#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhd s LEU 1 N 0.00 -0.96 0.11 -3.43 0.20 -1.26 -5.17 118.68 108.17 1vhd s LEU 1 Ca 0.00 1.21 -0.06 0.00 0.69 0.00 0.00 54.13 55.98 1vhd s LEU 1 Cb 0.00 1.88 -0.02 0.00 -0.43 0.00 0.00 46.19 47.62 1vhd s LEU 1 CO 0.00 -0.23 0.15 -1.66 -0.29 0.00 0.00 176.35 174.32 1vhd s TRP 2 N 2.77 0.43 0.02 5.38 1.48 -1.26 -5.12 118.94 122.64 1vhd s TRP 2 Ca -0.01 -0.85 0.02 0.00 -1.06 0.00 0.00 56.10 54.21 1vhd s TRP 2 Cb -0.13 -0.20 -0.01 0.00 -1.16 0.00 0.00 33.47 31.97 1vhd s TRP 2 CO -0.17 -0.56 -0.07 -2.00 -4.06 0.00 0.00 176.95 170.09 1vhd s GLU 3 N -3.94 0.52 -0.11 3.25 2.12 -1.26 -5.14 118.70 114.14 1vhd s GLU 3 Ca 0.12 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 55.01 1vhd s GLU 3 Cb 0.06 -0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.04 1vhd s GLU 3 CO -0.05 0.10 -0.16 0.12 -0.54 0.00 0.00 175.26 174.73 1vhd s PHE 4 N -0.69 2.05 0.00 5.30 2.19 -1.26 -5.00 117.98 120.58 1vhd s PHE 4 Ca -0.03 -0.96 -0.16 0.00 0.33 0.00 0.00 56.93 56.11 1vhd s PHE 4 Cb -0.06 -1.46 0.03 0.00 -1.31 0.00 0.00 43.02 40.22 1vhd s PHE 4 CO 0.00 -0.48 0.35 -0.47 1.83 0.00 0.00 175.22 176.46 1vhd s TYR 5 N 0.91 -0.22 0.00 10.12 5.04 -1.26 -5.19 117.35 126.76 1vhd s TYR 5 Ca -0.08 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 1vhd s TYR 5 Cb -0.15 0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.30 1vhd s TYR 5 CO -0.01 -0.46 0.00 -0.35 -1.34 0.00 0.00 175.55 173.39 1vhd n PRO 7 N 0.98 0.00 -1.93 4.97 -0.04 -1.26 -4.78 135.00 132.94 1vhd n PRO 7 Ca -0.20 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.84 1vhd n PRO 7 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.02 1vhd n PRO 7 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1vhd s THR 8 N 0.00 2.41 -0.40 0.52 2.01 -1.26 -4.95 115.64 113.98 1vhd s THR 8 Ca 0.00 0.36 -0.20 0.00 0.31 0.00 0.00 61.69 62.16 1vhd s THR 8 Cb 0.00 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.29 1vhd s THR 8 CO 0.00 0.07 0.63 -0.62 -0.69 0.00 0.00 174.62 174.01 1vhd s ASP 9 N 0.24 6.37 -0.20 3.53 3.68 -0.66 -4.95 116.67 124.66 1vhd s ASP 9 Ca 0.58 -0.11 -0.09 0.00 2.13 0.00 0.00 52.55 55.06 1vhd s ASP 9 Cb -0.44 -2.32 -0.05 0.00 -1.45 0.00 0.00 42.92 38.66 1vhd s ASP 9 CO 0.48 -0.68 0.11 -0.69 0.13 0.00 0.00 175.17 174.53 1vhd s VAL 10 N 2.75 5.21 -0.11 1.11 1.01 -1.26 -1.57 120.40 127.54 1vhd s VAL 10 Ca 0.23 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1vhd s VAL 10 Cb -0.14 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1vhd s VAL 10 CO 0.17 0.43 -0.18 -0.36 0.00 0.00 0.00 175.10 175.16 1vhd s PHE 11 N 0.47 2.18 -0.05 5.22 0.40 -0.08 -4.98 117.98 121.14 1vhd s PHE 11 Ca 0.07 -1.03 0.03 0.00 -0.60 0.00 0.00 56.93 55.40 1vhd s PHE 11 Cb -0.12 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 41.88 1vhd s PHE 11 CO -0.00 -0.50 -0.15 0.12 0.70 0.00 0.00 175.22 175.38 1vhd s PHE 12 N 0.86 1.64 0.00 0.36 2.19 -1.26 -0.31 117.98 121.47 1vhd s PHE 12 Ca -0.08 -0.54 0.00 0.00 0.33 0.00 0.00 56.93 56.64 1vhd s PHE 12 Cb -0.15 -1.14 0.00 0.00 -1.31 0.00 0.00 43.02 40.42 1vhd s PHE 12 CO -0.00 -0.22 0.00 0.41 1.83 0.00 0.00 175.22 177.23 1vhd n GLY 13 N 3.42 3.10 3.76 13.12 0.00 -0.08 -4.99 105.19 123.52 1vhd n GLY 13 Ca -0.20 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 1vhd n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vhd s GLU 14 N -2.13 4.38 -1.43 1.61 2.02 -1.26 -2.50 118.70 119.39 1vhd s GLU 14 Ca 0.00 2.15 -0.10 0.00 0.02 0.00 0.00 54.97 57.04 1vhd s GLU 14 Cb 0.00 -3.12 0.04 0.00 0.10 0.00 0.00 34.13 31.15 1vhd s GLU 14 CO 0.00 -0.20 1.09 1.63 0.02 0.00 0.00 175.26 177.80 1vhd n LYS 15 N 1.53 -7.01 0.12 1.61 5.02 -1.26 -4.90 118.16 113.27 1vhd n LYS 15 Ca 0.02 0.75 0.01 0.00 -2.02 0.00 0.00 58.31 57.08 1vhd n LYS 15 Cb 0.42 -5.75 0.33 0.00 -0.02 0.00 0.00 35.03 30.02 1vhd n LYS 15 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1vhd h ILE 16 N -2.44 1.23 -0.47 -0.18 6.09 -1.81 -1.76 117.51 118.18 1vhd h ILE 16 Ca -0.57 -1.07 -0.12 0.00 -1.37 0.00 0.00 64.86 61.73 1vhd h ILE 16 Cb 1.37 1.42 -0.02 0.00 0.47 0.00 0.00 36.82 40.07 1vhd h ILE 16 CO 0.60 0.32 -0.17 -0.07 -3.07 0.00 0.00 178.15 175.76 1vhd h LEU 17 N 0.19 0.92 -0.36 2.19 3.38 -1.90 0.21 115.31 119.93 1vhd h LEU 17 Ca 0.03 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1vhd h LEU 17 Cb 0.55 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1vhd h LEU 17 CO 0.04 1.07 -0.03 -0.08 0.09 0.00 0.00 178.44 179.53 1vhd h GLU 18 N 0.80 0.65 0.00 1.13 4.81 -1.84 -0.35 114.58 119.78 1vhd h GLU 18 Ca 0.12 -0.22 -0.21 0.00 -0.13 0.00 0.00 59.36 58.92 1vhd h GLU 18 Cb 0.71 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 1vhd h GLU 18 CO 0.05 0.78 -1.02 0.87 -0.73 0.00 0.00 179.01 178.97 1vhd h LYS 19 N 0.46 0.00 0.00 1.92 1.57 -1.16 -3.41 116.57 115.95 1vhd h LYS 19 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1vhd h LYS 19 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1vhd h LYS 19 CO 0.02 0.93 0.00 0.54 -0.57 0.00 0.00 179.45 180.37 1vhd n ARG 20 N -3.32 1.56 0.27 3.15 5.12 0.72 -4.86 116.66 119.31 1vhd n ARG 20 Ca -0.01 -0.06 0.11 0.00 -1.93 0.00 0.00 57.85 55.95 1vhd n ARG 20 Cb 0.93 -0.35 0.74 0.00 -1.16 0.00 0.00 32.46 32.62 1vhd n ARG 20 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1vhd h GLY 21 N 0.00 0.00 1.65 -0.13 0.00 -0.81 -3.00 103.07 100.79 1vhd h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vhd h GLY 21 CO 0.00 0.00 0.17 3.43 0.00 0.00 0.00 176.54 180.14 1vhd h ASN 22 N 0.00 0.00 0.17 0.19 2.35 -1.86 -2.02 115.58 114.41 1vhd h ASN 22 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vhd h ASN 22 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1vhd h ASN 22 CO 0.00 0.00 0.00 -0.29 -1.65 0.00 0.00 177.43 175.49 1vhd h ILE 23 N 0.00 0.00 0.00 2.81 2.10 -1.92 -1.54 117.51 118.96 1vhd h ILE 23 Ca 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.86 1vhd h ILE 23 Cb 0.34 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1vhd h ILE 23 CO 0.00 0.00 0.00 2.30 -1.08 0.00 0.00 178.15 179.37 1vhd n ILE 24 N -2.91 0.95 0.30 2.19 -5.35 -0.76 -1.89 119.36 111.90 1vhd n ILE 24 Ca -0.02 0.38 0.10 0.00 -0.27 0.00 0.00 62.75 62.95 1vhd n ILE 24 Cb 0.10 -1.32 0.48 0.00 -1.74 0.00 0.00 39.64 37.16 1vhd n ILE 24 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1vhd n ASP 25 N -2.15 0.54 0.10 7.28 5.68 -0.58 -1.02 116.55 126.39 1vhd n ASP 25 Ca 0.01 0.67 0.12 0.00 -0.50 0.00 0.00 54.79 55.10 1vhd n ASP 25 Cb 0.16 -0.77 0.45 0.00 -1.14 0.00 0.00 41.12 39.82 1vhd n ASP 25 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1vhd n LEU 26 N -2.14 0.64 0.09 -2.12 4.77 -0.79 -3.45 117.00 113.99 1vhd n LEU 26 Ca 0.01 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 1vhd n LEU 26 Cb 0.14 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1vhd n LEU 26 CO 0.15 -0.29 0.09 0.18 -1.33 0.00 0.00 177.39 176.19 1vhd n LEU 27 N -2.14 0.79 0.00 2.23 4.77 -0.19 -5.07 117.00 117.39 1vhd n LEU 27 Ca 0.04 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1vhd n LEU 27 Cb 0.34 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1vhd n LEU 27 CO 0.26 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1vhd n GLY 28 N 1.24 -0.17 0.17 -0.72 0.00 -1.22 -4.59 105.19 99.89 1vhd n GLY 28 Ca 0.01 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 44.45 1vhd n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vhd n LYS 29 N -0.32 2.53 -3.77 1.61 0.00 -1.26 -4.74 118.16 112.21 1vhd n LYS 29 Ca 0.00 -0.44 -0.14 0.00 -0.00 0.00 0.00 58.31 57.72 1vhd n LYS 29 Cb 0.00 -1.06 -0.15 0.00 -0.00 0.00 0.00 35.03 33.82 1vhd n LYS 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1vhd s ARG 30 N -1.55 0.01 0.08 -1.58 3.52 -1.26 -0.95 118.95 117.21 1vhd s ARG 30 Ca 0.07 0.25 0.05 0.00 -0.13 0.00 0.00 55.73 55.97 1vhd s ARG 30 Cb 0.08 -0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.23 1vhd s ARG 30 CO 0.30 -0.16 -0.14 0.00 -0.81 0.00 0.00 175.30 174.50 1vhd s ALA 31 N 1.07 1.20 -0.19 6.12 0.00 -0.08 -0.51 121.76 129.37 1vhd s ALA 31 Ca -0.09 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 50.76 1vhd s ALA 31 Cb -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1vhd s ALA 31 CO -0.04 0.13 0.01 -1.17 0.00 0.00 0.00 175.76 174.69 1vhd s LEU 32 N -1.92 3.34 -0.21 0.00 2.96 -0.83 -2.45 118.68 119.57 1vhd s LEU 32 Ca 0.00 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.68 1vhd s LEU 32 Cb -0.08 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1vhd s LEU 32 CO 0.02 0.09 0.08 -0.69 -1.32 0.00 0.00 176.35 174.53 1vhd s VAL 33 N 0.87 4.76 -0.14 1.68 1.01 -0.39 -0.37 120.40 127.82 1vhd s VAL 33 Ca 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1vhd s VAL 33 Cb -0.14 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1vhd s VAL 33 CO 0.02 0.41 -0.15 0.68 0.00 0.00 0.00 175.10 176.06 1vhd s VAL 34 N 0.77 2.75 0.31 2.92 -7.23 -0.00 -0.27 120.40 119.64 1vhd s VAL 34 Ca 0.04 -0.76 -0.09 0.00 -1.81 0.00 0.00 61.98 59.36 1vhd s VAL 34 Cb -0.13 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.67 1vhd s VAL 34 CO 0.02 0.52 0.53 0.28 -0.31 0.00 0.00 175.10 176.14 1vhd s THR 35 N 0.58 0.00 0.98 5.32 -1.32 -0.11 -1.45 115.64 119.64 1vhd s THR 35 Ca -0.09 -1.42 -0.15 0.00 -1.21 0.00 0.00 61.69 58.83 1vhd s THR 35 Cb -0.16 -2.48 0.18 0.00 -1.51 0.00 0.00 72.50 68.54 1vhd s THR 35 CO 0.03 0.00 1.18 -0.83 -2.21 0.00 0.00 174.62 172.79 1vhd s GLY 36 N -3.11 1.62 0.35 6.08 0.00 -1.26 -2.43 107.32 108.58 1vhd s GLY 36 Ca 0.24 -0.77 0.07 0.00 0.00 0.00 0.00 44.72 44.26 1vhd s GLY 36 CO 0.14 -0.10 1.85 0.50 0.00 0.00 0.00 173.10 175.49 1vhd h LYS 37 N -1.75 0.31 0.00 2.90 1.57 -1.72 -3.41 116.57 114.47 1vhd h LYS 37 Ca -0.48 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1vhd h LYS 37 Cb 1.30 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1vhd h LYS 37 CO 0.51 0.48 0.00 -1.13 -0.57 0.00 0.00 179.45 178.74 1vhd n SER 38 N -4.21 0.00 -0.17 0.86 3.41 -1.26 -4.95 113.62 107.30 1vhd n SER 38 Ca -0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1vhd n SER 38 Cb 0.32 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.34 1vhd n SER 38 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1vhd h SER 39 N 0.00 0.01 0.44 4.04 4.64 -2.00 -1.56 113.55 119.12 1vhd h SER 39 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1vhd h SER 39 Cb 0.00 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1vhd h SER 39 CO 0.00 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 174.45 1vhd n SER 40 N -5.11 0.48 0.08 4.97 3.41 -1.26 -1.31 113.62 114.88 1vhd n SER 40 Ca 0.06 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 1vhd n SER 40 Cb 0.25 -0.74 0.16 0.00 -0.26 0.00 0.00 64.21 63.63 1vhd n SER 40 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1vhd h LYS 41 N 0.00 0.00 0.00 4.33 1.57 -1.65 -1.53 116.57 119.29 1vhd h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vhd h LYS 41 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1vhd h LYS 41 CO 0.00 0.00 -0.76 1.63 -0.57 0.00 0.00 179.45 179.75 1vhd n LYS 42 N -2.29 1.85 -0.22 3.15 5.02 -0.43 -4.41 118.16 120.82 1vhd n LYS 42 Ca 0.03 -0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.38 1vhd n LYS 42 Cb 0.46 -1.23 0.19 0.00 -0.02 0.00 0.00 35.03 34.43 1vhd n LYS 42 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1vhd n ASN 43 N -1.38 3.14 0.00 4.39 0.23 -1.08 -4.97 115.26 115.59 1vhd n ASN 43 Ca 0.03 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 1vhd n ASN 43 Cb 0.25 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 1vhd n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vhd n GLY 44 N 0.75 1.90 0.18 4.83 0.00 -1.26 -4.59 105.19 107.01 1vhd n GLY 44 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1vhd n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vhd h SER 45 N 0.00 0.54 -0.62 1.61 4.64 -1.91 -1.35 113.55 116.46 1vhd h SER 45 Ca 0.00 -0.33 -0.07 0.00 -0.47 0.00 0.00 61.79 60.92 1vhd h SER 45 Cb 0.00 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 1vhd h SER 45 CO 0.00 0.75 0.14 0.25 -0.87 0.00 0.00 176.83 177.09 1vhd h LEU 46 N 0.33 0.97 -0.54 5.97 5.85 -1.63 -0.18 115.31 126.08 1vhd h LEU 46 Ca 0.08 