 Ca 0.08 -1.87 -0.03 0.00 0.02 0.00 0.00 55.36 53.56 2a42 s GLN 38 Cb -0.11 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.12 2a42 s GLN 38 CO -0.01 0.15 0.35 -1.91 -2.12 0.00 0.00 175.29 171.75 2a42 n GLU 39 N -0.83 -2.79 -2.50 2.91 2.13 -1.25 -1.86 120.64 116.45 2a42 n GLU 39 Ca -0.05 0.50 -0.43 0.00 0.66 0.00 0.00 57.16 57.85 2a42 n GLU 39 Cb 0.63 -4.52 -0.02 0.00 0.27 0.00 0.00 31.44 27.80 2a42 n GLU 39 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2a42 s VAL 40 N -2.90 4.13 -0.64 6.31 1.01 -1.18 -2.03 120.40 125.11 2a42 s VAL 40 Ca 0.17 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.37 2a42 s VAL 40 Cb -0.08 -4.38 0.16 0.00 0.00 0.00 0.00 36.38 32.08 2a42 s VAL 40 CO 0.22 -0.78 0.43 -0.13 0.00 0.00 0.00 175.10 174.84 2a42 s ARG 41 N 4.47 2.43 -0.41 2.72 1.81 0.60 -0.70 118.95 129.86 2a42 s ARG 41 Ca 0.53 -2.85 0.04 0.00 -1.72 0.00 0.00 55.73 51.73 2a42 s ARG 41 Cb -0.11 -3.55 0.17 0.00 -0.45 0.00 0.00 34.95 31.01 2a42 s ARG 41 CO 0.29 -1.19 0.41 0.34 -0.68 0.00 0.00 175.30 174.47 2a42 s ASP 42 N -0.26 0.92 0.39 0.23 2.15 -1.26 -4.21 116.67 114.63 2a42 s ASP 42 Ca 0.20 -2.19 0.06 0.00 0.43 0.00 0.00 52.55 51.05 2a42 s ASP 42 Cb -0.17 0.37 0.78 0.00 -0.30 0.00 0.00 42.92 43.60 2a42 s ASP 42 CO -0.06 -0.19 2.01 0.77 -0.17 0.00 0.00 175.17 177.53 2a42 h SER 43 N 6.18 0.49 -0.08 -0.34 4.64 -1.97 -2.69 113.55 119.78 2a42 h SER 43 Ca 0.13 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2a42 h SER 43 Cb 1.01 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2a42 h SER 43 CO 0.23 0.41 0.00 1.41 -0.87 0.00 0.00 176.83 178.01 2a42 n HIS 44 N -4.42 0.28 -1.28 4.77 8.25 -1.26 -4.96 115.22 116.59 2a42 n HIS 44 Ca 0.03 -0.94 -0.10 0.00 -0.26 0.00 0.00 57.72 56.46 2a42 n HIS 44 Cb 0.10 -0.19 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 2a42 n HIS 44 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2a42 n LEU 45 N -1.10 -0.38 -0.07 2.41 4.77 -1.02 -4.90 117.00 116.70 2a42 n LEU 45 Ca 0.17 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.28 2a42 n LEU 45 Cb 0.69 -2.27 -0.04 0.00 -2.33 0.00 0.00 43.42 39.47 2a42 n LEU 45 CO 0.05 -0.84 0.84 0.58 -1.33 0.00 0.00 177.39 176.69 2a42 h VAL 46 N 0.00 1.20 -0.70 4.08 2.07 -1.93 -0.00 116.25 120.96 2a42 h VAL 46 Ca -0.20 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 2a42 h VAL 46 Cb 0.97 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2a42 h VAL 46 CO 0.29 0.20 0.26 0.00 0.02 0.00 0.00 177.57 178.34 2a42 h ALA 47 N 0.89 0.91 -0.45 1.67 0.00 -1.90 -0.50 119.26 119.88 2a42 h ALA 47 Ca 0.08 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2a42 h ALA 47 Cb 0.25 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2a42 h ALA 47 CO -0.00 0.55 0.24 0.28 0.00 0.00 0.00 179.25 180.33 2a42 h VAL 48 N 1.01 1.01 -0.50 0.00 2.07 -1.92 -0.69 116.25 117.22 2a42 h VAL 48 Ca 0.23 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 2a42 h VAL 48 Cb 0.24 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2a42 h VAL 48 CO -0.01 0.09 0.13 1.23 0.02 0.00 0.00 177.57 179.03 2a42 h GLY 49 N 0.49 0.81 1.02 2.17 0.00 -0.63 -0.95 103.07 106.00 2a42 h GLY 49 Ca 0.18 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 2a42 h GLY 49 CO -0.11 0.42 -0.05 0.50 0.00 0.00 0.00 176.54 177.31 2a42 h LYS 50 N 0.74 0.90 -0.32 4.80 1.57 -0.79 0.62 116.57 124.08 2a42 h LYS 50 Ca 0.17 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2a42 h LYS 50 Cb 0.26 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2a42 h LYS 50 CO -0.00 0.95 0.14 1.25 -0.57 0.00 0.00 179.45 181.22 2a42 h LEU 51 N 0.75 0.44 -1.13 2.94 5.85 -0.85 -2.10 115.31 121.21 2a42 h LEU 51 Ca 0.13 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2a42 h LEU 51 Cb 0.58 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2a42 h LEU 51 CO 0.03 0.47 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.50 2a42 h LEU 52 N 0.38 0.54 -0.42 2.25 3.38 -1.01 -1.03 115.31 119.40 2a42 h LEU 52 Ca 0.11 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2a42 h LEU 52 Cb 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2a42 h LEU 52 CO -0.01 0.64 0.25 0.44 0.09 0.00 0.00 178.44 179.84 2a42 h ASP 53 N 0.54 0.40 -0.43 -0.43 3.32 -0.59 -0.12 116.42 119.11 2a42 h ASP 53 Ca 0.11 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2a42 h ASP 53 Cb 0.40 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2a42 h ASP 53 CO 0.02 0.29 0.13 1.88 -1.72 0.00 0.00 179.24 179.84 2a42 h TYR 54 N 0.50 0.69 -0.16 4.55 0.05 -1.03 -1.35 116.97 120.22 2a42 h TYR 54 Ca 0.16 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.79 2a42 h TYR 54 Cb 0.00 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 2a42 h TYR 54 CO -0.07 0.63 -0.25 -0.07 -1.05 0.00 0.00 178.16 177.35 2a42 h LEU 55 N 0.55 0.28 -3.10 3.88 3.38 -0.88 -3.16 115.31 116.26 2a42 h LEU 55 Ca 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2a42 h LEU 55 Cb 0.27 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2a42 h LEU 55 CO -0.00 0.54 0.00 0.59 0.09 0.00 0.00 178.44 179.66 2a42 n ASN 56 N -4.15 3.74 -0.27 -0.43 3.02 -0.09 -4.66 115.26 112.42 2a42 n ASN 56 Ca -0.01 -2.53 -0.02 0.00 -0.03 0.00 0.00 54.58 52.00 2a42 n ASN 56 Cb 0.37 -0.44 0.16 0.00 -0.61 0.00 0.00 39.78 39.26 2a42 n ASN 56 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 2a42 h GLN 57 N 2.37 1.11 0.00 3.52 3.07 -1.21 -3.27 115.11 120.70 2a42 h GLN 57 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 58.65 58.62 2a42 h GLN 57 Cb 1.19 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 28.53 2a42 h GLN 57 CO 0.15 0.80 -0.19 -0.44 0.09 0.00 0.00 178.83 179.24 2a42 h ASP 58 N 1.12 0.00 -3.78 0.06 3.32 -1.85 -3.45 116.42 111.84 2a42 h ASP 58 Ca 0.29 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.70 2a42 h ASP 58 Cb 0.01 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.40 2a42 h ASP 58 CO -0.05 0.30 -0.37 -0.62 -1.72 0.00 0.00 179.24 176.78 2a42 s ASP 59 N -4.38 6.16 0.24 6.45 -1.08 -1.25 -4.96 116.67 117.85 2a42 s ASP 59 Ca -0.06 0.16 0.22 0.00 -0.52 0.00 0.00 52.55 52.36 2a42 s ASP 59 Cb 0.01 -2.17 0.96 0.00 -1.46 0.00 0.00 42.92 40.26 2a42 s ASP 59 CO 0.08 -0.11 1.67 -0.81 0.52 0.00 0.00 175.17 176.51 2a42 n PRO 60 N 5.14 0.17 -0.84 4.34 -0.04 -1.23 -2.23 135.00 140.31 2a42 n PRO 60 Ca -0.11 0.45 -0.06 0.00 -0.04 0.00 0.00 63.50 63.74 2a42 n PRO 60 Cb 0.51 -1.85 0.21 0.00 -0.04 0.00 0.00 33.50 32.33 2a42 n PRO 60 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2a42 n ASN 61 N -2.17 2.98 0.05 3.54 3.02 -1.26 -4.67 115.26 116.75 2a42 n ASN 61 Ca 0.02 -3.63 -0.12 0.00 -0.03 0.00 0.00 54.58 50.82 2a42 n ASN 61 Cb 0.19 -0.66 -0.07 0.00 -0.61 0.00 0.00 39.78 38.62 2a42 n ASN 61 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2a42 h THR 62 N 1.18 0.99 -4.07 3.41 2.02 -1.72 -3.41 112.91 111.32 2a42 h THR 62 Ca 0.26 -0.04 -0.43 0.00 0.77 0.00 0.00 66.41 66.98 2a42 h THR 62 Cb 1.87 1.01 -0.26 0.00 -1.74 0.00 0.00 68.15 69.02 2a42 h THR 62 CO 0.50 0.01 -0.79 -0.31 0.37 0.00 0.00 175.52 175.30 2a42 s TYR 63 N -6.12 1.09 0.41 3.16 1.51 -1.26 -4.31 117.35 111.82 2a42 s TYR 63 Ca -0.13 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 55.72 2a42 s TYR 63 Cb 0.06 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 2a42 s TYR 63 CO 0.66 0.00 0.22 -1.01 -1.11 0.00 0.00 175.55 174.31 2a42 s HIS 64 N -0.60 2.64 0.15 2.71 3.76 0.64 -4.92 115.29 119.67 2a42 s HIS 64 Ca 0.02 -0.54 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 2a42 s HIS 64 Cb -0.06 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.61 2a42 s HIS 64 CO 0.00 0.13 -0.06 1.52 -0.85 0.00 0.00 174.74 175.48 2a42 s TYR 65 N -2.55 1.23 -0.05 