#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tmd s ARG 2 N 0.00 4.23 0.05 0.00 3.52 -1.26 -4.54 118.95 120.95 2tmd s ARG 2 Ca 0.00 2.26 -0.36 0.00 -0.13 0.00 0.00 55.73 57.50 2tmd s ARG 2 Cb 0.00 -3.39 -0.15 0.00 -1.56 0.00 0.00 34.95 29.84 2tmd s ARG 2 CO 0.00 -0.62 1.51 -3.47 -0.81 0.00 0.00 175.30 171.91 2tmd n ASP 3 N 4.77 2.33 0.07 -2.12 -0.08 -1.26 -4.87 116.55 115.38 2tmd n ASP 3 Ca 0.14 1.09 0.13 0.00 -1.51 0.00 0.00 54.79 54.64 2tmd n ASP 3 Cb 0.40 -1.27 0.60 0.00 2.34 0.00 0.00 41.12 43.20 2tmd n ASP 3 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2tmd h PRO 4 N 5.71 0.14 -0.81 -0.67 0.11 -2.01 0.15 132.00 134.62 2tmd h PRO 4 Ca -0.47 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 65.87 2tmd h PRO 4 Cb 1.30 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 2tmd h PRO 4 CO 0.85 0.10 0.58 0.87 -0.21 0.00 0.00 178.00 180.18 2tmd h LYS 5 N 0.15 0.02 -0.49 1.05 1.57 -2.03 -0.57 116.57 116.26 2tmd h LYS 5 Ca 0.16 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2tmd h LYS 5 Cb 0.45 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2tmd h LYS 5 CO -0.02 0.01 0.00 0.72 -0.57 0.00 0.00 179.45 179.59 2tmd n HIS 6 N -4.31 0.69 -0.03 -1.35 8.25 0.04 -4.18 115.22 114.33 2tmd n HIS 6 Ca 0.16 -0.30 -0.05 0.00 -0.26 0.00 0.00 57.72 57.27 2tmd n HIS 6 Cb 0.86 -0.07 0.16 0.00 1.12 0.00 0.00 29.99 32.06 2tmd n HIS 6 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2tmd h ASP 7 N 2.38 0.61 -1.00 0.41 5.19 -1.22 -2.85 116.42 119.94 2tmd h ASP 7 Ca 0.00 -0.20 0.19 0.00 -0.62 0.00 0.00 57.03 56.40 2tmd h ASP 7 Cb 0.72 -0.17 -0.10 0.00 0.18 0.00 0.00 39.33 39.96 2tmd h ASP 7 CO 0.06 0.82 0.61 0.16 -3.12 0.00 0.00 179.24 177.77 2tmd h ILE 8 N 0.54 0.70 -0.00 0.35 3.07 -1.81 -0.75 117.51 119.62 2tmd h ILE 8 Ca 0.08 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.24 2tmd h ILE 8 Cb 0.66 -0.11 -0.00 0.00 -0.27 0.00 0.00 36.82 37.10 2tmd h ILE 8 CO 0.05 0.14 0.13 -0.07 -1.05 0.00 0.00 178.15 177.35 2tmd h LEU 9 N 0.74 0.00 -3.17 0.16 4.07 -1.81 -1.41 115.31 113.89 2tmd h LEU 9 Ca 0.58 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.54 2tmd h LEU 9 Cb 0.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.67 2tmd h LEU 9 CO -0.37 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.48 2tmd n PHE 10 N -3.01 0.64 -3.06 1.13 3.72 -0.29 -0.74 117.46 115.85 2tmd n PHE 10 Ca -0.03 -0.90 -0.39 0.00 -0.05 0.00 0.00 57.45 56.08 2tmd n PHE 10 Cb 0.19 -0.26 -0.05 0.00 -0.94 0.00 0.00 39.48 38.42 2tmd n PHE 10 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2tmd s GLU 11 N -2.79 4.43 0.67 -1.08 2.02 -0.53 -4.70 118.70 116.72 2tmd s GLU 11 Ca 0.38 0.95 -0.16 0.00 0.02 0.00 0.00 54.97 56.17 2tmd s GLU 11 Cb 0.32 -3.35 0.01 0.00 0.10 0.00 0.00 34.13 31.21 2tmd s GLU 11 CO 0.07 0.34 1.17 -1.25 0.02 0.00 0.00 175.26 175.61 2tmd s PRO 12 N -0.20 2.57 -0.01 0.39 0.04 -1.24 -3.86 135.00 132.69 2tmd s PRO 12 Ca 0.36 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2tmd s PRO 12 Cb -0.20 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.46 2tmd s PRO 12 CO 0.21 -1.48 0.01 -1.50 0.04 0.00 0.00 177.00 174.28 2tmd s ILE 13 N -2.04 0.04 -0.20 0.56 2.07 -0.78 -4.97 121.20 115.88 2tmd s ILE 13 Ca 0.72 0.07 -0.19 0.00 -1.41 0.00 0.00 60.65 59.84 2tmd s ILE 13 Cb -0.26 -0.11 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 2tmd s ILE 13 CO 0.41 0.06 0.55 -1.10 -1.91 0.00 0.00 174.94 172.95 2tmd s GLN 14 N 0.53 4.19 -0.32 3.50 -1.52 -1.26 -0.08 119.66 124.70 2tmd s GLN 14 Ca -0.05 0.47 0.01 0.00 -1.95 0.00 0.00 55.36 53.84 2tmd s GLN 14 Cb -0.07 -3.57 0.08 0.00 -0.22 0.00 0.00 33.01 29.23 2tmd s GLN 14 CO -0.01 -0.17 0.02 0.96 -0.25 0.00 0.00 175.29 175.83 2tmd s ILE 15 N 1.71 2.56 0.00 1.08 -4.36 0.12 -4.89 121.20 117.42 2tmd s ILE 15 Ca 0.25 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 2tmd s ILE 15 Cb -0.16 -2.67 0.00 0.00 1.25 0.00 0.00 42.46 40.89 2tmd s ILE 15 CO 0.10 -0.35 0.00 0.61 0.24 0.00 0.00 174.94 175.54 2tmd n GLY 16 N 4.44 3.49 0.05 6.27 0.00 -1.26 -0.91 105.19 117.26 2tmd n GLY 16 Ca -0.06 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.91 2tmd n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2tmd n PRO 17 N 14.00 1.07 -4.43 1.61 -0.04 -1.26 -4.86 135.00 141.09 2tmd n PRO 17 Ca 0.00 -0.10 -0.25 0.00 -0.04 0.00 0.00 63.50 63.11 2tmd n PRO 17 Cb 0.00 -1.23 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 2tmd n PRO 17 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2tmd s LYS 18 N -1.98 1.72 -0.12 0.54 -0.14 -0.09 -4.99 119.74 114.68 2tmd s LYS 18 Ca 0.22 -1.63 0.00 0.00 -1.36 0.00 0.00 55.97 53.21 2tmd s LYS 18 Cb 0.10 -1.86 0.02 0.00 -1.68 0.00 0.00 37.83 34.42 2tmd s LYS 18 CO 0.17 0.36 -0.12 0.99 -0.76 0.00 0.00 175.35 175.99 2tmd s THR 19 N -2.18 1.35 -0.02 2.17 2.01 -1.26 0.15 115.64 117.85 2tmd s THR 19 Ca 0.27 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 2tmd s THR 19 Cb -0.06 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 2tmd s THR 19 CO 0.14 0.42 1.10 -0.76 -0.69 0.00 0.00 174.62 174.83 2tmd s LEU 20 N 1.40 4.32 0.50 4.42 1.43 0.89 -4.93 118.68 126.70 2tmd s LEU 20 Ca 0.01 1.76 0.25 0.00 -1.03 0.00 0.00 54.13 55.13 2tmd s LEU 20 Cb -0.13 -3.57 1.30 0.00 0.03 0.00 0.00 46.19 43.82 2tmd s LEU 20 CO -0.07 -0.44 2.02 0.08 0.23 0.00 0.00 176.35 178.16 2tmd h ARG 21 N 7.05 0.00 0.00 1.70 0.11 -1.86 -2.08 114.38 119.30 2tmd h ARG 21 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.71 2tmd h ARG 21 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2tmd h ARG 21 CO 0.82 0.16 0.00 0.27 0.10 0.00 0.00 179.97 181.32 2tmd n ASN 22 N -3.67 0.00 -0.85 0.08 0.23 -1.26 -3.62 115.26 106.18 2tmd n ASN 22 Ca -0.02 -0.84 0.11 0.00 -0.53 0.00 0.00 54.58 53.30 2tmd n ASN 22 Cb 0.28 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.26 2tmd n ASN 22 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2tmd n ARG 23 N 0.00 2.10 -3.40 -3.83 3.00 0.08 -4.73 116.66 109.88 2tmd n ARG 23 Ca 0.00 -1.67 -0.38 0.00 -0.01 0.00 0.00 57.85 55.79 2tmd n ARG 23 Cb 0.00 -1.44 -0.08 0.00 0.00 0.00 0.00 32.46 30.94 2tmd n ARG 23 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2tmd s PHE 24 N -1.61 3.34 -0.07 -1.55 0.08 -1.26 -0.17 117.98 116.74 2tmd s PHE 24 Ca 0.35 0.55 -0.01 0.00 0.12 0.00 0.00 56.93 57.93 2tmd s PHE 24 Cb 0.19 -2.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.14 2tmd s PHE 24 CO 0.28 -0.07 0.00 -0.47 -0.10 0.00 0.00 175.22 174.86 2tmd s TYR 25 N 1.51 0.63 -0.48 0.36 6.14 0.32 -0.08 117.35 125.75 2tmd s TYR 25 Ca 0.18 -0.14 -0.23 0.00 0.64 0.00 0.00 57.07 57.51 2tmd s TYR 25 Cb -0.15 -0.78 0.03 0.00 0.42 0.00 0.00 41.96 41.49 2tmd s TYR 25 CO 0.08 -0.32 0.84 -1.14 0.64 0.00 0.00 175.55 175.65 2tmd s GLN 26 N 1.97 3.39 0.82 4.97 0.74 -0.66 -0.52 119.66 130.36 2tmd s GLN 26 Ca 0.05 -0.15 -0.11 0.00 0.05 0.00 0.00 55.36 55.20 2tmd s GLN 26 Cb -0.12 -3.97 0.09 0.00 1.10 0.00 0.00 33.01 30.10 2tmd s GLN 26 CO -0.05 -1.23 1.10 0.14 -0.55 0.00 0.00 175.29 174.70 2tmd s VAL 27 N 3.49 2.99 0.23 1.34 -7.23 -0.87 -3.18 120.40 117.18 2tmd s VAL 27 Ca 0.30 0.32 -0.32 0.00 -1.81 0.00 0.00 61.98 60.48 2tmd s VAL 27 Cb -0.12 -2.71 -0.12 0.00 0.56 0.00 0.00 36.38 33.98 2tmd s VAL 27 CO 0.22 -0.42 1.61 -2.65 -0.31 0.00 0.00 175.10 173.55 2tmd n PRO 28 N -3.72 2.54 -3.68 4.82 -0.02 -1.26 -4.60 135.00 129.08 2tmd n PRO 28 Ca 0.09 0.91 -0.12 0.00 -2.02 0.00 0.00 63.50 62.36 2tmd n PRO 28 Cb 0.53 -2.70 -0.09 0.00 -0.02 0.00 0.00 33.50 31.23 2tmd n PRO 28 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2tmd s HIS 29 N 0.55 -0.66 0.59 6.00 -3.43 -1.22 -4.89 115.29 112.22 2tmd s HIS 29 Ca 0.71 1.53 -0.18 0.00 -0.80 0.00 0.00 55.06 56.32 2tmd s HIS 29 Cb -0.55 0.26 -0.07 0.00 -1.43 0.00 0.00 32.58 30.79 2tmd s HIS 29 CO 0.41 -0.32 0.74 0.00 -2.00 0.00 0.00 174.74 173.57 2tmd n ILE 31 N -1.72 0.00 -2.40 0.00 -5.35 -1.26 -4.99 119.36 103.63 2tmd n ILE 31 Ca 0.13 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.55 2tmd n ILE 31 Cb 0.47 1.50 0.01 0.00 -1.74 0.00 0.00 39.64 39.89 2tmd n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2tmd n GLY 32 N 0.00 0.35 1.08 3.28 0.00 -1.26 -1.95 105.19 106.69 2tmd n GLY 32 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2tmd n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd n ALA 33 N -2.10 3.00 -0.83 4.61 0.00 -1.26 -4.59 120.51 119.34 2tmd n ALA 33 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2tmd n ALA 33 Cb 0.53 0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.44 2tmd n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tmd n GLY 34 N 2.88 2.94 0.91 0.00 0.00 -1.26 -1.26 105.19 109.40 2tmd n GLY 34 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.84 2tmd n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2tmd n SER 35 N 1.68 3.13 -0.01 1.61 7.64 -1.26 -4.43 113.62 121.98 2tmd n SER 35 Ca 0.00 -1.91 -0.05 0.00 1.01 0.00 0.00 58.87 57.92 2tmd n SER 35 Cb 0.00 -0.24 -0.12 0.00 -1.01 0.00 0.00 64.21 62.84 2tmd n SER 35 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2tmd n ASP 36 N 1.08 0.77 -3.72 6.43 9.92 -0.82 -4.56 116.55 125.64 2tmd n ASP 36 Ca 0.16 0.36 -0.28 0.00 -0.53 0.00 0.00 54.79 54.50 2tmd n ASP 36 Cb 0.50 0.15 -0.11 0.00 -0.64 0.00 0.00 41.12 41.02 2tmd n ASP 36 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2tmd n LYS 37 N -2.95 2.04 0.18 -1.24 4.01 -0.39 -4.87 118.16 114.93 2tmd n LYS 37 Ca -0.16 -4.52 0.03 0.00 -0.51 0.00 0.00 58.31 53.15 2tmd n LYS 37 Cb 0.98 -2.26 0.32 0.00 -0.51 0.00 0.00 35.03 33.57 2tmd n LYS 37 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2tmd h PRO 38 N 4.96 0.00 -0.24 1.97 0.13 -1.85 -1.34 132.00 135.63 2tmd h PRO 38 Ca 0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 2tmd h PRO 38 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2tmd h PRO 38 CO 0.75 0.43 -0.03 0.78 -0.23 0.00 0.00 178.00 179.70 2tmd h GLY 39 N 1.59 0.49 0.97 1.56 0.00 -1.93 -0.44 103.07 105.30 2tmd h GLY 39 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2tmd h GLY 39 CO 0.06 0.35 -0.13 -2.75 0.00 0.00 0.00 176.54 174.06 2tmd h PHE 40 N 0.20 -0.34 -0.09 5.60 3.04 -1.88 0.39 116.94 123.87 2tmd h PHE 40 Ca 0.06 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.03 2tmd h PHE 40 Cb 0.47 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.07 2tmd h PHE 40 CO 0.04 -0.21 -0.07 0.37 -2.02 0.00 0.00 178.31 176.43 2tmd h GLN 41 N -0.35 -0.07 -0.13 1.11 5.75 -1.30 -0.00 115.11 120.12 2tmd h GLN 41 Ca -0.03 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2tmd h GLN 41 Cb 0.28 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 2tmd h GLN 41 CO 0.04 -0.05 0.03 1.03 -2.65 0.00 0.00 178.83 177.23 2tmd h SER 42 N -0.07 0.01 -0.23 -0.69 0.87 -0.85 -2.62 113.55 109.96 2tmd h SER 42 Ca 0.06 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.55 2tmd h SER 42 Cb 0.16 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2tmd h SER 42 CO -0.14 0.03 -0.20 0.00 -0.53 0.00 0.00 176.83 175.99 2tmd h ALA 43 N 1.09 0.34 -0.46 6.23 0.00 -0.01 -2.11 119.26 124.34 2tmd h ALA 43 Ca 0.06 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2tmd h ALA 43 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2tmd h ALA 43 CO -0.07 0.27 -0.07 1.25 0.00 0.00 0.00 179.25 180.63 2tmd h HIS 44 N 0.25 0.88 0.14 0.00 6.17 -0.95 -2.25 115.15 119.39 2tmd h HIS 44 Ca 0.04 -0.15 -0.29 0.00 0.71 0.00 0.00 60.37 60.68 2tmd h HIS 44 Cb 0.74 -0.23 0.02 0.00 2.52 0.00 0.00 27.41 30.46 2tmd h HIS 44 CO 0.07 0.85 -1.25 0.00 0.71 0.00 0.00 177.93 178.31 2tmd h ARG 45 N 0.74 0.42 -0.03 5.26 2.47 -1.47 -3.33 114.38 118.44 2tmd