#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c8m s GLU 2 N 0.00 4.47 0.48 2.12 2.12 -1.26 -0.73 118.70 125.89 2c8m s GLU 2 Ca 0.00 1.01 0.06 0.00 0.36 0.00 0.00 54.97 56.40 2c8m s GLU 2 Cb 0.00 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 2c8m s GLU 2 CO 0.00 0.30 0.27 0.20 -0.54 0.00 0.00 175.26 175.49 2c8m s GLY 3 N -0.10 2.44 -0.20 -1.50 0.00 0.84 -4.39 107.32 104.40 2c8m s GLY 3 Ca 0.37 -1.47 -0.06 0.00 0.00 0.00 0.00 44.72 43.57 2c8m s GLY 3 CO 0.22 -1.95 0.02 0.50 0.00 0.00 0.00 173.10 171.89 2c8m s ARG 4 N -4.08 3.68 -0.35 2.90 0.52 0.03 -1.97 118.95 119.68 2c8m s ARG 4 Ca 0.33 -0.49 -0.14 0.00 -0.52 0.00 0.00 55.73 54.92 2c8m s ARG 4 Cb 0.00 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.34 2c8m s ARG 4 CO 0.19 0.04 0.28 -1.17 0.02 0.00 0.00 175.30 174.66 2c8m s LEU 5 N 0.95 4.58 -0.33 2.53 2.96 0.36 -0.74 118.68 128.99 2c8m s LEU 5 Ca 0.02 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.42 2c8m s LEU 5 Cb -0.14 -2.19 0.03 0.00 0.50 0.00 0.00 46.19 44.39 2c8m s LEU 5 CO 0.02 -0.29 0.11 -0.76 -1.32 0.00 0.00 176.35 174.11 2c8m s LEU 6 N 1.79 4.23 -1.24 -0.68 1.43 0.16 -1.22 118.68 123.14 2c8m s LEU 6 Ca 0.07 -1.03 -0.07 0.00 -1.03 0.00 0.00 54.13 52.07 2c8m s LEU 6 Cb -0.17 -1.88 0.19 0.00 0.03 0.00 0.00 46.19 44.35 2c8m s LEU 6 CO 0.11 -0.30 1.90 0.18 0.23 0.00 0.00 176.35 178.47 2c8m n LEU 7 N 4.84 6.91 -3.95 1.79 4.77 -1.26 -1.32 117.00 128.78 2c8m n LEU 7 Ca -0.13 -4.82 -0.31 0.00 -0.03 0.00 0.00 56.01 50.73 2c8m n LEU 7 Cb 0.46 -1.41 -0.15 0.00 -2.33 0.00 0.00 43.42 39.98 2c8m n LEU 7 CO 0.32 1.59 -0.38 -0.22 -1.33 0.00 0.00 177.39 177.37 2c8m s LEU 8 N -1.12 3.36 -0.09 2.23 2.96 -1.10 -4.97 118.68 119.95 2c8m s LEU 8 Ca 0.41 -1.62 -0.05 0.00 -0.22 0.00 0.00 54.13 52.65 2c8m s LEU 8 Cb 0.11 -1.32 0.04 0.00 0.50 0.00 0.00 46.19 45.52 2c8m s LEU 8 CO 0.00 -0.31 0.21 -1.83 -1.32 0.00 0.00 176.35 173.10 2c8m s GLU 9 N 1.23 0.18 -0.59 1.98 -1.05 -1.26 -4.67 118.70 114.53 2c8m s GLU 9 Ca 0.02 0.44 0.06 0.00 -0.15 0.00 0.00 54.97 55.35 2c8m s GLU 9 Cb -0.19 -0.10 0.23 0.00 -0.44 0.00 0.00 34.13 33.63 2c8m s GLU 9 CO -0.10 -0.14 0.62 0.25 0.95 0.00 0.00 175.26 176.84 2c8m n THR 10 N 4.01 1.33 0.20 1.83 -2.24 -1.26 -4.97 114.28 113.18 2c8m n THR 10 Ca -0.24 -4.77 0.12 0.00 -2.27 0.00 0.00 64.05 56.89 2c8m n THR 10 Cb 0.54 -2.05 0.68 0.00 -2.10 0.00 0.00 70.33 67.39 2c8m n THR 10 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2c8m h PRO 11 N 4.49 0.00 -0.03 -0.78 0.11 -1.97 -0.01 132.00 133.81 2c8m h PRO 11 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2c8m h PRO 11 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2c8m h PRO 11 CO 0.70 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 2c8m n GLY 12 N -1.54 -0.49 2.77 -0.55 0.00 -1.26 -0.91 105.19 103.20 2c8m n GLY 12 Ca 0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 2c8m n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2c8m s ASN 13 N -1.85 1.03 0.27 1.61 3.84 -0.02 -5.01 114.94 114.81 2c8m s ASN 13 Ca 0.39 -1.62 -0.04 0.00 0.21 0.00 0.00 52.86 51.79 2c8m s ASN 13 Cb 0.19 0.60 0.34 0.00 -0.55 0.00 0.00 41.25 41.84 2c8m s ASN 13 CO 0.31 -0.25 1.90 0.74 -2.79 0.00 0.00 177.10 177.02 2c8m h THR 14 N 5.00 1.23 -0.90 -5.21 2.02 -1.77 -1.53 112.91 111.76 2c8m h THR 14 Ca 0.06 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 2c8m h THR 14 Cb 1.06 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 2c8m h THR 14 CO 0.19 0.26 0.55 0.03 0.37 0.00 0.00 175.52 176.92 2c8m h ARG 15 N 1.13 1.22 -0.48 6.66 3.08 -1.91 -0.26 114.38 123.82 2c8m h ARG 15 Ca 0.29 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 2c8m h ARG 15 Cb -0.00 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 2c8m h ARG 15 CO -0.05 0.85 -0.15 1.98 -1.07 0.00 0.00 179.97 181.53 2c8m h MET 16 N 1.24 0.95 -0.68 0.04 4.05 -1.78 -1.45 114.93 117.30 2c8m h MET 16 Ca 0.33 -0.38 0.09 0.00 -0.28 0.00 0.00 59.70 59.46 2c8m h MET 16 Cb -0.07 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 30.62 2c8m h MET 16 CO -0.06 1.04 0.32 1.03 0.23 0.00 0.00 176.91 179.47 2c8m h SER 17 N 0.80 0.41 0.32 1.39 0.87 -0.55 -0.37 113.55 116.41 2c8m h SER 17 Ca 0.12 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 2c8m h SER 17 Cb 0.71 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2c8m h SER 17 CO 0.05 0.23 -0.51 -0.07 -0.53 0.00 0.00 176.83 176.01 2c8m h LEU 18 N 0.56 0.23 -0.79 2.23 3.38 -0.83 -2.42 115.31 117.66 2c8m h LEU 18 Ca 0.34 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2c8m h LEU 18 Cb 0.37 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2c8m h LEU 18 CO -0.28 0.70 0.36 0.00 0.09 0.00 0.00 178.44 179.32 2c8m h ALA 19 N 1.31 1.02 -0.07 1.53 0.00 -0.46 -1.91 119.26 120.68 2c8m h ALA 19 Ca 0.01 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2c8m h ALA 19 Cb 0.95 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2c8m h ALA 19 CO 0.08 0.59 0.06 1.88 0.00 0.00 0.00 179.25 181.86 2c8m h TYR 20 N 1.12 0.00 0.06 0.00 0.05 -0.61 -1.41 116.97 116.17 2c8m h TYR 20 Ca 0.27 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.70 2c8m h TYR 20 Cb 0.14 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.84 2c8m h TYR 20 CO 0.01 0.00 -2.01 -3.47 -1.05 0.00 0.00 178.16 171.64 2c8m n ASP 21 N -4.12 1.55 0.00 3.88 2.03 -0.76 -1.99 116.55 117.14 2c8m n ASP 21 Ca -0.01 0.21 -0.08 0.00 0.52 0.00 0.00 54.79 55.42 2c8m n ASP 21 Cb 0.16 -0.40 0.08 0.00 -0.72 0.00 0.00 41.12 40.24 2c8m n ASP 21 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2c8m h GLU 22 N 0.03 0.54 -0.22 -0.67 4.81 -1.48 -2.99 114.58 114.61 2c8m h GLU 22 Ca -0.42 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 58.53 2c8m h GLU 22 Cb 2.03 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.40 2c8m h GLU 22 CO 0.06 0.91 0.01 0.00 -0.73 0.00 0.00 179.01 179.26 2c8m h ALA 23 N 1.03 0.20 -0.35 2.92 0.00 -1.23 0.26 119.26 122.09 2c8m h ALA 23 Ca 0.02 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2c8m h ALA 23 Cb 1.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2c8m h ALA 23 CO 0.09 -0.41 -0.23 0.82 0.00 0.00 0.00 179.25 179.52 2c8m h ILE 24 N 0.09 1.27 -0.26 0.00 2.04 -1.50 -0.96 117.51 118.19 2c8m h ILE 24 Ca 0.10 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 2c8m h ILE 24 Cb 0.12 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2c8m h ILE 24 CO -0.16 0.43 0.12 0.22 0.00 0.00 0.00 178.15 178.77 2c8m h TYR 25 N 0.59 0.38 0.00 1.37 3.20 -1.27 -3.04 116.97 118.20 2c8m h TYR 25 Ca 0.08 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 2c8m h TYR 25 Cb 0.71 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2c8m h TYR 25 CO 0.03 0.37 -0.91 0.00 -1.64 0.00 0.00 178.16 176.01 2c8m h ARG 26 N 0.29 0.00 0.00 1.82 3.08 -0.37 -2.95 114.38 116.25 2c8m h ARG 26 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2c8m h ARG 26 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2c8m h ARG 26 CO -0.01 0.53 0.00 0.77 -1.07 0.00 0.00 179.97 180.19 2c8m h SER 27 N 0.00 0.00 -3.14 7.04 0.02 -1.24 -3.46 113.55 112.77 2c8m h SER 27 Ca -0.06 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.36 2c8m h SER 27 Cb 1.55 0.00 0.06 0.00 0.14 0.00 0.00 62.40 64.15 2c8m h SER 27 CO 0.07 0.00 0.87 0.12 -1.14 0.00 0.00 176.83 176.76 2c8m s PHE 28 N -3.51 2.90 -0.06 3.45 5.36 -1.12 -5.01 117.98 119.99 2c8m s PHE 28 Ca 0.03 0.74 0.03 0.00 -0.96 0.00 0.00 56.93 56.77 2c8m s PHE 28 Cb 0.08 -3.99 -0.03 0.00 -0.34 0.00 0.00 43.02 38.74 2c8m s PHE 28 CO 0.57 -3.44 -0.13 -0.65 -1.46 0.00 0.00 175.22 170.11 2c8m s GLN 29 N 0.12 2.64 0.17 10.12 -0.21 -1.26 -4.99 119.66 126.25 2c8m s GLN 29 Ca 0.65 -0.66 -0.33 0.00 0.02 0.00 0.00 55.36 55.04 2c8m s GLN 29 Cb -0.46 -2.45 -0.15 0.00 1.00 0.00 0.00 33.01 30.95 2c8m s GLN 29 CO 0.41 0.60 1.22 0.98 -2.12 0.00 0.00 175.29 176.37 2c8m n TYR 30 N 2.40 1.43 -0.14 0.91 9.36 -1.26 -0.81 117.16 129.05 2c8m n TYR 30 Ca -0.17 0.64 0.00 0.00 3.32 0.00 0.00 57.90 61.69 2c8m n TYR 30 Cb 0.52 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 36.92 2c8m n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2c8m n GLY 31 N 2.11 1.13 3.72 2.98 0.00 -1.26 -5.06 105.19 108.80 2c8m n GLY 31 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2c8m n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c8m s ASP 32 N -2.92 3.90 -0.02 1.61 1.01 0.01 -4.94 116.67 115.32 2c8m s ASP 32 Ca 0.00 2.21 -0.34 0.00 0.71 0.00 0.00 52.55 