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1vhd h LEU 46 Cb 0.49 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1vhd h LEU 46 CO 0.02 0.95 0.21 0.44 -0.34 0.00 0.00 178.44 179.72 1vhd h ASP 47 N 0.97 0.74 -0.70 1.25 3.45 -1.76 0.11 116.42 120.48 1vhd h ASP 47 Ca 0.20 -0.17 -0.03 0.00 0.43 0.00 0.00 57.03 57.46 1vhd h ASP 47 Cb 0.37 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.92 1vhd h ASP 47 CO 0.00 0.71 0.31 0.44 -1.57 0.00 0.00 179.24 179.14 1vhd h ASP 48 N 0.73 0.94 -0.42 6.45 3.45 -0.87 -0.96 116.42 125.74 1vhd h ASP 48 Ca 0.18 -0.15 -0.05 0.00 0.43 0.00 0.00 57.03 57.44 1vhd h ASP 48 Cb 0.20 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 1vhd h ASP 48 CO -0.01 0.83 0.08 0.25 -1.57 0.00 0.00 179.24 178.82 1vhd h LEU 49 N 0.99 0.66 -1.00 1.55 5.85 -0.61 -0.92 115.31 121.83 1vhd h LEU 49 Ca 0.24 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1vhd h LEU 49 Cb 0.16 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1vhd h LEU 49 CO -0.02 0.75 0.66 0.11 -0.34 0.00 0.00 178.44 179.59 1vhd h LYS 50 N 0.55 1.31 -0.45 1.25 1.57 -0.53 0.01 116.57 120.26 1vhd h LYS 50 Ca 0.13 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1vhd h LYS 50 Cb 0.36 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1vhd h LYS 50 CO 0.01 0.86 0.18 -0.22 -0.57 0.00 0.00 179.45 179.71 1vhd h LYS 51 N 1.35 0.68 -0.53 3.15 3.64 -0.82 -0.89 116.57 123.15 1vhd h LYS 51 Ca 0.37 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1vhd h LYS 51 Cb -0.14 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1vhd h LYS 51 CO -0.09 0.63 0.29 1.25 -2.27 0.00 0.00 179.45 179.26 1vhd h LEU 52 N 0.59 0.66 -0.79 5.20 5.85 -0.48 0.38 115.31 126.72 1vhd h LEU 52 Ca 0.15 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1vhd h LEU 52 Cb 0.20 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1vhd h LEU 52 CO -0.01 0.56 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.54 1vhd h LEU 53 N 0.70 0.85 -0.36 2.25 3.38 -0.86 -0.85 115.31 120.42 1vhd h LEU 53 Ca 0.18 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1vhd h LEU 53 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1vhd h LEU 53 CO -0.03 0.93 -0.09 -0.78 0.09 0.00 0.00 178.44 178.57 1vhd h ASP 54 N 0.80 0.71 -0.74 -0.43 3.58 -0.84 0.36 116.42 119.85 1vhd h ASP 54 Ca 0.14 -0.36 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 1vhd h ASP 54 Cb 0.53 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 1vhd h ASP 54 CO 0.03 0.91 0.37 -0.33 -2.88 0.00 0.00 179.24 177.34 1vhd h GLU 55 N 0.50 1.05 -0.01 0.28 5.08 -0.67 -1.99 114.58 118.82 1vhd h GLU 55 Ca 0.09 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1vhd h GLU 55 Cb 0.60 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1vhd h GLU 55 CO 0.04 0.81 -0.01 0.25 -1.00 0.00 0.00 179.01 179.10 1vhd n THR 56 N -4.42 0.00 -3.69 1.13 -2.24 -0.35 -4.93 114.28 99.79 1vhd n THR 56 Ca 0.06 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 1vhd n THR 56 Cb 0.12 -0.01 0.03 0.00 -2.10 0.00 0.00 70.33 68.38 1vhd n THR 56 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vhd n GLU 57 N -0.44 -4.80 -4.03 -0.78 1.02 -0.44 -4.98 120.64 106.19 1vhd n GLU 57 Ca 0.21 0.62 -0.35 0.00 -0.02 0.00 0.00 57.16 57.63 1vhd n GLU 57 Cb 0.23 -5.18 -0.14 0.00 -0.02 0.00 0.00 31.44 26.34 1vhd n GLU 57 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1vhd s ILE 58 N -3.65 3.49 0.69 -3.67 1.01 -0.01 -4.95 121.20 114.10 1vhd s ILE 58 Ca 0.02 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 1vhd s ILE 58 Cb -0.01 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.90 1vhd s ILE 58 CO 0.81 0.43 1.06 -0.94 0.00 0.00 0.00 174.94 176.31 1vhd s SER 59 N 1.25 5.35 0.27 3.58 1.04 -0.13 -4.56 113.70 120.50 1vhd s SER 59 Ca 0.03 1.65 -0.21 0.00 0.48 0.00 0.00 55.95 57.89 1vhd s SER 59 Cb -0.14 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.50 1vhd s SER 59 CO -0.01 -1.46 0.74 -0.72 0.98 0.00 0.00 173.24 172.77 1vhd s TYR 60 N -2.99 -0.19 0.04 5.02 -0.85 -1.26 -0.90 117.35 116.22 1vhd s TYR 60 Ca 0.59 -0.25 0.03 0.00 -0.52 0.00 0.00 57.07 56.91 1vhd s TYR 60 Cb -0.14 0.70 -0.02 0.00 0.38 0.00 0.00 41.96 42.87 1vhd s TYR 60 CO 0.54 -1.19 -0.09 -1.21 -1.52 0.00 0.00 175.55 172.07 1vhd s GLU 61 N -3.85 0.60 -0.18 -3.49 0.41 -1.02 -4.98 118.70 106.19 1vhd s GLU 61 Ca 0.11 -0.72 -0.00 0.00 -0.41 0.00 0.00 54.97 53.95 1vhd s GLU 61 Cb -0.05 -0.46 0.01 0.00 -1.78 0.00 0.00 34.13 31.84 1vhd s GLU 61 CO 0.06 0.10 -0.16 0.42 -0.49 0.00 0.00 175.26 175.19 1vhd s ILE 62 N -1.15 2.42 -0.58 -1.63 1.01 -1.26 -1.26 121.20 118.76 1vhd s ILE 62 Ca -0.06 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 1vhd s ILE 62 Cb -0.09 -2.04 0.15 0.00 0.01 0.00 0.00 42.46 40.49 1vhd s ILE 62 CO 0.01 0.51 0.45 0.12 0.00 0.00 0.00 174.94 176.03 1vhd s PHE 63 N 1.23 3.48 -0.75 3.97 5.36 0.62 -4.94 117.98 126.95 1vhd s PHE 63 Ca 0.03 -2.05 0.00 0.00 -0.96 0.00 0.00 56.93 53.94 1vhd s PHE 63 Cb -0.14 -3.51 0.37 0.00 -0.34 0.00 0.00 43.02 39.40 1vhd s PHE 63 CO -0.08 -0.96 1.75 -0.40 -1.46 0.00 0.00 175.22 174.06 1vhd n ASP 64 N 4.44 6.71 -0.53 6.13 5.75 -1.26 -0.94 116.55 136.85 1vhd n ASP 64 Ca -0.01 -3.80 0.05 0.00 -0.01 0.00 0.00 54.79 51.03 1vhd n ASP 64 Cb 0.41 -0.90 0.09 0.00 -1.03 0.00 0.00 41.12 39.69 1vhd n ASP 64 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1vhd n GLU 65 N -0.49 0.77 -2.52 0.11 1.02 -1.16 -3.57 120.64 114.80 1vhd n GLU 65 Ca 0.49 -2.18 -0.42 0.00 -0.02 0.00 0.00 57.16 55.02 1vhd n GLU 65 Cb 0.35 -0.99 -0.03 0.00 -0.02 0.00 0.00 31.44 30.75 1vhd n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1vhd s VAL 66 N -1.66 4.38 0.47 2.62 1.01 -1.02 -4.93 120.40 121.27 1vhd s VAL 66 Ca 0.24 1.70 -0.02 0.00 0.00 0.00 0.00 61.98 63.90 1vhd s VAL 66 Cb 0.24 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1vhd s VAL 66 CO -0.03 0.01 0.72 -1.61 0.00 0.00 0.00 175.10 174.19 1vhd s GLU 67 N 2.04 3.18 0.35 2.72 0.41 -1.26 -4.14 118.70 122.00 1vhd s GLU 67 Ca 0.54 -0.25 -0.28 0.00 -0.41 0.00 0.00 54.97 54.57 1vhd s GLU 67 Cb -0.23 -2.48 -0.10 0.00 -1.78 0.00 0.00 34.13 29.53 1vhd s GLU 67 CO 0.22 -0.28 1.29 -1.21 -0.49 0.00 0.00 175.26 174.78 1vhd s GLU 68 N -4.64 4.25 -1.19 1.61 2.02 -1.26 -2.98 118.70 116.51 1vhd s GLU 68 Ca 0.48 2.16 -0.13 0.00 0.02 0.00 0.00 54.97 57.50 1vhd s GLU 68 Cb -0.10 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 1vhd s GLU 68 CO 0.40 -0.26 0.75 0.09 0.02 0.00 0.00 175.26 176.26 1vhd n ASN 69 N 0.59 -4.11 -4.52 -0.19 3.02 -1.26 -4.85 115.26 103.94 1vhd n ASN 69 Ca 0.01 -0.94 -0.43 0.00 -0.03 0.00 0.00 54.58 53.19 1vhd n ASN 69 Cb 0.43 -3.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 1vhd n ASN 69 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1vhd n PRO 70 N -4.11 0.88 -3.14 3.52 -0.04 -1.16 -4.45 135.00 126.51 1vhd n PRO 70 Ca -0.15 0.32 -0.19 0.00 -0.04 0.00 0.00 63.50 63.44 1vhd n PRO 70 Cb 0.62 -1.67 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 1vhd n PRO 70 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1vhd s SER 71 N -0.82 5.40 0.20 3.54 1.04 -1.26 -0.82 113.70 120.97 1vhd s SER 71 Ca 0.62 -0.60 -0.11 0.00 0.48 0.00 0.00 55.95 56.34 1vhd s SER 71 Cb -0.64 -0.39 0.18 0.00 0.10 0.00 0.00 66.02 65.28 1vhd s SER 71 CO 0.58 -0.89 1.82 -0.26 0.98 0.00 0.00 173.24 175.47 1vhd h PHE 72 N 0.60 0.67 -0.63 5.02 -1.00 -1.80 -2.31 116.94 117.49 1vhd h PHE 72 Ca -0.38 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.38 1vhd h PHE 72 Cb 1.28 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 40.60 1vhd h PHE 72 CO 0.45 0.36 0.22 -0.44 -1.61 0.00 0.00 178.31 177.29 1vhd h ASP 73 N 0.70 0.90 -0.46 2.17 3.32 -1.95 -2.76 116.42 118.32 1vhd h ASP 73 Ca 0.26 -0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.19 1vhd h ASP 73 Cb 0.09 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.35 1vhd h ASP 73 CO -0.14 0.85 0.13 -1.13 -1.72 0.00 0.00 179.24 177.23 1vhd h ASN 74 N 0.90 0.09 0.00 6.45 -0.00 -1.84 0.29 115.58 121.47 1vhd h ASN 74 Ca 0.21 0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.57 1vhd h ASN 74 Cb 0.25 0.07 0.00 0.00 -0.00 0.00 0.00 38.32 38.64 1vhd h ASN 74 CO -0.01 0.08 0.00 0.52 -0.00 0.00 0.00 177.43 178.02 1vhd n VAL 75 N -5.05 0.12 0.00 2.57 0.31 -0.91 -3.11 118.33 112.26 1vhd n VAL 75 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1vhd n VAL 75 Cb 0.20 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1vhd n VAL 75 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1vhd n LYS 77 N 0.68 0.00 -0.06 5.55 4.81 0.10 -1.04 118.16 128.19 1vhd n LYS 77 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1vhd n LYS 77 Cb 0.09 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.01 1vhd n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vhd n ALA 78 N 0.00 0.96 0.13 3.14 0.00 -1.18 -4.21 120.51 119.35 1vhd n ALA 78 Ca 0.00 -0.68 -0.14 0.00 0.00 0.00 0.00 53.44 52.62 1vhd n ALA 78 Cb 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 1vhd n ALA 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vhd h VAL 79 N -0.41 0.82 -0.23 0.00 2.07 -1.39 -0.17 116.25 116.94 1vhd h VAL 79 Ca -0.45 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.13 1vhd h VAL 79 Cb 1.74 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1vhd h VAL 79 CO -0.09 0.00 0.18 -0.33 0.02 0.00 0.00 177.57 177.35 1vhd h GLU 80 N -0.25 0.00 0.11 1.57 5.08 -1.82 -0.33 114.58 118.94 1vhd h GLU 80 Ca -0.02 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.09 1vhd h GLU 80 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1vhd h GLU 80 CO 0.04 0.00 -1.25 -0.09 -1.00 0.00 0.00 179.01 176.71 1vhd h ARG 81 N 0.00 0.23 0.00 2.33 2.43 -1.65 -3.37 114.38 114.36 1vhd h ARG 81 Ca 0.11 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1vhd h ARG 81 Cb 0.47 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1vhd h ARG 81 CO -0.00 1.19 0.00 0.66 -1.51 0.00 0.00 179.97 180.31 1vhd n TYR 82 N -4.01 0.19 0.32 2.20 4.01 -0.11 -2.91 117.16 116.85 1vhd n TYR 82 Ca -0.23 0.06 0.16 0.00 -0.16 0.00 0.00 57.90 57.72 1vhd n TYR 82 Cb 0.86 -0.59 0.67 0.00 -0.31 0.00 0.00 39.34 39.97 1vhd n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vhd h ARG 83 N 0.00 0.00 -0.01 -0.72 3.08 -1.22 -1.50 114.38 114.01 1vhd h ARG 83 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vhd h ARG 83 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1vhd h ARG 83 CO 0.00 0.00 -0.13 0.09 -1.07 0.00 0.00 179.97 178.86 1vhd n ASN 84 N -2.75 0.87 -1.04 7.04 3.02 -1.14 -4.84 115.26 116.41 1vhd n ASN 84 Ca 0.01 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1vhd n ASN 84 Cb 0.24 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1vhd n ASN 84 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1vhd n ASP 85 N -0.60 0.39 -3.30 6.41 -0.08 -0.56 -5.11 116.55 113.69 1vhd n ASP 85 Ca 0.15 -0.52 -0.20 0.00 -1.51 0.00 0.00 54.79 52.71 1vhd n ASP 85 Cb 0.31 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.69 1vhd n ASP 85 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1vhd s SER 86 N -0.81 1.15 0.15 1.67 0.15 -1.26 -5.06 113.70 109.69 1vhd s SER 86 Ca 0.00 -2.18 -0.09 0.00 0.70 0.00 0.00 55.95 54.38 1vhd s SER 86 Cb 0.00 0.28 -0.06 0.00 -1.71 0.00 0.00 66.02 64.53 1vhd s SER 86 CO 0.00 -0.21 0.45 -0.36 1.20 0.00 0.00 173.24 174.32 1vhd s PHE 87 N 0.85 3.50 -0.06 3.44 0.40 -1.26 -4.86 117.98 119.98 1vhd s PHE 87 Ca 0.24 0.77 0.12 0.00 -0.60 0.00 0.00 56.93 57.46 1vhd s PHE 87 Cb -0.08 -2.16 -0.23 0.00 0.51 0.00 0.00 43.02 41.05 1vhd s PHE 87 CO -0.08 0.41 0.58 -0.25 0.70 0.00 0.00 175.22 176.58 1vhd n ASP 88 N 0.32 0.86 -3.72 1.36 10.43 0.34 -5.00 116.55 121.13 1vhd n ASP 88 Ca -0.03 0.36 -0.09 0.00 2.57 0.00 0.00 54.79 57.59 1vhd n ASP 88 Cb 0.52 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.45 1vhd n ASP 88 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1vhd s PHE 89 N -2.58 -0.19 -0.02 1.24 -0.12 -1.20 -4.06 117.98 111.06 1vhd s PHE 89 Ca -0.06 -0.16 0.08 0.00 -0.05 0.00 0.00 56.93 56.74 1vhd s PHE 89 Cb 0.08 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1vhd s PHE 89 CO 0.82 -0.98 -0.25 0.08 -0.05 0.00 0.00 175.22 174.84 1vhd s VAL 90 N -3.87 2.00 -0.18 -2.49 1.01 -0.66 -1.97 120.40 114.25 1vhd s VAL 90 Ca 0.09 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 1vhd s VAL 90 Cb -0.02 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1vhd s VAL 90 CO -0.02 0.57 -0.16 -0.69 0.00 0.00 0.00 175.10 174.80 1vhd s VAL 91 N -0.60 2.51 -0.18 2.92 1.01 0.50 -0.85 120.40 125.72 1vhd s VAL 91 Ca 0.10 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1vhd s VAL 91 Cb -0.10 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1vhd s VAL 91 CO -0.01 0.51 0.31 -0.83 0.00 0.00 0.00 175.10 175.08 1vhd s GLY 92 N 1.16 2.16 -0.15 4.51 0.00 0.47 -0.82 107.32 114.64 1vhd s GLY 92 Ca 0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 1vhd s GLY 92 CO -0.06 0.55 -0.04 -2.27 0.00 0.00 0.00 173.10 171.27 1vhd s LEU 93 N 0.77 1.39 0.00 0.66 2.96 -0.53 -0.67 118.68 123.27 1vhd s LEU 93 Ca 0.17 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1vhd s LEU 93 Cb -0.14 -0.81 0.00 0.00 0.50 0.00 0.00 46.19 45.74 1vhd s LEU 93 CO 0.05 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 1vhd n GLY 94 N 4.93 0.59 0.00 7.98 0.00 -0.78 -3.97 105.19 113.94 1vhd n GLY 94 Ca -0.11 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1vhd n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhd n GLY 95 N 0.00 -0.44 0.34 -0.02 0.00 -1.26 -1.29 105.19 102.52 1vhd n GLY 95 Ca 0.00 -1.72 0.07 0.00 0.00 0.00 0.00 46.02 44.37 1vhd n GLY 95 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vhd h GLY 96 N 0.00 0.71 0.93 -0.02 0.00 -1.97 -3.14 103.07 99.58 1vhd h GLY 96 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1vhd h GLY 96 CO 0.00 0.18 -0.42 1.76 0.00 0.00 0.00 176.54 178.06 1vhd h SER 97 N 0.58 -1.02 0.00 0.19 0.02 -1.92 0.13 113.55 111.53 1vhd h SER 97 Ca 0.25 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1vhd h SER 97 Cb 0.25 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1vhd h SER 97 CO -0.07 -0.68 0.00 -0.81 -1.14 0.00 0.00 176.83 174.13 1vhd n PRO 98 N -5.58 0.41 0.00 3.45 -0.04 -1.19 -1.05 135.00 131.01 1vhd n PRO 98 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1vhd n PRO 98 Cb 0.45 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1vhd n PRO 98 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1vhd n ASP 100 N 1.40 0.00 -0.28 3.54 10.43 0.46 -0.97 116.55 131.14 1vhd n ASP 100 Ca 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 54.79 57.34 1vhd n ASP 100 Cb 0.20 0.00 0.10 0.00 1.84 0.00 0.00 41.12 43.26 1vhd n ASP 100 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 1vhd h PHE 101 N 0.00 0.90 -0.96 1.24 3.57 -1.30 -2.44 116.94 117.96 1vhd h PHE 101 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1vhd h PHE 101 Cb 0.00 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.40 1vhd h PHE 101 CO 0.00 0.51 0.62 0.00 -2.23 0.00 0.00 178.31 177.21 1vhd h ALA 102 N 1.33 1.22 -0.61 2.41 0.00 -1.31 -1.46 119.26 120.84 1vhd h ALA 102 Ca 0.31 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1vhd h ALA 102 Cb 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1vhd h ALA 102 CO -0.12 0.63 0.08 0.87 0.00 0.00 0.00 179.25 180.71 1vhd h LYS 103 N 1.31 1.03 -0.36 0.00 1.57 -1.73 -0.19 116.57 118.19 1vhd h LYS 103 Ca 0.35 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1vhd h LYS 103 Cb -0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1vhd h LYS 103 CO -0.07 0.97 -0.03 0.00 -0.57 0.00 0.00 179.45 179.75 1vhd h ALA 104 N 1.01 0.49 -0.70 3.86 0.00 -1.19 -2.97 119.26 119.76 1vhd h ALA 104 Ca 0.18 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1vhd h ALA 104 Cb 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1vhd h ALA 104 CO 0.02 0.28 0.15 0.28 0.00 0.00 0.00 179.25 179.98 1vhd h VAL 105 N 0.46 1.26 -0.51 0.00 2.07 -1.15 -2.33 116.25 116.05 1vhd h VAL 105 Ca 0.10 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.67 1vhd h VAL 105 Cb 0.50 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1vhd h VAL 105 CO 0.02 0.38 0.34 0.00 0.02 0.00 0.00 177.57 178.33 1vhd h ALA 106 N 1.10 1.78 0.01 1.67 0.00 -0.91 -0.21 119.26 122.70 1vhd h ALA 106 Ca 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1vhd h ALA 106 Cb 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1vhd h ALA 106 CO 0.00 0.16 -0.09 0.28 0.00 0.00 0.00 179.25 179.60 1vhd h VAL 107 N 0.55 1.64 0.00 0.00 2.07 -1.36 -1.24 116.25 117.92 1vhd h VAL 107 Ca 0.21 -2.01 -0.02 0.00 0.82 0.00 0.00 66.70 65.70 1vhd h VAL 107 Cb 0.14 2.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1vhd h VAL 107 CO -0.05 0.53 -0.08 -0.07 0.02 0.00 0.00 177.57 177.92 1vhd h LEU 108 N -0.75 0.00 -0.31 2.57 3.38 -1.04 0.27 115.31 119.43 1vhd h LEU 108 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1vhd h LEU 108 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1vhd h LEU 108 CO 0.02 0.08 -0.21 -0.07 0.09 0.00 0.00 178.44 178.35 1vhd h LEU 109 N 0.00 0.00 0.03 1.67 3.38 -1.16 -3.26 115.31 115.97 1vhd h LEU 109 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1vhd h LEU 109 Cb 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1vhd h LEU 109 CO 0.01 0.21 -1.65 1.17 0.09 0.00 0.00 178.44 178.26 1vhd n LYS 110 N -3.19 0.62 -2.92 1.13 3.00 -0.63 -4.52 118.16 111.66 1vhd n LYS 110 Ca 0.02 0.44 -0.44 0.00 -0.00 0.00 0.00 58.31 58.34 1vhd n LYS 110 Cb 0.56 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.90 1vhd n LYS 110 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1vhd n GLU 111 N -4.11 3.71 0.13 1.64 -0.58 0.85 -4.86 120.64 117.42 1vhd n GLU 111 Ca -0.35 -4.09 0.10 0.00 -0.42 0.00 0.00 57.16 52.40 1vhd n GLU 111 Cb 0.82 -2.77 0.48 0.00 -0.57 0.00 0.00 31.44 29.40 1vhd n GLU 111 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1vhd n LYS 112 N 3.53 0.13 -0.02 3.49 5.02 -1.23 -2.04 118.16 127.03 1vhd n LYS 112 Ca 0.32 0.57 0.12 0.00 -2.02 0.00 0.00 58.31 57.30 1vhd n LYS 112 Cb 0.38 -1.87 0.23 0.00 -0.02 0.00 0.00 35.03 33.76 1vhd n LYS 112 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vhd n ASP 113 N -2.13 2.60 -4.92 4.39 8.00 -1.26 -4.96 116.55 118.27 1vhd n ASP 113 Ca -0.00 -1.86 -0.28 0.00 0.71 0.00 0.00 54.79 53.36 1vhd n ASP 113 Cb 0.07 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1vhd n ASP 113 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1vhd s LEU 114 N -1.92 4.14 0.47 0.64 1.43 -0.87 -5.11 118.68 117.46 1vhd s LEU 114 Ca 0.32 0.55 0.08 0.00 -1.03 0.00 0.00 54.13 54.04 1vhd s LEU 114 Cb 0.20 -3.34 0.01 0.00 0.03 0.00 0.00 46.19 43.10 1vhd s LEU 114 CO 0.31 -0.12 0.49 -0.94 0.23 0.00 0.00 176.35 176.32 1vhd s SER 115 N -3.20 5.09 0.19 2.29 1.04 -1.26 -5.00 113.70 112.85 1vhd s SER 115 Ca 0.41 -0.80 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 1vhd s SER 115 Cb -0.11 -0.25 0.09 0.00 0.10 0.00 0.00 66.02 65.85 1vhd s SER 115 CO 0.30 -0.88 1.69 0.58 0.98 0.00 0.00 173.24 175.90 1vhd h VAL 116 N 0.75 1.26 -0.13 5.02 2.07 -1.99 -2.57 116.25 120.67 1vhd h VAL 116 Ca -0.38 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1vhd h VAL 116 Cb 1.28 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1vhd h VAL 116 CO 0.52 0.38 0.08 -0.08 0.02 0.00 0.00 177.57 178.49 1vhd h GLU 117 N 1.00 0.17 0.00 1.57 4.57 -1.99 -0.97 114.58 118.92 1vhd h GLU 117 Ca 0.20 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 1vhd h GLU 117 Cb 0.42 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1vhd h GLU 117 CO 0.01 0.11 -0.07 -0.44 -1.18 0.00 0.00 179.01 177.45 1vhd h ASP 118 N 0.17 0.00 0.34 1.04 3.32 -1.85 -2.26 116.42 117.19 1vhd h ASP 118 Ca 0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1vhd h ASP 118 Cb -0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1vhd h ASP 118 CO -0.01 0.07 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.47 1vhd h LEU 119 N 0.00 0.00 0.00 1.55 3.38 -1.21 -1.11 115.31 117.92 1vhd h LEU 119 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vhd h LEU 119 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1vhd h LEU 119 CO 0.01 0.04 0.00 -1.22 0.09 0.00 0.00 178.44 177.36 1vhd n TYR 120 N -3.35 0.00 -3.39 1.13 4.02 -0.85 -4.45 117.16 110.26 1vhd n TYR 120 Ca -0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.43 1vhd n TYR 120 Cb 0.18 -0.35 -0.06 0.00 -0.02 0.00 0.00 39.34 39.09 1vhd n TYR 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1vhd s ASP 121 N -2.69 6.08 0.36 7.72 -1.08 -0.42 -4.94 116.67 121.69 1vhd s ASP 121 Ca 0.22 -1.94 0.15 0.00 -0.52 0.00 0.00 52.55 50.46 1vhd s ASP 121 Cb 0.18 -2.14 1.06 0.00 -1.46 0.00 0.00 42.92 40.55 1vhd s ASP 121 CO 0.42 -0.77 1.71 0.03 0.52 0.00 0.00 175.17 177.08 1vhd h ARG 122 N 8.61 0.40 0.00 4.34 -0.00 -1.83 0.26 114.38 126.15 1vhd h ARG 122 Ca -0.23 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.23 1vhd h ARG 122 Cb 1.08 -0.09 -0.00 0.00 0.00 0.00 0.00 29.97 30.96 1vhd h ARG 122 CO 0.95 0.26 -0.00 0.93 0.00 0.00 0.00 179.97 182.11 1vhd h GLU 123 N 0.41 0.00 0.00 0.04 5.08 -1.93 -1.83 114.58 116.35 1vhd h GLU 123 Ca 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1vhd h GLU 123 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1vhd h GLU 123 CO -0.47 0.00 -0.75 1.63 -1.00 0.00 0.00 179.01 178.42 1vhd n LYS 124 N -3.68 0.18 -3.21 2.33 5.02 0.89 -4.67 118.16 115.02 1vhd n LYS 124 Ca -0.03 0.02 -0.46 0.00 -2.02 0.00 0.00 58.31 55.82 1vhd n LYS 124 Cb 0.08 -1.58 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 1vhd n LYS 124 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1vhd s VAL 125 N -3.11 5.35 0.00 -0.18 1.01 -0.69 -4.74 120.40 118.05 1vhd s VAL 125 Ca 0.07 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 59.86 1vhd s VAL 125 Cb 0.15 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1vhd s VAL 125 CO 0.75 -1.16 0.23 0.29 0.00 0.00 0.00 175.10 175.21 1vhd n LYS 126 N 4.74 1.25 -3.83 2.72 5.02 -1.26 -4.99 118.16 121.80 1vhd n LYS 126 Ca 0.16 -0.23 -0.12 0.00 -2.02 0.00 0.00 58.31 56.10 1vhd n LYS 126 Cb 0.47 -0.68 -0.11 0.00 -0.02 0.00 0.00 35.03 34.70 1vhd n LYS 126 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1vhd s HIS 127 N -0.24 -0.11 -0.04 2.13 3.76 -1.26 -5.17 115.29 114.36 1vhd s HIS 127 Ca 0.00 0.24 -0.30 0.00 -0.15 0.00 0.00 55.06 54.85 1vhd s HIS 127 Cb 0.00 0.02 0.11 0.00 1.11 0.00 0.00 32.58 33.82 1vhd s HIS 127 CO 0.00 -0.19 0.95 1.67 -0.85 0.00 0.00 174.74 176.32 1vhd s TRP 128 N -0.57 -0.31 0.43 1.40 -2.14 -1.26 -4.55 118.94 111.93 1vhd s TRP 128 Ca -0.07 0.20 -0.21 0.00 2.66 0.00 0.00 56.10 58.68 1vhd s TRP 128 Cb -0.04 0.53 -0.11 0.00 -3.10 0.00 0.00 33.47 30.75 1vhd s TRP 128 CO 0.01 -0.48 0.95 -0.51 -2.66 0.00 0.00 176.95 174.26 1vhd s LEU 129 N -2.38 3.95 0.62 -4.66 1.43 -0.47 -4.98 118.68 112.20 1vhd s LEU 129 Ca 0.06 1.69 -0.18 0.00 -1.03 0.00 0.00 54.13 54.67 1vhd s LEU 129 Cb -0.01 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 1vhd s LEU 129 CO -0.08 -0.35 1.22 -2.84 0.23 0.00 0.00 176.35 174.54 1vhd s PRO 130 N -3.15 2.77 -0.04 1.29 0.02 -1.26 -4.77 135.00 129.88 1vhd s PRO 130 Ca 0.62 1.86 0.06 0.00 0.02 0.00 0.00 61.00 63.56 1vhd s PRO 130 Cb -0.09 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.52 1vhd s PRO 130 CO 0.13 -1.37 -0.23 0.08 -0.33 0.00 0.00 177.00 175.29 1vhd s VAL 131 N -1.61 1.83 -0.09 3.83 1.01 -1.26 -1.65 120.40 122.45 1vhd s VAL 131 Ca 0.78 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1vhd s VAL 131 Cb -0.32 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1vhd s VAL 131 CO 0.36 0.52 -0.20 -0.69 0.00 0.00 0.00 175.10 175.09 1vhd s VAL 132 N -0.31 2.45 -0.06 2.92 1.01 -0.03 -0.41 120.40 125.98 1vhd s VAL 132 Ca 0.02 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1vhd s VAL 132 Cb -0.11 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1vhd s VAL 132 CO 0.01 0.56 -0.21 -1.61 0.00 0.00 0.00 175.10 173.85 1vhd s GLU 133 N 0.08 2.60 -0.43 2.72 0.41 -0.58 -0.40 118.70 123.10 1vhd s GLU 133 Ca -0.09 -0.83 0.02 0.00 -0.41 0.00 0.00 54.97 53.66 1vhd s GLU 133 Cb -0.15 -2.26 0.14 0.00 -1.78 0.00 0.00 34.13 30.08 1vhd s GLU 133 CO 0.06 0.43 0.24 0.42 -0.49 0.00 0.00 175.26 175.92 1vhd s ILE 134 N -0.26 1.30 0.49 -1.63 1.01 0.16 -1.24 121.20 121.02 1vhd s ILE 134 Ca 0.00 -2.50 -0.22 0.00 0.00 0.00 0.00 60.65 57.93 1vhd s ILE 134 Cb -0.13 -1.91 