1.40 1.13 -1.26 -1.56 117.35 115.68 2a42 s TYR 65 Ca 0.42 -0.86 -0.00 0.00 -1.41 0.00 0.00 57.07 55.22 2a42 s TYR 65 Cb 0.02 -0.67 0.03 0.00 -1.10 0.00 0.00 41.96 40.24 2a42 s TYR 65 CO 0.24 -0.03 -0.01 0.08 -2.51 0.00 0.00 175.55 173.31 2a42 s VAL 66 N -3.46 0.39 0.02 -3.49 1.01 -0.39 -5.00 120.40 109.48 2a42 s VAL 66 Ca 0.19 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.23 2a42 s VAL 66 Cb 0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 2a42 s VAL 66 CO 0.01 0.23 -0.08 0.54 0.00 0.00 0.00 175.10 175.80 2a42 s VAL 67 N 1.45 0.65 0.60 2.92 0.11 -1.26 -0.34 120.40 124.53 2a42 s VAL 67 Ca -0.03 -0.63 -0.06 0.00 -2.93 0.00 0.00 61.98 58.33 2a42 s VAL 67 Cb -0.13 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 2a42 s VAL 67 CO -0.03 -0.02 0.91 -0.94 -3.33 0.00 0.00 175.10 171.69 2a42 s SER 68 N -0.72 5.46 1.05 3.54 1.04 -0.38 -5.01 113.70 118.68 2a42 s SER 68 Ca -0.01 0.63 -0.13 0.00 0.48 0.00 0.00 55.95 56.93 2a42 s SER 68 Cb -0.06 -1.57 0.22 0.00 0.10 0.00 0.00 66.02 64.71 2a42 s SER 68 CO 0.00 -1.15 1.08 -1.61 0.98 0.00 0.00 173.24 172.54 2a42 s GLU 69 N -5.01 0.03 0.16 4.02 0.41 -1.26 -4.73 118.70 112.31 2a42 s GLU 69 Ca 0.55 0.55 -0.31 0.00 -0.41 0.00 0.00 54.97 55.35 2a42 s GLU 69 Cb -0.11 -1.69 -0.09 0.00 -1.78 0.00 0.00 34.13 30.47 2a42 s GLU 69 CO 0.45 -3.01 1.41 -2.14 -0.49 0.00 0.00 175.26 171.47 2a42 s PRO 70 N -4.86 4.31 0.00 0.39 0.02 -1.26 -4.48 135.00 129.12 2a42 s PRO 70 Ca 0.66 2.15 0.08 0.00 0.02 0.00 0.00 61.00 63.91 2a42 s PRO 70 Cb -0.20 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.09 2a42 s PRO 70 CO 0.59 -0.43 -0.24 -0.51 -0.33 0.00 0.00 177.00 176.08 2a42 s LEU 71 N 0.68 2.19 0.00 -5.54 1.43 0.33 -4.81 118.68 112.96 2a42 s LEU 71 Ca 0.63 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2a42 s LEU 71 Cb -0.39 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.48 2a42 s LEU 71 CO 0.34 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.83 2a42 n GLY 72 N 2.16 2.37 0.19 -3.19 0.00 -1.17 -1.07 105.19 104.48 2a42 n GLY 72 Ca -0.16 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.06 2a42 n GLY 72 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2a42 h ARG 73 N 0.00 0.00 0.00 1.61 2.47 -1.80 -3.47 114.38 113.18 2a42 h ARG 73 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2a42 h ARG 73 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2a42 h ARG 73 CO 0.00 0.30 0.00 0.27 0.56 0.00 0.00 179.97 181.10 2a42 n ASN 74 N -3.31 0.23 0.11 7.04 2.04 -1.26 -5.05 115.26 115.06 2a42 n ASN 74 Ca 0.01 0.00 0.01 0.00 -0.44 0.00 0.00 54.58 54.16 2a42 n ASN 74 Cb 0.54 0.00 0.33 0.00 -2.53 0.00 0.00 39.78 38.12 2a42 n ASN 74 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2a42 h SER 75 N 0.00 0.24 -2.94 0.53 4.64 -2.01 -3.40 113.55 110.61 2a42 h SER 75 Ca 0.00 -0.07 -0.57 0.00 -0.47 0.00 0.00 61.79 60.68 2a42 h SER 75 Cb 0.00 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 2a42 h SER 75 CO 0.00 0.48 1.17 -0.47 -0.87 0.00 0.00 176.83 177.13 2a42 s TYR 76 N -4.52 2.10 0.11 4.77 5.04 -1.26 -4.99 117.35 118.60 2a42 s TYR 76 Ca -0.05 0.64 0.09 0.00 -2.44 0.00 0.00 57.07 55.31 2a42 s TYR 76 Cb 0.15 -4.18 -0.04 0.00 0.35 0.00 0.00 41.96 38.24 2a42 s TYR 76 CO 0.75 -2.53 -0.22 0.15 -1.34 0.00 0.00 175.55 172.35 2a42 s LYS 77 N 5.20 1.20 0.01 4.97 1.02 -1.26 -4.44 119.74 126.45 2a42 s LYS 77 Ca 0.71 -1.23 -0.02 0.00 0.02 0.00 0.00 55.97 55.45 2a42 s LYS 77 Cb -0.19 -1.51 -0.01 0.00 -0.52 0.00 0.00 37.83 35.60 2a42 s LYS 77 CO 0.32 0.35 0.02 -1.21 -0.92 0.00 0.00 175.35 173.91 2a42 s GLU 78 N -2.01 0.35 0.19 1.68 2.02 -0.24 -4.70 118.70 116.00 2a42 s GLU 78 Ca 0.09 -0.54 0.06 0.00 0.02 0.00 0.00 54.97 54.60 2a42 s GLU 78 Cb -0.10 0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.23 2a42 s GLU 78 CO 0.05 -0.07 0.11 1.03 0.02 0.00 0.00 175.26 176.40 2a42 s ARG 79 N -1.41 2.76 -0.05 1.61 0.52 0.12 -0.51 118.95 122.00 2a42 s ARG 79 Ca -0.15 -0.99 -0.15 0.00 -0.52 0.00 0.00 55.73 53.92 2a42 s ARG 79 Cb -0.09 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.79 2a42 s ARG 79 CO -0.00 0.45 0.39 0.71 0.02 0.00 0.00 175.30 176.87 2a42 s TYR 80 N -1.86 3.65 -0.11 -0.53 2.02 -1.26 -3.12 117.35 116.14 2a42 s TYR 80 Ca 0.31 0.91 -0.00 0.00 -0.37 0.00 0.00 57.07 57.91 2a42 s TYR 80 Cb -0.09 -2.33 0.02 0.00 -0.40 0.00 0.00 41.96 39.16 2a42 s TYR 80 CO 0.22 0.51 -0.08 -1.17 -1.57 0.00 0.00 175.55 173.47 2a42 s LEU 81 N -0.57 1.19 -0.19 -1.29 2.96 -0.54 -1.25 118.68 118.99 2a42 s LEU 81 Ca 0.23 -0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 53.74 2a42 s LEU 81 Cb -0.16 -0.82 -0.05 0.00 0.50 0.00 0.00 46.19 45.67 2a42 s LEU 81 CO 0.11 -0.11 0.17 -0.36 -1.32 0.00 0.00 176.35 174.84 2a42 s PHE 82 N 1.64 3.42 -0.10 5.38 0.40 0.54 0.03 117.98 129.29 2a42 s PHE 82 Ca 0.03 0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.75 2a42 s PHE 82 Cb -0.13 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 2a42 s PHE 82 CO -0.07 0.28 -0.06 -0.51 0.70 0.00 0.00 175.22 175.56 2a42 s LEU 83 N 0.38 3.17 0.03 -0.37 1.43 -0.03 -1.27 118.68 122.03 2a42 s LEU 83 Ca 0.10 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 2a42 s LEU 83 Cb -0.11 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2a42 s LEU 83 CO -0.01 0.29 0.10 0.72 0.23 0.00 0.00 176.35 177.69 2a42 s PHE 84 N -0.40 0.16 -0.36 0.29 -0.71 -0.60 -0.69 117.98 115.68 2a42 s PHE 84 Ca 0.06 -0.41 -0.21 0.00 -1.04 0.00 0.00 56.93 55.33 2a42 s PHE 84 Cb -0.12 -0.12 0.00 0.00 -1.21 0.00 0.00 43.02 41.57 2a42 s PHE 84 CO 0.02 -0.33 0.66 1.03 -1.34 0.00 0.00 175.22 175.26 2a42 s ARG 85 N -2.20 3.70 0.42 1.99 0.52 -0.44 -0.26 118.95 122.67 2a42 s ARG 85 Ca -0.08 0.11 0.29 0.00 -0.52 0.00 0.00 55.73 55.52 2a42 s ARG 85 Cb -0.04 -3.81 1.43 0.00 0.52 0.00 0.00 34.95 33.06 2a42 s ARG 85 CO -0.03 -0.75 1.88 -1.00 0.02 0.00 0.00 175.30 175.42 2a42 h PRO 86 N 8.46 0.00 0.00 3.54 0.13 -1.75 0.04 132.00 142.41 2a42 h PRO 86 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2a42 h PRO 86 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2a42 h PRO 86 CO 0.85 0.00 -0.08 -2.95 -0.23 0.00 0.00 178.00 175.59 2a42 h ASN 87 N 0.00 0.00 0.02 1.44 -1.07 -1.89 -3.37 115.58 110.71 2a42 h ASN 87 Ca 0.00 -0.01 -0.38 0.00 0.07 0.00 0.00 56.30 55.98 2a42 h ASN 87 Cb 0.18 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.38 2a42 h ASN 87 CO 0.00 0.00 -2.16 0.29 0.07 0.00 0.00 177.43 175.64 2a42 n LYS 88 N -2.79 0.63 -4.16 4.14 4.76 -0.07 -5.04 118.16 115.65 2a42 n LYS 88 Ca 0.04 0.30 -0.10 0.00 -2.87 0.00 0.00 58.31 55.68 2a42 n LYS 88 Cb 0.50 -1.59 -0.10 0.00 -1.84 0.00 0.00 35.03 31.99 2a42 n LYS 88 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2a42 s VAL 89 N -2.49 0.36 -0.00 -0.18 -7.23 -0.78 -4.28 120.40 105.79 2a42 s VAL 89 Ca -0.33 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 57.98 2a42 s VAL 89 Cb 0.10 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 2a42 s VAL 89 CO 0.60 -0.68 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.14 2a42 s SER 90 N -3.04 1.48 -0.15 4.85 0.01 -0.75 -3.98 113.70 112.12 2a42 s SER 90 Ca 0.17 -0.26 -0.25 0.00 1.31 0.00 0.00 55.95 56.92 2a42 s SER 90 Cb 0.07 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 2a42 s SER 90 CO -0.02 0.13 0.81 -0.69 0.41 0.00 0.00 173.24 173.89 2a42 s VAL 91 N -0.38 4.91 -0.14 3.43 1.01 -1.26 -0.93 120.40 127.04 2a42 s VAL 91 Ca 0.04 1.61 0.19 0.00 0.00 0.00 0.00 61.98 63.82 2a42 s VAL 91 Cb -0.05 -4.13 -0.26 0.00 0.00 0.00 0.00 36.38 31.94 2a42 s VAL 91 CO -0.00 0.07 0.27 0.18 0.00 0.00 0.00 175.10 175.62 2a42 n LEU 92 N 4.97 0.11 -3.62 3.92 4.77 0.17 -4.95 117.00 122.37 2a42 n LEU 92 Ca 