55.13 2c8m s ASP 32 Cb 0.00 -2.57 -0.13 0.00 1.01 0.00 0.00 42.92 41.23 2c8m s ASP 32 CO 0.00 -2.46 1.76 0.29 0.21 0.00 0.00 175.17 174.98 2c8m n LYS 33 N -3.28 2.09 -1.68 8.23 5.02 -1.26 -4.72 118.16 122.55 2c8m n LYS 33 Ca 0.12 0.76 -0.41 0.00 -2.02 0.00 0.00 58.31 56.76 2c8m n LYS 33 Cb 0.51 -2.57 0.01 0.00 -0.02 0.00 0.00 35.03 32.96 2c8m n LYS 33 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2c8m n PRO 34 N 5.46 1.87 -4.84 1.97 -0.04 -1.26 -4.61 135.00 133.54 2c8m n PRO 34 Ca 0.21 0.66 -0.33 0.00 -0.04 0.00 0.00 63.50 64.00 2c8m n PRO 34 Cb 0.28 -2.30 -0.14 0.00 -0.04 0.00 0.00 33.50 31.30 2c8m n PRO 34 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2c8m s ILE 35 N -1.18 3.02 -0.19 0.52 1.01 0.56 -0.79 121.20 124.15 2c8m s ILE 35 Ca 0.60 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.56 2c8m s ILE 35 Cb -0.53 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 39.74 2c8m s ILE 35 CO 0.59 0.56 -0.13 -0.22 0.00 0.00 0.00 174.94 175.74 2c8m s LEU 36 N -0.15 2.18 -0.09 2.97 2.96 0.08 -1.60 118.68 125.02 2c8m s LEU 36 Ca -0.01 -0.79 0.02 0.00 -0.22 0.00 0.00 54.13 53.14 2c8m s LEU 36 Cb -0.14 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 2c8m s LEU 36 CO 0.03 -0.11 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.19 2c8m s ARG 37 N 1.39 2.98 -0.06 1.98 3.52 -0.32 -0.67 118.95 127.77 2c8m s ARG 37 Ca 0.01 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.88 2c8m s ARG 37 Cb -0.15 -2.45 -0.03 0.00 -1.56 0.00 0.00 34.95 30.77 2c8m s ARG 37 CO -0.09 0.34 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.56 2c8m s PHE 38 N -0.01 2.78 -0.01 5.12 0.08 -0.43 -1.30 117.98 124.21 2c8m s PHE 38 Ca -0.05 -0.13 -0.29 0.00 0.12 0.00 0.00 56.93 56.59 2c8m s PHE 38 Cb -0.14 -1.67 0.08 0.00 -0.57 0.00 0.00 43.02 40.72 2c8m s PHE 38 CO 0.04 0.21 0.72 1.52 -0.10 0.00 0.00 175.22 177.61 2c8m s TYR 39 N -0.69 -0.56 0.21 0.36 -0.85 -0.27 -2.70 117.35 112.85 2c8m s TYR 39 Ca 0.10 0.78 0.10 0.00 -0.52 0.00 0.00 57.07 57.53 2c8m s TYR 39 Cb -0.11 0.46 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 2c8m s TYR 39 CO 0.01 -0.63 -0.20 1.03 -1.52 0.00 0.00 175.55 174.24 2c8m s ARG 40 N -2.00 1.45 -0.04 -3.49 0.52 -1.26 -0.76 118.95 113.37 2c8m s ARG 40 Ca -0.05 -1.56 0.05 0.00 -0.52 0.00 0.00 55.73 53.65 2c8m s ARG 40 Cb -0.00 -1.55 -0.01 0.00 0.52 0.00 0.00 34.95 33.91 2c8m s ARG 40 CO 0.01 0.31 -0.19 -1.01 0.02 0.00 0.00 175.30 174.44 2c8m s HIS 41 N -2.19 1.85 1.31 -0.53 3.76 -1.26 -3.73 115.29 114.49 2c8m s HIS 41 Ca 0.22 -0.52 -0.19 0.00 -0.15 0.00 0.00 55.06 54.42 2c8m s HIS 41 Cb -0.05 -1.23 0.33 0.00 1.11 0.00 0.00 32.58 32.73 2c8m s HIS 41 CO 0.10 -0.16 0.98 0.34 -0.85 0.00 0.00 174.74 175.15 2c8m s ASP 42 N -0.05 -0.15 -0.25 1.40 -1.08 -0.09 -3.26 116.67 113.18 2c8m s ASP 42 Ca -0.03 1.00 -0.39 0.00 -0.52 0.00 0.00 52.55 52.61 2c8m s ASP 42 Cb -0.12 -1.48 -0.18 0.00 -1.46 0.00 0.00 42.92 39.69 2c8m s ASP 42 CO 0.02 -4.83 1.23 0.54 0.52 0.00 0.00 175.17 172.65 2c8m n ARG 43 N -5.28 0.00 -3.61 4.34 1.74 -1.24 -4.45 116.66 108.15 2c8m n ARG 43 Ca 0.10 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.08 2c8m n ARG 43 Cb 0.58 -1.34 -0.06 0.00 -1.02 0.00 0.00 32.46 30.62 2c8m n ARG 43 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2c8m s SER 44 N 1.52 -0.40 -0.18 0.55 0.01 -0.62 -3.25 113.70 111.32 2c8m s SER 44 Ca 0.88 0.64 -0.03 0.00 1.31 0.00 0.00 55.95 58.75 2c8m s SER 44 Cb -1.25 0.60 -0.02 0.00 0.21 0.00 0.00 66.02 65.56 2c8m s SER 44 CO 0.64 -0.22 -0.06 -0.69 0.41 0.00 0.00 173.24 173.32 2c8m s VAL 45 N -0.35 3.48 -0.25 3.43 1.01 0.75 -0.64 120.40 127.83 2c8m s VAL 45 Ca 0.01 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 2c8m s VAL 45 Cb -0.03 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2c8m s VAL 45 CO -0.03 0.46 0.06 -0.63 0.00 0.00 0.00 175.10 174.95 2c8m s ILE 46 N 0.94 4.11 0.18 2.22 1.09 0.00 -1.22 121.20 128.52 2c8m s ILE 46 Ca -0.01 -0.32 0.02 0.00 -1.10 0.00 0.00 60.65 59.25 2c8m s ILE 46 Cb -0.15 -2.96 -0.04 0.00 -1.06 0.00 0.00 42.46 38.26 2c8m s ILE 46 CO 0.01 0.30 0.32 0.27 -0.10 0.00 0.00 174.94 175.74 2c8m s ILE 47 N 1.57 5.29 0.78 2.92 -4.36 -0.32 -1.37 121.20 125.72 2c8m s ILE 47 Ca 0.06 -0.67 -0.14 0.00 -0.26 0.00 0.00 60.65 59.63 2c8m s ILE 47 Cb -0.15 -3.76 0.07 0.00 1.25 0.00 0.00 42.46 39.86 2c8m s ILE 47 CO 0.02 -0.15 1.22 0.61 0.24 0.00 0.00 174.94 176.88 2c8m n GLY 48 N -0.72 0.10 0.38 6.27 0.00 -1.24 -1.76 105.19 108.20 2c8m n GLY 48 Ca -0.07 -0.43 0.15 0.00 0.00 0.00 0.00 46.02 45.67 2c8m n GLY 48 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2c8m h TYR 49 N -0.65 0.85 -0.44 1.61 3.20 -1.04 -2.46 116.97 118.04 2c8m h TYR 49 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2c8m h TYR 49 Cb 1.31 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.32 2c8m h TYR 49 CO 0.45 0.23 0.00 1.19 -1.64 0.00 0.00 178.16 178.39 2c8m n PHE 50 N -4.63 0.57 -3.23 -3.82 3.72 -1.26 -4.99 117.46 103.82 2c8m n PHE 50 Ca 0.21 -0.28 -0.33 0.00 -0.05 0.00 0.00 57.45 57.00 2c8m n PHE 50 Cb 0.59 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.07 2c8m n PHE 50 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2c8m s GLN 51 N -1.43 3.96 -0.40 -1.08 -0.21 -0.93 -5.04 119.66 114.54 2c8m s GLN 51 Ca 0.39 0.56 -0.21 0.00 0.02 0.00 0.00 55.36 56.12 2c8m s GLN 51 Cb 0.22 -2.54 0.01 0.00 1.00 0.00 0.00 33.01 31.70 2c8m s GLN 51 CO 0.30 0.23 0.69 0.08 -2.12 0.00 0.00 175.29 174.47 2c8m s VAL 52 N -1.88 4.81 0.19 1.09 1.01 -1.26 -4.96 120.40 119.39 2c8m s VAL 52 Ca 0.51 0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.77 2c8m s VAL 52 Cb -0.11 -4.18 0.14 0.00 0.00 0.00 0.00 36.38 32.23 2c8m s VAL 52 CO 0.19 -0.48 1.61 0.00 0.00 0.00 0.00 175.10 176.41 2c8m h ALA 53 N 8.67 0.07 0.00 5.51 0.00 -1.91 -0.46 119.26 131.14 2c8m h ALA 53 Ca -0.26 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2c8m h ALA 53 Cb 1.10 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2c8m h ALA 53 CO 0.88 -0.60 0.00 -0.85 0.00 0.00 0.00 179.25 178.68 2c8m n GLU 54 N -5.42 0.34 0.09 0.00 0.28 -1.26 -1.27 120.64 113.39 2c8m n GLU 54 Ca 0.04 0.05 0.06 0.00 -0.16 0.00 0.00 57.16 57.15 2c8m n GLU 54 Cb 0.33 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.69 2c8m n GLU 54 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2c8m h GLU 55 N 0.00 0.00 0.00 3.44 5.08 -1.50 -3.41 114.58 118.19 2c8m h GLU 55 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2c8m h GLU 55 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2c8m h GLU 55 CO 0.00 0.15 -1.41 0.39 -1.00 0.00 0.00 179.01 177.14 2c8m n GLU 56 N -2.83 0.28 -4.05 2.33 -0.58 -0.39 -5.04 120.64 110.35 2c8m n GLU 56 Ca -0.03 -0.08 -0.08 0.00 -0.42 0.00 0.00 57.16 56.54 2c8m n GLU 56 Cb 0.67 -1.21 -0.09 0.00 -0.57 0.00 0.00 31.44 30.24 2c8m n GLU 56 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2c8m s VAL 57 N -2.62 0.15 -0.93 2.62 -7.23 -0.46 -4.52 120.40 107.41 2c8m s VAL 57 Ca -0.03 -1.68 -0.19 0.00 -1.81 0.00 0.00 61.98 58.26 2c8m s VAL 57 Cb 0.06 -1.69 0.12 0.00 0.56 0.00 0.00 36.38 35.43 2c8m s VAL 57 CO 0.37 -0.69 1.14 -0.62 -0.31 0.00 0.00 175.10 174.99 2c8m s ASP 58 N -2.96 6.61 0.41 4.85 -1.08 -0.80 -4.60 116.67 119.11 2c8m s ASP 58 Ca 0.13 -1.98 0.19 0.00 -0.52 0.00 0.00 52.55 50.37 2c8m s ASP 58 Cb 0.07 -2.41 0.88 0.00 -1.46 0.00 0.00 42.92 40.00 2c8m s ASP 58 CO -0.05 -1.10 1.84 -0.07 0.52 0.00 0.00 175.17 176.31 2c8m h LEU 59 N 10.57 0.00 -0.00 -1.34 3.38 -1.90 -0.67 115.31 125.35 2c8m h LEU 59 Ca 0.15 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 2c8m h LEU 59 Cb 1.