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 1vhd s ILE 134 CO 0.03 -0.91 1.14 -2.16 0.00 0.00 0.00 174.94 173.04 1vhd s PRO 135 N 0.39 3.64 0.00 2.79 0.04 -1.25 -1.87 135.00 138.73 1vhd s PRO 135 Ca 0.18 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1vhd s PRO 135 Cb -0.24 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1vhd s PRO 135 CO -0.00 -0.63 0.66 0.25 0.04 0.00 0.00 177.00 177.32 1vhd n THR 136 N -0.79 0.43 -4.30 1.26 -2.24 -0.41 -4.63 114.28 103.60 1vhd n THR 136 Ca 0.09 -0.51 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 1vhd n THR 136 Cb 0.49 0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 1vhd n THR 136 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1vhd s THR 137 N -0.43 1.49 -0.57 4.28 -4.23 -1.26 -4.17 115.64 110.74 1vhd s THR 137 Ca 0.00 -2.10 0.06 0.00 -1.18 0.00 0.00 61.69 58.48 1vhd s THR 137 Cb 0.00 -1.91 0.24 0.00 1.34 0.00 0.00 72.50 72.16 1vhd s THR 137 CO 0.00 -0.63 0.64 0.00 -0.54 0.00 0.00 174.62 174.10 1vhd n ALA 138 N -0.20 3.52 0.00 3.99 0.00 -1.26 -4.45 120.51 122.11 1vhd n ALA 138 Ca -0.10 -4.32 0.00 0.00 0.00 0.00 0.00 53.44 49.03 1vhd n ALA 138 Cb 0.60 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1vhd n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vhd n GLY 139 N 1.21 2.53 0.12 0.00 0.00 -0.15 -2.84 105.19 106.06 1vhd n GLY 139 Ca 0.27 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.36 1vhd n GLY 139 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1vhd h THR 140 N 1.00 0.00 -0.36 2.61 1.35 -1.84 -3.15 112.91 112.52 1vhd h THR 140 Ca 0.00 -0.85 -0.16 0.00 -0.55 0.00 0.00 66.41 64.85 1vhd h THR 140 Cb 0.00 1.48 -0.06 0.00 -1.73 0.00 0.00 68.15 67.84 1vhd h THR 140 CO 0.00 0.00 -0.14 0.61 -0.25 0.00 0.00 175.52 175.74 1vhd n GLY 141 N 1.21 0.90 0.31 5.82 0.00 -1.25 -4.72 105.19 107.46 1vhd n GLY 141 Ca 0.02 -0.28 0.18 0.00 0.00 0.00 0.00 46.02 45.93 1vhd n GLY 141 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1vhd h SER 142 N 0.00 0.00 0.42 1.61 0.87 -1.92 -1.74 113.55 112.79 1vhd h SER 142 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1vhd h SER 142 Cb 0.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1vhd h SER 142 CO 0.23 0.02 0.00 1.05 -0.53 0.00 0.00 176.83 177.60 1vhd h GLU 143 N 0.00 0.00 0.00 2.24 9.09 -1.94 -2.88 114.58 121.09 1vhd h GLU 143 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 1vhd h GLU 143 Cb 0.06 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.10 1vhd h GLU 143 CO 0.00 0.00 -0.42 1.33 0.05 0.00 0.00 179.01 179.97 1vhd n VAL 144 N -2.40 1.29 -4.35 -1.06 0.24 -0.66 -4.58 118.33 106.81 1vhd n VAL 144 Ca 0.00 -1.89 -0.18 0.00 -2.04 0.00 0.00 64.34 60.23 1vhd n VAL 144 Cb 0.15 0.12 -0.10 0.00 -1.47 0.00 0.00 33.84 32.54 1vhd n VAL 144 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1vhd s THR 145 N -1.93 1.37 -1.97 3.34 -4.23 -1.09 -4.72 115.64 106.41 1vhd s THR 145 Ca 0.28 -2.10 0.22 0.00 -1.18 0.00 0.00 61.69 58.91 1vhd s THR 145 Cb 0.27 -2.26 0.64 0.00 1.34 0.00 0.00 72.50 72.49 1vhd s THR 145 CO -0.04 -0.42 1.53 -0.81 -0.54 0.00 0.00 174.62 174.34 1vhd n PRO 146 N -0.43 2.71 -3.28 3.99 -0.04 -1.26 -4.36 135.00 132.33 1vhd n PRO 146 Ca -0.06 -2.60 -0.31 0.00 -0.04 0.00 0.00 63.50 60.49 1vhd n PRO 146 Cb 0.63 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 1vhd n PRO 146 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1vhd s TYR 147 N -1.07 3.43 -0.02 0.54 4.12 -1.26 0.48 117.35 123.57 1vhd s TYR 147 Ca 0.48 0.90 0.00 0.00 0.02 0.00 0.00 57.07 58.47 1vhd s TYR 147 Cb 0.25 -2.29 0.03 0.00 -1.52 0.00 0.00 41.96 38.43 1vhd s TYR 147 CO 0.32 0.17 0.02 0.45 0.02 0.00 0.00 175.55 176.53 1vhd s SER 148 N -2.63 0.16 -0.18 2.29 0.15 -0.73 -4.80 113.70 107.96 1vhd s SER 148 Ca 0.48 0.02 -0.00 0.00 0.70 0.00 0.00 55.95 57.15 1vhd s SER 148 Cb -0.11 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1vhd s SER 148 CO 0.24 -0.12 -0.15 -0.63 1.20 0.00 0.00 173.24 173.78 1vhd s ILE 149 N 1.05 2.54 0.18 6.45 -1.09 -1.26 -1.28 121.20 127.78 1vhd s ILE 149 Ca -0.09 -0.79 0.07 0.00 -2.23 0.00 0.00 60.65 57.61 1vhd s ILE 149 Cb -0.13 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 1vhd s ILE 149 CO -0.03 0.50 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.28 1vhd s LEU 150 N 1.21 2.51 -0.27 2.97 1.43 -0.66 -4.69 118.68 121.17 1vhd s LEU 150 Ca 0.02 -0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 52.01 1vhd s LEU 150 Cb -0.14 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 1vhd s LEU 150 CO -0.07 -0.17 0.38 -0.89 0.23 0.00 0.00 176.35 175.83 1vhd s THR 151 N -2.76 5.17 0.95 5.49 2.01 -0.00 -0.85 115.64 125.65 1vhd s THR 151 Ca 0.19 0.55 -0.14 0.00 0.31 0.00 0.00 61.69 62.60 1vhd s THR 151 Cb -0.02 -3.71 0.16 0.00 0.01 0.00 0.00 72.50 68.95 1vhd s THR 151 CO 0.05 0.14 1.16 1.51 -0.69 0.00 0.00 174.62 176.80 1vhd s ASP 152 N 1.64 3.15 0.51 3.53 3.84 -0.40 -2.37 116.67 126.57 1vhd s ASP 152 Ca 0.15 0.82 0.27 0.00 -0.00 0.00 0.00 52.55 53.79 1vhd s ASP 152 Cb -0.16 -1.28 1.37 0.00 -1.38 0.00 0.00 42.92 41.47 1vhd s ASP 152 CO 0.10 -2.76 1.91 -0.65 -0.00 0.00 0.00 175.17 173.77 1vhd h PRO 153 N -1.65 0.09 0.00 2.11 0.11 -1.98 0.25 132.00 130.93 1vhd h PRO 153 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1vhd h PRO 153 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1vhd h PRO 153 CO 0.55 0.06 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 1vhd n GLU 154 N -4.35 0.06 -0.36 1.05 1.02 -1.26 -4.90 120.64 111.90 1vhd n GLU 154 Ca 0.16 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1vhd n GLU 154 Cb 0.81 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1vhd n GLU 154 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vhd n GLY 155 N 1.39 0.79 3.69 0.62 0.00 0.87 -5.08 105.19 107.46 1vhd n GLY 155 Ca 0.07 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1vhd n GLY 155 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vhd s ASN 156 N -2.30 5.69 0.06 1.61 0.01 -1.25 -4.82 114.94 113.93 1vhd s ASN 156 Ca 0.00 0.16 -0.31 0.00 -0.71 0.00 0.00 52.86 52.00 1vhd s ASN 156 Cb 0.00 -1.89 -0.07 0.00 0.41 0.00 0.00 41.25 39.70 1vhd s ASN 156 CO 0.00 0.25 1.35 -0.54 -1.51 0.00 0.00 177.10 176.65 1vhd s LYS 157 N -0.10 4.33 -0.02 -0.60 -0.14 -1.26 -1.28 119.74 120.67 1vhd s LYS 157 Ca 0.07 1.97 0.00 0.00 -1.36 0.00 0.00 55.97 56.65 1vhd s LYS 157 Cb -0.12 -3.37 0.02 0.00 -1.68 0.00 0.00 37.83 32.67 1vhd s LYS 157 CO 0.01 -0.44 0.01 1.03 -0.76 0.00 0.00 175.35 175.20 1vhd s ARG 158 N 1.50 0.11 0.17 1.68 0.52 -0.03 -4.96 118.95 117.95 1vhd s ARG 158 Ca 0.63 0.08 0.07 0.00 -0.52 0.00 0.00 55.73 55.98 1vhd s ARG 158 Cb -0.33 -0.27 -0.04 0.00 0.52 0.00 0.00 34.95 34.83 1vhd s ARG 158 CO 0.29 -0.09 0.04 0.20 0.02 0.00 0.00 175.30 175.75 1vhd s GLY 159 N 0.69 1.72 0.06 -3.53 0.00 -1.26 -1.66 107.32 103.34 1vhd s GLY 159 Ca -0.06 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1vhd s GLY 159 CO -0.02 -1.34 -0.04 0.00 0.00 0.00 0.00 173.10 171.70 1vhd s THR 161 N -3.58 4.53 0.00 0.00 2.01 -1.26 -1.77 115.64 115.57 1vhd s THR 161 Ca 0.07 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1vhd s THR 161 Cb 0.05 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1vhd s THR 161 CO -0.07 0.27 0.00 0.18 -0.69 0.00 0.00 174.62 174.31 1vhd n LEU 162 N 4.96 0.00 -4.48 4.42 4.77 0.18 -4.88 117.00 121.97 1vhd n LEU 162 Ca -0.15 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.51 1vhd n LEU 162 Cb 0.51 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1vhd n LEU 162 CO 0.32 -0.41 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.15 1vhd s PHE 164 N -0.81 2.67 0.60 -1.77 0.40 -1.26 -4.96 117.98 112.84 1vhd s PHE 164 Ca 0.00 -0.18 -0.19 0.00 -0.60 0.00 0.00 56.93 55.96 1vhd s PHE 164 Cb 0.00 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 1vhd s PHE 164 CO 0.00 0.21 1.23 -2.14 0.70 0.00 0.00 175.22 175.22 1vhd s PRO 165 N -0.97 2.93 0.09 0.24 0.02 -1.26 -4.77 135.00 131.28 1vhd s PRO 165 Ca 0.13 1.89 -0.14 0.00 0.02 0.00 0.00 61.00 62.90 1vhd s PRO 165 Cb -0.11 -1.95 -0.19 0.00 0.02 0.00 0.00 34.50 32.28 1vhd s PRO 165 CO 0.02 -1.25 1.25 -0.24 -0.33 0.00 0.00 177.00 176.45 1vhd h VAL 166 N 0.89 1.28 -3.98 3.83 3.04 -1.11 -3.36 116.25 116.85 1vhd h VAL 166 Ca -0.51 -2.08 -0.35 0.00 -1.01 0.00 0.00 66.70 62.75 1vhd h VAL 166 Cb 1.30 2.17 -0.27 0.00 -2.01 0.00 0.00 31.29 32.49 1vhd h VAL 166 CO 0.55 0.65 -0.76 -0.31 -1.01 0.00 0.00 177.57 176.69 1vhd s TYR 167 N -3.55 0.72 -0.09 3.17 4.12 -1.24 -1.66 117.35 118.82 1vhd s TYR 167 Ca -0.10 -0.22 0.02 0.00 0.02 0.00 0.00 57.07 56.79 1vhd s TYR 167 Cb 0.08 -0.45 0.01 0.00 -1.52 0.00 0.00 41.96 40.08 1vhd s TYR 167 CO 0.91 -0.02 -0.15 0.00 0.02 0.00 0.00 175.55 176.31 1vhd s ALA 168 N -0.49 1.55 -0.23 3.71 0.00 -0.61 -1.53 121.76 124.16 1vhd s ALA 168 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1vhd s ALA 168 Cb -0.05 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.42 1vhd s ALA 168 CO 0.00 0.07 -0.14 -0.06 0.00 0.00 0.00 175.76 175.63 1vhd s PHE 169 N 0.75 3.09 -0.31 0.00 0.40 -0.37 -0.91 117.98 120.63 1vhd s PHE 169 Ca -0.12 -2.08 -0.04 0.00 -0.60 0.00 0.00 56.93 54.09 1vhd s PHE 169 Cb -0.16 -1.93 0.04 0.00 0.51 0.00 0.00 43.02 41.48 1vhd s PHE 169 CO 0.03 -0.85 0.04 -0.51 0.70 0.00 0.00 175.22 174.63 1vhd s LEU 170 N 1.17 3.98 -0.33 -0.37 1.02 0.58 -3.87 118.68 120.86 1vhd s LEU 170 Ca -0.04 -1.12 -0.03 0.00 0.02 0.00 0.00 54.13 52.96 1vhd s LEU 170 Cb -0.17 -1.79 0.06 0.00 0.02 0.00 0.00 46.19 44.31 1vhd s LEU 170 CO -0.08 -0.26 0.06 -0.62 0.02 0.00 0.00 176.35 175.47 1vhd s ASP 171 N 1.35 5.09 0.57 2.29 3.68 -1.26 -0.91 116.67 127.47 1vhd s ASP 171 Ca -0.02 -1.34 0.27 0.00 2.13 0.00 0.00 52.55 53.59 1vhd s ASP 171 Cb -0.19 -1.78 1.50 0.00 -1.45 0.00 0.00 42.92 41.00 1vhd s ASP 171 CO 0.00 -0.33 2.00 1.55 0.13 0.00 0.00 175.17 178.53 1vhd h PRO 172 N 8.08 0.00 -0.42 4.34 0.13 -1.95 -2.09 132.00 140.09 1vhd h PRO 172 Ca -0.21 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.01 1vhd h PRO 172 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1vhd h PRO 172 CO 0.58 0.00 0.29 0.00 -0.23 0.00 0.00 178.00 178.64 1vhd h ARG 173 N 0.00 0.18 0.00 0.86 3.08 -1.94 -0.83 114.38 115.74 1vhd h ARG 173 Ca 0.19 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1vhd h ARG 173 Cb 0.89 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 1vhd h ARG 173 CO -0.00 0.12 -0.10 1.88 -1.07 0.00 0.00 179.97 180.80 1vhd h TYR 174 N 0.19 0.00 -0.00 3.04 0.99 -1.62 -2.59 116.97 116.98 1vhd h TYR 174 Ca 0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.92 1vhd h TYR 174 Cb 0.53 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.26 1vhd h TYR 174 CO -0.00 0.10 -0.33 0.25 -0.00 0.00 0.00 178.16 178.18 1vhd n THR 175 N -3.41 0.00 0.31 -2.88 -2.24 -0.32 -3.88 114.28 101.87 1vhd n THR 175 Ca -0.01 -0.01 0.16 0.00 -2.27 0.00 0.00 64.05 61.92 1vhd n THR 175 Cb 0.27 0.01 0.69 0.00 -2.10 0.00 0.00 70.33 69.20 1vhd n THR 175 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1vhd h TYR 176 N 0.06 0.00 -1.77 4.78 0.05 -1.50 -3.47 116.97 115.12 1vhd h TYR 176 Ca 0.00 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 58.12 1vhd h TYR 176 Cb 0.49 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.09 1vhd h TYR 176 CO 0.00 0.00 1.27 -1.54 -1.05 0.00 0.00 178.16 176.84 1vhd s SER 177 N -5.10 6.66 0.35 3.88 1.04 -1.25 -5.11 113.70 114.17 1vhd s SER 177 Ca 0.01 -1.98 0.09 0.00 0.48 0.00 0.00 55.95 54.54 1vhd s SER 177 Cb 0.09 -2.48 -0.06 0.00 0.10 0.00 0.00 66.02 63.68 1vhd s SER 177 CO 0.46 -1.19 -0.00 -0.94 0.98 0.00 0.00 173.24 172.54 1vhd s SER 179 N 4.08 4.05 0.23 7.02 1.04 -1.26 -5.11 113.70 123.75 1vhd s SER 179 Ca 0.41 -1.09 -0.07 0.00 0.48 0.00 0.00 55.95 55.68 1vhd s SER 179 Cb -0.02 -0.47 0.20 0.00 0.10 0.00 0.00 66.02 65.83 1vhd s SER 179 CO -0.07 -0.27 1.84 0.44 0.98 0.00 0.00 173.24 176.16 1vhd h ASP 180 N 1.83 1.13 -0.62 7.02 3.45 -1.95 -0.61 116.42 126.67 1vhd h ASP 180 Ca -0.43 -0.12 -0.05 0.00 0.43 0.00 0.00 57.03 56.87 1vhd h ASP 180 Cb 1.25 -0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 39.71 1vhd h ASP 180 CO 0.69 0.92 0.18 -0.08 -1.57 0.00 0.00 179.24 179.39 1vhd h GLU 181 N 1.25 0.96 -0.18 3.56 