0.04 0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2a42 n LEU 92 Cb 0.49 0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.86 2a42 n LEU 92 CO 0.48 0.32 1.06 -0.62 -1.33 0.00 0.00 177.39 177.30 2a42 s ASP 93 N -5.26 -0.12 0.03 -1.43 3.68 -1.23 -5.00 116.67 107.35 2a42 s ASP 93 Ca -0.09 0.09 -0.10 0.00 2.13 0.00 0.00 52.55 54.58 2a42 s ASP 93 Cb 0.09 0.10 0.01 0.00 -1.45 0.00 0.00 42.92 41.67 2a42 s ASP 93 CO 0.85 -0.13 0.21 0.42 0.13 0.00 0.00 175.17 176.65 2a42 s THR 94 N -1.45 0.10 0.16 1.71 -4.23 -1.26 -0.61 115.64 110.05 2a42 s THR 94 Ca 0.07 -0.82 -0.24 0.00 -1.18 0.00 0.00 61.69 59.52 2a42 s THR 94 Cb -0.01 -0.84 0.06 0.00 1.34 0.00 0.00 72.50 73.05 2a42 s THR 94 CO -0.05 -0.45 0.76 -0.72 -0.54 0.00 0.00 174.62 173.62 2a42 s TYR 95 N -2.36 -0.33 -0.15 3.99 -0.85 -0.29 -5.01 117.35 112.35 2a42 s TYR 95 Ca -0.07 0.05 -0.02 0.00 -0.52 0.00 0.00 57.07 56.51 2a42 s TYR 95 Cb -0.02 0.61 -0.02 0.00 0.38 0.00 0.00 41.96 42.91 2a42 s TYR 95 CO -0.03 -0.89 -0.08 -1.14 -1.52 0.00 0.00 175.55 171.90 2a42 s GLN 96 N -3.58 3.54 0.22 -3.49 0.74 -1.26 -0.68 119.66 115.15 2a42 s GLN 96 Ca 0.07 -0.60 -0.32 0.00 0.05 0.00 0.00 55.36 54.56 2a42 s GLN 96 Cb -0.02 -2.79 -0.13 0.00 1.10 0.00 0.00 33.01 31.17 2a42 s GLN 96 CO -0.04 0.22 1.56 0.98 -0.55 0.00 0.00 175.29 177.46 2a42 n TYR 97 N 3.56 2.47 -0.14 1.67 9.36 -0.23 -4.85 117.16 128.99 2a42 n TYR 97 Ca -0.18 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.31 2a42 n TYR 97 Cb 0.53 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 2a42 n TYR 97 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 2a42 n ASP 98 N 2.88 0.03 0.00 2.98 3.85 -1.26 -4.68 116.55 120.35 2a42 n ASP 98 Ca 0.13 -0.23 0.00 0.00 -0.71 0.00 0.00 54.79 53.98 2a42 n ASP 98 Cb 0.32 0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.22 2a42 n ASP 98 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 2a42 n ASP 99 N -0.12 0.00 0.00 -1.12 2.03 -1.26 -4.92 116.55 111.15 2a42 n ASP 99 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2a42 n ASP 99 Cb 0.04 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 2a42 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a42 n GLY 105 N 0.00 -0.18 0.00 0.27 0.00 -1.26 -5.27 105.19 98.75 2a42 n GLY 105 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2a42 n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a42 n ASN 106 N -2.17 0.00 -0.02 1.61 5.03 -1.25 -1.35 115.26 117.10 2a42 n ASN 106 Ca 0.00 0.30 -0.10 0.00 0.87 0.00 0.00 54.58 55.65 2a42 n ASN 106 Cb 0.00 -0.38 0.05 0.00 -1.02 0.00 0.00 39.78 38.43 2a42 n ASN 106 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 2a42 h ASP 107 N 0.00 0.71 0.02 6.41 5.19 -1.98 -3.37 116.42 123.40 2a42 h ASP 107 Ca 0.00 -0.36 -0.37 0.00 -0.62 0.00 0.00 57.03 55.68 2a42 h ASP 107 Cb 0.12 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 39.36 2a42 h ASP 107 CO 0.00 1.08 -2.37 -1.20 -3.12 0.00 0.00 179.24 173.63 2a42 n SER 108 N -3.99 0.27 -4.08 6.45 7.64 -0.45 -4.98 113.62 114.47 2a42 n SER 108 Ca -0.03 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.68 2a42 n SER 108 Cb 0.58 0.79 -0.13 0.00 -1.01 0.00 0.00 64.21 64.43 2a42 n SER 108 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2a42 s PHE 109 N -2.50 0.94 0.16 1.43 0.40 -0.58 -4.65 117.98 113.18 2a42 s PHE 109 Ca -0.13 -0.33 -0.06 0.00 -0.60 0.00 0.00 56.93 55.81 2a42 s PHE 109 Cb 0.06 -0.56 0.02 0.00 0.51 0.00 0.00 43.02 43.05 2a42 s PHE 109 CO 0.80 -0.00 1.45 1.03 0.70 0.00 0.00 175.22 179.20 2a42 h SER 110 N 5.07 0.74 -4.26 1.36 0.87 -1.86 -3.35 113.55 112.12 2a42 h SER 110 Ca -0.35 -0.41 -0.64 0.00 -1.23 0.00 0.00 61.79 59.15 2a42 h SER 110 Cb 1.19 -0.21 -0.41 0.00 -0.44 0.00 0.00 62.40 62.53 2a42 h SER 110 CO 0.44 1.16 -0.64 -0.13 -0.53 0.00 0.00 176.83 177.14 2a42 s ARG 111 N -3.96 1.90 -0.09 2.24 0.52 -1.26 -3.04 118.95 115.26 2a42 s ARG 111 Ca -0.08 -2.50 -0.37 0.00 -0.52 0.00 0.00 55.73 52.25 2a42 s ARG 111 Cb 0.11 -3.30 -0.15 0.00 0.52 0.00 0.00 34.95 32.12 2a42 s ARG 111 CO 0.86 -1.08 1.65 0.39 0.02 0.00 0.00 175.30 177.14 2a42 n GLU 112 N 3.30 1.48 -1.62 3.54 4.71 -1.26 -4.72 120.64 126.07 2a42 n GLU 112 Ca 0.05 0.54 -0.48 0.00 -0.01 0.00 0.00 57.16 57.26 2a42 n GLU 112 Cb 0.34 -2.26 -0.04 0.00 -1.01 0.00 0.00 31.44 28.47 2a42 n GLU 112 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2a42 n PRO 113 N 4.64 1.52 -2.88 3.49 -0.02 -1.26 -4.68 135.00 135.81 2a42 n PRO 113 Ca 0.22 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.84 2a42 n PRO 113 Cb 0.20 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 2a42 n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a42 s ALA 114 N 0.09 3.33 -0.12 3.55 0.00 -1.24 -1.07 121.76 126.30 2a42 s ALA 114 Ca 0.74 0.41 0.02 0.00 0.00 0.00 0.00 51.96 53.13 2a42 s ALA 114 Cb -0.79 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 19.24 2a42 s ALA 114 CO 0.49 0.07 -0.16 0.08 0.00 0.00 0.00 175.76 176.23 2a42 s VAL 115 N -0.23 1.62 -0.09 0.00 1.01 0.14 -0.99 120.40 121.87 2a42 s VAL 115 Ca 0.41 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.73 2a42 s VAL 115 Cb -0.22 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2a42 s VAL 115 CO 0.26 0.47 -0.21 -0.69 0.00 0.00 0.00 175.10 174.92 2a42 s VAL 116 N 1.08 1.84 -0.20 2.92 1.01 -0.47 -1.14 120.40 125.44 2a42 s VAL 116 Ca -0.04 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 2a42 s VAL 116 Cb -0.14 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2a42 s VAL 116 CO -0.04 0.51 0.38 -0.75 0.00 0.00 0.00 175.10 175.21 2a42 s LYS 117 N 0.36 4.18 -0.01 2.72 2.20 0.22 -0.71 119.74 128.69 2a42 s LYS 117 Ca -0.16 0.18 0.02 0.00 -0.36 0.00 0.00 55.97 55.65 2a42 s LYS 117 Cb -0.17 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 2a42 s LYS 117 CO 0.07 -0.02 -0.05 -0.06 -0.36 0.00 0.00 175.35 174.93 2a42 s PHE 118 N 1.25 2.93 0.13 4.03 0.08 0.24 -0.65 117.98 125.99 2a42 s PHE 118 Ca 0.19 -0.00 0.03 0.00 0.12 0.00 0.00 56.93 57.27 2a42 s PHE 118 Cb -0.15 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 2a42 s PHE 118 CO 0.08 0.38 0.17 -1.54 -0.10 0.00 0.00 175.22 174.21 2a42 s SER 119 N -1.34 5.83 -0.28 1.36 1.04 -0.10 -1.77 113.70 118.44 2a42 s SER 119 Ca 0.17 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.63 2a42 s SER 119 Cb -0.11 -1.63 0.17 0.00 0.10 0.00 0.00 66.02 64.55 2a42 s SER 119 CO 0.07 0.10 0.49 -0.55 0.98 0.00 0.00 173.24 174.33 2a42 s SER 120 N -2.93 -0.59 0.09 7.02 0.15 0.13 -1.80 113.70 115.78 2a42 s SER 120 Ca 0.32 0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.41 2a42 s SER 120 Cb -0.11 1.61 0.09 0.00 -1.71 0.00 0.00 66.02 65.90 2a42 s SER 120 CO 0.25 -0.30 1.07 0.00 1.20 0.00 0.00 173.24 175.46 2a42 n HIS 121 N 5.39 0.46 1.18 3.44 1.44 -1.26 -3.80 115.22 122.07 2a42 n HIS 121 Ca 0.00 0.13 0.14 0.00 -2.01 0.00 0.00 57.72 55.99 2a42 n HIS 121 Cb 0.51 -0.60 0.67 0.00 0.12 0.00 0.00 29.99 30.70 2a42 n HIS 121 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2a42 n SER 122 N -2.16 0.01 -4.41 4.39 3.41 -1.26 -4.93 113.62 108.67 2a42 n SER 122 Ca 0.02 0.22 -0.21 0.00 -0.26 0.00 0.00 58.87 58.63 2a42 n SER 122 Cb 0.47 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.92 2a42 n SER 122 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2a42 s THR 123 N -2.82 1.95 0.15 6.66 -4.23 -1.25 -4.94 115.64 111.16 2a42 s THR 123 Ca 0.20 -2.25 -0.19 0.00 -1.18 0.00 0.00 61.69 58.27 2a42 s THR 123 Cb 0.20 -2.24 0.04 0.00 1.34 0.00 0.00 72.50 71.83 2a42 s THR 123 CO 0.50 -0.45 1.67 0.11 -0.54 0.00 0.00 174.62 175.91 2a42 h LYS 124 N 2.39 -0.07 -6.81 3.99 1.57 -1.90 -3.39 116.57 112.34 2a42 h LYS 124 Ca -0.39 