h ARG 45 Ca 0.13 -0.63 -0.15 0.00 -1.26 0.00 0.00 59.98 58.07 2tmd h ARG 45 Cb 0.56 0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 29.08 2tmd h ARG 45 CO 0.03 1.28 -0.67 0.66 0.56 0.00 0.00 179.97 181.83 2tmd h SER 46 N 0.15 0.15 0.28 7.04 4.64 -1.27 -1.53 113.55 123.01 2tmd h SER 46 Ca -0.16 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 2tmd h SER 46 Cb 1.95 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.99 2tmd h SER 46 CO 0.22 0.78 -0.16 -0.37 -0.87 0.00 0.00 176.83 176.43 2tmd h VAL 47 N 0.09 0.84 -0.03 0.95 -1.51 -1.55 0.11 116.25 115.14 2tmd h VAL 47 Ca -0.01 -0.60 -0.21 0.00 -1.23 0.00 0.00 66.70 64.65 2tmd h VAL 47 Cb 1.20 1.35 -0.00 0.00 -2.13 0.00 0.00 31.29 31.71 2tmd h VAL 47 CO 0.10 0.15 -0.86 0.11 -1.23 0.00 0.00 177.57 175.85 2tmd h LYS 48 N 0.00 0.39 -0.63 5.19 1.57 -1.50 -1.70 116.57 119.88 2tmd h LYS 48 Ca -0.00 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.34 2tmd h LYS 48 Cb 0.34 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2tmd h LYS 48 CO 0.02 1.04 0.14 0.00 -0.57 0.00 0.00 179.45 180.09 2tmd h ALA 49 N 0.84 0.84 0.00 3.86 0.00 -0.00 -1.78 119.26 123.01 2tmd h ALA 49 Ca -0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2tmd h ALA 49 Cb 1.47 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2tmd h ALA 49 CO 0.15 0.56 -0.18 1.49 0.00 0.00 0.00 179.25 181.27 2tmd h GLU 50 N 0.94 0.00 -0.00 0.00 4.81 -0.86 -2.18 114.58 117.28 2tmd h GLU 50 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2tmd h GLU 50 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2tmd h GLU 50 CO 0.00 0.18 -0.01 0.41 -0.73 0.00 0.00 179.01 178.86 2tmd n GLY 51 N -0.13 -0.71 0.04 1.92 0.00 -0.65 -4.92 105.19 100.75 2tmd n GLY 51 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2tmd n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tmd n GLY 52 N 1.09 0.93 3.72 -0.02 0.00 -0.82 -1.41 105.19 108.67 2tmd n GLY 52 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2tmd n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2tmd s TRP 53 N -2.01 3.20 0.15 1.61 0.52 -0.93 -4.83 118.94 116.67 2tmd s TRP 53 Ca 0.00 0.89 -0.12 0.00 0.02 0.00 0.00 56.10 56.88 2tmd s TRP 53 Cb 0.00 -3.73 0.03 0.00 -1.15 0.00 0.00 33.47 28.62 2tmd s TRP 53 CO 0.00 -2.59 1.63 0.00 0.02 0.00 0.00 176.95 176.00 2tmd h ALA 54 N 6.81 0.68 -3.40 0.98 0.00 -0.78 -3.42 119.26 120.13 2tmd h ALA 54 Ca -0.42 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.02 2tmd h ALA 54 Cb 1.21 -0.19 -0.25 0.00 0.00 0.00 0.00 17.79 18.56 2tmd h ALA 54 CO 0.87 0.45 -0.71 0.00 0.00 0.00 0.00 179.25 179.86 2tmd s ALA 55 N -5.12 0.08 -0.07 0.00 0.00 -1.25 -0.95 121.76 114.46 2tmd s ALA 55 Ca -0.12 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.56 2tmd s ALA 55 Cb 0.12 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.32 2tmd s ALA 55 CO 0.82 -0.07 -0.07 -0.51 0.00 0.00 0.00 175.76 175.93 2tmd s LEU 56 N -0.67 1.27 0.10 0.00 1.43 -0.20 -1.66 118.68 118.94 2tmd s LEU 56 Ca -0.07 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 2tmd s LEU 56 Cb -0.05 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 2tmd s LEU 56 CO -0.00 -0.07 -0.04 0.20 0.23 0.00 0.00 176.35 176.66 2tmd s ASN 57 N 1.18 4.74 1.07 2.29 0.01 -1.19 -0.32 114.94 122.73 2tmd s ASN 57 Ca -0.06 -0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 51.69 2tmd s ASN 57 Cb -0.14 -1.04 0.23 0.00 0.41 0.00 0.00 41.25 40.71 2tmd s ASN 57 CO -0.02 0.17 1.07 0.42 -1.51 0.00 0.00 177.10 177.24 2tmd s THR 58 N -1.27 2.02 1.06 1.60 -4.23 -0.76 -4.42 115.64 109.64 2tmd s THR 58 Ca 0.24 0.01 -0.18 0.00 -1.18 0.00 0.00 61.69 60.58 2tmd s THR 58 Cb -0.11 -2.34 0.26 0.00 1.34 0.00 0.00 72.50 71.64 2tmd s THR 58 CO 0.16 -0.01 1.03 -1.84 -0.54 0.00 0.00 174.62 173.42 2tmd n GLU 59 N -4.48 -2.57 -1.64 3.99 0.00 -1.23 -3.42 120.64 111.29 2tmd n GLU 59 Ca 0.04 -1.63 -0.48 0.00 0.00 0.00 0.00 57.16 55.09 2tmd n GLU 59 Cb 0.56 -1.42 -0.05 0.00 0.00 0.00 0.00 31.44 30.53 2tmd n GLU 59 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 2tmd n TYR 60 N -4.42 2.02 -3.99 -1.84 4.11 -1.26 -4.29 117.16 107.48 2tmd n TYR 60 Ca 0.14 0.38 -0.33 0.00 -0.00 0.00 0.00 57.90 58.10 2tmd n TYR 60 Cb 0.53 -2.48 -0.14 0.00 -0.00 0.00 0.00 39.34 37.25 2tmd n TYR 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2tmd n SER 62 N 4.44 3.08 0.02 0.00 2.88 -0.03 -0.37 113.62 123.64 2tmd n SER 62 Ca -0.08 1.06 0.13 0.00 -1.33 0.00 0.00 58.87 58.66 2tmd n SER 62 Cb 0.42 -1.40 0.43 0.00 -0.75 0.00 0.00 64.21 62.92 2tmd n SER 62 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2tmd n ILE 63 N 3.71 0.12 -3.59 2.46 -5.35 -0.89 -1.58 119.36 114.25 2tmd n ILE 63 Ca 0.18 -0.07 -0.10 0.00 -0.27 0.00 0.00 62.75 62.50 2tmd n ILE 63 Cb 0.28 -0.26 -0.05 0.00 -1.74 0.00 0.00 39.64 37.87 2tmd n ILE 63 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2tmd s ASN 64 N -3.36 -0.35 0.62 7.28 2.47 -1.26 -4.66 114.94 115.68 2tmd s ASN 64 Ca 0.12 0.43 0.28 0.00 0.42 0.00 0.00 52.86 54.10 2tmd s ASN 64 Cb 0.17 0.35 1.44 0.00 -1.45 0.00 0.00 41.25 41.76 2tmd s ASN 64 CO 0.61 -0.29 1.84 -0.65 -3.72 0.00 0.00 177.10 174.89 2tmd h PRO 65 N 2.74 0.00 -0.05 0.43 0.11 -1.97 0.57 132.00 133.84 2tmd h PRO 65 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2tmd h PRO 65 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2tmd h PRO 65 CO 0.28 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.22 2tmd n GLU 66 N -3.39 1.48 -3.45 1.05 0.28 -1.26 -3.61 120.64 111.75 2tmd n GLU 66 Ca 0.06 -0.71 -0.28 0.00 -0.16 0.00 0.00 57.16 56.06 2tmd n GLU 66 Cb 0.63 -1.44 -0.08 0.00 1.43 0.00 0.00 31.44 31.98 2tmd n GLU 66 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2tmd n SER 67 N -0.12 3.89 -4.39 -1.84 2.88 0.19 -4.16 113.62 110.07 2tmd n SER 67 Ca 0.19 -3.42 -0.36 0.00 -1.33 0.00 0.00 58.87 53.95 2tmd n SER 67 Cb 0.27 -0.73 -0.13 0.00 -0.75 0.00 0.00 64.21 62.87 2tmd n SER 67 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2tmd s ASP 68 N -2.30 4.74 0.00 -3.46 2.15 -1.24 -4.72 116.67 111.85 2tmd s ASP 68 Ca 0.38 -0.28 0.29 0.00 0.43 0.00 0.00 52.55 53.36 2tmd s ASP 68 Cb 0.12 -1.83 1.19 0.00 -0.30 0.00 0.00 42.92 42.10 2tmd s ASP 68 CO -0.02 -0.02 1.83 -0.67 -0.17 0.00 0.00 175.17 176.12 2tmd n ASP 69 N 4.78 0.73 -4.59 -0.34 2.03 -1.26 -0.85 116.55 117.05 2tmd n ASP 69 Ca -0.17 -0.89 -0.59 0.00 0.52 0.00 0.00 54.79 53.66 2tmd n ASP 69 Cb 0.51 -0.01 -0.08 0.00 -0.72 0.00 0.00 41.12 40.82 2tmd n ASP 69 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2tmd n THR 70 N -0.66 0.03 1.30 5.18 -1.04 -1.26 -0.29 114.28 117.54 2tmd n THR 70 Ca 0.16 -0.01 0.15 0.00 -2.04 0.00 0.00 64.05 62.31 2tmd n THR 70 Cb 0.28 -0.41 0.72 0.00 -1.82 0.00 0.00 70.33 69.10 2tmd n THR 70 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2tmd n HIS 71 N 2.65 0.00 -2.00 -1.42 1.44 -1.26 -2.67 115.22 111.97 2tmd n HIS 71 Ca 0.23 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.65 2tmd n HIS 71 Cb 0.08 -0.35 0.08 0.00 0.12 0.00 0.00 29.99 29.92 2tmd n HIS 71 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2tmd s ARG 72 N -2.70 2.19 -0.25 -1.40 0.52 0.60 -3.25 118.95 114.66 2tmd s ARG 72 Ca 0.24 0.06 -0.02 0.00 -0.52 0.00 0.00 55.73 55.50 2tmd s ARG 72 Cb 0.20 -2.03 0.03 0.00 0.52 0.00 0.00 34.95 33.67 2tmd s ARG 72 CO 0.48 -1.39 -0.05 -1.17 0.02 0.00 0.00 175.30 173.19 2tmd s LEU 73 N -5.44 3.28 0.34 2.53 2.96 -1.26 -4.53 118.68 116.55 2tmd s LEU 73 Ca 0.61 -0.91 0.08 0.00 -0.22 0.00 0.00 54.13 53.69 2tmd s LEU 73 Cb -0.11 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2tmd s LEU 73 CO 0.48 -0.14 0.22 -0.94 -1.32 0.00 0.00 176.35 174.65 2tmd s SER 74 N 1.32 4.95 0.76 3.68 1.04 -1.26 -4.72 113.70 119.48 2tmd s SER 74 Ca -0.00 -0.66 -0.11 0.00 0.48 0.00 0.00 55.95 55.66 2tmd s SER 74 Cb -0.17 -0.83 0.05 0.00 0.10 0.00 0.00 66.02 65.17 2tmd s SER 74 CO -0.04 -0.34 1.08 0.00 0.98 0.00 0.00 173.24 174.93 2tmd s ALA 75 N -2.38 2.32 0.01 5.32 0.00 -0.39 -4.14 121.76 122.49 2tmd s ALA 75 Ca 0.39 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2tmd s ALA 75 Cb -0.04 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 2tmd s ALA 75 CO 0.24 -1.66 -0.02 1.03 0.00 0.00 0.00 175.76 175.36 2tmd s ARG 76 N -4.97 0.20 -0.47 0.00 0.52 -1.26 -0.85 118.95 112.12 2tmd s ARG 76 Ca 0.60 -0.28 0.09 0.00 -0.52 0.00 0.00 55.73 55.62 2tmd s ARG 76 Cb -0.16 -0.05 0.36 0.00 0.52 0.00 0.00 34.95 35.62 2tmd s ARG 76 CO 0.56 0.00 0.89 1.51 0.02 0.00 0.00 175.30 178.28 2tmd n ILE 77 N 2.47 1.70 0.13 1.52 0.13 -0.62 -4.78 119.36 119.91 2tmd n ILE 77 Ca -0.17 -4.96 -0.22 0.00 -1.10 0.00 0.00 62.75 56.30 2tmd n ILE 77 Cb 0.58 -0.81 -0.15 0.00 -0.84 0.00 0.00 39.64 38.41 2tmd n ILE 77 CO 0.00 0.00 0.00 -0.50 2.80 0.00 0.00 176.55 178.85 2tmd h TRP 78 N 2.94 0.83 -1.85 9.51 6.55 -1.83 -3.44 115.95 128.66 2tmd h TRP 78 Ca 0.12 -0.60 0.00 0.00 0.95 0.00 0.00 58.89 59.35 2tmd h TRP 78 Cb 0.77 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.03 2tmd h TRP 78 CO 0.68 1.50 0.00 -0.40 -1.05 0.00 0.00 178.44 179.17 2tmd n ASP 79 N -3.65 0.00 0.17 -3.49 5.68 -1.26 -5.02 116.55 108.98 2tmd n ASP 79 Ca -0.16 -0.85 0.05 0.00 -0.50 0.00 0.00 54.79 53.33 2tmd n ASP 79 Cb 1.08 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 41.29 2tmd n ASP 79 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2tmd h GLU 80 N 0.00 0.00 -0.93 0.11 3.07 -1.96 -1.54 114.58 113.33 2tmd h GLU 80 Ca 0.00 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.93 2tmd h GLU 80 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.85 2tmd h GLU 80 CO 0.00 0.42 0.60 0.78 -1.40 0.00 0.00 179.01 179.41 2tmd h GLY 81 N 2.59 1.38 1.50 -3.84 0.00 -1.96 -2.40 103.07 100.34 2tmd h GLY 81 Ca -0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 47.33 46.69 2tmd h GLY 81 CO 0.05 0.29 -0.83 -0.55 0.00 0.00 0.00 176.54 175.50 2tmd h ASP 82 N 1.04 0.58 0.42 0.19 3.32 -1.59 -2.72 116.42 117.66 2tmd h ASP 82 Ca 0.41 -0.42 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 2tmd h ASP 82 Cb 0.23 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2tmd h ASP 82 CO -0.16 1.19 -0.59 -0.37 -1.72 0.00 0.00 179.24 177.59 2tmd h VAL 83 N 0.30 1.39 0.41 -1.35 -1.51 -1.36 0.19 116.25 114.31 2tmd h VAL 83 Ca -0.06 -1.97 -0.02 0.00 -1.23 0.00 0.00 66.70 63.42 2tmd h VAL 83 Cb 1.44 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 32.62 2tmd h VAL 83 CO 0.15 0.58 -0.19 -0.09 -1.23 0.00 0.00 177.57 176.78 2tmd h ARG 84 N 0.13 -0.53 -0.79 5.19 2.43 -1.47 0.21 114.38 119.54 2tmd h ARG 84 Ca -0.00 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2tmd h ARG 84 Cb 1.08 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 2tmd h ARG 84 CO 0.09 -0.33 0.39 -0.91 -1.51 0.00 0.00 179.97 177.70 2tmd h ASN 85 N -0.58 1.02 1.23 -3.80 4.21 -1.27 -2.79 115.58 113.60 2tmd h ASN 85 Ca -0.06 -0.11 -0.15 0.00 1.21 0.00 0.00 56.30 57.19 2tmd h ASN 85 Cb 0.44 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 2tmd h ASN 85 CO 0.09 0.85 -0.78 -0.07 -1.29 0.00 0.00 177.43 176.23 2tmd h LEU 86 N 1.12 0.00 -1.84 1.61 3.38 -0.58 -3.10 115.31 115.91 2tmd h LEU 86 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2tmd h LEU 86 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2tmd h LEU 86 CO -0.04 0.71 -0.09 0.50 0.09 0.00 0.00 178.44 179.61 2tmd h LYS 87 N 0.00 0.00 -0.97 1.13 3.64 -0.32 -1.37 116.57 118.69 2tmd h LYS 87 Ca -0.02 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.52 2tmd h LYS 87 Cb 1.56 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.30 2tmd h LYS 87 CO 0.09 0.09 0.61 0.00 -2.27 0.00 0.00 179.45 177.97 2tmd h ALA 88 N 1.91 1.76 