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.78 2c8m h LEU 59 CO 1.13 0.31 -0.42 -0.78 0.09 0.00 0.00 178.44 178.77 2c8m h ASP 60 N 0.00 0.37 -0.66 -0.43 3.58 -2.00 -2.16 116.42 115.13 2c8m h ASP 60 Ca -0.00 -0.77 0.06 0.00 0.42 0.00 0.00 57.03 56.74 2c8m h ASP 60 Cb 0.70 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.58 2c8m h ASP 60 CO 0.04 1.09 0.35 0.22 -2.88 0.00 0.00 179.24 178.07 2c8m h TYR 61 N -0.31 0.65 -0.21 0.28 3.20 -1.92 -1.35 116.97 117.31 2c8m h TYR 61 Ca -0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 2c8m h TYR 61 Cb 1.16 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 2c8m h TYR 61 CO 0.16 0.29 0.13 0.52 -1.64 0.00 0.00 178.16 177.63 2c8m h MET 62 N 0.65 0.28 -0.20 1.82 2.86 -1.11 -1.03 114.93 118.20 2c8m h MET 62 Ca 0.30 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.89 2c8m h MET 62 Cb 0.22 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2c8m h MET 62 CO -0.20 0.22 0.01 0.87 1.06 0.00 0.00 176.91 178.87 2c8m h LYS 63 N 0.26 0.34 -0.99 1.72 6.56 -1.28 -0.33 116.57 122.86 2c8m h LYS 63 Ca 0.08 -0.10 0.18 0.00 -1.06 0.00 0.00 60.65 59.75 2c8m h LYS 63 Cb 0.00 -0.03 -0.10 0.00 -0.57 0.00 0.00 32.23 31.53 2c8m h LYS 63 CO -0.01 0.52 0.61 -0.22 -2.06 0.00 0.00 179.45 178.29 2c8m h LYS 64 N 0.11 0.71 -0.70 3.15 3.64 -1.11 -2.52 116.57 119.85 2c8m h LYS 64 Ca 0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2c8m h LYS 64 Cb 0.36 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2c8m h LYS 64 CO 0.01 0.47 0.00 0.09 -2.27 0.00 0.00 179.45 177.75 2c8m n ASN 65 N -4.69 4.03 -2.74 4.20 3.02 -0.40 -4.97 115.26 113.71 2c8m n ASN 65 Ca 0.22 -2.07 -0.18 0.00 -0.03 0.00 0.00 54.58 52.52 2c8m n ASN 65 Cb 0.57 -0.49 0.05 0.00 -0.61 0.00 0.00 39.78 39.30 2c8m n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c8m n GLY 66 N 1.51 -0.19 3.49 7.41 0.00 -0.70 -4.99 105.19 111.73 2c8m n GLY 66 Ca 0.24 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 2c8m n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c8m s ILE 67 N -3.20 4.71 0.22 -0.61 1.01 -0.22 -4.93 121.20 118.18 2c8m s ILE 67 Ca 0.40 -0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.66 2c8m s ILE 67 Cb -0.18 -3.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 2c8m s ILE 67 CO 0.50 0.26 1.37 -0.32 0.00 0.00 0.00 174.94 176.75 2c8m s MET 68 N 1.67 4.33 -0.04 2.79 -2.45 -1.20 -4.55 119.30 119.84 2c8m s MET 68 Ca 0.06 2.17 -0.20 0.00 -1.25 0.00 0.00 55.69 56.47 2c8m s MET 68 Cb -0.16 -3.16 -0.05 0.00 1.25 0.00 0.00 34.83 32.72 2c8m s MET 68 CO 0.07 -0.34 0.58 -1.17 1.05 0.00 0.00 175.02 175.21 2c8m s LEU 69 N -0.15 4.36 -0.04 4.11 2.96 -1.26 -0.18 118.68 128.48 2c8m s LEU 69 Ca 0.58 1.08 -0.02 0.00 -0.22 0.00 0.00 54.13 55.55 2c8m s LEU 69 Cb -0.39 -2.89 0.02 0.00 0.50 0.00 0.00 46.19 43.43 2c8m s LEU 69 CO 0.40 0.04 0.09 0.00 -1.32 0.00 0.00 176.35 175.56 2c8m s ALA 70 N 0.19 -0.14 -0.19 5.97 0.00 -0.36 -4.94 121.76 122.29 2c8m s ALA 70 Ca 0.31 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 2c8m s ALA 70 Cb -0.17 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 2c8m s ALA 70 CO 0.16 -0.10 0.16 0.50 0.00 0.00 0.00 175.76 176.47 2c8m s ARG 71 N 0.74 4.20 0.60 0.00 3.52 -1.26 -1.18 118.95 125.57 2c8m s ARG 71 Ca -0.06 -0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.40 2c8m s ARG 71 Cb -0.08 -3.42 0.07 0.00 -1.56 0.00 0.00 34.95 29.96 2c8m s ARG 71 CO -0.03 0.29 0.83 -0.98 -0.81 0.00 0.00 175.30 174.60 2c8m s ARG 72 N 0.38 2.22 0.04 5.12 1.70 -0.72 -4.93 118.95 122.74 2c8m s ARG 72 Ca 0.09 -1.13 0.24 0.00 -0.47 0.00 0.00 55.73 54.46 2c8m s ARG 72 Cb -0.11 -2.50 0.23 0.00 -0.57 0.00 0.00 34.95 32.00 2c8m s ARG 72 CO -0.01 -0.95 1.20 2.48 -1.08 0.00 0.00 175.30 176.94 2c8m n TYR 73 N -2.44 0.20 -2.93 5.89 0.18 -1.26 -3.14 117.16 113.65 2c8m n TYR 73 Ca 0.12 0.06 -0.28 0.00 1.88 0.00 0.00 57.90 59.68 2c8m n TYR 73 Cb 0.60 -0.37 -0.01 0.00 -0.38 0.00 0.00 39.34 39.18 2c8m n TYR 73 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2c8m s THR 74 N -3.10 4.94 0.00 -3.48 -4.23 -1.26 -4.71 115.64 103.79 2c8m s THR 74 Ca 0.07 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2c8m s THR 74 Cb 0.15 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2c8m s THR 74 CO 0.76 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2c8m n GLY 75 N -1.74 -1.42 0.07 3.99 0.00 -1.26 -1.07 105.19 103.76 2c8m n GLY 75 Ca -0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2c8m n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c8m n GLY 76 N 3.80 -3.23 2.99 -0.02 0.00 -1.26 -4.60 105.19 102.87 2c8m n GLY 76 Ca 0.00 -2.08 -0.16 0.00 0.00 0.00 0.00 46.02 43.78 2c8m n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c8m n GLY 77 N -0.01 1.53 3.82 -0.02 0.00 -1.26 -3.66 105.19 105.58 2c8m n GLY 77 Ca 0.00 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 2c8m n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c8m s ALA 78 N -2.72 3.54 0.04 4.61 0.00 -1.26 -3.84 121.76 122.13 2c8m s ALA 78 Ca 0.48 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2c8m s ALA 78 Cb -0.03 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 2c8m s ALA 78 CO 0.31 0.40 -0.05 0.14 0.00 0.00 0.00 175.76 176.56 2c8m s VAL 79 N -1.31 0.30 -0.17 0.00 -7.23 -0.47 -4.99 120.40 106.53 2c8m s VAL 79 Ca 0.35 -1.25 -0.06 0.00 -1.81 0.00 0.00 61.98 59.22 2c8m s VAL 79 Cb -0.18 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 2c8m s VAL 79 CO 0.20 -0.62 0.02 -0.47 -0.31 0.00 0.00 175.10 173.92 2c8m s TYR 80 N -2.18 3.16 0.05 2.82 5.04 -1.26 -0.82 117.35 124.16 2c8m s TYR 80 Ca -0.07 -0.05 0.08 0.00 -2.44 0.00 0.00 57.07 54.59 2c8m s TYR 80 Cb -0.05 -2.01 -0.03 0.00 0.35 0.00 0.00 41.96 40.22 2c8m s TYR 80 CO -0.03 0.11 -0.23 -1.01 -1.34 0.00 0.00 175.55 173.05 2c8m s HIS 81 N 0.27 2.42 0.00 4.97 3.76 0.19 -5.00 115.29 121.90 2c8m s HIS 81 Ca 0.01 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 2c8m s HIS 81 Cb -0.13 -1.42 0.00 0.00 1.11 0.00 0.00 32.58 32.14 2c8m s HIS 81 CO 0.01 0.19 0.00 -0.40 -0.85 0.00 0.00 174.74 173.69 2c8m n ASP 82 N 1.65 0.00 0.00 1.40 5.68 -1.23 -1.59 116.55 122.45 2c8m n ASP 82 Ca -0.17 -0.83 0.08 0.00 -0.50 0.00 0.00 54.79 53.38 2c8m n ASP 82 Cb 0.52 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.90 2c8m n ASP 82 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c8m n LEU 83 N 0.00 0.00 -0.37 -2.12 4.77 -1.20 -1.19 117.00 116.89 2c8m n LEU 83 Ca 0.00 0.33 0.14 0.00 -0.03 0.00 0.00 56.01 56.45 2c8m n LEU 83 Cb 0.00 -0.33 0.56 0.00 -2.33 0.00 0.00 43.42 41.32 2c8m n LEU 83 CO 0.00 -0.15 0.87 0.61 -1.33 0.00 0.00 177.39 177.39 2c8m n GLY 84 N 0.11 -0.25 3.55 -0.72 0.00 -1.26 -4.80 105.19 101.81 2c8m n GLY 84 Ca 0.07 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2c8m n GLY 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2c8m s ASP 85 N -2.10 5.24 -0.26 1.61 -1.08 -0.33 -0.65 116.67 119.10 2c8m s ASP 85 Ca 0.37 -0.05 -0.10 0.00 -0.52 0.00 0.00 52.55 52.24 2c8m s ASP 85 Cb 0.21 -1.89 -0.05 0.00 -1.46 0.00 0.00 42.92 39.73 2c8m s ASP 85 CO 0.37 0.13 0.16 -0.22 0.52 0.00 0.00 175.17 176.13 2c8m s LEU 86 N 0.63 3.92 0.11 -1.34 2.96 -0.19 -4.55 118.68 120.22 2c8m s LEU 86 Ca 0.01 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 2c8m s LEU 86 Cb -0.14 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2c8m s LEU 86 CO 0.02 -0.02 0.12 0.20 -1.32 0.00 0.00 176.35 175.35 2c8m s ASN 87 N 1.54 5.63 -0.02 3.68 -0.87 0.06 -0.92 114.94 124.04 2c8m s ASN 87 Ca 0.07 -0.03 -0.21 0.00 -1.57 0.00 0.00 52.86 51.13 2c8m s ASN 87 Cb -0.15 -1.52 0.04 0.00 -0.02 0.00 0.00 41.25 39.59 2c8m s ASN 87 CO 0.08 0.13 0.44 0.72 -2.57 0.00 0.00 177.10 175.90 2c8m s PHE 88 N -1.55 -0.35 -0.00 2.20 -0.12 -0.61 -1.11 117.98 116.43 2c8m s PHE 88 Ca 0.31 0.55 0.03 0.00 -0.05 0.00 0.00 56.93 57.77 2c8m s PHE 88 Cb -0.11 0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 42.48 2c8m s PHE 88 CO 0.23 -0.48 -0.11 -1.12 -0.05 0.00 0.00 175.22 173.69 2c8m s SER 89 N -1.35 1.28 -0.11 1.98 0.01 -0.42 -0.06 113.70 115.04 2c8m s SER 89 Ca -0.12 -0.22 0.01 0.00 1.31 0.00 0.00 55.95 56.93 2c8m s SER 89 Cb -0.03 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.08 2c8m s SER 89 CO 0.06 0.12 -0.13 -0.69 0.41 0.00 0.00 173.24 173.00 2c8m s VAL 90 N -0.33 1.35 -0.13 3.43 1.01 -0.40 -1.17 120.40 124.15 2c8m s VAL 90 Ca 0.04 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2c8m s VAL 90 Cb -0.05 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.08 2c8m s VAL 90 CO -0.00 0.41 -0.21 -0.69 0.00 0.00 0.00 175.10 174.61 2c8m s VAL 91 N 1.21 2.20 0.10 2.92 1.01 -0.63 -1.41 120.40 125.79 2c8m s VAL 91 Ca -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.02 2c8m s VAL 91 Cb -0.14 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2c8m s VAL 91 CO -0.04 0.55 -0.03 -0.13 0.00 0.00 0.00 175.10 175.44 2c8m s ARG 92 N 0.70 0.81 0.69 2.72 0.52 -1.02 -0.33 118.95 123.05 2c8m s ARG 92 Ca -0.09 -1.34 -0.16 0.00 -0.52 0.00 0.00 55.73 53.62 2c8m s ARG 92 Cb -0.16 -0.03 0.02 0.00 0.52 0.00 0.00 34.95 35.30 2c8m s ARG 92 CO 0.01 -0.09 1.22 -1.12 0.02 0.00 0.00 175.30 175.34 2c8m s SER 93 N -3.02 4.46 -0.02 0.23 0.01 -1.26 -1.57 113.70 112.52 2c8m s SER 93 Ca 0.13 2.40 -0.02 0.00 1.31 0.00 0.00 55.95 59.77 2c8m