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.87 2a42 h LYS 124 Cb 1.24 0.02 0.06 0.00 0.08 0.00 0.00 32.23 33.62 2a42 h LYS 124 CO 0.63 -0.05 0.68 0.08 -0.57 0.00 0.00 179.45 180.22 2a42 s VAL 125 N -6.18 2.76 -0.21 0.50 1.01 -1.26 -4.97 120.40 112.05 2a42 s VAL 125 Ca -0.14 0.71 0.08 0.00 0.00 0.00 0.00 61.98 62.62 2a42 s VAL 125 Cb 0.12 -3.45 -0.18 0.00 0.00 0.00 0.00 36.38 32.87 2a42 s VAL 125 CO 0.69 0.14 -0.10 0.29 0.00 0.00 0.00 175.10 176.13 2a42 n LYS 126 N 1.49 0.75 -4.12 2.72 4.01 -1.26 -4.66 118.16 117.09 2a42 n LYS 126 Ca 0.03 0.08 -0.17 0.00 -0.51 0.00 0.00 58.31 57.74 2a42 n LYS 126 Cb 0.41 -1.47 -0.15 0.00 -0.51 0.00 0.00 35.03 33.31 2a42 n LYS 126 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2a42 s GLU 127 N -2.46 0.48 0.04 1.97 2.02 -1.26 0.22 118.70 119.71 2a42 s GLU 127 Ca -0.23 -0.13 -0.19 0.00 0.02 0.00 0.00 54.97 54.44 2a42 s GLU 127 Cb 0.07 -0.50 0.04 0.00 0.10 0.00 0.00 34.13 33.84 2a42 s GLU 127 CO 0.63 0.03 0.44 -0.59 0.02 0.00 0.00 175.26 175.79 2a42 s PHE 128 N 0.27 -0.32 0.03 1.61 -0.71 -0.73 -4.79 117.98 113.34 2a42 s PHE 128 Ca -0.03 0.33 0.02 0.00 -1.04 0.00 0.00 56.93 56.20 2a42 s PHE 128 Cb -0.07 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 2a42 s PHE 128 CO -0.00 -0.58 0.05 0.00 -1.34 0.00 0.00 175.22 173.35 2a42 s ALA 129 N -2.35 3.47 -0.15 1.99 0.00 -0.22 -0.59 121.76 123.91 2a42 s ALA 129 Ca -0.06 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 2a42 s ALA 129 Cb -0.01 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 2a42 s ALA 129 CO -0.01 0.70 -0.13 0.42 0.00 0.00 0.00 175.76 176.74 2a42 s ILE 130 N -1.24 2.92 -0.24 0.00 1.01 0.11 0.12 121.20 123.89 2a42 s ILE 130 Ca 0.24 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 60.11 2a42 s ILE 130 Cb -0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2a42 s ILE 130 CO 0.16 0.51 0.12 -0.69 0.00 0.00 0.00 174.94 175.04 2a42 s VAL 131 N 0.68 4.97 -0.17 2.92 1.01 0.12 -1.37 120.40 128.55 2a42 s VAL 131 Ca -0.07 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 2a42 s VAL 131 Cb -0.15 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2a42 s VAL 131 CO 0.02 0.35 0.16 0.00 0.00 0.00 0.00 175.10 175.63 2a42 s ALA 132 N 1.19 3.73 -0.04 5.51 0.00 -0.16 -1.44 121.76 130.54 2a42 s ALA 132 Ca 0.06 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 2a42 s ALA 132 Cb -0.14 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 20.87 2a42 s ALA 132 CO 0.05 0.29 0.08 -1.17 0.00 0.00 0.00 175.76 175.00 2a42 s LEU 133 N -0.05 0.69 -0.42 0.00 2.96 -0.80 -3.61 118.68 117.44 2a42 s LEU 133 Ca 0.11 0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 54.10 2a42 s LEU 133 Cb -0.12 0.06 0.09 0.00 0.50 0.00 0.00 46.19 46.73 2a42 s LEU 133 CO 0.01 -0.17 0.24 -2.28 -1.32 0.00 0.00 176.35 172.83 2a42 s HIS 134 N 1.43 3.41 0.64 5.38 5.65 -1.26 -2.69 115.29 127.85 2a42 s HIS 134 Ca -0.05 -1.83 -0.12 0.00 0.25 0.00 0.00 55.06 53.30 2a42 s HIS 134 Cb -0.12 -3.05 -0.02 0.00 -1.18 0.00 0.00 32.58 28.21 2a42 s HIS 134 CO -0.04 -0.90 1.05 -1.54 -0.65 0.00 0.00 174.74 172.65 2a42 s SER 135 N 2.08 5.76 -0.16 9.88 1.04 0.01 -4.64 113.70 127.67 2a42 s SER 135 Ca 0.04 1.60 -0.29 0.00 0.48 0.00 0.00 55.95 57.78 2a42 s SER 135 Cb -0.23 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.38 2a42 s SER 135 CO -0.00 -1.19 1.26 0.00 0.98 0.00 0.00 173.24 174.29 2a42 s ALA 136 N -2.94 3.65 0.26 5.32 0.00 -1.26 -4.83 121.76 121.96 2a42 s ALA 136 Ca 0.58 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 2a42 s ALA 136 Cb -0.13 -3.61 0.43 0.00 0.00 0.00 0.00 23.12 19.80 2a42 s ALA 136 CO 0.50 -1.15 1.84 -1.00 0.00 0.00 0.00 175.76 175.95 2a42 h PRO 137 N 8.17 0.94 0.00 0.00 0.13 -1.94 0.18 132.00 139.48 2a42 h PRO 137 Ca -0.27 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2a42 h PRO 137 Cb 1.11 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2a42 h PRO 137 CO 0.96 0.62 0.00 -1.13 -0.23 0.00 0.00 178.00 178.23 2a42 n SER 138 N -4.63 0.26 -0.53 1.44 3.41 -1.26 -2.39 113.62 109.92 2a42 n SER 138 Ca 0.15 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 2a42 n SER 138 Cb 0.26 -0.62 0.20 0.00 -0.26 0.00 0.00 64.21 63.79 2a42 n SER 138 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2a42 n ASP 139 N -1.78 3.16 -0.19 4.04 8.00 -0.02 -4.86 116.55 124.90 2a42 n ASP 139 Ca 0.03 -2.93 -0.07 0.00 0.71 0.00 0.00 54.79 52.53 2a42 n ASP 139 Cb 0.21 -0.46 0.02 0.00 -0.02 0.00 0.00 41.12 40.88 2a42 n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a42 h ALA 140 N 1.06 0.70 0.11 2.24 0.00 -1.01 -1.19 119.26 121.17 2a42 h ALA 140 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2a42 h ALA 140 Cb 1.19 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2a42 h ALA 140 CO 0.12 0.21 -0.31 0.28 0.00 0.00 0.00 179.25 179.54 2a42 h VAL 141 N 0.74 0.33 -0.74 0.00 2.07 -1.86 0.26 116.25 117.04 2a42 h VAL 141 Ca 0.19 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 2a42 h VAL 141 Cb 0.03 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2a42 h VAL 141 CO -0.03 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.01 2a42 h ALA 142 N 0.14 0.94 -0.29 1.67 0.00 -1.88 -0.90 119.26 118.95 2a42 h ALA 142 Ca 0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2a42 h ALA 142 Cb 0.56 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2a42 h ALA 142 CO -0.19 0.41 -0.19 0.93 0.00 0.00 0.00 179.25 180.21 2a42 h GLU 143 N 1.01 0.64 -0.69 0.00 5.08 -0.86 -0.37 114.58 119.39 2a42 h GLU 143 Ca 0.27 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2a42 h GLU 143 Cb -0.04 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2a42 h GLU 143 CO -0.05 0.89 0.25 0.82 -1.00 0.00 0.00 179.01 179.92 2a42 h ILE 144 N 0.38 1.25 -0.94 3.13 2.04 -0.88 -2.19 117.51 120.30 2a42 h ILE 144 Ca 0.06 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.12 2a42 h ILE 144 Cb 0.73 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 2a42 h ILE 144 CO 0.05 0.32 0.62 -1.13 0.00 0.00 0.00 178.15 178.01 2a42 h ASN 145 N 0.99 1.06 0.06 1.72 -1.24 -1.06 -2.19 115.58 114.92 2a42 h ASN 145 Ca 0.23 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.21 2a42 h ASN 145 Cb 0.25 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 2a42 h ASN 145 CO -0.01 0.75 -0.04 0.28 -1.29 0.00 0.00 177.43 177.12 2a42 h SER 146 N 1.24 0.00 -0.10 1.15 0.02 -0.45 -2.08 113.55 113.32 2a42 h SER 146 Ca 0.36 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.34 2a42 h SER 146 Cb -0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2a42 h SER 146 CO -0.10 0.04 0.12 -0.07 -1.14 0.00 0.00 176.83 175.68 2a42 h LEU 147 N 0.00 0.00 -0.84 5.07 3.38 -0.94 0.39 115.31 122.37 2a42 h LEU 147 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2a42 h LEU 147 Cb 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2a42 h LEU 147 CO 0.00 0.00 0.55 0.22 0.09 0.00 0.00 178.44 179.30 2a42 h TYR 148 N 0.00 1.04 -0.29 1.13 3.20 -1.48 0.11 116.97 120.66 2a42 h TYR 148 Ca 0.05 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 2a42 h TYR 148 Cb 0.28 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2a42 h TYR 148 CO 0.00 0.62 -0.40 -0.44 -1.64 0.00 0.00 178.16 176.30 2a42 h ASP 149 N 1.09 0.76 -0.65 -2.11 3.32 -1.11 -2.15 116.42 115.56 2a42 h ASP 149 Ca 0.32 -0.34 0.04 0.00 0.02 0.00 0.00 57.03 57.07 2a42 h ASP 149 Cb -0.06 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 2a42 h ASP 149 CO -0.09 1.07 0.39 0.58 -1.72 0.00 0.00 179.24 179.47 2a42 h VAL 150 N 0.58 1.05 -0.46 -1.35 2.07 -0.78 -1.77 116.25 115.59 2a42 h VAL 150 Ca 0.05 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.36 2a42 h VAL 150 Cb 0.94 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2a42 