4.57 -1.99 -0.62 114.58 122.13 1vhd h GLU 181 Ca 0.31 -0.21 -0.15 0.00 -1.18 0.00 0.00 59.36 58.13 1vhd h GLU 181 Cb 0.07 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1vhd h GLU 181 CO -0.04 0.86 -0.50 1.25 -1.18 0.00 0.00 179.01 179.40 1vhd h LEU 182 N 0.89 0.54 -0.74 1.64 5.85 -1.93 -1.24 115.31 120.31 1vhd h LEU 182 Ca 0.20 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1vhd h LEU 182 Cb 0.30 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1vhd h LEU 182 CO -0.00 0.94 0.33 0.74 -0.34 0.00 0.00 178.44 180.11 1vhd h THR 183 N 0.39 1.25 0.18 1.05 2.02 -0.84 -0.08 112.91 116.88 1vhd h THR 183 Ca 0.02 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1vhd h THR 183 Cb 1.01 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1vhd h THR 183 CO 0.09 0.30 -0.09 0.25 0.37 0.00 0.00 175.52 176.44 1vhd h LEU 184 N 1.05 -0.21 -0.09 2.58 5.85 -0.83 -0.73 115.31 122.94 1vhd h LEU 184 Ca 0.25 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1vhd h LEU 184 Cb 0.16 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1vhd h LEU 184 CO -0.03 0.02 0.04 -1.28 -0.34 0.00 0.00 178.44 176.86 1vhd h SER 185 N -0.44 0.12 -0.09 1.25 0.87 -1.08 -1.16 113.55 113.03 1vhd h SER 185 Ca -0.02 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.33 1vhd h SER 185 Cb 0.34 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1vhd h SER 185 CO 0.04 0.20 -0.21 0.71 -0.53 0.00 0.00 176.83 177.05 1vhd h THR 186 N 0.03 1.25 -0.40 2.23 1.35 -1.07 -1.44 112.91 114.86 1vhd h THR 186 Ca 0.03 -1.19 -0.08 0.00 -0.55 0.00 0.00 66.41 64.62 1vhd h THR 186 Cb 0.12 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 1vhd h THR 186 CO -0.00 0.38 -0.08 1.23 -0.25 0.00 0.00 175.52 176.80 1vhd h GLY 187 N 0.99 0.74 2.00 5.82 0.00 -0.92 -0.09 103.07 111.61 1vhd h GLY 187 Ca 0.07 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 1vhd h GLY 187 CO 0.04 0.48 -0.57 -2.08 0.00 0.00 0.00 176.54 174.41 1vhd h VAL 188 N 0.64 1.21 -0.24 4.60 2.07 -0.84 -0.79 116.25 122.89 1vhd h VAL 188 Ca 0.12 -2.12 -0.03 0.00 0.82 0.00 0.00 66.70 65.49 1vhd h VAL 188 Cb 0.51 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1vhd h VAL 188 CO 0.03 0.56 0.02 -0.78 0.02 0.00 0.00 177.57 177.42 1vhd h ASP 189 N 0.00 0.40 -0.51 0.57 3.58 -0.72 0.12 116.42 119.86 1vhd h ASP 189 Ca -0.01 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.17 1vhd h ASP 189 Cb 1.16 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 42.08 1vhd h ASP 189 CO 0.07 0.58 0.34 0.00 -2.88 0.00 0.00 179.24 177.35 1vhd h ALA 190 N 0.83 0.65 -0.38 -0.78 0.00 -1.05 -0.33 119.26 118.20 1vhd h ALA 190 Ca 0.07 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1vhd h ALA 190 Cb 0.36 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1vhd h ALA 190 CO 0.01 0.08 0.14 1.25 0.00 0.00 0.00 179.25 180.73 1vhd h LEU 191 N 0.68 0.16 -1.07 0.00 6.46 -0.92 -1.72 115.31 118.91 1vhd h LEU 191 Ca 0.19 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 1vhd h LEU 191 Cb -0.07 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 1vhd h LEU 191 CO -0.05 0.13 0.32 0.77 -0.62 0.00 0.00 178.44 178.98 1vhd h SER 192 N 0.30 0.89 -0.30 1.25 4.64 -0.13 -0.24 113.55 119.95 1vhd h SER 192 Ca 0.17 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1vhd h SER 192 Cb 0.15 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1vhd h SER 192 CO -0.17 0.76 0.14 0.45 -0.87 0.00 0.00 176.83 177.14 1vhd h HIS 193 N 0.97 0.44 -0.34 4.77 3.86 -0.46 0.26 115.15 124.65 1vhd h HIS 193 Ca 0.24 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.38 1vhd h HIS 193 Cb 0.12 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1vhd h HIS 193 CO 0.01 0.40 0.05 0.00 0.86 0.00 0.00 177.93 179.25 1vhd h ALA 194 N 0.99 0.46 -0.01 2.45 0.00 -1.00 -0.71 119.26 121.44 1vhd h ALA 194 Ca 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1vhd h ALA 194 Cb 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1vhd h ALA 194 CO -0.01 0.17 0.00 0.28 0.00 0.00 0.00 179.25 179.69 1vhd h VAL 195 N 0.40 1.24 -0.60 0.00 2.07 -0.93 -1.60 116.25 116.83 1vhd h VAL 195 Ca 0.10 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1vhd h VAL 195 Cb 0.37 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1vhd h VAL 195 CO 0.01 0.19 0.16 -0.33 0.02 0.00 0.00 177.57 177.62 1vhd h GLU 196 N -0.27 0.93 -0.43 1.57 5.08 -0.51 -1.05 114.58 119.90 1vhd h GLU 196 Ca 0.00 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1vhd h GLU 196 Cb 0.30 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1vhd h GLU 196 CO 0.00 0.82 -0.05 0.78 -1.00 0.00 0.00 179.01 179.56 1vhd h GLY 197 N 1.02 0.79 1.21 -3.84 0.00 -1.08 0.11 103.07 101.27 1vhd h GLY 197 Ca 0.20 -0.55 -0.17 0.00 0.00 0.00 0.00 47.33 46.81 1vhd h GLY 197 CO -0.00 0.51 -0.47 -1.82 0.00 0.00 0.00 176.54 174.76 1vhd h TYR 198 N 0.68 1.04 0.00 5.60 3.20 -0.84 -3.25 116.97 123.39 1vhd h TYR 198 Ca 0.13 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.66 1vhd h TYR 198 Cb 0.50 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1vhd h TYR 198 CO 0.02 1.15 -0.46 -0.07 -1.64 0.00 0.00 178.16 177.17 1vhd h LEU 199 N 0.67 0.00-10.06 2.82 3.38 -1.03 -3.45 115.31 107.64 1vhd h LEU 199 Ca 0.04 -0.13 -0.56 0.00 0.09 0.00 0.00 57.88 57.32 1vhd h LEU 199 Cb 1.06 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.96 1vhd h LEU 199 CO 0.11 0.07 0.55 -0.24 0.09 0.00 0.00 178.44 179.01 1vhd n SER 200 N -2.24 2.36 0.28 -0.43 2.88 0.35 -4.56 113.62 112.26 1vhd n SER 200 Ca 0.04 0.91 0.18 0.00 -1.33 0.00 0.00 58.87 58.67 1vhd n SER 200 Cb 0.45 -1.56 0.88 0.00 -0.75 0.00 0.00 64.21 63.23 1vhd n SER 200 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1vhd h ARG 201 N 1.01 0.00 -0.51 -1.46 3.08 -1.61 -1.34 114.38 113.55 1vhd h ARG 201 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1vhd h ARG 201 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1vhd h ARG 201 CO 0.55 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 181.08 1vhd n LYS 202 N -2.90 2.31 -1.71 0.04 5.02 -1.26 -4.96 118.16 114.70 1vhd n LYS 202 Ca -0.01 -1.71 -0.40 0.00 -2.02 0.00 0.00 58.31 54.17 1vhd n LYS 202 Cb 0.17 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1vhd n LYS 202 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1vhd n SER 203 N 0.77 2.43 -4.28 4.39 2.88 -0.51 -4.58 113.62 114.73 1vhd n SER 203 Ca 0.16 1.02 -0.15 0.00 -1.33 0.00 0.00 58.87 58.57 1vhd n SER 203 Cb 0.47 -1.52 -0.10 0.00 -0.75 0.00 0.00 64.21 62.31 1vhd n SER 203 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1vhd s THR 204 N -1.27 0.86 0.13 2.46 -4.23 -1.26 -5.02 115.64 107.32 1vhd s THR 204 Ca 0.67 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.98 1vhd s THR 204 Cb -0.46 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 1vhd s THR 204 CO 0.53 -0.44 1.75 -0.65 -0.54 0.00 0.00 174.62 175.28 1vhd h PRO 205 N 2.61 0.21 -0.55 3.99 0.11 -1.98 0.87 132.00 137.27 1vhd h PRO 205 Ca -0.37 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 1vhd h PRO 205 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1vhd h PRO 205 CO 0.63 0.14 0.23 -1.35 -0.21 0.00 0.00 178.00 177.45 1vhd h PRO 206 N 0.22 0.81 -0.19 1.05 0.11 -1.97 -1.25 132.00 130.79 1vhd h PRO 206 Ca 0.11 -0.14 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 1vhd h PRO 206 Cb 0.07 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1vhd h PRO 206 CO -0.10 0.70 -0.35 0.66 -0.21 0.00 0.00 178.00 178.69 1vhd h SER 207 N 0.75 0.40 -0.54 -2.05 4.64 -1.89 -2.14 113.55 112.71 1vhd h SER 207 Ca 0.19 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 1vhd h SER 207 Cb 0.18 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1vhd h SER 207 CO -0.02 0.73 0.15 0.44 -0.87 0.00 0.00 176.83 177.26 1vhd h ASP 208 N 0.33 0.81 -0.34 4.97 3.45 -0.54 0.12 116.42 125.22 1vhd h ASP 208 Ca 0.04 -0.22 0.03 0.00 0.43 0.00 0.00 57.03 57.31 1vhd h ASP 208 Cb 0.78 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.30 1vhd h ASP 208 CO 0.06 0.81 0.16 0.00 -1.57 0.00 0.00 179.24 178.70 1vhd h ALA 209 N 1.02 0.42 -0.48 3.45 0.00 -0.90 -0.54 119.26 122.24 1vhd h ALA 209 Ca 0.17 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1vhd h ALA 209 Cb 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1vhd h ALA 209 CO -0.00 -0.22 -0.16 -0.07 0.00 0.00 0.00 179.25 178.79 1vhd h LEU 210 N 0.33 0.93 -0.56 0.00 3.38 -1.17 -2.98 115.31 115.24 1vhd h LEU 210 Ca 0.15 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1vhd h LEU 210 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1vhd h LEU 210 CO -0.12 1.08 0.04 0.00 0.09 0.00 0.00 178.44 179.54 1vhd h ALA 211 N 0.99 0.74 -0.33 1.53 0.00 -0.38 -1.22 119.26 120.60 1vhd h ALA 211 Ca 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1vhd h ALA 211 Cb 0.71 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1vhd h ALA 211 CO 0.05 0.53 0.19 0.82 0.00 0.00 0.00 179.25 180.85 1vhd h ILE 212 N 0.84 1.12 -0.49 0.00 2.04 -1.09 -2.71 117.51 117.21 1vhd h ILE 212 Ca 0.16 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1vhd h ILE 212 Cb 0.48 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1vhd h ILE 212 CO 0.02 0.12 0.14 -0.08 0.00 0.00 0.00 178.15 178.34 1vhd h GLU 213 N 0.42 0.78 -1.08 2.37 4.57 -1.42 -1.76 114.58 118.46 1vhd h GLU 213 Ca 0.12 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1vhd h GLU 213 Cb 0.02 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1vhd h GLU 213 CO -0.02 0.74 0.00 0.00 -1.18 0.00 0.00 179.01 178.55 1vhd n ALA 214 N -2.37 1.25 0.00 2.92 0.00 -0.47 -1.18 120.51 120.66 1vhd n ALA 214 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1vhd n ALA 214 Cb 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1vhd n ALA 214 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vhd n LYS 216 N 0.76 0.00 -0.10 0.00 5.02 -0.66 -1.02 118.16 122.16 1vhd n LYS 216 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1vhd n LYS 216 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1vhd n LYS 216 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1vhd h ILE 217 N 0.00 1.17 -0.59 -0.18 2.04 -1.42 -2.24 117.51 116.29 1vhd h ILE 217 Ca 0.00 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1vhd h ILE 217 Cb 0.00 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1vhd h ILE 217 CO 0.00 0.18 0.25 0.40 0.00 0.00 0.00 178.15 178.98 1vhd h ILE 218 N 0.37 1.22 -0.71 -0.67 2.04 -1.33 -0.48 117.51 117.96 1vhd h ILE 218 Ca 0.11 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1vhd h ILE 218 Cb 0.15 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1vhd h ILE 218 CO -0.01 0.27 0.47 -0.74 0.00 0.00 0.00 178.15 178.13 1vhd h HIS 219 N 0.82 0.89 0.00 1.37 2.76 -1.78 0.23 115.15 119.44 1vhd h HIS 219 Ca 0.20 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.29 1vhd h HIS 219 Cb 0.18 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 1vhd h HIS 219 CO 0.01 0.55 -0.47 0.00 -1.30 0.00 0.00 177.93 176.72 1vhd h ARG 220 N 0.95 0.00 0.00 5.26 3.08 -1.13 -3.40 114.38 119.15 1vhd h ARG 220 Ca 0.26 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1vhd h ARG 220 Cb -0.