s SER 93 Cb 0.06 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.71 2c8m s SER 93 CO -0.05 -2.09 0.06 -0.55 0.41 0.00 0.00 173.24 171.02 2c8m s SER 94 N -1.86 -0.05 0.00 2.44 0.15 -0.70 -4.65 113.70 109.03 2c8m s SER 94 Ca 0.76 0.12 0.08 0.00 0.70 0.00 0.00 55.95 57.61 2c8m s SER 94 Cb -0.31 0.11 0.19 0.00 -1.71 0.00 0.00 66.02 64.30 2c8m s SER 94 CO 0.42 -0.03 1.09 0.47 1.20 0.00 0.00 173.24 176.40 2c8m n ASP 95 N 3.14 2.47 -3.85 5.45 8.00 -1.26 -3.65 116.55 126.85 2c8m n ASP 95 Ca -0.13 -1.85 -0.07 0.00 0.71 0.00 0.00 54.79 53.45 2c8m n ASP 95 Cb 0.59 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.54 2c8m n ASP 95 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2c8m s ASP 96 N -0.93 -0.25 -0.39 -2.24 1.47 -1.26 -5.05 116.67 108.01 2c8m s ASP 96 Ca 0.16 -0.59 0.05 0.00 1.18 0.00 0.00 52.55 53.35 2c8m s ASP 96 Cb 0.08 0.70 0.48 0.00 -0.34 0.00 0.00 42.92 43.85 2c8m s ASP 96 CO 0.11 -1.30 1.52 0.23 0.68 0.00 0.00 175.17 176.41 2c8m n MET 97 N -0.46 2.68 -2.96 2.11 2.81 -1.26 -4.92 117.12 115.12 2c8m n MET 97 Ca -0.04 -3.56 -0.44 0.00 -1.81 0.00 0.00 57.70 51.85 2c8m n MET 97 Cb 0.59 -2.11 -0.02 0.00 -0.71 0.00 0.00 33.22 30.98 2c8m n MET 97 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2c8m s ASP 98 N -2.71 6.77 0.18 7.83 2.15 -1.26 -4.84 116.67 124.79 2c8m s ASP 98 Ca 0.52 -2.36 0.06 0.00 0.43 0.00 0.00 52.55 51.20 2c8m s ASP 98 Cb 0.44 -2.39 0.04 0.00 -0.30 0.00 0.00 42.92 40.71 2c8m s ASP 98 CO 0.01 -0.94 1.42 -0.29 -0.17 0.00 0.00 175.17 175.20 2c8m h ILE 99 N 5.43 1.54 -0.60 4.11 2.10 -2.00 -2.93 117.51 125.15 2c8m h ILE 99 Ca 0.20 -2.69 0.06 0.00 1.08 0.00 0.00 64.86 63.52 2c8m h ILE 99 Cb 0.98 2.47 -0.06 0.00 -1.09 0.00 0.00 36.82 39.13 2c8m h ILE 99 CO 1.13 0.77 0.30 0.74 -1.08 0.00 0.00 178.15 180.02 2c8m h THR 100 N 0.05 0.92 -0.13 2.19 2.02 -2.00 -1.41 112.91 114.55 2c8m h THR 100 Ca -0.02 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 2c8m h THR 100 Cb 1.46 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2c8m h THR 100 CO 0.12 0.10 -0.35 -1.28 0.37 0.00 0.00 175.52 174.48 2c8m h SER 101 N 0.56 0.27 0.19 4.18 0.87 -1.95 -1.14 113.55 116.54 2c8m h SER 101 Ca 0.28 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2c8m h SER 101 Cb 0.22 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2c8m h SER 101 CO -0.20 0.61 -0.09 -0.03 -0.53 0.00 0.00 176.83 176.58 2c8m h MET 102 N 0.23 -0.25 -0.65 2.24 -1.53 -1.13 -1.30 114.93 112.53 2c8m h MET 102 Ca 0.03 0.02 0.04 0.00 -3.44 0.00 0.00 59.70 56.34 2c8m h MET 102 Cb 0.73 0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 31.79 2c8m h MET 102 CO 0.06 -0.14 0.39 0.74 0.14 0.00 0.00 176.91 178.10 2c8m h PHE 103 N -0.30 0.73 -0.43 1.39 0.04 -1.09 -1.33 116.94 115.97 2c8m h PHE 103 Ca -0.03 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.82 2c8m h PHE 103 Cb 0.23 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 2c8m h PHE 103 CO -0.05 0.40 0.16 -0.09 -0.60 0.00 0.00 178.31 178.12 2c8m h ARG 104 N 0.76 0.32 -0.08 1.51 2.43 -1.02 0.75 114.38 119.05 2c8m h ARG 104 Ca 0.27 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.23 2c8m h ARG 104 Cb 0.06 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2c8m h ARG 104 CO -0.12 0.21 -0.76 1.79 -1.51 0.00 0.00 179.97 179.57 2c8m h THR 105 N 0.33 1.37 -0.26 0.20 1.35 -0.93 -1.75 112.91 113.22 2c8m h THR 105 Ca 0.20 -2.16 -0.15 0.00 -0.55 0.00 0.00 66.41 63.75 2c8m h THR 105 Cb 0.18 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 2c8m h THR 105 CO -0.20 0.65 -0.45 0.24 -0.25 0.00 0.00 175.52 175.51 2c8m h MET 106 N 0.30 0.66 -0.79 4.72 2.86 -1.04 -2.29 114.93 119.35 2c8m h MET 106 Ca -0.04 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.21 2c8m h MET 106 Cb 1.35 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.99 2c8m h MET 106 CO 0.13 0.98 0.41 -0.91 1.06 0.00 0.00 176.91 178.57 2c8m h ASN 107 N 0.53 1.01 -0.65 1.22 2.35 -0.77 -0.68 115.58 118.59 2c8m h ASN 107 Ca 0.03 -0.12 0.08 0.00 -0.55 0.00 0.00 56.30 55.74 2c8m h ASN 107 Cb 0.99 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 39.04 2c8m h ASN 107 CO 0.09 0.84 0.32 -0.08 -1.65 0.00 0.00 177.43 176.96 2c8m h GLU 108 N 1.11 0.56 -0.46 0.81 4.81 -1.17 0.11 114.58 120.34 2c8m h GLU 108 Ca 0.27 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2c8m h GLU 108 Cb 0.08 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2c8m h GLU 108 CO -0.04 0.37 0.29 0.00 -0.73 0.00 0.00 179.01 178.90 2c8m h ALA 109 N 1.38 0.58 -0.50 2.92 0.00 -0.89 -0.32 119.26 122.44 2c8m h ALA 109 Ca 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2c8m h ALA 109 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2c8m h ALA 109 CO -0.24 0.04 0.19 0.28 0.00 0.00 0.00 179.25 179.52 2c8m h VAL 110 N 0.61 1.22 -0.46 0.00 2.07 -0.53 -1.30 116.25 117.85 2c8m h VAL 110 Ca 0.17 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.01 2c8m h VAL 110 Cb -0.05 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2c8m h VAL 110 CO -0.03 0.26 0.30 0.58 0.02 0.00 0.00 177.57 178.69 2c8m h VAL 111 N 0.66 1.11 -0.80 2.57 2.07 -0.50 -1.37 116.25 119.99 2c8m h VAL 111 Ca 0.16 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.51 2c8m h VAL 111 Cb 0.22 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 2c8m h VAL 111 CO -0.01 0.11 0.52 0.78 0.02 0.00 0.00 177.57 179.00 2c8m h ASN 112 N 0.62 0.84 -0.42 0.57 2.35 -0.89 -1.72 115.58 116.93 2c8m h ASN 112 Ca 0.17 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 2c8m h ASN 112 Cb -0.06 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 2c8m h ASN 112 CO -0.04 0.58 -0.06 0.28 -1.65 0.00 0.00 177.43 176.54 2c8m h SER 113 N 0.98 0.78 0.45 5.81 0.02 -0.63 -2.92 113.55 118.02 2c8m h SER 113 Ca 0.32 -0.34 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 2c8m h SER 113 Cb 0.05 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2c8m h SER 113 CO -0.09 0.93 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.90 2c8m h LEU 114 N 0.61 0.13 -1.02 5.07 3.38 -1.04 -2.38 115.31 120.06 2c8m h LEU 114 Ca 0.11 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2c8m h LEU 114 Cb 0.57 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2c8m h LEU 114 CO 0.03 0.66 0.65 -0.09 0.09 0.00 0.00 178.44 179.78 2c8m h ARG 115 N 0.09 1.16 -0.74 1.13 2.43 -1.24 0.46 114.38 117.68 2c8m h ARG 115 Ca -0.00 -0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.20 2c8m h ARG 115 Cb 1.01 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 30.25 2c8m h ARG 115 CO 0.08 0.77 0.49 0.82 -1.51 0.00 0.00 179.97 180.62 2c8m h ILE 116 N 1.20 0.91 -0.01 1.20 2.04 -1.23 -0.98 117.51 120.63 2c8m h ILE 116 Ca 0.42 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 66.07 2c8m h ILE 116 Cb 0.12 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2c8m h ILE 116 CO -0.16 0.11 -0.10 0.18 0.00 0.00 0.00 178.15 178.18 2c8m n LEU 117 N -4.50 0.87 0.00 1.44 4.77 -0.41 -4.92 117.00 114.26 2c8m n LEU 117 Ca 0.13 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2c8m n LEU 117 Cb 0.37 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2c8m n LEU 117 CO 0.33 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2c8m n GLY 118 N 1.23 0.58 3.40 -0.72 0.00 -0.37 -4.96 105.19 104.36 2c8m n GLY 118 Ca 0.16 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 2c8m n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2c8m s LEU 119 N 0.00 3.14 -0.12 0.99 2.96 0.02 -4.98 118.68 120.69 2c8m s LEU 119 Ca 0.00 -0.27 -0.23 0.00 -0.22 0.00 0.00 54.13 53.41 2c8m s LEU 119 Cb 0.00 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 2c8m s LEU 119 CO 0.00 0.03 0.72 -0.62 -1.32 0.00 0.00 176.35 175.16 2c8m s ASP 120 N 1.20 6.92 0.05 3.68 3.68 -1.26 -3.07 116.67 127.87 2c8m s ASP 120 Ca 0.03 1.12 -0.15 0.00 2.13 0.00 0.00 52.55 55.68 2c8m s ASP 120 Cb -0.15 -2.41 0.02 0.00 -1.45 0.00 0.00 42.92 38.94 2c8m s ASP 120 CO 0.01 -0.22 0.33 0.00 0.13 0.00 0.00 175.17 175.41 2c8m s ALA 121 N 1.37 -0.75 0.08 3.66 0.00 -1.26 -4.50 121.76 120.36 2c8m s ALA 121 Ca 0.36 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.38 2c8m s ALA 121 Cb -0.17 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2c8m s ALA 121 CO 0.15 -0.43 -0.06 1.03 0.00 0.00 0.00 175.76 176.44 2c8m s ARG 122 N -2.62 0.71 0.47 0.00 0.52 -0.08 -4.86 118.95 113.09 2c8m s ARG 122 Ca -0.04 -1.15 -0.24 0.00 -0.52 0.00 0.00 55.73 53.77 2c8m s ARG 122 Cb -0.01 -0.16 -0.07 0.00 0.52 0.00 0.00 34.95 35.23 2c8m s ARG 122 CO -0.04 -0.01 1.39 -1.25 0.02 0.00 0.00 175.30 175.41 2c8m s PRO 123 N -3.21 3.56 1.15 3.54 0.04 -1.26 0.14 135.00 138.95 2c8m s PRO 123 Ca 0.05 2.32 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 2c8m s PRO 123 Cb 0.01 -2.54 0.26 0.00 0.04 0.00 0.00 34.50 32.27 2c8m s PRO 123 CO -0.04 -0.89 1.05 0.20 0.04 0.00 0.00 177.00 177.37 2c8m s GLY 124 N -0.69 1.54 -0.01 0.56 0.00 -0.47 -4.80 107.32 103.44 2c8m s GLY 124 Ca 0.64 -0.46 0.21 0.00 0.00 0.00 0.00 44.72 45.10 2c8m s GLY 124 CO 0.52 0.29 0.72 1.18 0.00 0.00 0.00 173.10 175.81 2c8m n GLU 125 N -4.71 0.37 -4.19 2.90 1.02 -0.70 -3.65 120.64 111.67 2c8m n GLU 125 Ca 0.06 -0.07 -0.32 0.00 -0.02 0.00 0.00 57.16 56.81 2c8m n GLU 125 Cb 0.57 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.43 2c8m n GLU 125 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2c8m s LEU 126 N -3.53 3.65 0.17 -4.62 1.43 0.22 -4.78 118.68 111.22 2c8m s LEU 126 Ca 0.02 0.02 0.18 0.00 -1.03 0.00 0.00 54.13 53.32 2c8m s LEU 126 Cb 0.15 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2c8m s LEU 126 CO 0.86 0.26 1.10 0.78 0.23 0.00 0.00 176.35 179.57 2c8m h ASN 127 N 4.08 0.00 -2.04 2.29 2.35 -1.95 -0.63 115.58 119.68 2c8m h ASN 127 Ca -0.49 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.68 2c8m h ASN 127 Cb 1.18 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.55 2c8m h ASN 127 CO 0.60 0.42 1.37 -0.67 -1.65 0.00 0.00 177.43 177.50 2c8m n ASP 128 N -2.97 3.50 0.08 5.81 -0.08 -1.26 -4.83 116.55 116.81 2c8m n ASP 128 Ca -0.04 0.51 0.13 0.00 -1.51 0.00 0.00 54.79 53.89 2c8m n ASP 128 Cb 0.74 -1.51 0.43 0.00 2.34 0.00 0.00 41.12 43.12 2c8m n ASP 128 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2c8m n VAL 129 N 6.76 0.47 0.82 5.18 0.24 -1.26 -3.45 118.33 127.09 2c8m n VAL 129 Ca 0.27 -0.23 0.12 0.00 -2.04 0.00 0.00 64.34 62.45 2c8m n VAL 129 Cb 0.41 -0.54 0.17 0.00 -1.47 0.00 0.00 33.84 32.41 2c8m n VAL 129 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2c8m n SER 130 N -2.11 0.59 -4.87 -1.34 3.41 -1.26 -4.90 113.62 103.14 2c8m n SER 130 Ca 0.06 -0.20 -0.31 0.00 -0.26 0.00 0.00 58.87 58.16 2c8m n SER 130 Cb 0.41 0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 64.69 2c8m n SER 130 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2c8m s ILE 131 N -3.08 4.83 0.06 -1.33 -4.36 -1.22 -5.00 121.20 111.10 2c8m s ILE 131 Ca 0.08 0.61 -0.04 0.00 -0.26 0.00 0.00 60.65 61.04 2c8m s ILE 131 Cb 0.16 -3.64 -0.28 0.00 1.25 0.00 0.00 42.46 39.94 2c8m s ILE 131 CO 0.73 -0.20 1.09 1.55 0.24 0.00 0.00 174.94 178.35 2c8m h PRO 132 N 2.16 0.27 -4.78 0.37 0.13 -1.91 -3.46 132.00 124.78 2c8m h PRO 132 Ca -0.47 -0.46 -0.36 0.00 -0.87 0.00 0.00 66.00 63.83 2c8m h PRO 132 Cb 1.18 0.17 -0.14 0.00 0.13 0.00 0.00 31.00 32.34 2c8m h PRO 132 CO 0.67 1.20 -0.57 0.14 -0.23 0.00 0.00 178.00 179.21 2c8m s VAL 133 N -2.65 0.17 -1.29 1.56 -7.23 -1.26 -4.91 120.40 104.79 2c8m s VAL 133 Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 2c8m s VAL 133 Cb 0.07 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.49 2c8m s VAL 133 CO 0.88 0.00 0.00 -3.20 -0.31 0.00 0.00 175.10 172.47 2c8m n ASN 134 N -0.77 -4.51 -4.91 4.85 5.15 -1.26 -4.97 115.26 108.84 2c8m n ASN 134 Ca 0.03 0.03 -0.27 0.00 -0.60 0.00 0.00 54.58 53.76 2c8m n ASN 134 Cb 0.65 -3.61 -0.01 0.00 -0.53 0.00 0.00 39.78 36.27 2c8m n ASN 134 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2c8m s LYS 135 N -4.56 3.57 0.23 1.20 1.02 -1.26 -0.61 119.74 119.32 2c8m s LYS 135 Ca 0.00 0.13 0.18 0.00 0.02 0.00 0.00 55.97 56.30 2c8m s LYS 135 Cb 0.00 -2.45 0.89 0.00 -0.52 0.00 0.00 37.83 35.75 2c8m s LYS 135 CO 0.00 -0.08 1.56 1.63 -0.92 0.00 0.00 175.35 177.54 2c8m n LYS 136 N -1.92 0.12 0.00 1.68 5.02 -0.24 -1.11 118.16 121.70 2c8m n LYS 136 Ca -0.00 0.52 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 2c8m n LYS 136 Cb 0.55 -1.82 0.15 0.00 -0.02 0.00 0.00 35.03 33.89 2c8m n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2c8m n THR 137 N -2.07 0.00 -3.34 -0.18 -2.24 -1.26 -4.48 114.28 100.70 2c8m n THR 137 Ca 0.00 -0.16 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 2c8m n THR 137 Cb 0.10 0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 2c8m n THR 137 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2c8m s ASP 138 N -2.58 6.48 -0.14 3.42 1.01 -0.27 -2.67 116.67 121.91 2c8m s ASP 138 Ca 0.19 0.76 -0.01 0.00 0.71 0.00 0.00 52.55 54.20 2c8m s ASP 138 Cb 0.18 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.94 2c8m s ASP 138 CO 0.59 -0.18 -0.11 -0.63 0.21 0.00 0.00 175.17 175.05 2c8m s ILE 139 N -2.04 3.16 -0.14 0.77 -1.09 -0.25 -1.37 121.20 120.23 2c8m s ILE 139 Ca 0.45 -0.62 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 2c8m s ILE 139 Cb -0.11 -2.34 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 2c8m s ILE 139 CO 0.28 0.51 -0.19 -0.04 -1.23 0.00 0.00 174.94 174.28 2c8m s MET 140 N 0.46 3.11 -0.81 2.79 -1.94 0.37 -1.44 119.30 121.84 2c8m s MET 140 Ca -0.08 -0.81 -0.18 0.00 -1.71 0.00 0.00 55.69 52.91 2c8m s MET 140 Cb -0.16 -2.51 0.15 0.00 2.01 0.00 0.00 34.83 34.32 2c8m s MET 140 CO 0.04 0.01 0.92 0.00 -0.01 0.00 0.00 175.02 175.99 2c8m s ALA 141 N 0.79 3.57 0.00 3.03 0.00 0.62 -0.91 121.76 128.86 2c8m s ALA 141 Ca -0.07 -2.76 0.00 0.00 0.00 0.00 0.00 51.96 49.13 2c8m s ALA 141 Cb -0.16 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.19 2c8m s ALA 141 CO -0.01 -2.63 0.00 0.41 0.00 0.00 0.00 175.76 173.53 2c8m n GLY 142 N 5.01 3.58 0.00 0.00 0.00 -1.26 -2.34 105.19 110.18 2c8m n GLY 142 Ca 0.12 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2c8m n GLY 142 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c8m n GLU 143 N 14.00 0.35 -4.07 1.61 0.28 -1.26 -4.83 120.64 126.72 2c8m n GLU 143 Ca 0.00 0.02 -0.35 0.00 -0.16 0.00 0.00 57.16 56.67 2c8m n GLU 143 Cb 0.00 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 2c8m n GLU 143 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2c8m s LYS 144 N -2.62 3.57 -0.00 3.44 -0.14 -0.99 -4.92 119.74 118.08 2c8m s LYS 144 Ca 0.25 -0.30 -0.28 0.00 -1.36 0.00 0.00 55.97 54.27 2c8m s LYS 144 Cb 0.19 -3.09 -0.03 0.00 -1.68 0.00 0.00 37.83 33.21 2c8m s LYS 144 CO 0.43 0.53 0.91 0.21 -0.76 0.00 0.00 175.35 176.66 2c8m s LYS 145 N -0.34 4.54 0.00 1.68 2.20 -0.04 -0.27 119.74 127.50 2c8m s LYS 145 Ca 0.09 1.28 0.03 0.00 -0.36 0.00 0.00 55.97 57.02 2c8m s LYS 145 Cb -0.12 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 2c8m s LYS 145 CO 0.02 0.01 0.32 0.44 -0.36 0.00 0.00 175.35 175.78 2c8m n ILE 146 N 3.74 0.00 -3.62 5.43 -5.35 -0.52 -1.29 119.36 117.75 2c8m n ILE 146 Ca 0.04 -0.46 -0.15 0.00 -0.27 0.00 0.00 62.75 61.91 2c8m n ILE 146 Cb 0.51 1.03 -0.07 0.00 -1.74 0.00 0.00 39.64 39.37 2c8m n ILE 146 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 2c8m s MET 147 N -0.89 0.85 0.20 6.28 0.00 -1.16 -0.93 119.30 123.66 2c8m s MET 147 Ca 0.02 0.69 0.05 0.00 0.00 0.00 0.00 55.69 56.45 2c8m s MET 147 Cb 0.03 0.41 -0.05 0.00 0.00 0.00 0.00 34.83 35.22 2c8m s MET 147 CO 0.09 -0.16 -0.06 0.20 0.00 0.00 0.00 175.02 175.09 2c8m s GLY 148 N -0.15 1.38 0.09 2.11 0.00 -0.94 -1.09 107.32 108.72 2c8m s GLY 148 Ca -0.04 -1.66 -0.09 0.00 0.00 0.00 0.00 44.72 42.94 2c8m s GLY 148 CO 0.04 -1.66 0.19 0.00 0.00 0.00 0.00 173.10 171.67 2c8m s ALA 149 N -3.30 -0.22 0.15 3.20 0.00 -1.09 -1.29 121.76 119.21 2c8m s ALA 149 Ca 0.23 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 2c8m s ALA 149 Cb 0.04 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 2c8m s ALA 149 CO 0.06 -0.52 0.07 0.00 0.00 0.00 0.00 175.76 175.37 2c8m s ALA 150 N -3.87 1.01 0.28 0.00 0.00 -0.58 -4.90 121.76 113.71 2c8m s ALA 150 Ca 0.05 -1.54 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 2c8m s ALA 150 Cb 0.05 0.94 0.02 0.00 0.00 0.00 0.00 23.12 24.12 2c8m s ALA 150 CO -0.11 -0.49 0.65 0.20 0.00 0.00 0.00 175.76 176.01 2c8m s GLY 151 N -3.09 0.19 0.05 0.00 0.00 -1.26 -1.96 107.32 101.24 2c8m s GLY 151 Ca 0.27 -0.56 -0.12 0.00 0.00 0.00 0.00 44.72 44.31 2c8m s GLY 151 CO 0.04 -0.30 0.27 0.00 0.00 0.00 0.00 173.10 173.11 2c8m s ALA 152 N -3.77 -0.57 0.02 3.20 0.00 -0.24 -4.53 121.76 115.87 2c8m s ALA 152 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2c8m s ALA 152 Cb -0.04 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 2c8m s ALA 152 CO 0.08 -0.41 -0.04 -1.64 0.00 0.00 0.00 175.76 173.76 2c8m