h VAL 150 CO 0.09 0.14 0.18 0.22 0.02 0.00 0.00 177.57 178.21 2a42 h TYR 151 N 0.76 0.32 -0.53 1.57 3.20 -0.55 -1.73 116.97 120.01 2a42 h TYR 151 Ca 0.27 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.17 2a42 h TYR 151 Cb 0.06 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2a42 h TYR 151 CO -0.06 0.12 0.34 -0.07 -1.64 0.00 0.00 178.16 176.85 2a42 h LEU 152 N 0.36 0.62 -0.14 2.82 3.38 -1.00 -1.58 115.31 119.76 2a42 h LEU 152 Ca 0.22 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2a42 h LEU 152 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2a42 h LEU 152 CO -0.21 0.46 0.03 -0.78 0.09 0.00 0.00 178.44 178.03 2a42 h ASP 153 N 0.72 0.22 -0.14 -0.43 3.58 -0.52 -0.75 116.42 119.09 2a42 h ASP 153 Ca 0.19 -0.24 0.02 0.00 0.42 0.00 0.00 57.03 57.42 2a42 h ASP 153 Cb -0.06 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2a42 h ASP 153 CO -0.04 0.40 0.02 0.58 -2.88 0.00 0.00 179.24 177.33 2a42 h VAL 154 N 0.02 0.93 -0.39 2.25 2.07 -1.11 0.22 116.25 120.24 2a42 h VAL 154 Ca 0.04 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.62 2a42 h VAL 154 Cb 0.27 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 2a42 h VAL 154 CO 0.00 0.01 -0.19 1.56 0.02 0.00 0.00 177.57 178.98 2a42 h GLN 155 N 0.08 -0.11 -0.35 1.57 4.20 -1.23 0.10 115.11 119.37 2a42 h GLN 155 Ca 0.06 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 2a42 h GLN 155 Cb 0.06 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2a42 h GLN 155 CO -0.09 -0.07 0.06 0.37 -0.67 0.00 0.00 178.83 178.43 2a42 h GLN 156 N -0.12 0.58 -0.29 1.46 -0.00 -0.73 0.14 115.11 116.16 2a42 h GLN 156 Ca 0.19 -0.15 -0.12 0.00 -0.00 0.00 0.00 58.65 58.57 2a42 h GLN 156 Cb 0.41 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.82 2a42 h GLN 156 CO -0.46 0.65 -0.28 0.87 0.00 0.00 0.00 178.83 179.60 2a42 h LYS 157 N 0.42 0.69 -0.10 1.69 1.57 -0.27 -3.34 116.57 117.22 2a42 h LYS 157 Ca 0.11 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2a42 h LYS 157 Cb 0.34 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2a42 h LYS 157 CO 0.01 0.98 0.00 0.91 -0.57 0.00 0.00 179.45 180.77 2a42 n TRP 158 N -4.27 0.13 -4.01 -1.35 8.01 0.33 -4.99 117.44 111.28 2a42 n TRP 158 Ca -0.04 -0.31 -0.29 0.00 -1.31 0.00 0.00 57.50 55.55 2a42 n TRP 158 Cb 0.47 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.31 29.73 2a42 n TRP 158 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 2a42 n HIS 159 N 0.07 -1.78 -3.97 -5.99 8.25 0.50 -4.92 115.22 107.38 2a42 n HIS 159 Ca 0.04 0.79 -0.23 0.00 -0.26 0.00 0.00 57.72 58.07 2a42 n HIS 159 Cb 0.25 -3.58 -0.17 0.00 1.12 0.00 0.00 29.99 27.61 2a42 n HIS 159 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2a42 s LEU 160 N -7.08 1.01 0.02 2.41 2.96 -1.21 -5.01 118.68 111.77 2a42 s LEU 160 Ca 0.31 -0.15 0.22 0.00 -0.22 0.00 0.00 54.13 54.29 2a42 s LEU 160 Cb -0.17 -0.55 -0.09 0.00 0.50 0.00 0.00 46.19 45.89 2a42 s LEU 160 CO 0.89 -0.12 0.91 0.59 -1.32 0.00 0.00 176.35 177.30 2a42 n ASN 161 N 4.67 0.63 -4.45 3.68 5.03 -1.26 -3.60 115.26 119.97 2a42 n ASN 161 Ca -0.15 -0.45 -0.43 0.00 0.87 0.00 0.00 54.58 54.42 2a42 n ASN 161 Cb 0.50 1.05 -0.04 0.00 -1.02 0.00 0.00 39.78 40.27 2a42 n ASN 161 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2a42 s ASP 162 N -3.65 6.24 -0.03 6.41 1.01 -1.26 -2.41 116.67 122.98 2a42 s ASP 162 Ca 0.04 -1.16 -0.00 0.00 0.71 0.00 0.00 52.55 52.14 2a42 s ASP 162 Cb 0.15 -2.41 0.03 0.00 1.01 0.00 0.00 42.92 41.70 2a42 s ASP 162 CO 0.84 -1.38 0.02 -0.69 0.21 0.00 0.00 175.17 174.17 2a42 s VAL 163 N 3.84 0.05 -0.22 -1.27 1.01 -0.56 -1.06 120.40 122.19 2a42 s VAL 163 Ca 0.23 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 2a42 s VAL 163 Cb -0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 2a42 s VAL 163 CO 0.07 0.14 0.14 -0.32 0.00 0.00 0.00 175.10 175.13 2a42 s MET 164 N 1.36 4.10 -0.13 2.72 1.75 0.12 -1.06 119.30 128.16 2a42 s MET 164 Ca -0.05 -0.26 -0.01 0.00 -1.25 0.00 0.00 55.69 54.12 2a42 s MET 164 Cb -0.13 -3.46 -0.02 0.00 2.84 0.00 0.00 34.83 34.06 2a42 s MET 164 CO -0.03 0.16 -0.11 -0.51 -0.65 0.00 0.00 175.02 173.89 2a42 s LEU 165 N 0.75 2.86 0.13 4.11 1.02 0.44 0.11 118.68 128.09 2a42 s LEU 165 Ca 0.07 -0.26 -0.21 0.00 0.02 0.00 0.00 54.13 53.75 2a42 s LEU 165 Cb -0.12 -1.65 0.06 0.00 0.02 0.00 0.00 46.19 44.49 2a42 s LEU 165 CO 0.02 0.19 0.54 0.00 0.02 0.00 0.00 176.35 177.11 2a42 s MET 166 N 0.21 1.18 0.00 1.70 0.23 -0.52 -0.08 119.30 122.02 2a42 s MET 166 Ca -0.07 -0.48 0.00 0.00 -1.03 0.00 0.00 55.69 54.11 2a42 s MET 166 Cb -0.15 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.69 2a42 s MET 166 CO 0.05 -0.49 0.00 0.41 -2.03 0.00 0.00 175.02 172.96 2a42 n GLY 167 N -0.19 0.79 3.53 3.16 0.00 -0.95 -1.91 105.19 109.61 2a42 n GLY 167 Ca -0.17 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 2a42 n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a42 s ASP 168 N -2.83 6.47 0.00 1.61 2.15 -1.10 -0.87 116.67 122.10 2a42 s ASP 168 Ca 0.00 -1.45 0.28 0.00 0.43 0.00 0.00 52.55 51.81 2a42 s ASP 168 Cb 0.00 -2.52 1.13 0.00 -0.30 0.00 0.00 42.92 41.23 2a42 s ASP 168 CO 0.00 -1.44 1.81 0.49 -0.17 0.00 0.00 175.17 175.86 2a42 n PHE 169 N 8.32 0.00 -3.65 -5.34 3.01 -0.59 -0.81 117.46 118.40 2a42 n PHE 169 Ca 0.25 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.44 2a42 n PHE 169 Cb 0.50 -0.23 0.02 0.00 -0.01 0.00 0.00 39.48 39.76 2a42 n PHE 169 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2a42 n ASN 170 N -1.09 -4.91 -3.01 4.37 3.02 -0.83 -4.65 115.26 108.17 2a42 n ASN 170 Ca 0.12 -0.61 -0.34 0.00 -0.03 0.00 0.00 54.58 53.72 2a42 n ASN 170 Cb 0.29 -3.94 -0.03 0.00 -0.61 0.00 0.00 39.78 35.50 2a42 n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a42 n ALA 171 N -4.30 6.59 -3.94 5.41 0.00 -1.07 -4.12 120.51 119.08 2a42 n ALA 171 Ca 0.01 -3.64 -0.01 0.00 0.00 0.00 0.00 53.44 49.80 2a42 n ALA 171 Cb 0.54 -2.42 0.02 0.00 0.00 0.00 0.00 19.45 17.60 2a42 n ALA 171 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2a42 s ASP 172 N 0.20 0.02 1.96 0.00 2.15 -1.26 -4.63 116.67 115.11 2a42 s ASP 172 Ca 0.55 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 53.01 2a42 s ASP 172 Cb 0.29 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 43.28 2a42 s ASP 172 CO -0.17 -0.75 0.00 0.00 -0.17 0.00 0.00 175.17 174.08 2a42 n SER 174 N 5.17 0.43 0.03 0.00 3.41 -1.26 -3.87 113.62 117.53 2a42 n SER 174 Ca 0.00 0.28 -0.12 0.00 -0.26 0.00 0.00 58.87 58.76 2a42 n SER 174 Cb 0.00 -0.27 -0.14 0.00 -0.26 0.00 0.00 64.21 63.54 2a42 n SER 174 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2a42 h TYR 175 N 0.00 0.20 -3.24 7.33 0.05 -1.68 -3.43 116.97 116.21 2a42 h TYR 175 Ca 0.00 -0.15 -0.51 0.00 0.05 0.00 0.00 58.73 58.12 2a42 h TYR 175 Cb 0.60 -0.01 -0.40 0.00 1.01 0.00 0.00 36.73 37.93 2a42 h TYR 175 CO 0.00 1.20 -0.76 0.08 -1.05 0.00 0.00 178.16 177.63 2a42 s VAL 176 N -2.62 0.45 0.52 -2.88 1.01 -1.04 -4.26 120.40 111.57 2a42 s VAL 176 Ca -0.07 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2a42 s VAL 176 Cb 0.08 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.48 2a42 s VAL 176 CO 0.83 -0.23 0.76 0.42 0.00 0.00 0.00 175.10 176.88 2a42 s THR 177 N 1.89 3.57 0.28 3.92 -4.23 -1.26 -3.50 115.64 116.31 2a42 s THR 177 Ca -0.00 -0.40 -0.03 0.00 -1.18 0.00 0.00 61.69 60.08 2a42 s THR 177 Cb -0.17 -3.36 0.35 0.00 1.34 0.00 0.00 72.50 70.66 2a42 s THR 177 CO -0.09 -0.28 1.61 -1.28 -0.54 0.00 0.00 174.62 174.04 2a42 h SER 178 N 0.15 -0.41 1.09 3.99 0.87 -2.00 -0.69 113.55 116.55 2a42 h SER 178 Ca -0.45 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2a42 h SER 178 Cb 1.27 