0.01 5.00 0.00 -1.44 -0.78 119.26 125.71 2tmd h ALA 88 Ca -0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2tmd h ALA 88 Cb 0.17 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2tmd h ALA 88 CO 0.01 -0.06 -0.43 1.98 0.00 0.00 0.00 179.25 180.76 2tmd h MET 89 N 0.75 0.28 -0.34 0.00 1.85 -1.41 -2.88 114.93 113.17 2tmd h MET 89 Ca 0.51 -0.31 -0.09 0.00 -0.61 0.00 0.00 59.70 59.21 2tmd h MET 89 Cb 0.80 0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.91 2tmd h MET 89 CO -0.28 1.02 -0.16 1.79 -0.40 0.00 0.00 176.91 178.88 2tmd h THR 90 N -0.33 1.25 -0.49 -0.77 1.35 -1.34 -1.16 112.91 111.43 2tmd h THR 90 Ca -0.05 -1.17 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 2tmd h THR 90 Cb 1.17 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 2tmd h THR 90 CO 0.08 0.39 0.26 0.44 -0.25 0.00 0.00 175.52 176.44 2tmd h ASP 91 N 0.56 0.61 -0.19 5.36 3.32 -1.19 -0.46 116.42 124.44 2tmd h ASP 91 Ca 0.09 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 2tmd h ASP 91 Cb 0.59 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 2tmd h ASP 91 CO 0.04 0.54 -0.50 -0.08 -1.72 0.00 0.00 179.24 177.52 2tmd h GLU 92 N 0.64 0.76 0.00 3.56 4.57 -1.21 -1.29 114.58 121.62 2tmd h GLU 92 Ca 0.17 -0.46 -0.13 0.00 -1.18 0.00 0.00 59.36 57.76 2tmd h GLU 92 Cb 0.07 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2tmd h GLU 92 CO -0.03 1.08 -0.62 -0.39 -1.18 0.00 0.00 179.01 177.87 2tmd h VAL 93 N 0.60 1.43 -0.45 0.32 -1.51 -1.09 -2.99 116.25 112.56 2tmd h VAL 93 Ca 0.03 -2.15 -0.10 0.00 -1.23 0.00 0.00 66.70 63.24 2tmd h VAL 93 Cb 1.07 2.17 -0.02 0.00 -2.13 0.00 0.00 31.29 32.38 2tmd h VAL 93 CO 0.11 0.61 -0.13 0.45 -1.23 0.00 0.00 177.57 177.38 2tmd h HIS 94 N 0.00 0.92 -1.27 5.19 3.86 -0.81 -1.30 115.15 121.75 2tmd h HIS 94 Ca -0.01 -0.18 0.37 0.00 -1.16 0.00 0.00 60.37 59.39 2tmd h HIS 94 Cb 1.12 -0.23 -0.07 0.00 1.06 0.00 0.00 27.41 29.28 2tmd h HIS 94 CO 0.00 0.91 0.89 0.87 0.86 0.00 0.00 177.93 181.45 2tmd h LYS 95 N 0.75 0.09 -0.46 2.45 1.57 -1.08 0.21 116.57 120.09 2tmd h LYS 95 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2tmd h LYS 95 Cb 0.63 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2tmd h LYS 95 CO 0.04 0.06 0.00 0.66 -0.57 0.00 0.00 179.45 179.64 2tmd n TYR 96 N -4.30 1.14 -1.70 -1.35 4.01 -0.51 -4.96 117.16 109.49 2tmd n TYR 96 Ca 0.29 -0.67 -0.06 0.00 -0.16 0.00 0.00 57.90 57.30 2tmd n TYR 96 Cb 1.29 -0.23 -0.01 0.00 -0.31 0.00 0.00 39.34 40.07 2tmd n TYR 96 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2tmd n GLY 97 N 0.47 0.43 3.76 2.72 0.00 0.06 -4.75 105.19 107.88 2tmd n GLY 97 Ca 0.21 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 2tmd n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd s ALA 98 N -2.26 3.47 0.34 4.61 0.00 -1.10 -4.89 121.76 121.93 2tmd s ALA 98 Ca 0.00 -1.60 -0.12 0.00 0.00 0.00 0.00 51.96 50.23 2tmd s ALA 98 Cb 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.03 2tmd s ALA 98 CO 0.00 0.18 0.71 -0.51 0.00 0.00 0.00 175.76 176.14 2tmd s LEU 99 N -3.81 4.00 -0.09 0.00 1.43 -0.12 -4.18 118.68 115.91 2tmd s LEU 99 Ca 0.34 1.15 0.03 0.00 -1.03 0.00 0.00 54.13 54.63 2tmd s LEU 99 Cb -0.06 -3.97 -0.01 0.00 0.03 0.00 0.00 46.19 42.17 2tmd s LEU 99 CO 0.23 -0.25 -0.20 0.00 0.23 0.00 0.00 176.35 176.36 2tmd s ALA 100 N -2.10 2.35 0.22 4.21 0.00 -1.26 -1.04 121.76 124.16 2tmd s ALA 100 Ca 0.52 -0.97 0.11 0.00 0.00 0.00 0.00 51.96 51.61 2tmd s ALA 100 Cb -0.10 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 2tmd s ALA 100 CO 0.23 0.35 -0.20 0.20 0.00 0.00 0.00 175.76 176.34 2tmd s GLY 101 N 0.05 1.68 0.01 0.00 0.00 0.57 -0.16 107.32 109.47 2tmd s GLY 101 Ca -0.08 -1.71 0.04 0.00 0.00 0.00 0.00 44.72 42.97 2tmd s GLY 101 CO 0.05 -1.78 -0.12 0.54 0.00 0.00 0.00 173.10 171.79 2tmd s VAL 102 N -2.27 0.97 -0.47 1.40 0.11 -0.37 -1.82 120.40 117.94 2tmd s VAL 102 Ca 0.24 -0.70 -0.05 0.00 -2.93 0.00 0.00 61.98 58.54 2tmd s VAL 102 Cb -0.05 -0.84 0.12 0.00 -1.53 0.00 0.00 36.38 34.08 2tmd s VAL 102 CO 0.11 0.14 0.30 -0.70 -3.33 0.00 0.00 175.10 171.62 2tmd s GLU 103 N -0.64 2.26 -0.07 1.54 2.12 -1.26 -1.32 118.70 121.34 2tmd s GLU 103 Ca 0.03 -1.95 -0.30 0.00 0.36 0.00 0.00 54.97 53.11 2tmd s GLU 103 Cb -0.06 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 2tmd s GLU 103 CO 0.00 -1.13 1.31 -0.51 -0.54 0.00 0.00 175.26 174.39 2tmd s LEU 104 N 0.95 4.27 -0.06 2.70 1.43 -1.09 0.26 118.68 127.14 2tmd s LEU 104 Ca 0.09 1.90 0.03 0.00 -1.03 0.00 0.00 54.13 55.13 2tmd s LEU 104 Cb -0.23 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.44 2tmd s LEU 104 CO -0.03 -0.69 -0.15 0.86 0.23 0.00 0.00 176.35 176.56 2tmd s TRP 105 N 2.71 1.67 -0.07 0.29 -0.00 0.51 -3.03 118.94 121.02 2tmd s TRP 105 Ca 0.59 -0.59 -0.00 0.00 -0.00 0.00 0.00 56.10 56.10 2tmd s TRP 105 Cb -0.27 -1.17 0.02 0.00 -0.00 0.00 0.00 33.47 32.06 2tmd s TRP 105 CO 0.22 -0.26 -0.04 -0.47 -0.00 0.00 0.00 176.95 176.40 2tmd s TYR 106 N 0.43 0.92 -0.34 5.86 6.14 -1.26 -2.09 117.35 127.01 2tmd s TYR 106 Ca -0.12 -0.32 0.22 0.00 0.64 0.00 0.00 57.07 57.49 2tmd s TYR 106 Cb -0.15 -0.86 -0.19 0.00 0.42 0.00 0.00 41.96 41.19 2tmd s TYR 106 CO 0.04 -0.31 0.75 0.41 0.64 0.00 0.00 175.55 177.07 2tmd n GLY 107 N 4.62 -1.11 7.00 8.97 0.00 -1.26 -1.18 105.19 122.23 2tmd n GLY 107 Ca -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2tmd n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tmd n GLY 108 N 1.31 0.21 0.00 -0.02 0.00 -1.26 -3.07 105.19 102.36 2tmd n GLY 108 Ca -0.01 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.14 2tmd n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd n ALA 109 N 5.93 1.74 0.30 4.61 0.00 -1.26 -2.60 120.51 129.23 2tmd n ALA 109 Ca 0.00 -0.06 0.17 0.00 0.00 0.00 0.00 53.44 53.56 2tmd n ALA 109 Cb 0.00 -1.26 0.76 0.00 0.00 0.00 0.00 19.45 18.95 2tmd n ALA 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2tmd h HIS 110 N 0.00 0.00 -3.65 0.00 3.86 -1.87 -3.40 115.15 110.09 2tmd h HIS 110 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 2tmd h HIS 110 Cb 0.27 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.58 2tmd h HIS 110 CO 0.00 0.00 -0.16 0.00 0.86 0.00 0.00 177.93 178.63 2tmd s ALA 111 N -3.70 3.51 -1.35 2.45 0.00 -1.07 -4.71 121.76 116.88 2tmd s ALA 111 Ca 0.00 -1.00 0.28 0.00 0.00 0.00 0.00 51.96 51.24 2tmd s ALA 111 Cb 0.10 -2.89 1.40 0.00 0.00 0.00 0.00 23.12 21.73 2tmd s ALA 111 CO 0.48 -1.03 1.97 -0.35 0.00 0.00 0.00 175.76 176.83 2tmd n PRO 112 N 5.54 0.33 -4.06 0.00 -0.04 -1.23 -4.81 135.00 130.73 2tmd n PRO 112 Ca -0.07 0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.10 2tmd n PRO 112 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 2tmd n PRO 112 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2tmd n ASN 113 N -1.32 -2.14 0.09 3.54 3.02 -0.03 -4.85 115.26 113.58 2tmd n ASN 113 Ca 0.12 -0.98 0.12 0.00 -0.03 0.00 0.00 54.58 53.82 2tmd n ASN 113 Cb 0.25 -3.03 0.45 0.00 -0.61 0.00 0.00 39.78 36.83 2tmd n ASN 113 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2tmd n MET 114 N -4.43 0.19 -0.10 3.52 2.81 -1.09 -1.01 117.12 117.02 2tmd n MET 114 Ca -0.10 0.26 -0.16 0.00 -1.81 0.00 0.00 57.70 55.88 2tmd n MET 114 Cb 0.58 -1.77 -0.07 0.00 -0.71 0.00 0.00 33.22 31.25 2tmd n MET 114 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2tmd n GLU 115 N -2.11 0.53 0.11 0.03 2.13 -1.26 -4.64 120.64 115.43 2tmd n GLU 115 Ca 0.05 0.50 -0.03 0.00 0.66 0.00 0.00 57.16 58.33 2tmd n GLU 115 Cb 0.34 -1.68 0.14 0.00 0.27 0.00 0.00 31.44 30.51 2tmd n GLU 115 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2tmd h SER 116 N -1.00 0.13 -0.51 4.31 4.64 -1.82 -3.46 113.55 115.84 2tmd h SER 116 Ca -0.25 -0.08 -0.22 0.00 -0.47 0.00 0.00 61.79 60.77 2tmd h SER 116 Cb 1.06 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 63.02 2tmd h SER 116 CO -0.15 0.72 -0.20 0.54 -0.87 0.00 0.00 176.83 176.87 2tmd n ARG 117 N -3.83 -1.07 -2.12 4.77 1.74 -0.18 -5.01 116.66 110.97 2tmd n ARG 117 Ca -0.02 0.84 -0.27 0.00 -0.77 0.00 0.00 57.85 57.63 2tmd n ARG 117 Cb 0.62 -4.91 0.11 0.00 -1.02 0.00 0.00 32.46 27.26 2tmd n ARG 117 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2tmd s ALA 118 N -2.23 2.87 -0.27 7.54 0.00 -1.26 -5.04 121.76 123.37 2tmd s ALA 118 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 2tmd s ALA 118 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 2tmd s ALA 118 CO 0.00 -1.72 0.12 0.99 0.00 0.00 0.00 175.76 175.14 2tmd s THR 119 N -3.48 4.64 0.64 0.00 2.01 -1.26 -4.87 115.64 113.32 2tmd s THR 119 Ca 0.65 -0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.40 2tmd s THR 119 Cb -0.08 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2tmd s THR 119 CO 0.48 0.28 1.10 -2.16 -0.69 0.00 0.00 174.62 173.63 2tmd s PRO 120 N 1.66 2.92 0.09 4.92 0.04 -1.26 -4.92 135.00 138.45 2tmd s PRO 120 Ca 0.06 1.37 0.07 0.00 0.04 0.00 0.00 61.00 62.54 2tmd s PRO 120 Cb -0.16 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2tmd s PRO 120 CO 0.06 -1.16 -0.19 1.03 0.04 0.00 0.00 177.00 176.79 2tmd s ARG 121 N -4.06 1.02 0.12 4.56 0.52 -1.26 -1.26 118.95 118.60 2tmd s ARG 121 Ca 0.67 -1.08 -0.01 0.00 -0.52 0.00 0.00 55.73 54.79 2tmd s ARG 121 Cb -0.20 -1.20 0.00 0.00 0.52 0.00 0.00 34.95 34.07 2tmd s ARG 121 CO 0.40 0.28 0.17 0.41 0.02 0.00 0.00 175.30 176.58 2tmd n GLY 122 N 1.17 2.77 0.33 -3.53 0.00 -0.80 -4.44 105.19 100.70 2tmd n GLY 122 Ca -0.20 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 2tmd n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2tmd h PRO 123 N 0.00 1.00 -4.24 1.61 0.13 -1.88 -1.13 132.00 127.49 2tmd h PRO 123 Ca -0.10 -0.16 -0.17 0.00 -0.87 0.00 0.00 66.00 64.71 2tmd h PRO 123 Cb 0.42 -0.17 -0.13 0.00 0.13 0.00 0.00 31.00 31.24 2tmd h PRO 123 CO 0.13 0.80 -0.47 -1.12 -0.23 0.00 0.00 178.00 177.12 2tmd s SER 124 N -6.45 0.11 -0.20 1.44 0.01 -1.26 -4.47 113.70 102.89 2tmd s SER 124 Ca -0.11 -1.17 -0.28 0.00 1.31 0.00 0.00 55.95 55.70 2tmd s SER 124 Cb 0.16 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2tmd s SER 124 CO 0.81 -0.89 0.98 -1.58 0.41 0.00 0.00 173.24 172.97 2tmd s GLN 125 N -4.08 4.29 0.03 12.44 0.74 -1.26 -4.54 119.66 127.28 2tmd s GLN 125 Ca 0.29 1.28 -0.01 0.00 0.05 0.00 0.00 55.36 56.97 2tmd s GLN 125 Cb 0.05 -3.61 -0.02 0.00 1.10 0.00 0.00 33.01 30.52 2tmd s GLN 125 CO 0.08 -0.51 -0.01 1.52 -0.55 0.00 0.00 175.29 175.81 2tmd s TYR 126 N 2.78 0.30 0.01 1.67 1.13 -1.26 -4.99 117.35 116.99 2tmd s TYR 126 Ca 0.43 -0.63 -0.26 0.00 -1.41 0.00 0.00 57.07 55.19 2tmd s TYR 126 Cb -0.16 -0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 40.43 2tmd s TYR 126 CO 0.09 -0.26 0.82 0.00 -2.51 0.00 0.00 175.55 173.70 2tmd s ALA 127 N -2.17 3.29 0.33 9.51 0.00 -1.26 -2.59 121.76 128.87 2tmd s ALA 127 Ca -0.09 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.91 2tmd s ALA 127 Cb -0.05 -3.10 -0.11 0.00 0.00 0.00 0.00 23.12 19.86 2tmd s ALA 127 CO -0.03 -0.07 1.54 0.45 0.00 0.00 0.00 175.76 177.65 2tmd s SER 128 N 0.46 6.36 0.00 0.00 0.15 -0.29 -4.86 113.70 115.51 2tmd s SER 128 Ca 0.43 3.00 0.22 0.00 0.70 0.00 0.00 55.95 60.30 2tmd s SER 128 Cb -0.20 -2.65 1.13 0.00 -1.71 0.00 0.00 66.02 62.58 2tmd s SER 128 CO 0.24 -0.90 1.72 -1.84 1.20 0.00 0.00 173.24 173.66 2tmd n GLU 129 N 1.34 0.32 -0.05 5.44 0.00 -1.26 -2.78 120.64 123.65 2tmd n GLU 129 Ca 0.05 0.07 -0.11 0.00 0.00 0.00 0.00 57.16 57.17 2tmd n GLU 129 Cb 0.38 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.28 2tmd n GLU 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2tmd n PHE 130 N -1.28 0.00 -3.34 -1.84 7.35 -1.26 -4.74 117.46 112.34 2tmd n PHE 130 Ca 0.11 0.00 -0.47 