s MET 153 N -2.65 0.33 0.30 0.00 -1.94 -1.26 -0.61 119.30 113.47 2c8m s MET 153 Ca -0.04 -0.59 -0.00 0.00 -1.71 0.00 0.00 55.69 53.34 2c8m s MET 153 Cb -0.01 0.02 -0.02 0.00 2.01 0.00 0.00 34.83 36.83 2c8m s MET 153 CO -0.04 -0.03 0.33 -0.98 -0.01 0.00 0.00 175.02 174.30 2c8m s ARG 154 N -1.37 1.67 -0.12 2.03 1.70 -0.45 -5.02 118.95 117.39 2c8m s ARG 154 Ca -0.14 -1.76 -0.31 0.00 -0.47 0.00 0.00 55.73 53.05 2c8m s ARG 154 Cb -0.09 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.57 2c8m s ARG 154 CO -0.01 -0.64 2.05 0.36 -1.08 0.00 0.00 175.30 175.98 2c8m n LYS 155 N -0.50 2.18 -0.01 3.89 2.85 -1.26 -2.28 118.16 123.03 2c8m n LYS 155 Ca 0.03 0.73 0.00 0.00 -1.05 0.00 0.00 58.31 58.02 2c8m n LYS 155 Cb 0.63 -2.91 0.00 0.00 -0.65 0.00 0.00 35.03 32.10 2c8m n LYS 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2c8m n GLY 156 N 5.12 0.50 3.32 2.58 0.00 -1.24 -4.99 105.19 110.49 2c8m n GLY 156 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 2c8m n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c8m s ALA 157 N -2.18 -1.07 0.13 4.61 0.00 -0.96 -1.72 121.76 120.58 2c8m s ALA 157 Ca 0.00 0.99 0.08 0.00 0.00 0.00 0.00 51.96 53.04 2c8m s ALA 157 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2c8m s ALA 157 CO 0.00 -0.24 -0.20 0.15 0.00 0.00 0.00 175.76 175.47 2c8m s LYS 158 N -0.33 1.20 -0.01 0.00 1.02 -0.61 -1.34 119.74 119.68 2c8m s LYS 158 Ca -0.05 -1.28 0.05 0.00 0.02 0.00 0.00 55.97 54.72 2c8m s LYS 158 Cb -0.03 -1.39 -0.01 0.00 -0.52 0.00 0.00 37.83 35.88 2c8m s LYS 158 CO 0.02 0.31 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.43 2c8m s LEU 159 N -2.25 2.04 -0.17 3.17 2.96 0.22 -2.42 118.68 122.23 2c8m s LEU 159 Ca 0.11 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.67 2c8m s LEU 159 Cb -0.08 -0.84 0.08 0.00 0.50 0.00 0.00 46.19 45.85 2c8m s LEU 159 CO 0.05 0.20 0.25 0.86 -1.32 0.00 0.00 176.35 176.39 2c8m s TRP 160 N -0.41 -0.39 0.11 5.38 -0.00 -0.50 -1.08 118.94 122.05 2c8m s TRP 160 Ca 0.06 0.60 0.07 0.00 -0.00 0.00 0.00 56.10 56.83 2c8m s TRP 160 Cb -0.06 -0.19 -0.03 0.00 -0.00 0.00 0.00 33.47 33.18 2c8m s TRP 160 CO -0.01 -0.50 -0.18 -3.38 -0.00 0.00 0.00 176.95 172.88 2c8m s HIS 161 N 2.38 1.61 0.02 5.86 -3.43 -0.83 -1.28 115.29 119.63 2c8m s HIS 161 Ca 0.05 -0.45 -0.03 0.00 -0.80 0.00 0.00 55.06 53.83 2c8m s HIS 161 Cb -0.14 -0.87 -0.01 0.00 -1.43 0.00 0.00 32.58 30.13 2c8m s HIS 161 CO -0.11 0.18 0.03 0.00 -2.00 0.00 0.00 174.74 172.84 2c8m s ALA 162 N -1.44 -0.03 -0.22 -1.38 0.00 0.91 -1.53 121.76 118.08 2c8m s ALA 162 Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2c8m s ALA 162 Cb -0.09 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.21 2c8m s ALA 162 CO 0.04 -0.19 -0.13 0.00 0.00 0.00 0.00 175.76 175.48 2c8m s ALA 163 N -1.56 2.52 -0.19 0.00 0.00 -0.42 -1.57 121.76 120.54 2c8m s ALA 163 Ca -0.14 -1.39 -0.07 0.00 0.00 0.00 0.00 51.96 50.36 2c8m s ALA 163 Cb -0.08 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 2c8m s ALA 163 CO -0.01 -0.65 0.04 1.41 0.00 0.00 0.00 175.76 176.55 2c8m s MET 164 N 1.28 3.84 -0.55 0.00 1.75 -0.10 -2.22 119.30 123.29 2c8m s MET 164 Ca 0.01 -0.41 -0.28 0.00 -1.25 0.00 0.00 55.69 53.76 2c8m s MET 164 Cb -0.15 -3.18 0.03 0.00 2.84 0.00 0.00 34.83 34.37 2c8m s MET 164 CO -0.08 0.16 1.16 -0.51 -0.65 0.00 0.00 175.02 175.10 2c8m s LEU 165 N 0.66 3.54 -0.23 4.11 1.43 -0.10 -1.03 118.68 127.06 2c8m s LEU 165 Ca 0.02 0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 2c8m s LEU 165 Cb -0.13 -3.23 -0.10 0.00 0.03 0.00 0.00 46.19 42.75 2c8m s LEU 165 CO 0.02 -1.41 -0.29 0.52 0.23 0.00 0.00 176.35 175.42 2c8m n VAL 166 N 6.68 1.51 -2.69 -1.59 0.31 -0.02 -0.12 118.33 122.42 2c8m n VAL 166 Ca 0.09 -0.13 -0.07 0.00 -0.01 0.00 0.00 64.34 64.22 2c8m n VAL 166 Cb 0.49 -2.10 0.07 0.00 -0.91 0.00 0.00 33.84 31.39 2c8m n VAL 166 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c8m n HIS 167 N -4.37 -0.23 -2.56 3.52 1.44 0.18 -2.16 115.22 111.03 2c8m n HIS 167 Ca -0.35 -2.39 -0.34 0.00 -2.01 0.00 0.00 57.72 52.63 2c8m n HIS 167 Cb 0.70 0.40 -0.04 0.00 0.12 0.00 0.00 29.99 31.17 2c8m n HIS 167 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2c8m s THR 168 N -1.89 3.82 -0.67 0.61 2.01 -1.21 -4.31 115.64 114.01 2c8m s THR 168 Ca 0.24 1.16 -0.27 0.00 0.31 0.00 0.00 61.69 63.13 2c8m s THR 168 Cb 0.43 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2c8m s THR 168 CO -0.02 -0.23 1.59 -0.62 -0.69 0.00 0.00 174.62 174.65 2c8m s ASP 169 N -1.96 5.69 0.36 3.53 -1.08 -1.26 -4.85 116.67 117.11 2c8m s ASP 169 Ca 0.66 -0.03 0.27 0.00 -0.52 0.00 0.00 52.55 52.93 2c8m s ASP 169 Cb -0.16 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.67 2c8m s ASP 169 CO 0.20 -2.12 1.78 -0.07 0.52 0.00 0.00 175.17 175.48 2c8m h LEU 170 N 14.82 0.00 -0.00 -1.34 3.38 -1.99 -2.13 115.31 128.05 2c8m h LEU 170 Ca -0.27 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.46 2c8m h LEU 170 Cb 1.11 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.88 2c8m h LEU 170 CO 1.25 0.00 -0.94 0.44 0.09 0.00 0.00 178.44 179.27 2c8m h ASP 171 N 0.00 0.84 -0.60 -0.43 3.32 -2.00 -2.16 116.42 115.40 2c8m h ASP 171 Ca 0.00 -0.74 -0.09 0.00 0.02 0.00 0.00 57.03 56.22 2c8m h ASP 171 Cb 0.63 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2c8m h ASP 171 CO 0.00 1.47 0.04 -0.03 -1.72 0.00 0.00 179.24 179.00 2c8m h MET 172 N 0.29 1.05 -0.15 3.56 4.05 -1.91 -1.88 114.93 119.93 2c8m h MET 172 Ca -0.12 -0.31 0.04 0.00 -0.28 0.00 0.00 59.70 59.04 2c8m h MET 172 Cb 1.61 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 32.25 2c8m h MET 172 CO 0.19 1.00 -0.14 1.25 0.23 0.00 0.00 176.91 179.44 2c8m h LEU 173 N 0.97 -0.44 -0.79 3.39 6.46 -1.39 -1.80 115.31 121.71 2c8m h LEU 173 Ca 0.18 0.09 -0.10 0.00 -0.12 0.00 0.00 57.88 57.93 2c8m h LEU 173 Cb 0.50 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 2c8m h LEU 173 CO 0.02 -0.18 -0.15 0.28 -0.62 0.00 0.00 178.44 177.79 2c8m h SER 174 N -0.16 0.75 -0.47 1.25 0.02 -1.18 -2.69 113.55 111.07 2c8m h SER 174 Ca 0.10 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 2c8m h SER 174 Cb 0.30 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2c8m h SER 174 CO -0.24 0.91 0.00 0.00 -1.14 0.00 0.00 176.83 176.35 2c8m h ALA 175 N 1.16 0.63 0.00 3.77 0.00 -1.11 -3.28 119.26 120.42 2c8m h ALA 175 Ca 0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2c8m h ALA 175 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2c8m h ALA 175 CO 0.04 0.43 -0.62 -0.24 0.00 0.00 0.00 179.25 178.86 2c8m h VAL 176 N 0.68 0.43 -0.75 0.00 3.04 -1.24 -3.18 116.25 115.22 2c8m h VAL 176 Ca 0.13 -1.66 -0.25 0.00 -1.01 0.00 0.00 66.70 63.92 2c8m h VAL 176 Cb 0.50 2.09 -0.15 0.00 -2.01 0.00 0.00 31.29 31.73 2c8m h VAL 176 CO 0.02 0.24 0.31 0.18 -1.01 0.00 0.00 177.57 177.32 2c8m n LEU 177 N -3.04 6.07 0.00 3.16 4.77 -1.02 -1.90 117.00 125.03 2c8m n LEU 177 Ca 0.00 -3.17 0.00 0.00 -0.03 0.00 0.00 56.01 52.81 2c8m n LEU 177 Cb 0.67 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2c8m n LEU 177 CO 0.39 0.82 0.00 0.29 -1.33 0.00 0.00 177.39 177.56 2c8m n LYS 178 N -0.23 0.16 0.00 3.23 5.02 -1.20 -4.86 118.16 120.28 2c8m n LYS 178 Ca 0.42 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 2c8m n LYS 178 Cb 1.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.40 2c8m n LYS 178 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2c8m n GLU 194 N 0.00 0.00 -0.00 1.97 -0.00 -1.26 -4.11 120.64 117.24 2c8m n GLU 194 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.16 57.21 2c8m n GLU 194 Cb 0.00 -0.69 -0.06 0.00 -0.00 0.00 0.00 31.44 30.69 2c8m n GLU 194 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2c8m n ARG 195 N -2.00 2.60 -4.13 3.44 -4.01 -1.26 -4.97 116.66 106.33 2c8m n ARG 195 Ca 0.00 -0.03 -0.26 0.00 -1.04 0.00 0.00 57.85 56.52 2c8m n ARG 195 Cb 0.00 -1.05 -0.06 0.00 -3.04 0.00 0.00 32.46 28.31 2c8m n ARG 195 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 2c8m s VAL 196 N -2.18 4.20 0.07 8.89 -7.23 -1.26 -0.86 120.40 122.03 2c8m s VAL 196 Ca 0.01 -1.22 -0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2c8m s VAL 196 Cb 0.07 -3.