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 2a42 h SER 178 CO 0.57 -0.26 0.00 0.77 -0.53 0.00 0.00 176.83 177.39 2a42 h SER 179 N 0.07 0.00 1.04 6.23 4.64 -2.02 -3.15 113.55 120.36 2a42 h SER 179 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2a42 h SER 179 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2a42 h SER 179 CO -0.79 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 174.83 2a42 n GLN 180 N -2.40 0.22 0.17 4.77 6.02 -0.27 -3.97 117.38 121.92 2a42 n GLN 180 Ca 0.03 0.11 0.06 0.00 -0.01 0.00 0.00 57.00 57.19 2a42 n GLN 180 Cb 0.32 -1.69 0.55 0.00 1.02 0.00 0.00 30.24 30.44 2a42 n GLN 180 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 2a42 h TRP 181 N 0.00 0.16 0.00 1.08 4.06 -1.58 -1.70 115.95 117.97 2a42 h TRP 181 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2a42 h TRP 181 Cb 0.69 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 2a42 h TRP 181 CO 0.00 0.14 0.00 0.66 -3.56 0.00 0.00 178.44 175.68 2a42 h SER 182 N 0.17 0.00 -0.02 -3.49 4.64 -1.82 -1.93 113.55 111.11 2a42 h SER 182 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2a42 h SER 182 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2a42 h SER 182 CO -0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 2a42 n SER 183 N -2.40 1.34 -4.12 4.97 7.64 -0.64 -4.79 113.62 115.61 2a42 n SER 183 Ca 0.00 -1.45 -0.34 0.00 1.01 0.00 0.00 58.87 58.09 2a42 n SER 183 Cb 0.16 -0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.23 2a42 n SER 183 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2a42 s ILE 184 N -2.00 2.86 0.49 0.44 1.01 -0.72 -4.79 121.20 118.49 2a42 s ILE 184 Ca 0.39 -1.74 0.15 0.00 0.00 0.00 0.00 60.65 59.45 2a42 s ILE 184 Cb 0.21 -2.81 0.24 0.00 0.01 0.00 0.00 42.46 40.11 2a42 s ILE 184 CO 0.34 -0.33 2.09 0.03 0.00 0.00 0.00 174.94 177.06 2a42 h ARG 185 N 7.92 0.00 0.00 2.79 3.08 -1.85 0.16 114.38 126.49 2a42 h ARG 185 Ca -0.16 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 2a42 h ARG 185 Cb 1.05 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 2a42 h ARG 185 CO 0.57 0.08 -0.03 1.25 -1.07 0.00 0.00 179.97 180.76 2a42 h LEU 186 N 0.00 0.00 0.01 3.04 5.85 -1.81 -0.00 115.31 122.40 2a42 h LEU 186 Ca 0.00 0.00 -0.39 0.00 0.84 0.00 0.00 57.88 58.33 2a42 h LEU 186 Cb 0.13 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 2a42 h LEU 186 CO 0.01 0.03 -2.45 -1.14 -0.34 0.00 0.00 178.44 174.55 2a42 n ARG 187 N -3.27 0.65 0.15 1.25 3.00 0.22 -4.55 116.66 114.12 2a42 n ARG 187 Ca -0.02 0.17 0.02 0.00 -0.00 0.00 0.00 57.85 58.02 2a42 n ARG 187 Cb 0.17 -1.53 0.16 0.00 0.00 0.00 0.00 32.46 31.26 2a42 n ARG 187 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 2a42 h THR 188 N -0.07 1.02 -3.23 5.15 1.35 -0.53 -3.44 112.91 113.17 2a42 h THR 188 Ca -0.58 -2.05 -0.53 0.00 -0.55 0.00 0.00 66.41 62.70 2a42 h THR 188 Cb 1.89 2.24 0.01 0.00 -1.73 0.00 0.00 68.15 70.56 2a42 h THR 188 CO -0.10 0.51 0.60 -0.55 -0.25 0.00 0.00 175.52 175.72 2a42 s SER 189 N -6.51 7.02 0.00 5.36 0.15 -0.04 -4.91 113.70 114.77 2a42 s SER 189 Ca 0.01 2.16 0.17 0.00 0.70 0.00 0.00 55.95 58.99 2a42 s SER 189 Cb 0.10 -2.59 0.90 0.00 -1.71 0.00 0.00 66.02 62.72 2a42 s SER 189 CO 0.73 -0.49 1.47 -1.54 1.20 0.00 0.00 173.24 174.61 2a42 n SER 190 N 3.52 0.00 0.24 5.45 3.41 -1.26 -2.96 113.62 122.02 2a42 n SER 190 Ca 0.08 -0.13 0.09 0.00 -0.26 0.00 0.00 58.87 58.65 2a42 n SER 190 Cb 0.45 -0.20 0.62 0.00 -0.26 0.00 0.00 64.21 64.82 2a42 n SER 190 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2a42 h THR 191 N 0.00 0.88 -3.47 6.66 2.02 -1.94 -3.44 112.91 113.62 2a42 h THR 191 Ca 0.00 -0.52 -0.67 0.00 0.77 0.00 0.00 66.41 65.99 2a42 h THR 191 Cb 0.11 1.30 -0.19 0.00 -1.74 0.00 0.00 68.15 67.63 2a42 h THR 191 CO 0.00 0.14 -0.67 -0.36 0.37 0.00 0.00 175.52 175.00 2a42 s PHE 192 N -4.50 3.01 -0.17 3.16 0.40 -1.15 -4.25 117.98 114.48 2a42 s PHE 192 Ca -0.04 -0.06 -0.06 0.00 -0.60 0.00 0.00 56.93 56.17 2a42 s PHE 192 Cb 0.15 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 2a42 s PHE 192 CO 0.64 0.23 0.04 -0.65 0.70 0.00 0.00 175.22 176.19 2a42 s GLN 193 N -0.42 3.88 -0.43 0.44 -0.21 -0.22 -4.95 119.66 117.74 2a42 s GLN 193 Ca 0.07 -0.38 -0.18 0.00 0.02 0.00 0.00 55.36 54.89 2a42 s GLN 193 Cb -0.12 -3.14 0.03 0.00 1.00 0.00 0.00 33.01 30.78 2a42 s GLN 193 CO 0.02 0.29 0.46 -1.58 -2.12 0.00 0.00 175.29 172.36 2a42 s TRP 194 N 0.31 3.16 0.02 0.91 0.52 -1.26 -1.01 118.94 121.58 2a42 s TRP 194 Ca 0.02 -0.38 0.10 0.00 0.02 0.00 0.00 56.10 55.86 2a42 s TRP 194 Cb -0.13 -2.98 -0.19 0.00 -1.15 0.00 0.00 33.47 29.02 2a42 s TRP 194 CO 0.01 -0.74 1.04 -0.07 0.02 0.00 0.00 176.95 177.21 2a42 h LEU 195 N 9.14 0.00 -8.73 2.99 3.38 -1.57 -3.41 115.31 117.11 2a42 h LEU 195 Ca -0.26 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.05 2a42 h LEU 195 Cb 1.11 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.69 2a42 h LEU 195 CO 0.82 0.93 -0.21 -0.63 0.09 0.00 0.00 178.44 179.44 2a42 s ILE 196 N -2.71 5.11 0.74 1.22 -1.09 -1.25 -4.76 121.20 118.47 2a42 s ILE 196 Ca -0.01 0.11 -0.11 0.00 -2.23 0.00 0.00 60.65 58.40 2a42 s ILE 196 Cb 0.09 -3.88 0.04 0.00 -1.58 0.00 0.00 42.46 37.12 2a42 s ILE 196 CO 0.82 -0.16 1.10 -2.16 -1.23 0.00 0.00 174.94 173.31 2a42 s PRO 197 N 2.14 2.56 0.52 2.79 0.04 -1.26 -4.79 135.00 137.00 2a42 s PRO 197 Ca 0.14 0.55 0.35 0.00 0.04 0.00 0.00 61.00 62.07 2a42 s PRO 197 Cb -0.16 -1.98 1.69 0.00 0.04 0.00 0.00 34.50 34.09 2a42 s PRO 197 CO 0.12 -1.26 2.05 -0.44 0.04 0.00 0.00 177.00 177.51 2a42 h ASP 198 N -0.82 0.00 1.34 6.66 3.32 -1.95 -2.63 116.42 122.33 2a42 h ASP 198 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2a42 h ASP 198 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2a42 h ASP 198 CO 0.62 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.60 2a42 n SER 199 N -2.84 0.78 -4.81 6.45 3.41 -1.26 -4.41 113.62 110.94 2a42 n SER 199 Ca -0.01 0.59 -0.34 0.00 -0.26 0.00 0.00 58.87 58.86 2a42 n SER 199 Cb 0.16 -0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 63.27 2a42 n SER 199 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a42 s ALA 200 N -3.14 2.94 -0.34 7.33 0.00 -0.99 -4.93 121.76 122.63 2a42 s ALA 200 Ca 0.10 0.51 -0.09 0.00 0.00 0.00 0.00 51.96 52.48 2a42 s ALA 200 Cb 0.12 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 20.05 2a42 s ALA 200 CO 0.56 -0.16 0.15 0.34 0.00 0.00 0.00 175.76 176.65 2a42 s ASP 201 N -2.12 5.50 0.00 0.00 2.15 -1.26 -2.24 116.67 118.70 2a42 s ASP 201 Ca 0.65 -0.84 0.15 0.00 0.43 0.00 0.00 52.55 52.95 2a42 s ASP 201 Cb -0.13 -1.96 0.42 0.00 -0.30 0.00 0.00 42.92 40.94 2a42 s ASP 201 CO 0.18 -0.29 1.35 0.35 -0.17 0.00 0.00 175.17 176.59 2a42 n THR 202 N 4.94 0.95 -4.03 1.71 -2.24 0.17 -4.83 114.28 110.95 2a42 n THR 202 Ca -0.13 -0.97 -0.36 0.00 -2.27 0.00 0.00 64.05 60.32 2a42 n THR 202 Cb 0.47 0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 69.17 2a42 n THR 202 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a42 s THR 203 N -1.02 5.09 -0.79 4.28 -4.23 -1.25 -0.43 115.64 117.30 2a42 s THR 203 Ca 0.32 0.05 0.27 0.00 -1.18 0.00 0.00 61.69 61.15 2a42 s THR 203 Cb 0.17 -3.21 0.27 0.00 1.34 0.00 0.00 72.50 71.07 2a42 s THR 203 CO 0.22 0.59 1.81 0.00 -0.54 0.00 0.00 174.62 176.70 2a42 n ALA 204 N 2.26 2.27 -1.95 3.99 0.00 0.37 -4.75 120.51 122.69 2a42 n ALA 204 Ca -0.19 -0.04 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 2a42 n ALA 204 Cb 0.54 -1.47 0.15 0.00 0.00 0.00 0.00 19.45 18.68 2a42 n ALA 204 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2a42 s THR 205 N -3.08 2.06 -2.00 0.00 -4.23 -1.24 -4.88 115.64 102.26 2a42 s THR 205 Ca 0.11 -0.24 0.14 0.00 -1.18 0.00 0.00 61.69 