0.00 -0.76 0.00 0.00 57.45 56.33 2tmd n PHE 130 Cb 0.18 -0.42 -0.02 0.00 0.35 0.00 0.00 39.48 39.56 2tmd n PHE 130 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2tmd s GLU 131 N -2.36 3.58 0.18 -4.13 0.41 -1.23 -4.95 118.70 110.20 2tmd s GLU 131 Ca -0.19 -2.49 0.17 0.00 -0.41 0.00 0.00 54.97 52.06 2tmd s GLU 131 Cb 0.06 -4.41 0.79 0.00 -1.78 0.00 0.00 34.13 28.78 2tmd s GLU 131 CO 0.25 -1.29 1.52 0.25 -0.49 0.00 0.00 175.26 175.50 2tmd n THR 132 N 3.92 1.13 0.20 3.63 -2.24 -1.12 -0.32 114.28 119.48 2tmd n THR 132 Ca 0.14 0.42 0.08 0.00 -2.27 0.00 0.00 64.05 62.42 2tmd n THR 132 Cb 0.47 -1.35 0.13 0.00 -2.10 0.00 0.00 70.33 67.48 2tmd n THR 132 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2tmd n LEU 133 N -1.96 2.74 -4.46 3.22 4.32 -1.26 -4.73 117.00 114.86 2tmd n LEU 133 Ca 0.01 -1.49 -0.37 0.00 -0.02 0.00 0.00 56.01 54.14 2tmd n LEU 133 Cb 0.12 -0.15 -0.12 0.00 -1.62 0.00 0.00 43.42 41.65 2tmd n LEU 133 CO 0.12 0.61 -0.24 -0.55 -1.22 0.00 0.00 177.39 176.10 2tmd s SER 134 N -1.13 5.38 0.22 -1.43 0.15 0.56 -5.02 113.70 112.43 2tmd s SER 134 Ca 0.24 -0.27 0.09 0.00 0.70 0.00 0.00 55.95 56.71 2tmd s SER 134 Cb 0.14 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 2tmd s SER 134 CO 0.20 -0.08 -0.05 -0.31 1.20 0.00 0.00 173.24 174.20 2tmd s TYR 135 N 1.63 2.67 0.27 3.44 1.51 -1.26 -1.14 117.35 124.47 2tmd s TYR 135 Ca 0.06 -0.22 0.12 0.00 -1.01 0.00 0.00 57.07 56.02 2tmd s TYR 135 Cb -0.16 -1.24 -0.05 0.00 -0.11 0.00 0.00 41.96 40.40 2tmd s TYR 135 CO 0.05 0.57 -0.17 0.00 -1.11 0.00 0.00 175.55 174.90 2tmd s LYS 137 N -3.48 4.55 0.12 0.00 2.20 -0.39 -4.39 119.74 118.35 2tmd s LYS 137 Ca 0.30 1.20 -0.31 0.00 -0.36 0.00 0.00 55.97 56.79 2tmd s LYS 137 Cb -0.05 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 2tmd s LYS 137 CO 0.15 0.17 1.55 -2.00 -0.36 0.00 0.00 175.35 174.86 2tmd s GLU 138 N 0.29 4.23 0.45 4.03 2.12 -1.26 -1.90 118.70 126.65 2tmd s GLU 138 Ca 0.43 2.27 -0.24 0.00 0.36 0.00 0.00 54.97 57.80 2tmd s GLU 138 Cb -0.21 -3.31 -0.08 0.00 0.26 0.00 0.00 34.13 30.79 2tmd s GLU 138 CO 0.25 -0.60 1.21 -1.64 -0.54 0.00 0.00 175.26 173.94 2tmd s MET 139 N 1.60 3.79 0.58 4.30 -1.94 -0.43 -4.90 119.30 122.30 2tmd s MET 139 Ca 0.70 1.91 0.09 0.00 -1.71 0.00 0.00 55.69 56.67 2tmd s MET 139 Cb -0.41 -2.51 0.08 0.00 2.01 0.00 0.00 34.83 34.00 2tmd s MET 139 CO 0.31 -0.56 0.71 0.16 -0.01 0.00 0.00 175.02 175.63 2tmd s ASP 140 N -1.15 4.92 0.56 3.03 1.47 -1.26 -4.95 116.67 119.29 2tmd s ASP 140 Ca 0.62 -1.00 0.29 0.00 1.18 0.00 0.00 52.55 53.64 2tmd s ASP 140 Cb -0.32 0.44 1.64 0.00 -0.34 0.00 0.00 42.92 44.33 2tmd s ASP 140 CO 0.40 -1.34 2.16 -0.07 0.68 0.00 0.00 175.17 176.99 2tmd h LEU 141 N 0.28 0.00 -0.02 2.11 4.07 -1.99 0.49 115.31 120.25 2tmd h LEU 141 Ca -0.31 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.54 2tmd h LEU 141 Cb 1.29 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.04 2tmd h LEU 141 CO 0.45 0.07 -0.44 -1.28 -1.08 0.00 0.00 178.44 176.15 2tmd h SER 142 N 0.00 0.42 -0.40 -0.43 0.87 -1.99 -2.09 113.55 109.93 2tmd h SER 142 Ca -0.00 -0.74 0.07 0.00 -1.23 0.00 0.00 61.79 59.90 2tmd h SER 142 Cb 0.19 -0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 61.96 2tmd h SER 142 CO 0.01 1.10 -0.01 0.44 -0.53 0.00 0.00 176.83 177.84 2tmd h ASP 143 N -0.22 -0.18 -0.72 6.23 3.32 -1.71 0.27 116.42 123.41 2tmd h ASP 143 Ca -0.05 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.15 2tmd h ASP 143 Cb 1.15 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.82 2tmd h ASP 143 CO 0.09 -0.05 0.43 0.40 -1.72 0.00 0.00 179.24 178.38 2tmd h ILE 144 N 0.10 1.02 -0.34 0.35 2.04 -0.88 0.87 117.51 120.66 2tmd h ILE 144 Ca 0.20 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 2tmd h ILE 144 Cb 0.28 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2tmd h ILE 144 CO -0.34 0.14 -0.22 0.00 0.00 0.00 0.00 178.15 177.74 2tmd h ALA 145 N 1.35 0.98 -0.29 1.87 0.00 -0.93 -1.94 119.26 120.29 2tmd h ALA 145 Ca 0.31 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2tmd h ALA 145 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2tmd h ALA 145 CO -0.16 0.60 -0.36 0.37 0.00 0.00 0.00 179.25 179.70 2tmd h GLN 146 N 0.58 0.66 0.02 0.00 4.15 0.74 -2.37 115.11 118.89 2tmd h GLN 146 Ca 0.08 -0.32 -0.26 0.00 0.77 0.00 0.00 58.65 58.93 2tmd h GLN 146 Cb 0.69 -0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.39 2tmd h GLN 146 CO 0.05 0.92 -1.04 0.28 -1.93 0.00 0.00 178.83 177.11 2tmd h VAL 147 N 0.55 1.33 0.00 2.39 2.07 -0.78 -2.57 116.25 119.23 2tmd h VAL 147 Ca 0.05 -2.37 -0.02 0.00 0.82 0.00 0.00 66.70 65.19 2tmd h VAL 147 Cb 0.87 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2tmd h VAL 147 CO 0.08 0.72 -0.10 1.56 0.02 0.00 0.00 177.57 179.85 2tmd h GLN 148 N 0.31 0.00 -0.10 1.57 4.20 -1.30 -1.90 115.11 117.90 2tmd h GLN 148 Ca -0.12 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.42 2tmd h GLN 148 Cb 1.69 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 2tmd h GLN 148 CO 0.20 0.10 -0.66 0.37 -0.67 0.00 0.00 178.83 178.16 2tmd h GLN 149 N 0.00 0.39 -0.68 1.46 5.75 -1.24 -2.62 115.11 118.17 2tmd h GLN 149 Ca -0.00 -0.29 0.11 0.00 -0.15 0.00 0.00 58.65 58.31 2tmd h GLN 149 Cb 0.18 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.70 2tmd h GLN 149 CO 0.01 0.92 0.28 0.74 -2.65 0.00 0.00 178.83 178.13 2tmd h PHE 150 N 0.28 0.50 0.21 3.99 0.04 -0.94 -0.74 116.94 120.28 2tmd h PHE 150 Ca -0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2tmd h PHE 150 Cb 1.21 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.24 2tmd h PHE 150 CO 0.04 0.12 -0.10 1.88 -0.60 0.00 0.00 178.31 179.65 2tmd h TYR 151 N 0.47 -0.27 -0.42 -0.55 0.05 -1.30 -0.54 116.97 114.41 2tmd h TYR 151 Ca 0.35 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.20 2tmd h TYR 151 Cb 0.45 0.09 -0.06 0.00 1.01 0.00 0.00 36.73 38.21 2tmd h TYR 151 CO -0.15 -0.14 0.03 0.28 -1.05 0.00 0.00 178.16 177.13 2tmd h VAL 152 N -0.32 0.72 -0.79 -2.88 2.07 -1.22 0.69 116.25 114.51 2tmd h VAL 152 Ca -0.03 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2tmd h VAL 152 Cb 0.25 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2tmd h VAL 152 CO 0.05 0.03 0.36 0.44 0.02 0.00 0.00 177.57 178.47 2tmd h ASP 153 N 0.15 1.06 -0.54 0.57 3.32 -1.05 -1.72 116.42 118.20 2tmd h ASP 153 Ca 0.21 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 2tmd h ASP 153 Cb 0.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2tmd h ASP 153 CO -0.32 0.91 -0.07 0.00 -1.72 0.00 0.00 179.24 178.04 2tmd h ALA 154 N 1.19 0.74 -0.34 3.45 0.00 -0.56 -1.72 119.26 122.02 2tmd h ALA 154 Ca 0.27 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2tmd h ALA 154 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2tmd h ALA 154 CO -0.03 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.88 2tmd h ALA 155 N 0.94 1.42 -0.14 0.00 0.00 -0.55 0.14 119.26 121.07 2tmd h ALA 155 Ca 0.15 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2tmd h ALA 155 Cb 0.63 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2tmd h ALA 155 CO 0.04 0.41 -0.77 0.87 0.00 0.00 0.00 179.25 179.80 2tmd h LYS 156 N 0.50 0.72 -0.84 0.00 1.57 -1.12 -1.86 116.57 115.53 2tmd h LYS 156 Ca 0.11 -0.59 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 2tmd h LYS 156 Cb 0.28 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 2tmd h LYS 156 CO 0.00 1.20 0.44 0.00 -0.57 0.00 0.00 179.45 180.52 2tmd h ARG 157 N 0.49 1.18 -0.18 3.15 3.08 -0.95 -1.85 114.38 119.30 2tmd h ARG 157 Ca -0.05 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 59.88 2tmd h ARG 157 Cb 1.39 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 2tmd h ARG 157 CO 0.15 0.88 0.01 0.77 -1.07 0.00 0.00 179.97 180.71 2tmd h SER 158 N 1.18 -0.06 -0.73 7.04 0.02 -0.63 0.26 113.55 120.63 2tmd h SER 158 Ca 0.29 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.32 2tmd h SER 158 Cb 0.06 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 2tmd h SER 158 CO -0.04 -0.00 0.48 -0.09 -1.14 0.00 0.00 176.83 176.04 2tmd h ARG 159 N 0.07 0.83 -0.21 3.45 2.43 -1.08 0.31 114.38 120.18 2tmd h ARG 159 Ca 0.08 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2tmd h ARG 159 Cb 0.10 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2tmd h ARG 159 CO -0.14 0.55 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.26 2tmd h ASP 160 N 0.86 0.35 0.68 -3.80 3.32 -0.47 -2.15 116.42 115.21 2tmd h ASP 160 Ca 0.30 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2tmd h ASP 160 Cb 0.11 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2tmd h ASP 160 CO -0.09 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 177.98 2tmd n ALA 161 N -2.48 2.34 -0.21 3.45 0.00 0.03 -4.91 120.51 118.73 2tmd n ALA 161 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2tmd n ALA 161 Cb 0.33 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2tmd n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tmd n GLY 162 N 1.17 1.05 3.78 0.00 0.00 -0.79 -4.17 105.19 106.24 2tmd n GLY 162 Ca 0.11 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2tmd n GLY 162 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2tmd s PHE 163 N -2.00 3.71 -0.11 1.61 0.08 -1.04 -4.80 117.98 115.43 2tmd s PHE 163 Ca 0.00 1.78 0.19 0.00 0.12 0.00 0.00 56.93 59.02 2tmd s PHE 163 Cb 0.00 -2.92 -0.28 0.00 -0.57 0.00 0.00 43.02 39.25 2tmd s PHE 163 CO 0.00 0.23 0.27 -0.25 -0.10 0.00 0.00 175.22 175.36 2tmd n ASP 164 N 0.61 0.27 -4.05 1.36 8.00 0.78 -4.65 116.55 118.87 2tmd n ASP 164 Ca 0.02 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.24 2tmd n ASP 164 Cb 0.50 1.47 -0.17 0.00 -0.02 0.00 0.00 41.12 42.91 2tmd n ASP 164 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2tmd s ILE 165 N -2.97 1.37 -0.18 0.53 1.01 -0.95 -1.08 121.20 118.94 2tmd s ILE 165 Ca -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 59.99 2tmd s ILE 165 Cb 0.10 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.33 2tmd s ILE 165 CO 0.82 0.41 -0.19 -0.69 0.00 0.00 0.00 174.94 175.30 2tmd s VAL 166 N 0.86 2.22 0.16 2.92 1.01 -0.27 -1.23 120.40 126.07 2tmd s VAL 166 Ca -0.10 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 2tmd s VAL 166 Cb -0.15 -1.93 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 2tmd s VAL 166 CO 0.01 0.53 0.52 -0.31 0.00 0.00 0.00 175.10 175.85 2tmd s TYR 167 N 1.21 3.54 -0.29 5.22 1.51 -0.43 -0.98 117.35 127.12 2tmd s TYR 167 Ca 0.03 0.93 -0.08 0.00 -1.01 0.00 0.00 57.07 56.94 2tmd s TYR 167 Cb -0.14 -2.28 -0.01 0.00 -0.11 0.00 0.00 41.96 39.42 2tmd s TYR 167 CO -0.10 0.39 0.12 0.08 -1.11 0.00 0.00 175.55 174.93 2tmd s VAL 168 N -1.58 4.42 -0.45 0.71 1.01 -0.09 -2.66 120.40 121.77 2tmd s VAL 168 Ca 0.40 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 2tmd s VAL 168 Cb -0.13 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.07 2tmd s VAL 168 CO 0.20 0.15 0.57 -0.47 0.00 0.00 0.00 175.10 175.55 2tmd s TYR 169 N 1.60 3.10 -0.36 5.22 5.04 -1.17 -2.76 117.35 128.01 2tmd s TYR 169 Ca 0.05 -0.25 0.09 0.00 -2.44 0.00 0.00 57.07 54.52 2tmd s TYR 169 Cb -0.17 -3.23 0.45 0.00 0.35 0.00 0.00 41.96 39.36 2tmd s TYR 169 CO 0.05 -0.85 1.11 0.41 -1.34 0.00 0.00 175.55 174.93 2tmd n GLY 170 N 5.09 5.02 3.48 8.97 0.00 0.13 -4.44 105.19 123.43 2tmd n GLY 170 Ca -0.04 -2.34 -0.23 0.00 0.00 0.00 0.00 46.02 43.40 2tmd n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd s ALA 171 N -3.52 2.57 -1.57 4.61 0.00 -1.12 -2.23 121.76 120.50 2tmd s ALA 171 Ca 0.44 -2.