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 2c8m s VAL 196 CO 0.40 -0.12 0.02 0.00 -0.31 0.00 0.00 175.10 175.09 2c8m s ALA 197 N -1.77 0.43 0.25 1.32 0.00 -0.41 -4.82 121.76 116.75 2c8m s ALA 197 Ca 0.30 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 2c8m s ALA 197 Cb -0.10 0.37 -0.07 0.00 0.00 0.00 0.00 23.12 23.32 2c8m s ALA 197 CO 0.22 -0.41 0.58 -0.80 0.00 0.00 0.00 175.76 175.35 2c8m s ASN 198 N -2.92 6.63 0.30 0.00 0.02 -1.26 -4.33 114.94 113.37 2c8m s ASN 198 Ca 0.08 0.95 0.03 0.00 -1.02 0.00 0.00 52.86 52.91 2c8m s ASN 198 Cb 0.07 -2.24 0.62 0.00 0.02 0.00 0.00 41.25 39.73 2c8m s ASN 198 CO -0.09 -0.11 1.84 0.58 0.02 0.00 0.00 177.10 179.35 2c8m h VAL 199 N 1.92 0.90 0.00 1.60 2.07 -0.52 -0.74 116.25 121.48 2c8m h VAL 199 Ca -0.47 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2c8m h VAL 199 Cb 1.17 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2c8m h VAL 199 CO 0.68 0.17 0.00 0.35 0.02 0.00 0.00 177.57 178.79 2c8m n THR 200 N -4.61 0.20 0.65 2.57 -2.24 -0.92 -1.13 114.28 108.80 2c8m n THR 200 Ca 0.19 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.14 2c8m n THR 200 Cb 0.38 -0.74 0.46 0.00 -2.10 0.00 0.00 70.33 68.34 2c8m n THR 200 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2c8m n ASP 201 N -1.13 0.46 -0.03 3.42 8.00 -0.28 -4.23 116.55 122.77 2c8m n ASP 201 Ca 0.12 0.57 -0.05 0.00 0.71 0.00 0.00 54.79 56.14 2c8m n ASP 201 Cb 0.10 -0.68 -0.02 0.00 -0.02 0.00 0.00 41.12 40.50 2c8m n ASP 201 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2c8m n PHE 202 N -1.96 0.00 -4.04 1.24 3.72 -0.28 -5.04 117.46 111.09 2c8m n PHE 202 Ca 0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.32 2c8m n PHE 202 Cb 0.32 -0.22 -0.12 0.00 -0.94 0.00 0.00 39.48 38.52 2c8m n PHE 202 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2c8m s VAL 203 N -2.11 0.33 -0.82 -4.37 -7.23 -0.78 -5.05 120.40 100.36 2c8m s VAL 203 Ca -0.08 -0.66 -0.23 0.00 -1.81 0.00 0.00 61.98 59.20 2c8m s VAL 203 Cb 0.02 -0.37 0.07 0.00 0.56 0.00 0.00 36.38 36.66 2c8m s VAL 203 CO 0.12 -0.22 1.20 -0.62 -0.31 0.00 0.00 175.10 175.27 2c8m s ASP 204 N -0.94 6.34 0.03 4.85 2.15 -1.26 -3.99 116.67 123.84 2c8m s ASP 204 Ca -0.07 -1.17 -0.02 0.00 0.43 0.00 0.00 52.55 51.73 2c8m s ASP 204 Cb -0.06 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 2c8m s ASP 204 CO -0.00 -1.49 0.01 0.68 -0.17 0.00 0.00 175.17 174.20 2c8m s VAL 205 N 4.47 0.13 0.48 1.11 -7.23 -1.26 -5.13 120.40 112.97 2c8m s VAL 205 Ca 0.34 -1.10 -0.02 0.00 -1.81 0.00 0.00 61.98 59.39 2c8m s VAL 205 Cb -0.08 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.22 2c8m s VAL 205 CO 0.03 -0.61 0.73 -0.94 -0.31 0.00 0.00 175.10 174.00 2c8m s SER 206 N -1.86 5.85 0.27 4.85 1.04 -1.26 -4.89 113.70 117.69 2c8m s SER 206 Ca -0.09 0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.79 2c8m s SER 206 Cb -0.05 -1.68 0.50 0.00 0.10 0.00 0.00 66.02 64.90 2c8m s SER 206 CO -0.03 -0.75 1.82 0.40 0.98 0.00 0.00 173.24 175.66 2c8m h ILE 207 N 0.26 0.89 -0.67 -1.02 1.08 -1.98 -1.48 117.51 114.59 2c8m h ILE 207 Ca -0.46 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 2c8m h ILE 207 Cb 1.25 -0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 2c8m h ILE 207 CO 0.59 0.16 0.37 0.44 -0.69 0.00 0.00 178.15 179.02 2c8m h ASP 208 N 0.88 0.84 -0.47 1.72 3.32 -1.98 0.64 116.42 121.37 2c8m h ASP 208 Ca 0.46 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.40 2c8m h ASP 208 Cb 0.47 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2c8m h ASP 208 CO -0.27 0.69 0.23 -0.33 -1.72 0.00 0.00 179.24 177.84 2c8m h GLU 209 N 0.92 0.67 -0.14 3.56 5.08 -1.75 0.10 114.58 123.02 2c8m h GLU 209 Ca 0.24 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2c8m h GLU 209 Cb 0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2c8m h GLU 209 CO -0.04 0.56 0.04 0.28 -1.00 0.00 0.00 179.01 178.85 2c8m h VAL 210 N 0.61 0.96 -0.75 3.13 2.07 -1.02 -0.41 116.25 120.85 2c8m h VAL 210 Ca 0.16 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.70 2c8m h VAL 210 Cb 0.11 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 2c8m h VAL 210 CO -0.02 0.02 0.45 -0.09 0.02 0.00 0.00 177.57 177.95 2c8m h ARG 211 N 0.11 0.81 -0.37 1.57 2.43 -0.61 -0.76 114.38 117.56 2c8m h ARG 211 Ca 0.06 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 2c8m h ARG 211 Cb 0.04 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2c8m h ARG 211 CO -0.07 0.54 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.80 2c8m h ASN 212 N 0.83 0.74 -0.36 -3.80 2.35 -0.43 -0.72 115.58 114.20 2c8m h ASN 212 Ca 0.32 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2c8m h ASN 212 Cb 0.15 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2c8m h ASN 212 CO -0.16 0.94 0.08 0.00 -1.65 0.00 0.00 177.43 176.64 2c8m h ALA 213 N 1.12 0.47 -0.72 -0.83 0.00 -0.61 -2.11 119.26 116.58 2c8m h ALA 213 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2c8m h ALA 213 Cb 0.72 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2c8m h ALA 213 CO 0.06 0.14 0.45 -0.07 0.00 0.00 0.00 179.25 179.82 2c8m h LEU 214 N 0.42 0.85 -0.32 0.00 3.38 -0.90 0.22 115.31 118.97 2c8m h LEU 214 Ca 0.11 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2c8m h LEU 214 Cb 0.31 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2c8m h LEU 214 CO 0.00 0.65 0.09 0.40 0.09 0.00 0.00 178.44 179.67 2c8m h ILE 215 N 0.98 0.89 -0.28 1.22 2.04 -0.98 0.68 117.51 122.05 2c8m h ILE 215 Ca 0.26 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.94 2c8m h ILE 215 Cb -0.06 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2c8m h ILE 215 CO -0.05 0.04 -0.22 -0.09 0.00 0.00 0.00 178.15 177.83 2c8m h ARG 216 N 0.22 0.64 -0.57 2.37 2.43 -1.06 -1.22 114.38 117.20 2c8m h ARG 216 Ca 0.15 -0.32 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 2c8m h ARG 216 Cb 0.13 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2c8m h ARG 216 CO -0.17 0.91 0.13 0.78 -1.51 0.00 0.00 179.97 180.12 2c8m h GLY 217 N 0.38 0.99 1.42 2.80 0.00 -0.42 0.11 103.07 108.35 2c8m h GLY 217 Ca 0.05 -0.63 -0.15 0.00 0.00 0.00 0.00 47.33 46.61 2c8m h GLY 217 CO 0.06 0.58 -0.44 0.74 0.00 0.00 0.00 176.54 177.48 2c8m h PHE 218 N 0.82 0.77 -0.25 5.60 -1.00 -0.86 -0.76 116.94 121.25 2c8m h PHE 218 Ca 0.18 -0.24 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 2c8m h PHE 218 Cb 0.36 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 2c8m h PHE 218 CO 0.03 0.96 0.09 0.77 -1.61 0.00 0.00 178.31 178.55 2c8m h SER 219 N 0.51 0.36 -0.44 2.17 0.02 -0.92 -0.78 113.55 114.49 2c8m h SER 219 Ca 0.03 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.69 2c8m h SER 219 Cb 0.97 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 2c8m h SER 219 CO 0.09 0.45 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.74 2c8m h GLU 220 N 0.25 0.88 -0.10 3.45 5.08 -0.90 -0.40 114.58 122.84 2c8m h GLU 220 Ca 0.08 -0.36 -0.23 0.00 -1.00 0.00 0.00 59.36 57.85 2c8m h GLU 220 Cb 0.21 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2c8m h GLU 220 CO -0.00 1.01 -0.85 1.15 -1.00 0.00 0.00 179.01 179.31 2c8m h THR 221 N 0.71 1.29 -0.00 1.13 2.02 -1.10 -3.26 112.91 113.70 2c8m h THR 221 Ca 0.10 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.20 2c8m h THR 221 Cb 0.71 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 2c8m h THR 221 CO 0.05 0.65 -0.59 0.18 0.37 0.00 0.00 175.52 176.18 2c8m n LEU 222 N -3.89 0.66 -3.58 2.58 4.77 -0.30 -4.96 117.00 112.27 2c8m n LEU 222 Ca -0.08 -0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.55 2c8m n LEU 222 Cb 0.78 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.76 2c8m n LEU 222 CO 0.53 0.16 0.15 1.41 -1.33 0.00 0.00 177.39 178.31 2c8m n HIS 223 N -1.43 -2.45 -4.86 -1.77 8.25 -0.21 -5.02 115.22 107.73 2c8m n HIS 223 Ca 0.06 0.96 -0.25 0.00 -0.26 0.00 0.00 57.72 58.22 2c8m n HIS 223 Cb 0.34 -4.88 -0.15 0.00 1.12 0.00 0.00 29.99 26.41 2c8m n HIS 223 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2c8m s ILE 224 N -3.37 1.46 -0.49 1.59 1.01 -0.90 -3.44 121.20 117.05 2c8m s ILE 224 Ca 0.31 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 2c8m s ILE 224 Cb -0.14 -1.21 0.10 0.00 0.01 0.00 0.00 42.46 41.22 2c8m s ILE 224 CO 0.75 0.39 0.41 -1.81 0.00 0.00 0.00 174.94 174.68 2c8m s ASP 225 N -0.48 6.03 -0.62 3.58 1.01 0.09 -4.24 116.67 122.03 2c8m s ASP 225 Ca 0.07 -1.61 -0.27 0.00 0.71 0.00 0.00 52.55 51.45 2c8m s ASP 225 Cb -0.07 -2.14 0.03 0.00 1.01 0.00 0.00 42.92 41.75 2c8m s ASP 225 CO -0.01 -0.72 1.16 -0.36 0.21 0.00 0.00 175.17 175.46 2c8m s PHE 226 N 1.56 2.55 -0.05 4.23 0.08 -1.26 -0.12 117.98 124.98 2c8m s PHE 226 Ca 0.04 0.17 -0.10 0.00 0.12 0.00 0.00 56.93 57.15 2c8m s PHE 226 Cb -0.27 -4.46 -0.05 