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1vhd h ARG 220 CO -0.06 0.47 -1.37 0.09 -1.07 0.00 0.00 179.97 178.02 1vhd n ASN 221 N -3.39 3.23 -0.15 7.04 3.02 -0.21 -4.77 115.26 120.02 1vhd n ASN 221 Ca 0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 1vhd n ASN 221 Cb 0.63 1.25 0.05 0.00 -0.61 0.00 0.00 39.78 41.10 1vhd n ASN 221 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1vhd h LEU 222 N 0.00 0.26 -0.36 3.41 5.85 -1.16 0.09 115.31 123.40 1vhd h LEU 222 Ca -0.03 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1vhd h LEU 222 Cb 0.52 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1vhd h LEU 222 CO 0.00 0.19 0.16 -0.65 -0.34 0.00 0.00 178.44 177.79 1vhd h PRO 223 N 0.41 0.32 -0.38 5.25 0.11 -1.85 -1.22 132.00 134.65 1vhd h PRO 223 Ca 0.22 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.22 1vhd h PRO 223 Cb 0.17 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1vhd h PRO 223 CO -0.19 0.21 -0.11 0.87 -0.21 0.00 0.00 178.00 178.58 1vhd h LYS 224 N 0.33 0.66 -0.31 1.05 1.57 -1.79 -2.79 116.57 115.28 1vhd h LYS 224 Ca 0.16 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1vhd h LYS 224 Cb 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1vhd h LYS 224 CO -0.14 0.75 0.15 0.00 -0.57 0.00 0.00 179.45 179.64 1vhd h ALA 225 N 1.28 0.40 -0.95 3.86 0.00 -0.48 -1.58 119.26 121.79 1vhd h ALA 225 Ca 0.11 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1vhd h ALA 225 Cb 0.54 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1vhd h ALA 225 CO 0.03 -0.03 0.61 0.82 0.00 0.00 0.00 179.25 180.68 1vhd h ILE 226 N 0.37 1.01 0.00 0.00 2.04 -1.09 0.11 117.51 119.94 1vhd h ILE 226 Ca 0.11 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1vhd h ILE 226 Cb 0.12 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1vhd h ILE 226 CO -0.01 0.19 0.00 -0.62 0.00 0.00 0.00 178.15 177.70 1vhd n GLU 227 N -4.53 0.05 0.00 2.37 1.02 -0.88 -4.50 120.64 114.18 1vhd n GLU 227 Ca 0.16 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1vhd n GLU 227 Cb 0.26 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1vhd n GLU 227 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vhd n GLY 228 N 0.08 0.89 3.66 0.62 0.00 0.36 -5.06 105.19 105.74 1vhd n GLY 228 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1vhd n GLY 228 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1vhd s ASN 229 N -2.15 6.58 0.17 1.61 3.84 -0.65 -4.90 114.94 119.44 1vhd s ASN 229 Ca 0.00 2.24 -0.13 0.00 0.21 0.00 0.00 52.86 55.17 1vhd s ASN 229 Cb 0.00 -2.53 0.06 0.00 -0.55 0.00 0.00 41.25 38.23 1vhd s ASN 229 CO 0.00 -1.00 1.76 0.03 -2.79 0.00 0.00 177.10 175.10 1vhd h ARG 230 N 9.92 0.78 -0.76 0.43 3.08 -1.93 -1.38 114.38 124.53 1vhd h ARG 230 Ca -0.40 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 59.55 1vhd h ARG 230 Cb 1.19 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 1vhd h ARG 230 CO 0.96 0.63 0.50 1.49 -1.07 0.00 0.00 179.97 182.47 1vhd h GLU 231 N 0.73 0.99 -0.44 0.04 4.81 -1.98 -0.37 114.58 118.36 1vhd h GLU 231 Ca 0.19 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1vhd h GLU 231 Cb 0.09 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1vhd h GLU 231 CO -0.03 0.66 -0.05 0.00 -0.73 0.00 0.00 179.01 178.86 1vhd h ALA 232 N 1.28 1.08 -0.24 2.92 0.00 -1.84 -1.93 119.26 120.53 1vhd h ALA 232 Ca 0.28 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1vhd h ALA 232 Cb -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1vhd h ALA 232 CO -0.06 0.57 -0.33 0.00 0.00 0.00 0.00 179.25 179.43 1vhd h ARG 233 N 0.69 0.50 -0.50 0.00 3.08 -0.58 -2.72 114.38 114.85 1vhd h ARG 233 Ca 0.13 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1vhd h ARG 233 Cb 0.51 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1vhd h ARG 233 CO 0.03 0.77 0.21 -0.22 -1.07 0.00 0.00 179.97 179.69 1vhd h LYS 234 N 0.43 0.75 -1.81 0.04 3.64 -0.70 -1.61 116.57 117.31 1vhd h LYS 234 Ca 0.05 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1vhd h LYS 234 Cb 0.78 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1vhd h LYS 234 CO 0.06 0.66 0.00 1.63 -2.27 0.00 0.00 179.45 179.53 1vhd n LYS 235 N -4.56 0.22 0.00 1.90 4.76 -0.76 -2.10 118.16 117.62 1vhd n LYS 235 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1vhd n LYS 235 Cb 0.15 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1vhd n LYS 235 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1vhd n PHE 237 N 1.04 0.00 -0.02 2.13 7.35 -0.61 -1.00 117.46 126.35 1vhd n PHE 237 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 1vhd n PHE 237 Cb 0.11 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.88 1vhd n PHE 237 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1vhd h VAL 238 N 0.00 1.18 -0.77 -2.13 2.07 -1.70 -2.54 116.25 112.36 1vhd h VAL 238 Ca 0.00 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1vhd h VAL 238 Cb 0.00 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1vhd h VAL 238 CO 0.00 0.16 0.44 0.00 0.02 0.00 0.00 177.57 178.18 1vhd h ALA 239 N 0.84 1.32 -0.42 1.67 0.00 -1.36 -1.11 119.26 120.20 1vhd h ALA 239 Ca 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1vhd h ALA 239 Cb 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1vhd h ALA 239 CO -0.00 0.57 0.02 0.66 0.00 0.00 0.00 179.25 180.49 1vhd h SER 240 N 1.07 0.62 -0.10 0.00 4.64 -1.80 0.54 113.55 118.52 1vhd h SER 240 Ca 0.28 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 1vhd h SER 240 Cb 0.00 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1vhd h SER 240 CO -0.05 0.68 -0.12 0.00 -0.87 0.00 0.00 176.83 176.48 1vhd h LEU 242 N -0.17 0.70 -1.30 0.00 3.38 -0.95 -1.76 115.31 115.21 1vhd h LEU 242 Ca 0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1vhd h LEU 242 Cb 0.65 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1vhd h LEU 242 CO 0.03 0.47 -0.09 0.00 0.09 0.00 0.00 178.44 178.93 1vhd h ALA 243 N 1.34 1.43 0.00 1.53 0.00 -0.84 -1.41 119.26 121.31 1vhd h ALA 243 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vhd h ALA 243 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1vhd h ALA 243 CO -0.14 0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1vhd n GLY 244 N -0.84 0.78 3.02 0.00 0.00 -0.66 -1.72 105.19 105.77 1vhd n GLY 244 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vhd n GLY 244 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vhd n VAL 246 N 0.85 0.00 0.32 1.61 0.31 -0.53 -1.34 118.33 119.55 1vhd n VAL 246 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1vhd n VAL 246 Cb 0.19 0.00 0.60 0.00 -0.91 0.00 0.00 33.84 33.72 1vhd n VAL 246 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1vhd h ILE 247 N 0.00 0.00 0.00 2.52 3.07 -1.59 0.63 117.51 122.13 1vhd h ILE 247 Ca 0.00 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.20 1vhd h ILE 247 Cb 0.00 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 37.49 1vhd h ILE 247 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.10 1vhd h ALA 248 N 2.14 1.00 0.00 0.16 0.00 -1.48 0.22 119.26 121.30 1vhd h ALA 248 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 1vhd h ALA 248 Cb 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1vhd h ALA 248 CO 0.00 0.00 -2.44 1.04 0.00 0.00 0.00 179.25 177.85 1vhd n GLN 249 N -2.83 0.66 -0.08 0.00 1.13 0.15 -4.77 117.38 111.64 1vhd n GLN 249 Ca 0.00 0.11 -0.07 0.00 -1.94 0.00 0.00 57.00 55.10 1vhd n GLN 249 Cb 0.24 -1.51 -0.14 0.00 0.11 0.00 0.00 30.24 28.94 1vhd n GLN 249 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1vhd n THR 250 N -3.13 1.10 -1.16 5.09 -2.24 -0.80 -4.96 114.28 108.18 1vhd n THR 250 Ca -0.42 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1vhd n THR 250 Cb 1.02 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1vhd n THR 250 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vhd n GLY 251 N 1.87 -2.37 2.58 3.38 0.00 0.75 -4.72 105.19 106.67 1vhd n GLY 251 Ca -0.26 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 1vhd n GLY 251 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vhd n THR 252 N -0.59 0.00 -3.84 2.61 -2.24 -1.26 -4.54 114.28 104.42 1vhd n THR 252 Ca 0.00 -1.44 -0.03 0.00 -2.27 0.00 0.00 64.05 60.31 1vhd n THR 252 Cb 0.00 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1vhd n THR 252 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vhd n THR 253 N -1.45 0.00 0.16 4.28 -2.24 -1.26 -4.85 114.28 108.92 1vhd n THR 253 Ca 0.01 -0.24 0.17 0.00 -2.27 0.00 0.00 64.05 61.72 1vhd n THR 253 Cb 0.42 -0.17 0.77 0.00 -2.10 0.00 0.00 70.33 69.25 1vhd n THR 253 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1vhd h LEU 254 N 0.00 0.00 -0.37 3.22 5.85 -1.93 -2.13 115.31 119.95 1vhd h LEU 254 Ca -0.04 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1vhd h LEU 254 Cb 0.13 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1vhd h LEU 254 CO 0.06 0.00 0.13 0.00 -0.34 0.00 0.00 178.44 178.30 1vhd h ALA 255 N 1.77 0.43 -0.46 1.25 0.00 -1.94 0.11 119.26 120.43 1vhd h ALA 255 Ca 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1vhd h ALA 255 Cb 0.58 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1vhd h ALA 255 CO -0.00 -0.26 0.20 0.45 0.00 0.00 0.00 179.25 179.65 1vhd h HIS 256 N 0.29 0.68 -0.50 0.00 3.86 -1.72 -2.65 115.15 115.11 1vhd h HIS 256 Ca 0.17 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1vhd h HIS 256 Cb 0.14 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1vhd h HIS 256 CO -0.14 0.56 0.32 0.00 0.86 0.00 0.00 177.93 179.53 1vhd h ALA 257 N 1.05 0.64 0.00 2.45 0.00 -1.35 -2.55 119.26 119.49 1vhd h ALA 257 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1vhd h ALA 257 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1vhd h ALA 257 CO -0.02 0.05 -0.21 -0.07 0.00 0.00 0.00 179.25 179.00 1vhd h LEU 258 N 0.64 0.00 -0.65 0.00 3.38 -0.70 -2.77 115.31 115.22 1vhd h LEU 258 Ca 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1vhd h LEU 258 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1vhd h LEU 258 CO -0.06 0.21 -0.25 1.23 0.09 0.00 0.00 178.44 179.66 1vhd h GLY 259 N 1.26 0.00 -0.07 0.83 0.00 -1.09 -3.36 103.07 100.64 1vhd h GLY 259 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.41 1vhd h GLY 259 CO 0.03 0.00 -0.23 -0.97 0.00 0.00 0.00 176.54 175.36 1vhd h TYR 260 N 0.00 -0.61 0.00 5.60 0.99 -1.39 -1.55 116.97 120.01 1vhd h TYR 260 Ca -0.00 0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 1vhd h TYR 260 Cb 0.95 0.33 -0.00 0.00 1.00 0.00 0.00 36.73 39.01 1vhd h TYR 260 CO 0.00 -0.31 -0.15 -1.00 -0.00 0.00 0.00 178.16 176.70 1vhd h PRO 261 N -0.16 0.00 -0.35 4.88 0.13 -1.78 -0.65 132.00 134.07 1vhd h PRO 261 Ca 0.20 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.28 1vhd h PRO 261 Cb 0.47 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1vhd h PRO 261 CO -0.51 0.15 0.01 -0.07 -0.23 0.00 0.00 178.00 177.35 1vhd h LEU 262 N 0.00 0.51 0.01 1.56 3.38 -1.50 0.23 115.31 119.50 1vhd h LEU 262 Ca -0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1vhd h LEU 262 Cb 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1vhd h LEU 262 CO 0.02 0.57 -0.01 0.74 0.09 0.00 0.00 178.44 179.85 1vhd h THR 263 N 0.52 1.53 -0.00 0.22 2.02 -0.90 -1.63 112.91 114.67 1vhd h THR 263 Ca 0.11 -1.88 -0.14 0.00 0.77 0.00 0.00 66.41 65.27 1vhd h THR 263 Cb 0.32 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 1vhd h THR 263 CO 0.01 0.47 -0.64 0.71 0.37 0.00 0.00 175.52 176.44 1vhd h THR 264 N -0.86 1.46 0.00 3.16 1.35 -1.11 -2.58 112.91 114.32 1vhd h THR 264 Ca -0.00 -2.18 -0.04 0.00 -0.55 0.00 0.00 66.41 63.64 1vhd h THR 264 Cb 0.78 2.18 -0.01 0.00 -1.73 0.00 0.00 68.15 69.37 1vhd h THR 264 CO 0.00 0.63 -1.67 -0.62 -0.25 0.00 0.00 175.52 173.61 1vhd n GLU 265 N -3.78 0.65 0.00 4.72 1.02 0.81 -4.65 120.64 119.41 1vhd n GLU 265 Ca -0.01 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1vhd n GLU 265 Cb 0.63 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 1vhd n GLU 265 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vhd n LYS 266 N -2.06 2.27 -1.65 3.49 4.76 -0.68 -5.01 118.16 119.28 1vhd n LYS 266 Ca -0.05 -1.30 -0.19 0.00 -2.87 0.00 0.00 58.31 53.90 1vhd n LYS 266 Cb 0.45 -0.98 -0.07 0.00 -1.84 0.00 0.00 35.03 32.59 1vhd n LYS 266 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vhd n GLY 267 N -0.40 1.54 3.70 0.72 0.00 -0.97 -4.92 105.19 104.86 1vhd n GLY 267 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1vhd n GLY 267 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vhd s ILE 268 N -2.73 4.89 0.39 -0.61 -1.09 -0.79 -4.96 121.20 116.31 1vhd s ILE 268 Ca 0.00 1.85 -0.26 0.00 -2.23 0.00 0.00 60.65 60.01 1vhd s ILE 268 Cb 0.00 -4.23 -0.11 0.00 -1.58 0.00 0.00 42.46 36.54 1vhd s ILE 268 CO 0.00 0.13 1.15 0.29 -1.23 0.00 0.00 174.94 175.28 1vhd n LYS 269 N 4.30 1.69 -0.28 2.79 5.02 -1.26 -3.78 118.16 126.63 1vhd n LYS 269 Ca 0.05 0.60 -0.05 0.00 -2.02 0.00 0.00 58.31 56.89 1vhd n LYS 269 Cb 0.50 -2.18 0.01 0.00 -0.02 0.00 0.00 35.03 33.34 1vhd n LYS 269 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1vhd h HIS 270 N 1.98 -1.11 -0.55 2.13 -0.00 -1.94 -0.38 115.15 115.28 1vhd h HIS 270 Ca -0.45 0.09 0.02 0.00 -0.00 0.00 0.00 60.37 60.03 1vhd h HIS 270 Cb 1.31 0.59 -0.04 0.00 -0.00 0.00 0.00 27.41 29.28 1vhd h HIS 270 CO 0.47 -0.40 0.33 0.78 -0.00 0.00 0.00 177.93 