60.52 2a42 s THR 205 Cb 0.14 -2.82 0.39 0.00 1.34 0.00 0.00 72.50 71.54 2a42 s THR 205 CO 0.57 0.00 1.23 -1.54 -0.54 0.00 0.00 174.62 174.34 2a42 n SER 206 N -3.37 0.00 -4.83 3.99 3.41 -1.26 -4.79 113.62 106.77 2a42 n SER 206 Ca 0.15 -0.52 -0.32 0.00 -0.26 0.00 0.00 58.87 57.92 2a42 n SER 206 Cb 0.60 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.57 2a42 n SER 206 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2a42 s THR 207 N -2.00 4.24 -0.56 6.66 -4.23 -1.26 -5.03 115.64 113.46 2a42 s THR 207 Ca 0.20 0.85 0.03 0.00 -1.18 0.00 0.00 61.69 61.59 2a42 s THR 207 Cb 0.09 -3.57 0.14 0.00 1.34 0.00 0.00 72.50 70.51 2a42 s THR 207 CO 0.16 -0.82 0.32 0.21 -0.54 0.00 0.00 174.62 173.94 2a42 s ASN 208 N -3.54 4.55 -0.02 3.99 2.47 -1.26 -4.71 114.94 116.42 2a42 s ASN 208 Ca 0.59 -3.05 0.00 0.00 0.42 0.00 0.00 52.86 50.82 2a42 s ASN 208 Cb -0.13 -1.69 0.02 0.00 -1.45 0.00 0.00 41.25 38.00 2a42 s ASN 208 CO 0.47 -0.25 0.01 0.00 -3.72 0.00 0.00 177.10 173.61 2a42 n ALA 210 N 3.82 6.80 -0.07 0.00 0.00 -0.95 -0.65 120.51 129.45 2a42 n ALA 210 Ca -0.23 -3.94 -0.15 0.00 0.00 0.00 0.00 53.44 49.12 2a42 n ALA 210 Cb 0.53 -3.01 -0.05 0.00 0.00 0.00 0.00 19.45 16.92 2a42 n ALA 210 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2a42 h TYR 211 N 4.92 1.00 -3.29 0.00 0.05 -1.85 -3.31 116.97 114.49 2a42 h TYR 211 Ca 0.71 -0.36 -0.57 0.00 0.05 0.00 0.00 58.73 58.55 2a42 h TYR 211 Cb 0.35 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 37.85 2a42 h TYR 211 CO 1.64 1.17 -0.05 -0.51 -1.05 0.00 0.00 178.16 179.37 2a42 s ASP 212 N -6.85 6.91 0.05 3.88 1.01 -1.26 -1.54 116.67 118.87 2a42 s ASP 212 Ca -0.11 1.08 -0.00 0.00 0.71 0.00 0.00 52.55 54.23 2a42 s ASP 212 Cb 0.09 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 2a42 s ASP 212 CO 0.87 0.09 -0.04 -0.13 0.21 0.00 0.00 175.17 176.17 2a42 s ARG 213 N -0.05 0.59 -0.08 8.23 1.81 -0.05 -4.93 118.95 124.47 2a42 s ARG 213 Ca 0.30 -1.11 -0.01 0.00 -1.72 0.00 0.00 55.73 53.19 2a42 s ARG 213 Cb -0.17 0.09 0.03 0.00 -0.45 0.00 0.00 34.95 34.44 2a42 s ARG 213 CO 0.16 -0.07 -0.03 0.42 -0.68 0.00 0.00 175.30 175.09 2a42 s ILE 214 N -3.29 0.61 -0.05 1.52 1.01 -1.26 -2.24 121.20 117.50 2a42 s ILE 214 Ca 0.03 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.69 2a42 s ILE 214 Cb 0.03 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.78 2a42 s ILE 214 CO -0.07 0.29 -0.25 -0.69 0.00 0.00 0.00 174.94 174.23 2a42 s VAL 215 N 1.74 2.03 -0.05 2.92 1.01 0.88 -1.24 120.40 127.69 2a42 s VAL 215 Ca 0.03 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.00 2a42 s VAL 215 Cb -0.13 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 2a42 s VAL 215 CO -0.05 0.56 -0.20 0.68 0.00 0.00 0.00 175.10 176.10 2a42 s VAL 216 N -0.19 1.63 0.11 2.92 -7.23 -0.18 -0.42 120.40 117.04 2a42 s VAL 216 Ca -0.02 -0.82 0.09 0.00 -1.81 0.00 0.00 61.98 59.42 2a42 s VAL 216 Cb -0.13 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 2a42 s VAL 216 CO 0.03 0.46 -0.24 0.00 -0.31 0.00 0.00 175.10 175.05 2a42 s ALA 217 N 0.03 2.07 0.00 1.32 0.00 -0.23 -1.06 121.76 123.90 2a42 s ALA 217 Ca -0.05 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2a42 s ALA 217 Cb -0.13 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2a42 s ALA 217 CO 0.03 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.65 2a42 n GLY 218 N 1.06 1.83 0.44 0.00 0.00 -1.01 -1.49 105.19 106.02 2a42 n GLY 218 Ca -0.19 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 2a42 n GLY 218 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2a42 h SER 219 N 0.00 -1.66 -0.36 1.61 0.02 -1.95 -1.21 113.55 110.00 2a42 h SER 219 Ca 0.00 0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 2a42 h SER 219 Cb 0.00 0.68 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 2a42 h SER 219 CO 0.00 -0.42 0.15 -0.07 -1.14 0.00 0.00 176.83 175.35 2a42 h LEU 220 N -0.44 0.20 -0.34 5.07 3.38 -1.97 -0.45 115.31 120.76 2a42 h LEU 220 Ca 0.08 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2a42 h LEU 220 Cb 0.62 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2a42 h LEU 220 CO -0.53 0.16 0.20 0.25 0.09 0.00 0.00 178.44 178.60 2a42 h LEU 221 N 0.32 0.42 -0.84 1.67 6.46 -1.80 0.26 115.31 121.81 2a42 h LEU 221 Ca 0.16 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 2a42 h LEU 221 Cb 0.09 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 2a42 h LEU 221 CO -0.13 0.37 0.32 1.56 -0.62 0.00 0.00 178.44 179.93 2a42 h GLN 222 N 0.43 1.17 0.00 1.25 4.20 -0.98 -1.96 115.11 119.23 2a42 h GLN 222 Ca 0.12 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 2a42 h GLN 222 Cb 0.04 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 2a42 h GLN 222 CO -0.02 0.95 -0.14 0.66 -0.67 0.00 0.00 178.83 179.61 2a42 h SER 223 N 1.14 0.00 1.43 1.46 4.64 -0.63 -2.86 113.55 118.73 2a42 h SER 223 Ca 0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 2a42 h SER 223 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2a42 h SER 223 CO -0.02 0.14 -0.13 0.28 -0.87 0.00 0.00 176.83 176.23 2a42 h SER 224 N 0.00 0.00 -3.25 4.97 0.02 -0.17 -3.46 113.55 111.66 2a42 h SER 224 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2a42 h SER 224 Cb 0.50 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.11 2a42 h SER 224 CO 0.02 0.13 0.84 -0.69 -1.14 0.00 0.00 176.83 175.99 2a42 s VAL 225 N -3.39 2.37 -0.28 2.27 1.01 -1.07 -0.54 120.40 120.77 2a42 s VAL 225 Ca 0.04 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 2a42 s VAL 225 Cb 0.08 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2a42 s VAL 225 CO 0.64 0.04 1.26 -0.69 0.00 0.00 0.00 175.10 176.36 2a42 s VAL 226 N 0.21 4.22 0.32 2.92 1.01 -0.03 -4.82 120.40 124.23 2a42 s VAL 226 Ca 0.63 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 2a42 s VAL 226 Cb -0.45 -4.16 -0.12 0.00 0.00 0.00 0.00 36.38 31.65 2a42 s VAL 226 CO 0.43 -0.41 1.47 -2.65 0.00 0.00 0.00 175.10 173.93 2a42 n PRO 227 N 7.12 2.47 0.00 2.72 -0.02 -1.26 -1.81 135.00 144.22 2a42 n PRO 227 Ca 0.14 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2a42 n PRO 227 Cb 0.46 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2a42 n PRO 227 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a42 n GLY 228 N 1.30 3.14 0.28 -1.23 0.00 -1.26 -4.89 105.19 102.53 2a42 n GLY 228 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.24 2a42 n GLY 228 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2a42 h SER 229 N 0.00 0.00 -3.31 1.61 4.64 -1.73 -3.44 113.55 111.33 2a42 h SER 229 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2a42 h SER 229 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2a42 h SER 229 CO 0.00 0.06 0.50 0.00 -0.87 0.00 0.00 176.83 176.52 2a42 s ALA 230 N -3.85 3.33 -0.08 5.18 0.00 -1.26 -4.34 121.76 120.74 2a42 s ALA 230 Ca -0.01 0.42 -0.32 0.00 0.00 0.00 0.00 51.96 52.05 2a42 s ALA 230 Cb 0.11 -3.40 0.12 0.00 0.00 0.00 0.00 23.12 19.95 2a42 s ALA 230 CO 0.55 -0.48 1.07 0.00 0.00 0.00 0.00 175.76 176.89 2a42 s ALA 231 N 1.69 -1.96 0.46 0.00 0.00 -0.55 -4.82 121.76 116.59 2a42 s ALA 231 Ca 0.49 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 53.44 2a42 s ALA 231 Cb -0.19 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.03 2a42 s ALA 231 CO 0.21 -0.69 1.14 -2.14 0.00 0.00 0.00 175.76 174.28 2a42 s PRO 232 N -2.75 3.76 -0.46 0.00 0.02 -1.26 -1.26 135.00 133.04 2a42 s PRO 232 Ca 0.08 1.70 -0.16 0.00 0.02 0.00 0.00 61.00 62.64 2a42 s PRO 232 Cb -0.01 -2.35 0.06 0.00 0.02 0.00 0.00 34.50 32.22 2a42 s PRO 232 CO -0.06 -0.53 0.40 0.12 -0.33 0.00 0.00 177.00 176.60 2a42 s PHE 233 N -1.61 3.23 -1.03 6.54 5.36 0.71 -4.89 117.98 126.29 2a42 s PHE 233 Ca 0.64 -0.82 -0.22 0.00 -0.96 0.00 0.00 56.93 55.58 2a42 s PHE 233 Cb -0.26 -3.09 0.07 0.00 -0.34 0.00 0.00 43.02 39.39 2a42 s PHE 233 CO 0.32 -0.78 1.42 0.34 -1.46 0.00 0.00 175.22 175.06 2a42 s ASP 234 N 2.42 6.55 0.47 6.13 -1.08 -1.26 -4.14 116.67 125.77 2a42 s ASP 234 Ca 0.05 -1.64 0.26 0.00 -0.52 0.00 0.00 52.55 50.71 2a42 s ASP 234 Cb -0.23 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.72 2a42 s ASP 234 CO 0.08 -1.41 1.87 2.19 0.52 0.00 0.00 175.17 178.42 2a42 h PHE 235 N 9.45 0.00 -0.16 -5.34 -5.15 -1.97 0.18 116.94 113.96 2a42 h PHE 235 Ca 0.21 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.99 2a42 h PHE 235 Cb 1.