0.00 -0.57 0.00 0.00 43.02 37.67 2c8m s PHE 226 CO 0.04 -1.68 0.28 1.03 -0.10 0.00 0.00 175.22 174.78 2c8m s ARG 227 N 4.96 3.67 0.27 0.44 1.81 -0.83 -4.55 118.95 124.71 2c8m s ARG 227 Ca 0.38 0.11 -0.30 0.00 -1.72 0.00 0.00 55.73 54.19 2c8m s ARG 227 Cb -0.09 -3.18 -0.12 0.00 -0.45 0.00 0.00 34.95 31.11 2c8m s ARG 227 CO 0.21 0.72 1.51 -1.91 -0.68 0.00 0.00 175.30 175.15 2c8m n GLU 228 N 1.76 2.41 -4.05 3.54 2.13 -1.26 -0.49 120.64 124.68 2c8m n GLU 228 Ca -0.16 0.86 -0.10 0.00 0.66 0.00 0.00 57.16 58.42 2c8m n GLU 228 Cb 0.54 -2.58 -0.07 0.00 0.27 0.00 0.00 31.44 29.59 2c8m n GLU 228 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2c8m s ASP 229 N 0.39 0.01 0.33 4.31 2.15 -0.36 -4.79 116.67 118.72 2c8m s ASP 229 Ca 0.65 -1.05 0.08 0.00 0.43 0.00 0.00 52.55 52.66 2c8m s ASP 229 Cb -0.56 0.49 -0.03 0.00 -0.30 0.00 0.00 42.92 42.52 2c8m s ASP 229 CO 0.49 -0.99 0.23 0.42 -0.17 0.00 0.00 175.17 175.15 2c8m s THR 230 N -4.05 3.43 0.61 1.71 -4.23 -1.26 -4.57 115.64 107.28 2c8m s THR 230 Ca 0.26 -1.49 -0.16 0.00 -1.18 0.00 0.00 61.69 59.13 2c8m s THR 230 Cb 0.03 -3.12 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 2c8m s THR 230 CO 0.08 -0.19 1.08 0.27 -0.54 0.00 0.00 174.62 175.31 2c8m s ILE 231 N -2.33 3.60 0.63 2.99 -4.36 -1.26 -5.04 121.20 115.43 2c8m s ILE 231 Ca 0.39 0.76 -0.09 0.00 -0.26 0.00 0.00 60.65 61.45 2c8m s ILE 231 Cb -0.05 -3.29 -0.01 0.00 1.25 0.00 0.00 42.46 40.36 2c8m s ILE 231 CO 0.25 -0.45 1.00 0.42 0.24 0.00 0.00 174.94 176.40 2c8m s THR 232 N -2.40 4.11 0.31 8.37 -4.23 -1.26 -4.89 115.64 115.65 2c8m s THR 232 Ca 0.65 0.48 0.02 0.00 -1.18 0.00 0.00 61.69 61.65 2c8m s THR 232 Cb -0.18 -3.65 0.28 0.00 1.34 0.00 0.00 72.50 70.30 2c8m s THR 232 CO 0.38 -0.79 1.90 -0.33 -0.54 0.00 0.00 174.62 175.24 2c8m h GLU 233 N -0.33 0.95 -0.27 3.99 5.08 -1.99 -0.31 114.58 121.71 2c8m h GLU 233 Ca -0.45 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 2c8m h GLU 233 Cb 1.23 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2c8m h GLU 233 CO 0.62 0.63 0.07 -0.22 -1.00 0.00 0.00 179.01 179.11 2c8m h LYS 234 N 0.98 0.42 -0.60 2.33 3.64 -1.99 -0.47 116.57 120.88 2c8m h LYS 234 Ca 0.40 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2c8m h LYS 234 Cb 0.27 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2c8m h LYS 234 CO -0.16 0.51 0.34 0.93 -2.27 0.00 0.00 179.45 178.80 2c8m h GLU 235 N 0.26 0.83 -0.23 1.90 5.08 -1.78 -1.61 114.58 119.03 2c8m h GLU 235 Ca 0.08 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2c8m h GLU 235 Cb 0.27 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2c8m h GLU 235 CO 0.00 0.62 0.06 1.49 -1.00 0.00 0.00 179.01 180.18 2c8m h GLU 236 N 0.82 0.37 -0.34 2.33 4.57 -0.99 -1.27 114.58 120.06 2c8m h GLU 236 Ca 0.21 -0.09 -0.10 0.00 -1.18 0.00 0.00 59.36 58.21 2c8m h GLU 236 Cb 0.03 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 2c8m h GLU 236 CO -0.04 0.48 -0.19 0.66 -1.18 0.00 0.00 179.01 178.75 2c8m h SER 237 N 0.20 0.63 -0.46 1.04 4.64 -1.00 -1.08 113.55 117.52 2c8m h SER 237 Ca 0.07 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 61.12 2c8m h SER 237 Cb 0.28 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2c8m h SER 237 CO 0.00 0.82 0.02 0.25 -0.87 0.00 0.00 176.83 177.06 2c8m h LEU 238 N 0.57 0.77 -0.71 5.97 5.85 -1.23 -1.61 115.31 124.92 2c8m h LEU 238 Ca 0.09 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.53 2c8m h LEU 238 Cb 0.64 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2c8m h LEU 238 CO 0.04 0.88 0.47 0.00 -0.34 0.00 0.00 178.44 179.49 2c8m h ALA 239 N 0.92 0.91 -0.62 1.25 0.00 -0.89 0.85 119.26 121.68 2c8m h ALA 239 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2c8m h ALA 239 Cb 0.47 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2c8m h ALA 239 CO 0.02 0.31 0.27 0.07 0.00 0.00 0.00 179.25 179.92 2c8m h ARG 240 N 0.95 0.92 -0.34 0.00 -0.00 -1.12 -0.38 114.38 114.42 2c8m h ARG 240 Ca 0.26 -0.15 -0.00 0.00 -0.00 0.00 0.00 59.98 60.09 2c8m h ARG 240 Cb -0.10 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.97 29.70 2c8m h ARG 240 CO -0.06 0.76 0.20 1.49 -0.00 0.00 0.00 179.97 182.36 2c8m h GLU 241 N 0.87 0.45 -0.68 0.08 4.81 -0.79 0.11 114.58 119.43 2c8m h GLU 241 Ca 0.21 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2c8m h GLU 241 Cb 0.17 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2c8m h GLU 241 CO -0.02 0.34 0.28 -0.07 -0.73 0.00 0.00 179.01 178.81 2c8m h LEU 242 N 0.44 0.91 0.10 1.64 3.38 -0.65 0.40 115.31 121.53 2c8m h LEU 242 Ca 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2c8m h LEU 242 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2c8m h LEU 242 CO -0.02 0.81 -0.05 0.15 0.09 0.00 0.00 178.44 179.42 2c8m h PHE 243 N 0.98 -0.13 -0.57 1.13 3.57 -0.88 0.21 116.94 121.26 2c8m h PHE 243 Ca 0.23 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.80 2c8m h PHE 243 Cb 0.17 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 2c8m h PHE 243 CO 0.01 0.30 0.25 -0.44 -2.23 0.00 0.00 178.31 176.20 2c8m h ASP 244 N -0.59 0.31 0.71 0.41 3.32 -0.61 -0.85 116.42 119.12 2c8m h ASP 244 Ca -0.01 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2c8m h ASP 244 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2c8m h ASP 244 CO 0.02 0.20 -1.09 0.29 -1.72 0.00 0.00 179.24 176.95 2c8m n LYS 245 N -4.93 0.49 0.04 3.56 4.01 0.11 -4.72 118.16 116.73 2c8m n LYS 245 Ca 0.07 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2c8m n LYS 245 Cb 0.21 -1.71 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 2c8m n LYS 245 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2c8m n LYS 246 N -2.37 0.00 0.24 1.97 4.81 -0.11 -4.88 118.16 117.82 2c8m n LYS 246 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 2c8m n LYS 246 Cb 0.51 -0.03 0.59 0.00 0.02 0.00 0.00 35.03 36.12 2c8m n LYS 246 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2c8m h TYR 247 N 0.00 0.00 0.00 5.64 0.05 -1.04 -1.36 116.97 120.26 2c8m h TYR 247 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2c8m h TYR 247 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2c8m h TYR 247 CO 0.00 0.19 0.00 -1.13 -1.05 0.00 0.00 178.16 176.17 2c8m n SER 248 N -3.86 0.00 -4.88 3.88 3.41 -0.33 -4.83 113.62 107.00 2c8m n SER 248 Ca -0.02 0.49 -0.32 0.00 -0.26 0.00 0.00 58.87 58.76 2c8m n SER 248 Cb 0.29 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 2c8m n SER 248 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2c8m s THR 249 N -2.99 5.06 0.34 6.66 -4.23 -0.51 -4.99 115.64 114.98 2c8m s THR 249 Ca 0.12 0.25 0.10 0.00 -1.18 0.00 0.00 61.69 60.99 2c8m s THR 249 Cb 0.16 -3.62 0.07 0.00 1.34 0.00 0.00 72.50 70.45 2c8m s THR 249 CO 0.45 0.02 1.77 -0.33 -0.54 0.00 0.00 174.62 176.00 2c8m h GLU 250 N 2.82 0.11 -0.40 3.99 4.39 -1.90 -2.86 114.58 120.73 2c8m h GLU 250 Ca -0.47 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.18 2c8m h GLU 250 Cb 1.17 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 2c8m h GLU 250 CO 0.71 0.48 0.23 0.93 -1.16 0.00 0.00 179.01 180.20 2c8m h GLU 251 N 0.10 0.55 0.25 2.33 3.07 -1.91 0.35 114.58 119.32 2c8m h GLU 251 Ca 0.01 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2c8m h GLU 251 Cb 0.72 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2c8m h GLU 251 CO 0.05 0.43 -0.12 2.35 -1.40 0.00 0.00 179.01 180.32 2c8m h TRP 252 N 0.52 -0.31 -0.06 4.33 2.91 -1.76 0.15 115.95 121.74 2c8m h TRP 252 Ca 0.14 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.09 2c8m h TRP 252 Cb 0.03 0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 2c8m h TRP 252 CO -0.03 -0.11 -0.21 -0.91 -1.03 0.00 0.00 178.44 176.15 2c8m h ASN 253 N -0.45 0.29 0.57 2.65 4.21 -1.27 -3.26 115.58 118.32 2c8m h ASN 253 Ca -0.03 -0.63 0.00 0.00 1.21 0.00 0.00 56.30 56.84 2c8m h ASN 253 Cb 0.34 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 2c8m h ASN 253 CO 0.06 0.87 -0.76 0.23 -1.29 0.00 0.00 177.43 176.54 2c8m n MET 254 N -4.54 0.20 -1.91 0.81 2.81 0.12 -4.63 117.12 109.98 2c8m n MET 254 Ca -0.08 0.03 -0.03 0.00 -1.81 0.00 0.00 57.70 55.80 2c8m n MET 254 Cb 0.44 -1.59 -0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2c8m n MET 254 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c8m n GLY 255 N 1.40 0.30 0.00 3.03 0.00 0.50 -4.78 105.19 105.63 2c8m n GLY 255 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2c8m n GLY 255 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36