179.11 1vhd h GLY 271 N -0.11 0.77 1.19 5.26 0.00 -1.90 -1.63 103.07 106.66 1vhd h GLY 271 Ca 0.26 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 1vhd h GLY 271 CO -0.81 0.21 -0.05 0.50 0.00 0.00 0.00 176.54 176.39 1vhd h LYS 272 N 0.66 0.96 -0.28 4.80 1.57 -1.52 -0.14 116.57 122.62 1vhd h LYS 272 Ca 0.22 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1vhd h LYS 272 Cb 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1vhd h LYS 272 CO -0.09 0.98 0.15 0.00 -0.57 0.00 0.00 179.45 179.91 1vhd h ALA 273 N 1.06 0.35 -0.16 3.86 0.00 -0.76 -2.98 119.26 120.63 1vhd h ALA 273 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1vhd h ALA 273 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1vhd h ALA 273 CO 0.03 -0.12 0.02 1.15 0.00 0.00 0.00 179.25 180.34 1vhd h THR 274 N 0.33 1.23 0.00 0.00 2.02 -1.20 -3.22 112.91 112.07 1vhd h THR 274 Ca 0.10 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1vhd h THR 274 Cb 0.06 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1vhd h THR 274 CO -0.02 0.23 0.00 0.61 0.37 0.00 0.00 175.52 176.71 1vhd n GLY 275 N -0.39 0.15 0.00 2.16 0.00 -0.08 -1.12 105.19 105.91 1vhd n GLY 275 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1vhd n GLY 275 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1vhd n VAL 277 N 1.27 0.00 -0.22 1.61 0.24 -1.22 -4.23 118.33 115.78 1vhd n VAL 277 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1vhd n VAL 277 Cb 0.00 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.43 1vhd n VAL 277 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1vhd h LEU 278 N 0.00 -0.68 -1.91 1.34 5.85 -1.42 -0.84 115.31 117.65 1vhd h LEU 278 Ca 0.00 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1vhd h LEU 278 Cb 0.00 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1vhd h LEU 278 CO 0.00 -0.23 0.02 -0.65 -0.34 0.00 0.00 178.44 177.24 1vhd h PRO 279 N -0.02 0.07 0.00 5.25 0.11 -1.87 -2.31 132.00 133.23 1vhd h PRO 279 Ca 0.31 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.24 1vhd h PRO 279 Cb 0.50 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.56 1vhd h PRO 279 CO -0.68 0.06 -0.95 0.74 -0.21 0.00 0.00 178.00 176.96 1vhd h PHE 280 N 0.07 0.00 0.00 0.65 -1.00 -1.56 -2.80 116.94 112.30 1vhd h PHE 280 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1vhd h PHE 280 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1vhd h PHE 280 CO 0.00 0.75 0.00 0.28 -1.61 0.00 0.00 178.31 177.73 1vhd n VAL 281 N -3.20 0.77 0.00 -0.55 0.31 -0.65 -3.52 118.33 111.49 1vhd n VAL 281 Ca -0.02 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1vhd n VAL 281 Cb 0.86 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 1vhd n VAL 281 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vhd n GLU 283 N 1.31 0.00 -0.45 5.55 -0.58 -1.06 -4.74 120.64 120.68 1vhd n GLU 283 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1vhd n GLU 283 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.12 1vhd n GLU 283 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1vhd n VAL 284 N 0.00 1.89 0.00 2.62 0.31 -1.23 -4.35 118.33 117.57 1vhd n VAL 284 Ca 0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1vhd n VAL 284 Cb 0.00 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1vhd n VAL 284 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1vhd n LYS 286 N 1.27 0.00 0.27 5.55 5.02 -1.26 -4.36 118.16 124.65 1vhd n LYS 286 Ca 0.02 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.46 1vhd n LYS 286 Cb 0.51 -1.33 0.74 0.00 -0.02 0.00 0.00 35.03 34.93 1vhd n LYS 286 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1vhd h GLU 287 N 0.00 0.00 0.00 1.97 5.08 -1.94 -3.05 114.58 116.64 1vhd h GLU 287 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1vhd h GLU 287 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1vhd h GLU 287 CO 0.00 0.09 -1.45 -1.91 -1.00 0.00 0.00 179.01 174.74 1vhd n GLU 288 N -3.39 0.20 -3.09 2.33 2.13 -1.26 -4.87 120.64 112.69 1vhd n GLU 288 Ca -0.01 0.05 -0.23 0.00 0.66 0.00 0.00 57.16 57.63 1vhd n GLU 288 Cb 0.26 -1.15 -0.04 0.00 0.27 0.00 0.00 31.44 30.79 1vhd n GLU 288 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1vhd n ILE 289 N -2.75 1.43 -0.08 6.31 -5.35 -1.25 -4.94 119.36 112.72 1vhd n ILE 289 Ca -0.14 -5.05 0.04 0.00 -0.27 0.00 0.00 62.75 57.33 1vhd n ILE 289 Cb 0.65 -0.98 0.38 0.00 -1.74 0.00 0.00 39.64 37.95 1vhd n ILE 289 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1vhd h PRO 290 N 3.12 0.65 -0.12 6.28 0.13 -1.87 -2.01 132.00 138.19 1vhd h PRO 290 Ca 0.12 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1vhd h PRO 290 Cb 0.73 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1vhd h PRO 290 CO 0.66 0.43 0.06 0.93 -0.23 0.00 0.00 178.00 179.86 1vhd h GLU 291 N 0.67 0.17 -0.46 0.86 3.07 -1.92 0.21 114.58 117.18 1vhd h GLU 291 Ca 0.21 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.96 1vhd h GLU 291 Cb 0.03 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1vhd h GLU 291 CO -0.05 0.19 -0.09 0.87 -1.40 0.00 0.00 179.01 178.53 1vhd h LYS 292 N 0.09 0.82 -0.69 2.33 1.57 -1.91 -1.18 116.57 117.61 1vhd h LYS 292 Ca 0.04 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 1vhd h LYS 292 Cb 0.08 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1vhd h LYS 292 CO -0.01 0.88 0.26 0.28 -0.57 0.00 0.00 179.45 180.29 1vhd h VAL 293 N 0.74 1.25 -0.81 0.50 2.07 -1.18 -1.52 116.25 117.30 1vhd h VAL 293 Ca 0.13 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1vhd h VAL 293 Cb 0.58 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1vhd h VAL 293 CO 0.04 0.31 0.40 -0.78 0.02 0.00 0.00 177.57 177.56 1vhd h ASP 294 N 0.98 1.05 -0.57 0.57 1.82 -0.54 -1.57 116.42 118.16 1vhd h ASP 294 Ca 0.23 -0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1vhd h ASP 294 Cb 0.23 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 39.95 1vhd h ASP 294 CO -0.02 0.87 0.30 0.74 -1.61 0.00 0.00 179.24 179.53 1vhd h THR 295 N 1.15 1.19 -0.12 2.25 2.02 -0.62 -0.28 112.91 118.50 1vhd h THR 295 Ca 0.28 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1vhd h THR 295 Cb 0.09 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1vhd h THR 295 CO -0.04 0.21 0.06 0.58 0.37 0.00 0.00 175.52 176.70 1vhd h VAL 296 N 0.76 1.13 -0.83 3.16 2.07 -0.89 -1.18 116.25 120.46 1vhd h VAL 296 Ca 0.20 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1vhd h VAL 296 Cb 0.07 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1vhd h VAL 296 CO -0.03 0.11 0.55 0.78 0.02 0.00 0.00 177.57 179.01 1vhd h ASN 297 N 0.06 0.96 -0.44 0.57 2.35 -1.06 -2.40 115.58 115.61 1vhd h ASN 297 Ca 0.04 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1vhd h ASN 297 Cb 0.13 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1vhd h ASN 297 CO -0.00 0.69 0.03 -0.74 -1.65 0.00 0.00 177.43 175.76 1vhd h HIS 298 N 1.13 0.82 -0.71 1.19 2.76 -0.79 0.24 115.15 119.79 1vhd h HIS 298 Ca 0.30 -0.13 0.03 0.00 -2.20 0.00 0.00 60.37 58.37 1vhd h HIS 298 Cb -0.13 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.57 1vhd h HIS 298 CO 0.00 0.79 0.47 0.82 -1.30 0.00 0.00 177.93 178.71 1vhd h ILE 299 N 0.61 1.13 -0.28 6.26 2.04 -0.75 -2.11 117.51 124.41 1vhd h ILE 299 Ca 0.13 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1vhd h ILE 299 Cb 0.44 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1vhd h ILE 299 CO 0.02 0.16 0.07 0.49 0.00 0.00 0.00 178.15 178.89 1vhd n PHE 300 N -4.45 0.94 -0.16 1.37 3.01 -0.95 -4.84 117.46 112.39 1vhd n PHE 300 Ca 0.08 -0.50 0.00 0.00 1.01 0.00 0.00 57.45 58.05 1vhd n PHE 300 Cb 0.10 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 1vhd n PHE 300 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1vhd n GLY 301 N 0.14 0.58 0.00 1.37 0.00 -0.79 -4.26 105.19 102.23 1vhd n GLY 301 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1vhd n GLY 301 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhd n GLY 302 N -2.00 0.83 3.25 -0.02 0.00 0.83 -4.98 105.19 103.11 1vhd n GLY 302 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1vhd n GLY 302 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vhd s SER 303 N -0.67 -0.56 0.23 1.61 0.15 -1.06 -4.53 113.70 108.88 1vhd s SER 303 Ca 0.00 0.93 -0.04 0.00 0.70 0.00 0.00 55.95 57.54 1vhd s SER 303 Cb 0.00 1.67 0.24 0.00 -1.71 0.00 0.00 66.02 66.22 1vhd s SER 303 CO 0.00 -0.25 1.72 0.25 1.20 0.00 0.00 173.24 176.16 1vhd h LEU 304 N 8.10 0.86 -0.20 3.45 5.85 -1.82 -1.34 115.31 130.21 1vhd h LEU 304 Ca -0.18 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1vhd h LEU 304 Cb 1.13 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1vhd h LEU 304 CO 0.18 0.92 -0.02 0.25 -0.34 0.00 0.00 178.44 179.43 1vhd h LEU 305 N 0.82 -0.12 -0.74 2.25 5.85 -1.95 -0.02 115.31 121.39 1vhd h LEU 305 Ca 0.15 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1vhd h LEU 305 Cb 0.50 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1vhd h LEU 305 CO 0.02 -0.04 0.34 0.50 -0.34 0.00 0.00 178.44 178.93 1vhd h LYS 306 N 0.04 1.08 -0.44 1.25 3.64 -1.92 -0.10 116.57 120.12 1vhd h LYS 306 Ca 0.09 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1vhd h LYS 306 Cb 0.13 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1vhd h LYS 306 CO -0.18 0.86 0.19 0.35 -2.27 0.00 0.00 179.45 178.41 1vhd h PHE 307 N 1.05 0.35 -0.47 1.91 3.57 -0.60 0.07 116.94 122.83 1vhd h PHE 307 Ca 0.25 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.65 1vhd h PHE 307 Cb 0.15 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1vhd h PHE 307 CO 0.01 0.16 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.99 1vhd h LEU 308 N 0.39 0.94 -0.70 0.59 3.38 -0.66 -2.83 115.31 116.41 1vhd h LEU 308 Ca 0.20 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1vhd h LEU 308 Cb 0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1vhd h LEU 308 CO -0.16 1.10 0.36 0.11 0.09 0.00 0.00 178.44 179.94 1vhd h LYS 309 N 0.81 1.00 0.00 1.13 1.57 -0.47 -1.90 116.57 118.70 1vhd h LYS 309 Ca 0.11 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1vhd h LYS 309 Cb 0.74 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1vhd h LYS 309 CO 0.06 0.77 -0.07 0.93 -0.57 0.00 0.00 179.45 180.56 1vhd h GLU 310 N 0.97 0.00 -0.00 3.15 5.08 -0.86 0.29 114.58 123.21 1vhd h GLU 310 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1vhd h GLU 310 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1vhd h GLU 310 CO -0.04 0.07 -0.00 1.28 -1.00 0.00 0.00 179.01 179.33 1vhd n LEU 311 N -3.65 0.00 -1.09 1.33 4.77 -0.74 -4.89 117.00 112.73 1vhd n LEU 311 Ca -0.02 0.40 -0.09 0.00 -0.03 0.00 0.00 56.01 56.27 1vhd n LEU 311 Cb 0.18 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1vhd n LEU 311 CO 0.29 0.00 -0.07 0.61 -1.33 0.00 0.00 177.39 176.88 1vhd n GLY 312 N 1.40 0.08 0.23 -0.72 0.00 0.09 -4.95 105.19 101.32 1vhd n GLY 312 Ca 0.10 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 1vhd n GLY 312 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vhd h LEU 313 N -0.19 0.73 -9.75 0.99 5.85 -1.66 -3.45 115.31 107.83 1vhd h LEU 313 Ca -0.20 -0.31 -0.53 0.00 0.84 0.00 0.00 57.88 57.68 1vhd h LEU 313 Cb 1.15 -0.20 0.06 0.00 0.37 0.00 0.00 40.66 42.04 1vhd h LEU 313 CO 0.23 0.86 0.75 -0.31 -0.34 0.00 0.00 178.44 179.63 1vhd s TYR 314 N -5.01 3.04 0.21 1.25 1.51 -1.26 -5.02 117.35 112.06 1vhd s TYR 314 Ca -0.13 1.06 0.10 0.00 -1.01 0.00 0.00 57.07 57.09 1vhd s TYR 314 Cb 0.10 -3.80 -0.04 0.00 -0.11 0.00 0.00 41.96 38.11 1vhd s TYR 314 CO 0.80 -2.58 -0.15 -1.21 -1.11 0.00 0.00 175.55 171.30 1vhd s GLU 315 N -0.41 1.84 -0.15 -0.62 2.02 -1.26 -4.88 118.70 115.23 1vhd s GLU 315 Ca 0.59 -1.47 -0.24 0.00 0.02 0.00 0.00 54.97 53.87 1vhd s GLU 315 Cb -0.41 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.81 1vhd s GLU 315 CO 0.43 0.39 0.78 0.21 0.02 0.00 0.00 175.26 177.10 1vhd s LYS 316 N -3.01 4.31 -0.07 1.61 2.20 -1.26 -4.55 119.74 118.98 1vhd s LYS 316 Ca 0.25 0.94 0.03 0.00 -0.36 0.00 0.00 55.97 56.83 1vhd s LYS 316 Cb -0.07 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1vhd s LYS 316 CO 0.14 -0.24 -0.16 0.08 -0.36 0.00 0.00 175.35 174.81 1vhd s VAL 317 N 1.86 1.40 -0.22 4.02 1.01 -1.26 -5.11 120.40 122.10 1vhd s VAL 317 Ca 0.37 