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.16 2a42 h PHE 235 CO 1.27 0.16 0.08 0.37 -2.00 0.00 0.00 178.31 178.19 2a42 h GLN 236 N 0.00 0.16 -0.08 6.09 4.15 -1.91 -0.81 115.11 122.71 2a42 h GLN 236 Ca -0.00 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 2a42 h GLN 236 Cb 0.68 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.34 2a42 h GLN 236 CO 0.02 0.11 -0.07 0.00 -1.93 0.00 0.00 178.83 176.96 2a42 h ALA 237 N 1.08 0.12 -0.80 3.38 0.00 -1.79 0.74 119.26 121.99 2a42 h ALA 237 Ca 0.06 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.81 2a42 h ALA 237 Cb 0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 2a42 h ALA 237 CO -0.04 -0.08 0.41 0.00 0.00 0.00 0.00 179.25 179.54 2a42 h ALA 238 N 0.59 1.15 -0.40 0.00 0.00 -0.91 -2.67 119.26 117.02 2a42 h ALA 238 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2a42 h ALA 238 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2a42 h ALA 238 CO 0.02 -0.03 0.00 0.66 0.00 0.00 0.00 179.25 179.90 2a42 n TYR 239 N -4.84 0.53 -3.57 0.00 4.01 -0.32 -4.98 117.16 107.99 2a42 n TYR 239 Ca 0.14 -0.37 -0.22 0.00 -0.16 0.00 0.00 57.90 57.29 2a42 n TYR 239 Cb 0.34 -0.01 0.08 0.00 -0.31 0.00 0.00 39.34 39.44 2a42 n TYR 239 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2a42 n GLY 240 N 1.04 -0.49 3.89 2.72 0.00 -0.66 -4.98 105.19 106.70 2a42 n GLY 240 Ca 0.16 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 2a42 n GLY 240 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a42 s LEU 241 N -7.05 3.92 0.68 0.99 1.43 0.16 -5.03 118.68 113.77 2a42 s LEU 241 Ca 0.43 0.98 -0.14 0.00 -1.03 0.00 0.00 54.13 54.37 2a42 s LEU 241 Cb -0.19 -3.83 0.01 0.00 0.03 0.00 0.00 46.19 42.21 2a42 s LEU 241 CO 0.74 -0.32 1.09 -0.94 0.23 0.00 0.00 176.35 177.15 2a42 s SER 242 N -3.14 5.09 0.32 2.29 1.04 -1.26 -4.82 113.70 113.22 2a42 s SER 242 Ca 0.49 1.90 0.01 0.00 0.48 0.00 0.00 55.95 58.82 2a42 s SER 242 Cb -0.10 -2.54 0.54 0.00 0.10 0.00 0.00 66.02 64.02 2a42 s SER 242 CO 0.31 -1.64 1.96 -1.13 0.98 0.00 0.00 173.24 173.72 2a42 h ASN 243 N -0.25 0.78 -0.54 7.02 -0.73 -1.98 -0.29 115.58 119.59 2a42 h ASN 243 Ca -0.46 -0.05 -0.00 0.00 1.87 0.00 0.00 56.30 57.66 2a42 h ASN 243 Cb 1.24 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 39.60 2a42 h ASN 243 CO 0.54 0.61 0.33 -0.33 -0.37 0.00 0.00 177.43 178.22 2a42 h GLU 244 N 0.90 0.73 -0.45 6.67 3.07 -1.99 0.11 114.58 123.62 2a42 h GLU 244 Ca 0.23 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 2a42 h GLU 244 Cb -0.02 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.72 2a42 h GLU 244 CO -0.04 0.53 0.06 1.98 -1.40 0.00 0.00 179.01 180.13 2a42 h MET 245 N 0.73 0.76 -0.34 2.33 4.05 -1.84 -2.21 114.93 118.41 2a42 h MET 245 Ca 0.20 -0.21 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 2a42 h MET 245 Cb -0.02 -0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 30.62 2a42 h MET 245 CO -0.04 0.79 -0.17 0.00 0.23 0.00 0.00 176.91 177.72 2a42 h ALA 246 N 0.94 0.08 0.00 0.39 0.00 -0.64 -2.14 119.26 117.90 2a42 h ALA 246 Ca 0.13 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2a42 h ALA 246 Cb 0.41 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2a42 h ALA 246 CO 0.01 -0.55 -0.28 -0.07 0.00 0.00 0.00 179.25 178.36 2a42 h LEU 247 N -0.12 0.00 -1.41 0.00 3.38 -0.69 -1.74 115.31 114.73 2a42 h LEU 247 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2a42 h LEU 247 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2a42 h LEU 247 CO -0.41 0.28 -0.24 0.00 0.09 0.00 0.00 178.44 178.15 2a42 h ALA 248 N 1.72 1.18 0.26 1.53 0.00 -0.75 -3.10 119.26 120.11 2a42 h ALA 248 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2a42 h ALA 248 Cb 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2a42 h ALA 248 CO 0.04 0.30 -0.12 0.82 0.00 0.00 0.00 179.25 180.28 2a42 h ILE 249 N 0.00 0.15 -2.81 0.00 2.04 -0.93 -3.50 117.51 112.46 2a42 h ILE 249 Ca -0.00 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.07 2a42 h ILE 249 Cb 0.60 0.25 -0.12 0.00 -0.74 0.00 0.00 36.82 36.81 2a42 h ILE 249 CO 0.03 0.04 0.28 -0.55 0.00 0.00 0.00 178.15 177.96 2a42 s SER 250 N -5.19 -0.49 0.00 1.72 0.15 -0.91 -4.25 113.70 104.73 2a42 s SER 250 Ca -0.07 -0.05 0.29 0.00 0.70 0.00 0.00 55.95 56.82 2a42 s SER 250 Cb 0.00 0.55 1.25 0.00 -1.71 0.00 0.00 66.02 66.12 2a42 s SER 250 CO 0.22 -0.91 1.86 -0.90 1.20 0.00 0.00 173.24 174.71 2a42 n ASP 251 N -0.36 0.92 -4.42 5.45 5.75 -1.26 -4.12 116.55 118.52 2a42 n ASP 251 Ca -0.14 -1.16 -0.26 0.00 -0.01 0.00 0.00 54.79 53.22 2a42 n ASP 251 Cb 0.64 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.61 2a42 n ASP 251 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2a42 s HIS 252 N -2.13 2.26 0.25 2.11 3.76 -1.26 -0.48 115.29 119.79 2a42 s HIS 252 Ca 0.37 -0.37 -0.11 0.00 -0.15 0.00 0.00 55.06 54.81 2a42 s HIS 252 Cb 0.21 -1.12 -0.08 0.00 1.11 0.00 0.00 32.58 32.71 2a42 s HIS 252 CO 0.39 0.49 0.59 0.71 -0.85 0.00 0.00 174.74 176.07 2a42 s TYR 253 N -1.72 3.41 0.53 1.40 2.02 0.43 -4.60 117.35 118.82 2a42 s TYR 253 Ca 0.21 0.95 -0.22 0.00 -0.37 0.00 0.00 57.07 57.63 2a42 s TYR 253 Cb -0.08 -2.32 -0.06 0.00 -0.40 0.00 0.00 41.96 39.11 2a42 s TYR 253 CO 0.10 0.23 1.26 -2.30 -1.57 0.00 0.00 175.55 173.27 2a42 n PRO 254 N -0.19 1.58 -4.51 -1.71 -0.02 -1.26 -4.70 135.00 124.20 2a42 n PRO 254 Ca 0.01 0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 2a42 n PRO 254 Cb 0.53 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 2a42 n PRO 254 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2a42 s VAL 255 N -1.31 3.84 0.25 -1.45 -7.23 -0.32 -0.21 120.40 113.97 2a42 s VAL 255 Ca 0.70 -0.41 0.07 0.00 -1.81 0.00 0.00 61.98 60.53 2a42 s VAL 255 Cb -0.44 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 2a42 s VAL 255 CO 0.51 0.55 -0.08 -1.83 -0.31 0.00 0.00 175.10 173.94 2a42 s GLU 256 N -0.30 1.46 -0.02 4.82 -1.05 -0.39 -0.86 118.70 122.37 2a42 s GLU 256 Ca 0.05 -1.71 -0.23 0.00 -0.15 0.00 0.00 54.97 52.93 2a42 s GLU 256 Cb -0.13 -1.10 0.05 0.00 -0.44 0.00 0.00 34.13 32.52 2a42 s GLU 256 CO 0.02 0.07 0.50 0.54 0.95 0.00 0.00 175.26 177.35 2a42 s VAL 257 N -3.03 0.03 -0.08 1.83 0.11 -0.06 -1.48 120.40 117.71 2a42 s VAL 257 Ca 0.27 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.11 2a42 s VAL 257 Cb 0.02 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 2a42 s VAL 257 CO 0.10 -0.13 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.67 2a42 s THR 258 N -1.51 2.68 -0.04 5.04 2.01 -1.26 -0.66 115.64 121.90 2a42 s THR 258 Ca -0.11 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 2a42 s THR 258 Cb -0.02 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 2a42 s THR 258 CO 0.05 0.56 0.15 -0.76 -0.69 0.00 0.00 174.62 173.94 2a42 s LEU 259 N -0.11 4.28 0.00 4.42 1.43 0.60 -0.85 118.68 128.45 2a42 s LEU 259 Ca -0.03 0.34 0.13 0.00 -1.03 0.00 0.00 54.13 53.54 2a42 s LEU 259 Cb -0.14 -2.42 0.11 0.00 0.03 0.00 0.00 46.19 43.77 2a42 s LEU 259 CO 0.04 0.30 0.92 1.07 0.23 0.00 0.00 176.35 178.91