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.36 2tmd s ALA 171 Cb 0.40 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.70 2tmd s ALA 171 CO -0.07 -0.06 0.53 0.72 0.00 0.00 0.00 175.76 176.88 2tmd n HIS 172 N -0.68 -1.82 -3.73 0.00 8.25 -1.26 -2.96 115.22 113.02 2tmd n HIS 172 Ca -0.05 0.45 -0.27 0.00 -0.26 0.00 0.00 57.72 57.59 2tmd n HIS 172 Cb 0.64 -4.40 0.05 0.00 1.12 0.00 0.00 29.99 27.40 2tmd n HIS 172 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2tmd n SER 173 N -2.38 -5.53 -4.85 0.41 7.64 -1.26 -3.94 113.62 103.71 2tmd n SER 173 Ca -0.13 -0.65 -0.22 0.00 1.01 0.00 0.00 58.87 58.89 2tmd n SER 173 Cb 0.63 -4.38 0.09 0.00 -1.01 0.00 0.00 64.21 59.53 2tmd n SER 173 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2tmd s TYR 174 N -3.29 1.47 0.20 1.43 2.02 -1.15 -4.62 117.35 113.41 2tmd s TYR 174 Ca 0.62 -0.51 -0.13 0.00 -0.37 0.00 0.00 57.07 56.68 2tmd s TYR 174 Cb -0.29 -2.61 0.23 0.00 -0.40 0.00 0.00 41.96 38.89 2tmd s TYR 174 CO 0.76 -1.45 1.66 1.25 -1.57 0.00 0.00 175.55 176.21 2tmd h LEU 175 N -0.18 -0.32 -1.46 -1.29 5.85 -1.36 0.20 115.31 116.74 2tmd h LEU 175 Ca -0.33 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.58 2tmd h LEU 175 Cb 1.28 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.54 2tmd h LEU 175 CO 0.40 -0.12 0.42 -0.65 -0.34 0.00 0.00 178.44 178.15 2tmd h PRO 176 N 0.08 0.67 0.00 5.25 0.11 -1.83 -0.42 132.00 135.85 2tmd h PRO 176 Ca 0.28 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.27 2tmd h PRO 176 Cb 0.44 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 2tmd h PRO 176 CO -0.50 0.44 -0.41 1.25 -0.21 0.00 0.00 178.00 178.57 2tmd h LEU 177 N 0.69 0.00 -0.69 2.35 7.12 -0.86 -3.09 115.31 120.83 2tmd h LEU 177 Ca 0.26 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 58.17 2tmd h LEU 177 Cb 0.17 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.28 2tmd h LEU 177 CO -0.08 0.41 -0.14 1.56 -0.13 0.00 0.00 178.44 180.06 2tmd h GLN 178 N 0.00 0.87 -0.27 1.25 4.20 -0.35 -1.17 115.11 119.64 2tmd h GLN 178 Ca -0.00 -0.32 -0.12 0.00 0.06 0.00 0.00 58.65 58.27 2tmd h GLN 178 Cb 1.16 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 2tmd h GLN 178 CO 0.05 0.95 -0.34 0.74 -0.67 0.00 0.00 178.83 179.57 2tmd h PHE 179 N 0.78 0.68 0.00 2.96 0.04 -1.49 -3.11 116.94 116.79 2tmd h PHE 179 Ca 0.12 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 2tmd h PHE 179 Cb 0.66 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 2tmd h PHE 179 CO 0.04 0.85 -0.10 1.25 -0.60 0.00 0.00 178.31 179.74 2tmd h LEU 180 N 0.50 0.00 -8.40 1.54 5.85 -1.40 -3.43 115.31 109.97 2tmd h LEU 180 Ca 0.06 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 58.11 2tmd h LEU 180 Cb 0.82 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 41.58 2tmd h LEU 180 CO 0.07 0.10 -0.66 0.21 -0.34 0.00 0.00 178.44 177.82 2tmd s ASN 181 N -6.06 4.85 0.66 1.25 3.84 -0.47 -4.87 114.94 114.14 2tmd s ASN 181 Ca 0.03 -0.59 0.36 0.00 0.21 0.00 0.00 52.86 52.88 2tmd s ASN 181 Cb 0.08 -1.83 1.97 0.00 -0.55 0.00 0.00 41.25 40.92 2tmd s ASN 181 CO 0.63 -0.12 2.12 1.55 -2.79 0.00 0.00 177.10 178.49 2tmd h PRO 182 N 8.18 0.00 -0.84 0.43 0.13 -1.83 -1.19 132.00 136.88 2tmd h PRO 182 Ca -0.35 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.90 2tmd h PRO 182 Cb 1.14 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 2tmd h PRO 182 CO 0.60 0.00 0.55 -0.92 -0.23 0.00 0.00 178.00 177.99 2tmd h TYR 183 N 0.00 0.80 0.00 1.56 3.20 -1.91 -3.23 116.97 117.40 2tmd h TYR 183 Ca 0.01 0.02 -0.34 0.00 3.14 0.00 0.00 58.73 61.57 2tmd h TYR 183 Cb 0.38 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 2tmd h TYR 183 CO 0.00 0.34 -2.24 0.66 -1.64 0.00 0.00 178.16 175.29 2tmd n TYR 184 N -4.53 0.00 -2.70 -3.82 4.01 -0.81 -4.92 117.16 104.40 2tmd n TYR 184 Ca 0.15 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.47 2tmd n TYR 184 Cb 0.39 -0.83 -0.03 0.00 -0.31 0.00 0.00 39.34 38.56 2tmd n TYR 184 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2tmd s ASN 185 N -6.30 6.20 -0.25 7.72 3.84 -0.52 -4.17 114.94 121.46 2tmd s ASN 185 Ca -0.30 -0.62 0.13 0.00 0.21 0.00 0.00 52.86 52.28 2tmd s ASN 185 Cb 0.09 -2.49 0.72 0.00 -0.55 0.00 0.00 41.25 39.01 2tmd s ASN 185 CO 0.48 -1.61 1.68 0.29 -2.79 0.00 0.00 177.10 175.14 2tmd n LYS 186 N 8.49 3.94 -0.77 0.43 4.76 -1.26 -4.53 118.16 129.22 2tmd n LYS 186 Ca 0.00 -3.07 -0.29 0.00 -2.87 0.00 0.00 58.31 52.09 2tmd n LYS 186 Cb 0.47 -2.13 0.21 0.00 -1.84 0.00 0.00 35.03 31.75 2tmd n LYS 186 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2tmd s ARG 187 N -2.88 -0.21 0.00 1.97 0.52 -1.26 -4.98 118.95 112.10 2tmd s ARG 187 Ca 0.51 0.83 0.00 0.00 -0.52 0.00 0.00 55.73 56.56 2tmd s ARG 187 Cb 0.41 -1.64 0.00 0.00 0.52 0.00 0.00 34.95 34.24 2tmd s ARG 187 CO 0.13 -3.25 0.01 -2.37 0.02 0.00 0.00 175.30 169.84 2tmd n THR 188 N -4.58 0.00 -2.01 0.02 5.66 -1.26 -3.79 114.28 108.32 2tmd n THR 188 Ca 0.05 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 2tmd n THR 188 Cb 0.55 1.76 0.00 0.00 -1.55 0.00 0.00 70.33 71.08 2tmd n THR 188 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2tmd n ASP 189 N -0.01 0.28 0.00 1.09 5.75 -1.26 -4.90 116.55 117.50 2tmd n ASP 189 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.90 2tmd n ASP 189 Cb 0.19 0.00 0.71 0.00 -1.03 0.00 0.00 41.12 40.99 2tmd n ASP 189 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2tmd n LYS 190 N 0.00 0.82 -0.32 0.11 2.85 -1.26 -1.20 118.16 119.16 2tmd n LYS 190 Ca 0.00 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.33 2tmd n LYS 190 Cb 0.00 -1.46 0.22 0.00 -0.65 0.00 0.00 35.03 33.14 2tmd n LYS 190 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2tmd n TYR 191 N -0.96 0.76 -4.00 5.58 4.01 -1.26 -4.47 117.16 116.83 2tmd n TYR 191 Ca 0.18 -0.60 -0.09 0.00 -0.16 0.00 0.00 57.90 57.23 2tmd n TYR 191 Cb 0.08 -0.12 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 2tmd n TYR 191 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2tmd s GLY 192 N -1.19 0.53 0.00 2.72 0.00 -0.34 -4.14 107.32 104.89 2tmd s GLY 192 Ca 0.34 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 44.04 2tmd s GLY 192 CO 0.17 -1.03 0.00 0.61 0.00 0.00 0.00 173.10 172.85 2tmd n GLY 193 N -0.11 1.02 3.70 0.20 0.00 -1.25 -4.55 105.19 104.20 2tmd n GLY 193 Ca -0.09 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 2tmd n GLY 193 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2tmd s SER 194 N -4.00 3.15 0.28 1.61 1.04 -1.26 -4.75 113.70 109.77 2tmd s SER 194 Ca 0.00 1.40 -0.02 0.00 0.48 0.00 0.00 55.95 57.80 2tmd s SER 194 Cb 0.00 -2.07 0.40 0.00 0.10 0.00 0.00 66.02 64.45 2tmd s SER 194 CO 0.00 -2.83 1.90 0.25 0.98 0.00 0.00 173.24 173.54 2tmd h LEU 195 N -1.68 0.89 -0.67 2.42 5.85 -1.97 0.97 115.31 121.12 2tmd h LEU 195 Ca -0.51 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.18 2tmd h LEU 195 Cb 1.30 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2tmd h LEU 195 CO 0.55 0.74 0.38 -0.33 -0.34 0.00 0.00 178.44 179.44 2tmd h GLU 196 N 1.00 0.68 -0.04 1.25 3.07 -1.97 0.40 114.58 118.97 2tmd h GLU 196 Ca 0.25 -0.04 -0.21 0.00 -0.50 0.00 0.00 59.36 58.85 2tmd h GLU 196 Cb 0.07 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2tmd h GLU 196 CO -0.04 0.45 -0.87 -0.91 -1.40 0.00 0.00 179.01 176.24 2tmd h ASN 197 N 0.70 0.57 0.29 1.42 4.21 -1.56 -2.80 115.58 118.40 2tmd h ASN 197 Ca 0.30 -0.43 -0.15 0.00 1.21 0.00 0.00 56.30 57.23 2tmd h ASN 197 Cb 0.18 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 2tmd h ASN 197 CO -0.18 1.21 -0.60 0.03 -1.29 0.00 0.00 177.43 176.60 2tmd h ARG 198 N 0.28 0.31 -0.01 0.81 3.08 -0.16 -2.94 114.38 115.76 2tmd h ARG 198 Ca -0.06 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2tmd h ARG 198 Cb 1.48 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.56 2tmd h ARG 198 CO 0.15 0.81 -0.01 0.00 -1.07 0.00 0.00 179.97 179.86 2tmd n ALA 199 N -2.48 2.64 -0.25 0.04 0.00 0.14 -3.38 120.51 117.21 2tmd n ALA 199 Ca -0.03 -0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.03 2tmd n ALA 199 Cb 0.62 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.79 2tmd n ALA 199 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2tmd h ARG 200 N 1.20 1.02 -0.64 0.00 2.43 -1.30 -1.61 114.38 115.48 2tmd h ARG 200 Ca 0.00 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 2tmd h ARG 200 Cb 0.27 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2tmd h ARG 200 CO 0.00 0.80 0.09 0.35 -1.51 0.00 0.00 179.97 179.70 2tmd h PHE 201 N 0.98 1.12 -0.02 2.20 3.57 -1.78 -1.45 116.94 121.57 2tmd h PHE 201 Ca 0.24 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 2tmd h PHE 201 Cb 0.12 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.56 2tmd h PHE 201 CO 0.01 0.95 -0.29 2.35 -2.23 0.00 0.00 178.31 179.09 2tmd h TRP 202 N 0.99 0.33 -0.43 0.41 2.91 -1.76 -1.66 115.95 116.73 2tmd h TRP 202 Ca 0.19 -0.17 0.05 0.00 1.13 0.00 0.00 58.89 60.10 2tmd h TRP 202 Cb 0.44 -0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 29.00 2tmd h TRP 202 CO 0.03 0.95 0.16 -0.07 -1.03 0.00 0.00 178.44 178.48 2tmd h LEU 203 N -0.38 0.18 -0.31 0.65 4.07 -1.27 0.89 115.31 119.13 2tmd h LEU 203 Ca -0.03 0.04 0.01 0.00 0.08 0.00 0.00 57.88 57.98 2tmd h LEU 203 Cb 1.01 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.76 2tmd h LEU 203 CO 0.06 0.14 0.20 -0.33 -1.08 0.00 0.00 178.44 177.42 2tmd h GLU 204 N 0.33 0.39 -0.71 1.13 5.08 -1.26 -1.19 114.58 118.35 2tmd h GLU 204 Ca 0.20 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2tmd h GLU 204 Cb 0.17 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2tmd h GLU 204 CO -0.19 0.26 0.25 1.15 -1.00 0.00 0.00 179.01 179.48 2tmd h THR 205 N 0.40 1.25 -0.83 1.13 2.02 -0.79 -1.90 112.91 114.20 2tmd h THR 205 Ca 0.12 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 2tmd h THR 205 Cb -0.03 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 2tmd h THR 205 CO -0.04 0.33 0.39 -0.07 0.37 0.00 0.00 175.52 176.51 2tmd h LEU 206 N 1.04 1.09 -0.50 2.58 3.38 -0.47 -1.53 115.31 120.90 2tmd h LEU 206 Ca 0.23 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2tmd h LEU 206 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2tmd h LEU 206 CO -0.01 0.92 -0.08 -0.08 0.09 0.00 0.00 178.44 179.27 2tmd h GLU 207 N 1.19 0.94 -0.28 1.13 4.81 -0.85 -0.77 114.58 120.74 2tmd h GLU 207 Ca 0.29 -0.34 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 2tmd h GLU 207 Cb 0.12 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2tmd h GLU 207 CO -0.04 1.00 -0.41 0.87 -0.73 0.00 0.00 179.01 179.71 2tmd h LYS 208 N 0.79 0.77 -0.34 1.92 1.57 -1.11 -0.42 116.57 119.76 2tmd h LYS 208 Ca 0.13 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 2tmd h LYS 208 Cb 0.63 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2tmd h LYS 208 CO 0.04 1.08 0.13 0.28 -0.57 0.00 0.00 179.45 180.41 2tmd h VAL 209 N 0.53 1.19 -0.33 0.50 2.07 -1.25 -1.07 116.25 117.89 2tmd h VAL 209 Ca 0.03 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.97 2tmd h VAL 209 Cb 1.00 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2tmd h VAL 209 CO 0.09 0.21 0.15 0.50 0.02 0.00 0.00 177.57 178.55 2tmd h LYS 210 N 0.40 0.31 -0.82 1.57 3.64 -1.08 0.06 116.57 120.65 2tmd h LYS 210 Ca 0.11 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2tmd h LYS 210 Cb 0.21 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2tmd h LYS 210 CO -0.01 0.20 0.51 1.25 -2.27 0.00 0.00 179.45 179.14 2tmd h HIS 211 N 0.32 1.06 0.06 1.91 2.76 -0.97 0.77 115.15 121.06 2tmd h HIS 211 Ca 0.14 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2tmd h HIS 211 Cb 0.07 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.68 2tmd h HIS 211 CO -0.11 0.69 -0.03 0.00 -1.30 0.00 0.00 177.93 177.18 2tmd