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 1vhd s VAL 317 Cb -0.17 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 1vhd s VAL 317 CO 0.13 0.41 0.92 0.00 0.00 0.00 0.00 175.10 176.56 1vhd s ALA 318 N 0.44 3.63 -0.04 5.51 0.00 -1.26 -5.02 121.76 125.02 1vhd s ALA 318 Ca -0.13 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 1vhd s ALA 318 Cb -0.15 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1vhd s ALA 318 CO 0.04 -0.92 0.02 0.08 0.00 0.00 0.00 175.76 174.99 1vhd s VAL 319 N 2.84 0.10 0.59 0.00 1.01 -1.26 -5.05 120.40 118.62 1vhd s VAL 319 Ca 0.39 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 1vhd s VAL 319 Cb -0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 1vhd s VAL 319 CO 0.08 0.18 0.91 -0.94 0.00 0.00 0.00 175.10 175.32 1vhd s SER 320 N 1.63 5.71 0.30 3.32 1.04 -1.26 -4.90 113.70 119.54 1vhd s SER 320 Ca -0.01 0.82 -0.00 0.00 0.48 0.00 0.00 55.95 57.24 1vhd s SER 320 Cb -0.13 -1.85 0.47 0.00 0.10 0.00 0.00 66.02 64.62 1vhd s SER 320 CO -0.03 -1.01 1.88 -1.28 0.98 0.00 0.00 173.24 173.79 1vhd h SER 321 N -0.17 0.75 -0.52 7.02 0.87 -2.01 -0.64 113.55 118.86 1vhd h SER 321 Ca -0.45 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1vhd h SER 321 Cb 1.24 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1vhd h SER 321 CO 0.61 0.69 0.32 -0.33 -0.53 0.00 0.00 176.83 177.59 1vhd h GLU 322 N 0.81 0.70 -0.05 2.24 3.07 -2.00 -0.92 114.58 118.44 1vhd h GLU 322 Ca 0.19 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1vhd h GLU 322 Cb 0.17 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1vhd h GLU 322 CO -0.02 0.50 -0.00 0.93 -1.40 0.00 0.00 179.01 179.02 1vhd h GLU 323 N 0.70 0.10 -0.54 2.33 5.08 -1.79 -2.59 114.58 117.87 1vhd h GLU 323 Ca 0.19 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1vhd h GLU 323 Cb -0.03 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 1vhd h GLU 323 CO -0.04 0.38 0.16 1.25 -1.00 0.00 0.00 179.01 179.76 1vhd h LEU 324 N -0.20 0.11 -1.37 1.33 5.85 -0.95 -0.57 115.31 119.51 1vhd h LEU 324 Ca 0.02 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1vhd h LEU 324 Cb 0.34 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1vhd h LEU 324 CO 0.00 0.08 0.06 -0.33 -0.34 0.00 0.00 178.44 177.91 1vhd h GLU 325 N 0.31 0.48 -0.28 1.25 4.39 -1.14 0.41 114.58 120.00 1vhd h GLU 325 Ca 0.27 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 1vhd h GLU 325 Cb 0.34 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1vhd h GLU 325 CO -0.31 0.46 -0.05 -0.22 -1.16 0.00 0.00 179.01 177.73 1vhd h LYS 326 N 0.47 0.53 -0.62 2.33 3.64 -0.81 -1.78 116.57 120.33 1vhd h LYS 326 Ca 0.11 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1vhd h LYS 326 Cb 0.22 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1vhd h LYS 326 CO -0.00 0.73 0.08 -1.49 -2.27 0.00 0.00 179.45 176.50 1vhd h TRP 327 N 0.30 1.09 -0.47 1.91 6.55 -0.63 -1.94 115.95 122.75 1vhd h TRP 327 Ca 0.07 -0.15 -0.02 0.00 0.95 0.00 0.00 58.89 59.74 1vhd h TRP 327 Cb 0.52 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.50 1vhd h TRP 327 CO 0.05 0.92 0.21 0.28 -1.05 0.00 0.00 178.44 178.85 1vhd h VAL 328 N 0.96 1.20 -0.50 1.49 2.07 -0.84 -0.02 116.25 120.60 1vhd h VAL 328 Ca 0.19 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1vhd h VAL 328 Cb 0.44 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1vhd h VAL 328 CO 0.01 0.22 0.30 -0.08 0.02 0.00 0.00 177.57 178.04 1vhd h GLU 329 N 0.62 0.69 -0.49 1.57 4.22 -1.10 -1.33 114.58 118.75 1vhd h GLU 329 Ca 0.16 -0.07 -0.12 0.00 0.08 0.00 0.00 59.36 59.42 1vhd h GLU 329 Cb 0.15 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1vhd h GLU 329 CO -0.02 0.51 -0.15 0.87 -2.18 0.00 0.00 179.01 178.04 1vhd h LYS 330 N 0.67 0.97 -0.42 1.92 1.57 -1.17 -2.97 116.57 117.15 1vhd h LYS 330 Ca 0.18 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1vhd h LYS 330 Cb 0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1vhd h LYS 330 CO -0.03 1.06 0.07 0.78 -0.57 0.00 0.00 179.45 180.76 1vhd h GLY 331 N 0.83 0.68 2.00 3.86 0.00 -0.75 -1.76 103.07 107.92 1vhd h GLY 331 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1vhd h GLY 331 CO 0.06 0.36 0.00 1.48 0.00 0.00 0.00 176.54 178.43 1vhd h SER 332 N 0.61 0.00 -0.31 0.19 4.64 -1.08 -1.94 113.55 115.66 1vhd h SER 332 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1vhd h SER 332 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1vhd h SER 332 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1vhd n ARG 333 N -2.36 2.85 -1.99 4.77 1.74 -0.68 -5.03 116.66 115.96 1vhd n ARG 333 Ca -0.00 -1.99 -0.41 0.00 -0.77 0.00 0.00 57.85 54.68 1vhd n ARG 333 Cb 0.12 -1.24 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 1vhd n ARG 333 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vhd s ALA 334 N -1.00 3.59 0.37 7.54 0.00 -0.73 -4.88 121.76 126.65 1vhd s ALA 334 Ca 0.21 1.37 0.25 0.00 0.00 0.00 0.00 51.96 53.79 1vhd s ALA 334 Cb 0.11 -3.55 1.30 0.00 0.00 0.00 0.00 23.12 20.98 1vhd s ALA 334 CO 0.14 -0.78 2.01 0.87 0.00 0.00 0.00 175.76 178.01 1vhd h LYS 335 N 4.24 0.00 0.00 0.00 1.57 -1.93 -2.24 116.57 118.21 1vhd h LYS 335 Ca -0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1vhd h LYS 335 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1vhd h LYS 335 CO 0.72 0.16 -0.05 0.45 -0.57 0.00 0.00 179.45 180.16 1vhd h HIS 336 N 0.00 0.00 -0.82 -1.35 3.86 -1.89 -3.01 115.15 111.93 1vhd h HIS 336 Ca -0.00 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1vhd h HIS 336 Cb 0.42 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.81 1vhd h HIS 336 CO 0.00 0.05 0.46 1.25 0.86 0.00 0.00 177.93 180.55 1vhd h LEU 337 N 0.00 0.65 -1.96 2.43 5.85 -1.75 -1.53 115.31 119.00 1vhd h LEU 337 Ca -0.00 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1vhd h LEU 337 Cb 0.28 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1vhd h LEU 337 CO 0.01 0.36 0.22 0.11 -0.34 0.00 0.00 178.44 178.80 1vhd h LYS 338 N 0.76 0.05 -0.61 1.25 6.56 -1.74 -1.96 116.57 120.87 1vhd h LYS 338 Ca 0.40 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.99 1vhd h LYS 338 Cb 0.39 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1vhd h LYS 338 CO -0.26 0.03 0.00 0.09 -2.06 0.00 0.00 179.45 177.25 1vhd n ASN 339 N -4.46 4.14 -4.38 0.86 3.02 -0.60 -4.91 115.26 108.94 1vhd n ASN 339 Ca 0.04 -2.25 -0.36 0.00 -0.03 0.00 0.00 54.58 51.98 1vhd n ASN 339 Cb 0.35 -0.49 -0.13 0.00 -0.61 0.00 0.00 39.78 38.90 1vhd n ASN 339 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1vhd s THR 340 N -1.46 3.95 0.55 3.41 2.01 -0.74 -1.51 115.64 121.85 1vhd s THR 340 Ca 0.45 -0.40 -0.21 0.00 0.31 0.00 0.00 61.69 61.84 1vhd s THR 340 Cb 0.27 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 1vhd s THR 340 CO 0.25 0.29 1.31 -2.65 -0.69 0.00 0.00 174.62 173.13 1vhd n PRO 341 N 4.87 1.58 0.00 4.92 -0.02 -1.26 -4.81 135.00 140.28 1vhd n PRO 341 Ca -0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1vhd n PRO 341 Cb 0.50 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1vhd n PRO 341 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vhd n GLY 342 N 0.83 1.64 3.30 -1.23 0.00 -1.26 -4.84 105.19 103.63 1vhd n GLY 342 Ca 0.11 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 1vhd n GLY 342 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vhd s THR 343 N -2.03 3.51 -0.52 2.61 2.01 -1.26 -5.06 115.64 114.90 1vhd s THR 343 Ca 0.00 -0.67 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 1vhd s THR 343 Cb 0.00 -2.72 0.13 0.00 0.01 0.00 0.00 72.50 69.93 1vhd s THR 343 CO 0.00 0.25 0.39 -0.36 -0.69 0.00 0.00 174.62 174.21 1vhd s PHE 344 N 1.46 3.47 0.58 4.92 0.40 -1.26 -4.99 117.98 122.56 1vhd s PHE 344 Ca 0.03 -2.06 -0.06 0.00 -0.60 0.00 0.00 56.93 54.25 1vhd s PHE 344 Cb -0.16 -3.47 0.01 0.00 0.51 0.00 0.00 43.02 39.91 1vhd s PHE 344 CO -0.01 -0.97 0.89 0.95 0.70 0.00 0.00 175.22 176.78 1vhd s THR 345 N 1.01 3.67 0.32 0.64 -4.23 -1.26 -4.90 115.64 110.89 1vhd s THR 345 Ca 0.09 -0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1vhd s THR 345 Cb -0.23 -3.45 0.30 0.00 1.34 0.00 0.00 72.50 70.45 1vhd s THR 345 CO -0.02 -0.46 1.87 -0.65 -0.54 0.00 0.00 174.62 174.82 1vhd h PRO 346 N -0.15 0.86 -0.56 3.99 0.11 -1.98 -1.43 132.00 132.85 1vhd h PRO 346 Ca -0.45 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1vhd h PRO 346 Cb 1.26 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1vhd h PRO 346 CO 0.60 0.57 0.10 1.49 -0.21 0.00 0.00 178.00 180.55 1vhd h GLU 347 N 0.88 0.88 -0.40 1.05 4.57 -1.98 0.19 114.58 119.78 1vhd h GLU 347 Ca 0.44 -0.20 -0.10 0.00 -1.18 0.00 0.00 59.36 58.33 1vhd h GLU 347 Cb 0.49 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1vhd h GLU 347 CO -0.21 0.81 -0.15 0.87 -1.18 0.00 0.00 179.01 179.15 1vhd h LYS 348 N 0.84 0.73 -0.29 1.92 1.57 -1.65 0.82 116.57 120.50 1vhd h LYS 348 Ca 0.18 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 1vhd h LYS 348 Cb 0.36 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1vhd h LYS 348 CO 0.01 0.84 -0.42 0.82 -0.57 0.00 0.00 179.45 180.13 1vhd h ILE 349 N 0.66 1.29 -0.73 1.86 2.04 -0.95 -1.12 117.51 120.57 1vhd h ILE 349 Ca 0.11 -1.61 0.01 0.00 1.00 0.00 0.00 64.86 64.37 1vhd h ILE 349 Cb 0.63 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 1vhd h ILE 349 CO 0.04 0.52 0.48 -0.09 0.00 0.00 0.00 178.15 179.10 1vhd h ARG 350 N 0.56 0.94 -0.39 2.37 2.43 -0.34 -2.16 114.38 117.79 1vhd h ARG 350 Ca 0.03 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1vhd h ARG 350 Cb 1.02 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1vhd h ARG 350 CO 0.10 0.62 -0.13 -0.97 -1.51 0.00 0.00 179.97 178.08 1vhd h ASN 351 N 0.97 0.69 -0.59 -3.80 -1.24 -0.66 -1.37 115.58 109.58 1vhd h ASN 351 Ca 0.27 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1vhd h ASN 351 Cb -0.09 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.75 1vhd h ASN 351 CO -0.07 0.84 0.37 0.40 -1.29 0.00 0.00 177.43 177.69 1vhd h ILE 352 N 0.63 1.16 -0.31 2.57 2.04 -0.61 0.64 117.51 123.64 1vhd h ILE 352 Ca 0.11 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 1vhd h ILE 352 Cb 0.59 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1vhd h ILE 352 CO 0.04 0.16 -0.02 1.88 0.00 0.00 0.00 178.15 180.22 1vhd h TYR 353 N 0.80 0.61 -1.01 1.37 0.05 -1.16 -1.28 116.97 116.36 1vhd h TYR 353 Ca 0.21 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 58.91 1vhd h TYR 353 Cb -0.05 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 37.47 1vhd h TYR 353 CO -0.03 0.70 0.66 0.00 -1.05 0.00 0.00 178.16 178.45 1vhd h ARG 354 N 0.35 1.27 -0.08 4.88 3.08 -0.86 0.60 114.38 123.61 1vhd h ARG 354 Ca 0.09 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1vhd h ARG 354 Cb 0.47 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1vhd h ARG 354 CO 0.02 0.84 -0.01 0.93 -1.07 0.00 0.00 179.97 180.68 1vhd h GLU 355 N 1.30 0.15 -0.56 0.04 4.39 -0.74 0.08 114.58 119.24 1vhd h GLU 355 Ca 0.39 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 1vhd h GLU 355 Cb -0.05 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1vhd h GLU 355 CO -0.11 0.44 0.34 0.00 -1.16 0.00 0.00 179.01 178.52 1vhd h ALA 356 N 0.70 0.72 0.00 3.43 0.00 -0.90 -2.47 119.26 120.74 1vhd h ALA 356 Ca 0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1vhd h ALA 356 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1vhd h ALA 356 CO 0.01 0.20 -0.37 -0.07 0.00 0.00 0.00 179.25 179.02 1vhd h LEU 357 N 0.76 0.00 -0.48 0.00 3.38 -0.89 -3.23 115.31 114.85 1vhd h LEU 357 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1vhd h LEU 357 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1vhd h LEU 357 CO -0.04 0.37 0.00 1.23 0.09 0.00 0.00 178.44 180.09 1vhd h GLY 358 N 2.44 0.00 0.88 0.83 0.00 -0.49 -3.31 103.07 103.42 1vhd h GLY 358 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1vhd h GLY 358 CO 0.05 0.00 0.06 -2.08 0.00 0.00 0.00 176.54 174.57 1vhd h VAL 359 N 0.00 0.97 -0.01 4.60 2.07 -1.55 -3.51 116.25 118.83 1vhd h VAL 359 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1vhd h VAL 359 Cb 0.64 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1vhd h VAL 359 CO 0.00 0.03 0.00 -0.62 0.02 0.00 0.00 177.57 177.00