h ALA 212 N 1.44 -0.08 0.00 5.26 0.00 0.05 -3.40 119.26 122.53 2tmd h ALA 212 Ca 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2tmd h ALA 212 Cb -0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2tmd h ALA 212 CO -0.06 -0.31 0.00 1.33 0.00 0.00 0.00 179.25 180.21 2tmd n VAL 213 N -4.91 0.16 0.31 0.00 0.24 -0.11 -4.80 118.33 109.22 2tmd n VAL 213 Ca -0.08 -0.34 0.20 0.00 -2.04 0.00 0.00 64.34 62.07 2tmd n VAL 213 Cb 0.25 1.25 1.01 0.00 -1.47 0.00 0.00 33.84 34.87 2tmd n VAL 213 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2tmd h GLY 214 N 0.00 0.00 1.34 7.63 0.00 0.47 0.72 103.07 113.23 2tmd h GLY 214 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2tmd h GLY 214 CO 0.00 0.00 -0.00 0.23 0.00 0.00 0.00 176.54 176.77 2tmd h SER 215 N 0.00 0.77 0.00 0.19 0.87 -1.87 -3.34 113.55 110.16 2tmd h SER 215 Ca -0.00 -0.19 -0.18 0.00 -1.23 0.00 0.00 61.79 60.20 2tmd h SER 215 Cb 0.16 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 2tmd h SER 215 CO 0.00 0.84 -1.98 0.47 -0.53 0.00 0.00 176.83 175.62 2tmd n ASP 216 N -4.21 1.01 -4.28 6.23 8.00 0.04 -4.94 116.55 118.39 2tmd n ASP 216 Ca 0.02 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.26 2tmd n ASP 216 Cb 0.30 1.26 -0.14 0.00 -0.02 0.00 0.00 41.12 42.52 2tmd n ASP 216 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2tmd s ALA 218 N -0.84 3.22 -0.27 0.00 0.00 -0.24 -4.41 121.76 119.22 2tmd s ALA 218 Ca 0.09 1.09 -0.03 0.00 0.00 0.00 0.00 51.96 53.10 2tmd s ALA 218 Cb -0.09 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.62 2tmd s ALA 218 CO 0.02 -0.64 -0.01 0.42 0.00 0.00 0.00 175.76 175.55 2tmd s ILE 219 N -1.32 3.22 0.32 0.00 -1.09 -1.26 -1.12 121.20 119.95 2tmd s ILE 219 Ca 0.56 -0.96 0.09 0.00 -2.23 0.00 0.00 60.65 58.11 2tmd s ILE 219 Cb -0.34 -2.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.83 2tmd s ILE 219 CO 0.44 0.13 0.07 0.00 -1.23 0.00 0.00 174.94 174.34 2tmd s ALA 220 N 1.37 3.32 -0.01 9.38 0.00 -0.15 -0.03 121.76 135.65 2tmd s ALA 220 Ca 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.15 2tmd s ALA 220 Cb -0.17 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.31 2tmd s ALA 220 CO -0.02 0.11 -0.01 -0.08 0.00 0.00 0.00 175.76 175.75 2tmd s THR 221 N -2.42 0.16 -0.27 0.00 -1.32 -1.13 -0.91 115.64 109.73 2tmd s THR 221 Ca 0.35 -0.04 -0.07 0.00 -1.21 0.00 0.00 61.69 60.72 2tmd s THR 221 Cb -0.03 -0.17 -0.00 0.00 -1.51 0.00 0.00 72.50 70.79 2tmd s THR 221 CO 0.21 0.07 0.07 -0.60 -2.21 0.00 0.00 174.62 172.15 2tmd s ARG 222 N 0.21 3.29 -0.09 7.08 6.06 -1.11 -1.10 118.95 133.29 2tmd s ARG 222 Ca -0.02 -0.72 0.02 0.00 -2.50 0.00 0.00 55.73 52.52 2tmd s ARG 222 Cb -0.04 -3.32 0.01 0.00 0.06 0.00 0.00 34.95 31.66 2tmd s ARG 222 CO -0.01 -0.34 -0.15 0.12 -2.50 0.00 0.00 175.30 172.42 2tmd s PHE 223 N 1.53 1.89 -0.87 5.12 5.36 0.59 0.21 117.98 131.82 2tmd s PHE 223 Ca 0.04 -0.82 -0.24 0.00 -0.96 0.00 0.00 56.93 54.95 2tmd s PHE 223 Cb -0.16 -1.35 0.05 0.00 -0.34 0.00 0.00 43.02 41.21 2tmd s PHE 223 CO 0.02 -0.41 1.32 0.20 -1.46 0.00 0.00 175.22 174.89 2tmd s GLY 224 N 0.80 1.16 0.49 13.12 0.00 -0.95 -1.00 107.32 120.94 2tmd s GLY 224 Ca -0.11 -1.90 0.31 0.00 0.00 0.00 0.00 44.72 43.02 2tmd s GLY 224 CO 0.02 2.57 1.89 -0.24 0.00 0.00 0.00 173.10 177.34 2tmd h VAL 225 N 6.34 0.00 -2.47 1.40 3.04 -1.60 -3.42 116.25 119.55 2tmd h VAL 225 Ca -0.04 -0.54 -0.08 0.00 -1.01 0.00 0.00 66.70 65.03 2tmd h VAL 225 Cb 1.03 1.51 -0.25 0.00 -2.01 0.00 0.00 31.29 31.57 2tmd h VAL 225 CO 1.32 0.00 -0.23 -0.62 -1.01 0.00 0.00 177.57 177.04 2tmd s ASP 226 N -5.53 -0.61 0.00 3.17 -1.08 -1.26 -3.24 116.67 108.12 2tmd s ASP 226 Ca 0.03 1.06 0.28 0.00 -0.52 0.00 0.00 52.55 53.39 2tmd s ASP 226 Cb 0.09 0.99 1.65 0.00 -1.46 0.00 0.00 42.92 44.19 2tmd s ASP 226 CO 0.54 -0.21 2.03 0.41 0.52 0.00 0.00 175.17 178.47 2tmd n THR 227 N 4.40 0.00 -4.32 1.71 -1.04 -0.41 -0.70 114.28 113.92 2tmd n THR 227 Ca -0.21 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.45 2tmd n THR 227 Cb 0.55 -0.49 -0.09 0.00 -1.82 0.00 0.00 70.33 68.49 2tmd n THR 227 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2tmd n VAL 228 N -0.96 -0.51 0.15 12.58 0.24 -1.26 -4.17 118.33 124.39 2tmd n VAL 228 Ca 0.21 -0.26 0.02 0.00 -2.04 0.00 0.00 64.34 62.27 2tmd n VAL 228 Cb 0.10 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 2tmd n VAL 228 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2tmd n TYR 229 N -4.18 0.00 -2.98 6.34 4.01 -1.26 -5.01 117.16 114.08 2tmd n TYR 229 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2tmd n TYR 229 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 2tmd n TYR 229 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2tmd n GLY 230 N 0.47 -1.16 3.71 2.72 0.00 -1.26 -4.88 105.19 104.79 2tmd n GLY 230 Ca 0.02 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 2tmd n GLY 230 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2tmd n PRO 231 N 0.00 1.93 0.00 1.61 -0.02 -1.26 -3.35 135.00 133.91 2tmd n PRO 231 Ca 0.00 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2tmd n PRO 231 Cb 0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.05 2tmd n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2tmd n GLY 232 N 0.79 2.29 0.00 -1.23 0.00 -1.26 -5.03 105.19 100.74 2tmd n GLY 232 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2tmd n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2tmd n GLN 233 N -0.53 2.41 -2.57 1.61 6.02 -1.21 -3.83 117.38 119.28 2tmd n GLN 233 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2tmd n GLN 233 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 2tmd n GLN 233 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2tmd s ILE 234 N 0.15 4.50 -0.02 5.09 -1.09 -1.26 -4.93 121.20 123.64 2tmd s ILE 234 Ca 0.00 1.80 0.03 0.00 -2.23 0.00 0.00 60.65 60.25 2tmd s ILE 234 Cb 0.00 -4.16 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 2tmd s ILE 234 CO 0.00 0.03 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.03 2tmd s GLU 235 N 1.91 2.53 0.23 2.79 2.02 -1.26 -1.29 118.70 125.64 2tmd s GLU 235 Ca 0.53 -0.70 -0.03 0.00 0.02 0.00 0.00 54.97 54.79 2tmd s GLU 235 Cb -0.22 -2.45 0.24 0.00 0.10 0.00 0.00 34.13 31.80 2tmd s GLU 235 CO 0.22 0.62 1.66 0.00 0.02 0.00 0.00 175.26 177.77 2tmd h ALA 236 N 4.91 0.94 -0.00 5.21 0.00 -1.94 -1.03 119.26 127.34 2tmd h ALA 236 Ca -0.48 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2tmd h ALA 236 Cb 1.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2tmd h ALA 236 CO 0.52 0.61 -0.31 0.39 0.00 0.00 0.00 179.25 180.46 2tmd n GLU 237 N -4.12 0.49 0.00 0.00 1.02 -1.26 -0.56 120.64 116.21 2tmd n GLU 237 Ca 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 2tmd n GLU 237 Cb 0.42 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 2tmd n GLU 237 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2tmd n VAL 238 N -1.02 0.00 0.17 2.62 0.31 -0.72 -4.79 118.33 114.89 2tmd n VAL 238 Ca 0.10 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.47 2tmd n VAL 238 Cb 0.33 -0.32 0.23 0.00 -0.91 0.00 0.00 33.84 33.17 2tmd n VAL 238 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2tmd h ASP 239 N 0.00 0.00 0.75 4.52 3.32 -1.53 -3.31 116.42 120.17 2tmd h ASP 239 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2tmd h ASP 239 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2tmd h ASP 239 CO 0.00 0.45 -0.36 1.23 -1.72 0.00 0.00 179.24 178.84 2tmd h GLY 240 N 2.46 -1.05 1.55 2.75 0.00 -1.15 -1.39 103.07 106.24 2tmd h GLY 240 Ca -0.00 0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.66 2tmd h GLY 240 CO 0.06 -0.38 0.00 1.46 0.00 0.00 0.00 176.54 177.68 2tmd h GLN 241 N -1.06 0.56 -0.20 4.80 4.20 -0.97 -2.19 115.11 120.25 2tmd h GLN 241 Ca -0.10 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 2tmd h GLN 241 Cb 0.77 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 2tmd h GLN 241 CO 0.17 0.58 0.10 0.87 -0.67 0.00 0.00 178.83 179.88 2tmd h LYS 242 N 0.53 0.28 -0.64 1.46 1.57 -1.63 -1.19 116.57 116.95 2tmd h LYS 242 Ca 0.11 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2tmd h LYS 242 Cb 0.34 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2tmd h LYS 242 CO 0.01 0.30 0.21 0.35 -0.57 0.00 0.00 179.45 179.75 2tmd h PHE 243 N 0.19 0.99 -0.27 -1.35 3.57 -0.92 -1.32 116.94 117.84 2tmd h PHE 243 Ca 0.07 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2tmd h PHE 243 Cb 0.11 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 2tmd h PHE 243 CO -0.03 0.78 0.10 0.28 -2.23 0.00 0.00 178.31 177.22 2tmd h VAL 244 N 0.94 0.95 -0.78 1.41 2.07 -1.08 0.26 116.25 120.01 2tmd h VAL 244 Ca 0.21 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.70 2tmd h VAL 244 Cb 0.25 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 2tmd h VAL 244 CO -0.01 0.04 0.51 -0.33 0.02 0.00 0.00 177.57 177.80 2tmd h GLU 245 N 0.23 0.89 -0.38 1.57 5.08 -0.80 0.12 114.58 121.29 2tmd h GLU 245 Ca 0.12 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 2tmd h GLU 245 Cb 0.07 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2tmd h GLU 245 CO -0.11 0.59 -0.33 0.52 -1.00 0.00 0.00 179.01 178.68 2tmd h MET 246 N 0.92 0.89 0.00 2.33 2.86 -0.52 -3.28 114.93 118.13 2tmd h MET 246 Ca 0.32 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2tmd h MET 246 Cb 0.11 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2tmd h MET 246 CO -0.10 1.10 -0.68 0.00 1.06 0.00 0.00 176.91 178.30 2tmd n ALA 247 N -2.53 3.87 -0.15 6.32 0.00 0.01 -4.56 120.51 123.47 2tmd n ALA 247 Ca -0.02 -0.42 0.23 0.00 0.00 0.00 0.00 53.44 53.23 2tmd n ALA 247 Cb 0.51 -1.01 0.65 0.00 0.00 0.00 0.00 19.45 19.60 2tmd n ALA 247 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2tmd h ASP 248 N 0.00 0.13 0.84 0.00 3.58 -0.85 0.18 116.42 120.30 2tmd h ASP 248 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2tmd h ASP 248 Cb 0.52 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2tmd h ASP 248 CO 0.00 0.05 -0.34 -1.54 -2.88 0.00 0.00 179.24 174.53 2tmd n SER 249 N -4.37 0.46 0.01 2.28 3.41 -1.26 -3.61 113.62 110.53 2tmd n SER 249 Ca 0.16 0.14 -0.02 0.00 -0.26 0.00 0.00 58.87 58.89 2tmd n SER 249 Cb 0.78 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.53 2tmd n SER 249 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2tmd n LEU 250 N -1.75 0.74 -4.83 1.04 4.77 0.62 -4.95 117.00 112.65 2tmd n LEU 250 Ca 0.05 0.33 -0.31 0.00 -0.03 0.00 0.00 56.01 56.05 2tmd n LEU 250 Cb 0.37 0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2tmd n LEU 250 CO 0.33 0.21 -0.22 0.68 -1.33 0.00 0.00 177.39 177.06 2tmd s VAL 251 N -2.86 4.92 -0.36 4.08 -7.23 -1.15 -4.91 120.40 112.88 2tmd s VAL 251 Ca -0.04 -0.51 0.23 0.00 -1.81 0.00 0.00 61.98 59.84 2tmd s VAL 251 Cb 0.09 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 2tmd s VAL 251 CO 0.82 0.20 1.04 0.47 -0.31 0.00 0.00 175.10 177.32 2tmd n ASP 252 N 0.63 0.70 -3.63 4.85 8.00 0.96 -4.95 116.55 123.11 2tmd n ASP 252 Ca -0.09 0.16 -0.12 0.00 0.71 0.00 0.00 54.79 55.45 2tmd n ASP 252 Cb 0.52 0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 42.15 2tmd n ASP 252 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2tmd s MET 253 N -3.31 0.73 -0.20 -1.24 1.75 -1.24 -4.13 119.30 111.67 2tmd s MET 253 Ca 0.01 0.92 -0.12 0.00 -1.25 0.00 0.00 55.69 55.25 2tmd s MET 253 Cb 0.12 0.33 -0.05 0.00 2.84 0.00 0.00 34.83 38.07 2tmd s MET 253 CO 0.79 -0.10 0.21 -1.58 -0.65 0.00 0.00 175.02 173.69 2tmd s TRP 254 N 0.51 3.40 -0.27 4.11 0.52 0.15 -2.85 118.94 124.51 2tmd s TRP 254 Ca -0.01 0.41 0.01 0.00 0.02 0.00 0.00 56.10 56.54 2tmd s TRP 254 Cb -0.05 -2.27 0.06 0.00 -1.15 0.00 0.00 33.47 30.06 2tmd s TRP 254 CO -0.04 0.21 -0.08 0.34 0.02 0.00 0.00 176.95 177.40 2tmd s ASP 255 N 0.59 4.55 -0.12 2.95 -1.08 -0.26 -1.40 116.67 121.90 2tmd s ASP 255 Ca 0.11 -1.33 -0.03 0.00 -0.52 0.00 0.00 52.55 50.77 2tmd s ASP 255 Cb -0.12 -1.60 -0.03 0.00 -1.46 0.00 0.00 42.92 39.70 2tmd s ASP 255 CO 0.02 -0.21 0.02 -0.63 0.52 0.00 0.00 175.17 174.89 2tmd s ILE 256 N 1.15 4.41 0.36 4.11 -1.09 -0.64 -0.30 121.20 129.22 2tmd s ILE 256 Ca -0.07 -0.20 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 2tmd s ILE 256 Cb -0.20 -2.90 -0.03 0.00 -1.58 0.00 0.00 42.46 37.75 2tmd s ILE 256 CO -0.04 0.56 0.15 0.42 -1.23 0.00 0.00 174.94 174.80 2tmd s THR 257 N -0.47 0.50 0.09 2.92 -4.23 -0.17 -4.02 115.64 110.26 2tmd s THR 257 Ca 0.09 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 2tmd s THR 257 Cb -0.12 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 2tmd s THR 257 CO 0.02 0.00 -0.09 0.27 -0.54 0.00 0.00 174.62 174.28 2tmd s ILE 258 N -3.36 0.83 0.00 2.99 -4.36 -1.26 -1.43 121.20 114.61 2tmd s ILE 258 Ca 0.30 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 2tmd s ILE 258 Cb 0.04 -1.36 0.00 0.00 1.25 0.00 0.00 42.46 42.39 2tmd s ILE 258 CO 0.17 -0.62 0.00 0.61 0.24 0.00 0.00 174.94 175.33 2tmd n GLY 259 N 0.50 -2.63 0.00 6.27 0.00 0.12 -3.63 105.19 105.81 2tmd n GLY 259 Ca -0.16 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2tmd n GLY 259 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2tmd n ASP 260 N 0.05 0.50 -0.12 1.61 5.75 -1.26 -4.42 116.55 118.66 2tmd n ASP 260 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.57 2tmd n ASP 260 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 2tmd n ASP 260 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2tmd n ILE 261 N 0.00 1.53 0.11 2.12 0.13 -1.25 -3.48 119.36 118.51 2tmd n ILE 261 Ca 0.00 -0.51 0.11 0.00 -1.10 0.00 0.00 62.75 61.24 2tmd n ILE 261 Cb 0.00 -1.58 0.59 0.00 -0.84 0.00 0.00 39.64 37.81 2tmd n ILE 261 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2tmd h ALA 262 N -0.26 2.06 -1.49 1.51 0.00 -1.92 -3.07 119.26 116.09 2tmd h ALA 262 Ca -0.59 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 53.84 2tmd h ALA 262 Cb 1.82 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 19.17 2tmd h ALA 262 CO -0.16 -0.12 -1.02 0.39 0.00 0.00 0.00 179.25 178.34 2tmd n GLU 263 N -4.48 1.92 0.00 0.00 1.02 -1.26 -4.86 120.64 112.98 2tmd n GLU 263 Ca 0.03 -3.78 0.10 0.00 -0.02 0.00 0.00 57.16 53.49 2tmd n GLU 263 Cb 0.24 -1.70 0.57 0.00 -0.02 0.00 0.00 31.44 30.53 2tmd n GLU 263 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 2tmd n TRP 264 N -0.11 0.00 0.22 -0.32 4.27 -1.16 -1.66 117.44 118.67 2tmd n TRP 264 Ca 0.22 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.98 2tmd n TRP 264 Cb 0.70 0.00 0.80 0.00 -1.36 0.00 0.00 31.31 31.45 2tmd n TRP 264 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 2tmd h GLY 265 N 4.86 0.00 1.88 -1.67 0.00 -1.80 0.16 103.07 106.50 2tmd h GLY 265 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2tmd h GLY 265 CO 0.00 0.00 -0.65 0.83 0.00 0.00 0.00 176.54 176.72 2tmd h GLU 266 N 0.00 0.12 0.04 4.80 4.39 -1.64 -2.95 114.58 119.34 2tmd h GLU 266 Ca 0.00 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2tmd h GLU 266 Cb 0.01 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2tmd h GLU 266 CO 0.00 0.73 -0.02 0.22 -1.16 0.00 0.00 179.01 178.78 2tmd h ASP 267 N 0.08 -0.05 -0.11 1.42 3.58 -1.05 -3.39 116.42 116.91 2tmd h ASP 267 Ca -0.01 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.76 2tmd h ASP 267 Cb 1.17 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 2tmd h ASP 267 CO 0.09 0.06 2.75 0.00 -2.88 0.00 0.00 179.24 179.26 2tmd n ALA 268 N -2.17 4.64 -2.05 -0.78 0.00 0.36 -4.93 120.51 115.58 2tmd n ALA 268 Ca -0.01 -3.70 -0.42 0.00 0.00 0.00 0.00 53.44 49.31 2tmd n ALA 268 Cb 0.02 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 15.88 2tmd n ALA 268 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2tmd s GLY 269 N 3.89 1.45 0.55 0.00 0.00 -1.11 -4.56 107.32 107.53 2tmd s GLY 269 Ca 0.51 0.80 -0.21 0.00 0.00 0.00 0.00 44.72 45.82 2tmd s GLY 269 CO -0.01 3.01 1.30 -4.14 0.00 0.00 0.00 173.10 173.26 2tmd s PRO 270 N 4.20 3.18 0.51 2.90 0.02 -1.26 -4.71 135.00 139.84 2tmd s PRO 270 Ca 0.72 2.08 0.28 0.00 0.02 0.00 0.00 61.00 64.11 2tmd s PRO 270 Cb -0.31 -2.20 1.31 0.00 0.02 0.00 0.00 34.50 33.32 2tmd s PRO 270 CO 0.29 -1.11 1.99 0.66 -0.33 0.00 0.00 177.00 178.49 2tmd h SER 271 N 1.41 0.00 -0.62 2.53 4.64 -1.42 0.34 113.55 120.43 2tmd h SER 271 Ca -0.51 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 60.97 2tmd h SER 271 Cb 1.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 2tmd h SER 271 CO 0.57 0.13 0.44 -0.09 -0.87 0.00 0.00 176.83 177.01 2tmd h ARG 272 N 0.00 0.11 0.00 4.77 2.43 -1.76 -3.26 114.38 116.67 2tmd h ARG 272 Ca -0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2tmd h ARG 272 Cb 0.49 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2tmd h ARG 272 CO 0.02 0.07 -1.17 1.19 -1.51 0.00 0.00 179.97 178.57 2tmd n PHE 273 N -4.40 0.00 -4.48 2.20 3.72 -0.32 -4.73 117.46 109.45 2tmd n PHE 273 Ca 0.12 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.30 2tmd n PHE 273 Cb 0.61 -0.12 -0.14 0.00 -0.94 0.00 0.00 39.48 38.90 2tmd n PHE 273 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2tmd s TYR 274 N -2.06 1.34 0.38 1.38 2.02 0.10 -5.03 117.35 115.48 2tmd s TYR 274 Ca -0.02 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 2tmd s TYR 274 Cb 0.01 -0.81 -0.00 0.00 -0.40 0.00 0.00 41.96 40.75 2tmd s TYR 274 CO 0.09 0.03 0.54 -0.65 -1.57 0.00 0.00 175.55 173.99 2tmd s GLN 275 N -0.93 3.02 0.10 -0.62 -0.21 -1.26 -4.06 119.66 115.70 2tmd s GLN 275 Ca 0.04 -0.95 -0.36 0.00 0.02 0.00 0.00 55.36 54.11 2tmd s GLN 275 Cb -0.07 -2.74 -0.16 0.00 1.00 0.00 0.00 33.01 31.03 2tmd s GLN 275 CO 0.01 -0.10 1.35 0.94 -2.12 0.00 0.00 175.29 175.36 2tmd n GLN 276 N -1.80 1.21 -0.88 2.91 7.27 -1.26 -1.39 117.38 123.44 2tmd n GLN 276 Ca 0.02 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.53 2tmd n GLN 276 Cb 0.58 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 31.15 2tmd n GLN 276 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2tmd n GLY 277 N 2.55 0.52 0.31 1.69 0.00 0.46 -4.94 105.19 105.78 2tmd n GLY 277 Ca 0.18 -0.37 0.18 0.00 0.00 0.00 0.00 46.02 46.01 2tmd n GLY 277 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2tmd h HIS 278 N 0.00 0.00 0.00 1.61 2.07 -1.43 -2.49 115.15 114.91 2tmd h HIS 278 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2tmd h HIS 278 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2tmd h HIS 278 CO 0.00 0.01 -0.48 0.25 -3.07 0.00 0.00 177.93 174.64 2tmd n THR 279 N -3.50 0.02 -0.26 6.12 -2.24 -1.26 -4.47 114.28 108.70 2tmd n THR 279 Ca -0.03 -0.02 0.04 0.00 -2.27 0.00 0.00 64.05 61.77 2tmd n THR 279 Cb 0.10 0.18 0.17 0.00 -2.10 0.00 0.00 70.33 68.67 2tmd n THR 279 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2tmd h ILE 280 N 0.00 0.75 -0.46 2.28 2.04 -1.78 -1.26 117.51 119.08 2tmd h ILE 280 Ca 0.00 -0.18 0.13 0.00 1.00 0.00 0.00 64.86 65.81 2tmd h ILE 280 Cb 0.52 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2tmd h ILE 280 CO 0.00 0.10 0.41 -0.65 0.00 0.00 0.00 178.15 178.00 2tmd h PRO 281 N 0.53 0.00 0.07 2.37 0.11 -1.83 -0.50 132.00 132.76 2tmd h PRO 281 Ca 0.39 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.15 2tmd h PRO 281 Cb 0.52 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 2tmd h PRO 281 CO -0.34 0.00 -2.01 0.91 -0.21 0.00 0.00 178.00 176.35 2tmd n TRP 282 N -4.00 0.91 -0.23 0.65 8.01 -0.55 -4.46 117.44 117.76 2tmd n TRP 282 Ca 0.08 0.23 -0.06 0.00 -1.31 0.00 0.00 57.50 56.44 2tmd n TRP 282 Cb 0.60 -1.11 0.08 0.00 -2.01 0.00 0.00 31.31 28.87 2tmd n TRP 282 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 2tmd h VAL 283 N -0.18 1.26 0.00 -0.99 2.07 -0.37 -2.82 116.25 115.22 2tmd h VAL 283 Ca -0.46 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 2tmd h VAL 283 Cb 1.87 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2tmd h VAL 283 CO -0.03 0.36 -0.04 0.07 0.02 0.00 0.00 177.57 177.96 2tmd h LYS 284 N 1.03 0.00 -0.17 1.57 2.10 -1.37 -1.98 116.57 117.76 2tmd h LYS 284 Ca 0.22 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.80 2tmd h LYS 284 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2tmd h LYS 284 CO 0.00 0.04 -0.19 -0.07 -2.00 0.00 0.00 179.45 177.23 2tmd h LEU 285 N 0.00 0.27 -0.48 7.07 3.38 -1.72 -2.23 115.31 121.60 2tmd h LEU 285 Ca -0.00 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 2tmd h LEU 285 Cb 0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2tmd h LEU 285 CO 0.00 0.48 -0.34 0.58 0.09 0.00 0.00 178.44 179.26 2tmd h VAL 286 N 0.26 1.27 0.00 1.22 2.07 -1.49 -2.58 116.25 117.01 2tmd h VAL 286 Ca 0.05 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 2tmd h VAL 286 Cb 0.49 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2tmd h VAL 286 CO 0.03 0.50 -0.01 0.50 0.02 0.00 0.00 177.57 178.62 2tmd h LYS 287 N 0.74 0.00 -0.08 1.57 1.63 -1.46 -2.01 116.57 116.95 2tmd h LYS 287 Ca 0.07 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.77 2tmd h LYS 287 Cb 0.91 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 2tmd h LYS 287 CO 0.08 0.01 -0.39 1.96 -3.45 0.00 0.00 179.45 177.66 2tmd h GLN 288 N 0.00 0.18 -0.04 1.90 4.20 -1.26 -3.30 115.11 116.79 2tmd h GLN 288 Ca -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2tmd h GLN 288 Cb 0.01 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2tmd h GLN 288 CO 0.00 0.55 0.00 1.33 -0.67 0.00 0.00 178.83 180.04 2tmd n VAL 289 N -4.05 0.36 -4.17 -0.54 0.24 -0.81 -5.03 118.33 104.32 2tmd n VAL 289 Ca -0.01 -0.68 -0.28 0.00 -2.04 0.00 0.00 64.34 61.32 2tmd n VAL 289 Cb 0.45 0.87 -0.08 0.00 -1.47 0.00 0.00 33.84 33.61 2tmd n VAL 289 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2tmd s SER 290 N -0.54 4.84 0.00 -1.34 0.15 -0.88 -4.61 113.70 111.32 2tmd s SER 290 Ca 0.05 -0.31 0.06 0.00 0.70 0.00 0.00 55.95 56.46 2tmd s SER 290 Cb 0.03 -1.07 0.12 0.00 -1.71 0.00 0.00 66.02 63.39 2tmd s SER 290 CO 0.04 0.13 0.95 0.29 1.20 0.00 0.00 173.24 175.86 2tmd n LYS 291 N 0.23 1.60 -4.07 5.44 4.76 -1.26 -4.93 118.16 119.94 2tmd n LYS 291 Ca -0.11 -1.41 -0.22 0.00 -2.87 0.00 0.00 58.31 53.70 2tmd n LYS 291 Cb 0.54 -1.14 -0.04 0.00 -1.84 0.00 0.00 35.03 32.54 2tmd n LYS 291 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2tmd s LYS 292 N -0.80 2.95 -0.03 1.97 -0.14 -1.26 -5.07 119.74 117.36 2tmd s LYS 292 Ca 0.11 -1.05 -0.36 0.00 -1.36 0.00 0.00 55.97 53.31 2tmd s LYS 292 Cb 0.06 -2.58 -0.14 0.00 -1.68 0.00 0.00 37.83 33.49 2tmd s LYS 292 CO 0.09 0.37 1.69 -2.30 -0.76 0.00 0.00 175.35 174.43 2tmd n PRO 293 N -1.22 1.80 -4.98 -1.68 -0.02 -1.26 -4.82 135.00 122.82 2tmd n PRO 293 Ca -0.07 0.66 -0.31 0.00 -2.02 0.00 0.00 63.50 61.75 2tmd n PRO 293 Cb 0.58 -2.42 -0.14 0.00 -0.02 0.00 0.00 33.50 31.50 2tmd n PRO 293 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2tmd s VAL 294 N 2.54 2.47 0.08 -1.45 0.11 -1.26 -0.67 120.40 122.22 2tmd s VAL 294 Ca 0.89 -1.10 0.06 0.00 -2.93 0.00 0.00 61.98 58.90 2tmd s VAL 294 Cb -0.81 -1.95 -0.03 0.00 -1.53 0.00 0.00 36.38 32.06 2tmd s VAL 294 CO 0.50 0.48 -0.16 -1.48 -3.33 0.00 0.00 175.10 171.11 2tmd s LEU 295 N -0.96 2.29 -0.15 2.54 0.05 -0.49 -0.87 118.68 121.09 2tmd s LEU 295 Ca 0.12 -0.64 -0.05 0.00 0.05 0.00 0.00 54.13 53.61 2tmd s LEU 295 Cb -0.10 -0.62 0.07 0.00 -2.05 0.00 0.00 46.19 43.49 2tmd s LEU 295 CO 0.01 -0.04 0.28 -0.83 -0.55 0.00 0.00 176.35 175.22 2tmd s GLY 296 N -1.82 -0.14 0.82 -3.48 0.00 -1.26 -1.61 107.32 99.83 2tmd s GLY 296 Ca 0.01 0.91 -0.13 0.00 0.00 0.00 0.00 44.72 45.50 2tmd s GLY 296 CO 0.03 2.05 1.06 3.33 0.00 0.00 0.00 173.10 179.57 2tmd n VAL 297 N 5.35 1.76 -2.59 1.40 0.24 -1.26 -4.67 118.33 118.56 2tmd n VAL 297 Ca -0.06 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.34 62.00 2tmd n VAL 297 Cb 0.50 -1.09 0.04 0.00 -1.47 0.00 0.00 33.84 31.81 2tmd n VAL 297 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2tmd n GLY 298 N 0.74 -0.00 3.92 7.63 0.00 -1.26 -4.67 105.19 111.55 2tmd n GLY 298 Ca 0.13 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2tmd n GLY 298 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2tmd n ARG 299 N -0.55 -0.91 -2.81 1.61 0.63 -1.26 -0.40 116.66 112.97 2tmd n ARG 299 Ca -0.11 0.25 -0.43 0.00 -0.92 0.00 0.00 57.85 56.65 2tmd n ARG 299 Cb 0.65 -3.38 -0.04 0.00 0.45 0.00 0.00 32.46 30.14 2tmd n ARG 299 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2tmd s TYR 300 N -3.58 2.89 -0.01 -0.14 2.02 -1.26 -4.57 117.35 112.70 2tmd s TYR 300 Ca 0.42 0.34 0.06 0.00 -0.37 0.00 0.00 57.07 57.53 2tmd s TYR 300 Cb -0.20 -4.01 -0.10 0.00 -0.40 0.00 0.00 41.96 37.25 2tmd s TYR 300 CO 0.92 -1.15 0.13 0.25 -1.57 0.00 0.00 175.55 174.13 2tmd n THR 301 N 6.41 0.04 -3.64 -0.71 -2.24 -1.26 -4.78 114.28 108.11 2tmd n THR 301 Ca 0.06 -0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.30 2tmd n THR 301 Cb 0.48 0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 68.83 2tmd n THR 301 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2tmd s ASP 302 N -2.86 5.90 0.54 3.42 -1.08 -1.26 -4.97 116.67 116.37 2tmd s ASP 302 Ca -0.02 -0.01 0.22 0.00 -0.52 0.00 0.00 52.55 52.21 2tmd s ASP 302 Cb 0.04 -2.09 1.44 0.00 -1.46 0.00 0.00 42.92 40.86 2tmd s ASP 302 CO 0.27 -0.02 2.12 -0.65 0.52 0.00 0.00 175.17 177.41 2tmd h PRO 303 N 8.15 0.00 -0.59 4.34 0.11 -1.98 0.04 132.00 142.07 2tmd h PRO 303 Ca -0.36 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.66 2tmd h PRO 303 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2tmd h PRO 303 CO 0.58 0.00 0.02 0.93 -0.21 0.00 0.00 178.00 179.32 2tmd h GLU 304 N 0.00 1.03 -0.27 1.05 4.39 -1.99 -1.34 114.58 117.44 2tmd h GLU 304 Ca 0.07 -0.32 -0.17 0.00 0.34 0.00 0.00 59.36 59.28 2tmd h GLU 304 Cb 0.31 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2tmd h GLU 304 CO -0.00 1.01 -0.51 -0.22 -1.16 0.00 0.00 179.01 178.12 2tmd h LYS 305 N 0.93 0.83 -0.42 2.33 3.11 -1.53 -2.62 116.57 119.19 2tmd h LYS 305 Ca 0.17 -0.53 0.06 0.00 -2.81 0.00 0.00 60.65 57.55 2tmd h LYS 305 Cb 0.53 0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.77 2tmd h LYS 305 CO 0.03 1.16 0.11 0.52 -2.81 0.00 0.00 179.45 178.45 2tmd h MET 306 N 0.59 0.24 0.00 1.90 2.86 -0.93 -0.51 114.93 119.08 2tmd h MET 306 Ca 0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2tmd h MET 306 Cb 1.12 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 2tmd h MET 306 CO 0.11 0.16 -0.03 -0.84 1.06 0.00 0.00 176.91 177.37 2tmd h ILE 307 N 0.25 0.08 -0.05 -1.22 3.07 -1.26 -2.96 117.51 115.41 2tmd h ILE 307 Ca 0.20 -0.77 -0.01 0.00 1.55 0.00 0.00 64.86 65.83 2tmd h ILE 307 Cb 0.23 1.71 -0.00 0.00 -0.27 0.00 0.00 36.82 38.49 2tmd h ILE 307 CO -0.25 0.03 -0.02 -0.08 -1.05 0.00 0.00 178.15 176.78 2tmd h GLU 308 N 0.00 0.10 0.00 0.16 4.81 -0.72 -0.01 114.58 118.92 2tmd h GLU 308 Ca -0.00 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 2tmd h GLU 308 Cb 0.71 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2tmd h GLU 308 CO 0.00 0.49 -0.45 -0.84 -0.73 0.00 0.00 179.01 177.48 2tmd h ILE 309 N -0.29 1.05 -0.02 2.32 3.07 -1.31 0.02 117.51 122.35 2tmd h ILE 309 Ca 0.01 -1.72 -0.05 0.00 1.55 0.00 0.00 64.86 64.65 2tmd h ILE 309 Cb 0.46 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 39.02 2tmd h ILE 309 CO 0.01 0.44 -0.19 0.58 -1.05 0.00 0.00 178.15 177.95 2tmd h VAL 310 N 0.00 1.51 0.00 0.16 2.07 -1.47 0.34 116.25 118.86 2tmd h VAL 310 Ca -0.00 -1.77 -0.13 0.00 0.82 0.00 0.00 66.70 65.61 2tmd h VAL 310 Cb 0.97 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 2tmd h VAL 310 CO 0.06 0.48 -0.62 0.71 0.02 0.00 0.00 177.57 178.22 2tmd h THR 311 N -0.47 1.28 0.00 2.57 1.35 -0.89 -2.10 112.91 114.65 2tmd h THR 311 Ca -0.02 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 2tmd h THR 311 Cb 0.89 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 2tmd h THR 311 CO 0.04 0.61 0.00 0.29 -0.25 0.00 0.00 175.52 176.21 2tmd n LYS 312 N -3.55 0.13 -1.79 4.72 4.76 -0.02 -4.92 118.16 117.49 2tmd n LYS 312 Ca -0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2tmd n LYS 312 Cb 0.68 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 2tmd n LYS 312 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2tmd n GLY 313 N 1.36 0.44 0.08 0.72 0.00 -0.79 -4.95 105.19 102.04 2tmd n GLY 313 Ca 0.09 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 2tmd n GLY 313 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2tmd h TYR 314 N 0.00 0.00 -3.27 1.61 0.05 -0.55 -3.47 116.97 111.34 2tmd h TYR 314 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2tmd h TYR 314 Cb 0.83 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.45 2tmd h TYR 314 CO 0.00 0.95 0.02 0.00 -1.05 0.00 0.00 178.16 178.08 2tmd s ALA 315 N -2.67 -1.13 -0.16 3.88 0.00 -0.98 -4.45 121.76 116.24 2tmd s ALA 315 Ca -0.02 0.09 0.11 0.00 0.00 0.00 0.00 51.96 52.14 2tmd s ALA 315 Cb 0.09 0.77 -0.18 0.00 0.00 0.00 0.00 23.12 23.80 2tmd s ALA 315 CO 0.82 -0.70 0.00 -0.25 0.00 0.00 0.00 175.76 175.63 2tmd n ASP 316 N -0.28 1.43 -4.30 0.00 9.92 -0.05 -3.97 116.55 119.30 2tmd n ASP 316 Ca -0.16 -0.02 -0.26 0.00 -0.53 0.00 0.00 54.79 53.81 2tmd n ASP 316 Cb 0.64 0.62 -0.14 0.00 -0.64 0.00 0.00 41.12 41.60 2tmd n ASP 316 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2tmd s ILE 317 N -2.38 1.85 -0.49 0.53 1.01 -1.15 -4.95 121.20 115.63 2tmd s ILE 317 Ca -0.12 -1.40 -0.19 0.00 0.00 0.00 0.00 60.65 58.93 2tmd s ILE 317 Cb 0.05 -1.63 0.05 0.00 0.01 0.00 0.00 42.46 40.94 2tmd s ILE 317 CO 0.60 0.15 0.62 -0.63 0.00 0.00 0.00 174.94 175.68 2tmd s ILE 318 N -0.93 4.87 -0.18 2.92 -1.09 0.76 -4.47 121.20 123.08 2tmd s ILE 318 Ca 0.09 -0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 58.07 2tmd s ILE 318 Cb -0.09 -4.26 -0.05 0.00 -1.58 0.00 0.00 42.46 36.47 2tmd s ILE 318 CO 0.03 -0.74 0.18 -0.83 -1.23 0.00 0.00 174.94 172.36 2tmd s GLY 319 N 2.47 2.11 0.01 6.18 0.00 -1.26 -0.52 107.32 116.31 2tmd s GLY 319 Ca 0.17 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.29 2tmd s GLY 319 CO 0.14 0.18 -0.03 0.00 0.00 0.00 0.00 173.10 173.39 2tmd n ALA 321 N 2.34 2.89 -0.24 0.00 0.00 -1.26 -2.05 120.51 122.19 2tmd n ALA 321 Ca -0.18 -0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 2tmd n ALA 321 Cb 0.57 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.07 2tmd n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tmd h ARG 322 N 0.00 0.91 -0.82 0.00 3.08 -1.97 -2.22 114.38 113.35 2tmd h ARG 322 Ca 0.00 -0.08 0.19 0.00 0.07 0.00 0.00 59.98 60.16 2tmd h ARG 322 Cb 0.00 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 29.81 2tmd h ARG 322 CO 0.00 0.65 0.56 -1.35 -1.07 0.00 0.00 179.97 178.75 2tmd h PRO 323 N 0.91 0.31 0.00 0.04 0.11 -1.90 0.59 132.00 132.06 2tmd h PRO 323 Ca 0.24 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 2tmd h PRO 323 Cb -0.03 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 2tmd h PRO 323 CO -0.05 0.20 -0.41 0.66 -0.21 0.00 0.00 178.00 178.20 2tmd h SER 324 N 0.32 0.00 -0.03 -2.05 4.64 -1.64 -1.32 113.55 113.47 2tmd h SER 324 Ca 0.42 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.56 2tmd h SER 324 Cb 1.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2tmd h SER 324 CO -0.12 0.35 -0.68 0.40 -0.87 0.00 0.00 176.83 175.90 2tmd h ILE 325 N 0.00 1.38 -0.06 0.95 2.04 -0.53 -2.66 117.51 118.63 2tmd h ILE 325 Ca -0.01 -2.06 -0.13 0.00 1.00 0.00 0.00 64.86 63.66 2tmd h ILE 325 Cb 1.27 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 2tmd h ILE 325 CO 0.04 0.61 -0.56 0.00 0.00 0.00 0.00 178.15 178.25 2tmd h ALA 326 N 0.37 0.96 -2.18 1.87 0.00 -1.13 -3.40 119.26 115.76 2tmd h ALA 326 Ca -0.08 -0.51 -0.42 0.00 0.00 0.00 0.00 54.91 53.90 2tmd h ALA 326 Cb 1.37 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 18.73 2tmd h ALA 326 CO 0.14 0.70 -0.72 0.34 0.00 0.00 0.00 179.25 179.70 2tmd s ASP 327 N -6.88 1.82 0.64 0.00 -1.08 -0.50 -4.40 116.67 106.26 2tmd s ASP 327 Ca -0.03 -1.58 0.29 0.00 -0.52 0.00 0.00 52.55 50.71 2tmd s ASP 327 Cb 0.13 0.27 1.57 0.00 -1.46 0.00 0.00 42.92 43.43 2tmd s ASP 327 CO 0.78 -0.30 1.91 -0.65 0.52 0.00 0.00 175.17 177.43 2tmd h PRO 328 N 7.32 0.00 -0.30 4.34 0.11 -1.69 -2.07 132.00 139.72 2tmd h PRO 328 Ca 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2tmd h PRO 328 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2tmd h PRO 328 CO 0.25 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.23 2tmd n PHE 329 N -3.15 1.08 -0.23 0.65 3.01 -1.26 -4.27 117.46 113.29 2tmd n PHE 329 Ca 0.01 -0.89 0.02 0.00 1.01 0.00 0.00 57.45 57.59 2tmd n PHE 329 Cb 0.46 -0.35 0.13 0.00 -0.01 0.00 0.00 39.48 39.72 2tmd n PHE 329 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2tmd h LEU 330 N 1.99 0.31 0.00 4.37 5.85 -1.62 -1.63 115.31 124.58 2tmd h LEU 330 Ca 0.01 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2tmd h LEU 330 Cb 1.52 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 2tmd h LEU 330 CO 0.26 0.17 -0.02 -0.65 -0.34 0.00 0.00 178.44 177.86 2tmd h PRO 331 N 0.47 -0.03 -0.95 5.25 0.11 -1.84 -1.80 132.00 133.21 2tmd h PRO 331 Ca 0.34 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.47 2tmd h PRO 331 Cb 0.43 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.50 2tmd h PRO 331 CO -0.32 -0.02 0.63 0.37 -0.21 0.00 0.00 178.00 178.45 2tmd h GLN 332 N -0.03 1.22 -0.51 1.05 4.15 -0.83 0.43 115.11 120.59 2tmd h GLN 332 Ca 0.01 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 2tmd h GLN 332 Cb 0.04 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 2tmd h GLN 332 CO -0.02 0.81 -0.12 0.87 -1.93 0.00 0.00 178.83 178.44 2tmd h LYS 333 N 1.26 0.96 -0.30 1.69 1.57 -1.07 -0.37 116.57 120.30 2tmd h LYS 333 Ca 0.35 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2tmd h LYS 333 Cb -0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2tmd h LYS 333 CO -0.09 1.02 -0.04 0.28 -0.57 0.00 0.00 179.45 180.05 2tmd h VAL 334 N 0.85 1.27 -0.83 0.50 2.07 -0.93 0.28 116.25 119.47 2tmd h VAL 334 Ca 0.13 -1.03 0.11 0.00 0.82 0.00 0.00 66.70 66.74 2tmd h VAL 334 Cb 0.67 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 2tmd h VAL 334 CO 0.05 0.33 0.45 -0.08 0.02 0.00 0.00 177.57 178.34 2tmd h GLU 335 N 0.33 0.70 -0.17 1.57 4.81 -0.61 -1.93 114.58 119.29 2tmd h GLU 335 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2tmd h GLU 335 Cb 0.50 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2tmd h GLU 335 CO 0.02 0.46 0.00 1.04 -0.73 0.00 0.00 179.01 179.81 2tmd n GLN 336 N -4.79 1.97 -1.07 1.92 6.02 -0.18 -4.38 117.38 116.88 2tmd n GLN 336 Ca 0.15 -1.45 -0.02 0.00 -0.01 0.00 0.00 57.00 55.66 2tmd n GLN 336 Cb 0.33 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 30.14 2tmd n GLN 336 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2tmd n GLY 337 N 1.25 0.56 2.35 1.08 0.00 -0.56 -4.15 105.19 105.72 2tmd n GLY 337 Ca 0.17 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2tmd n GLY 337 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2tmd n ARG 338 N -2.37 3.64 0.24 1.61 1.74 0.89 -4.71 116.66 117.70 2tmd n ARG 338 Ca -0.02 -2.50 0.09 0.00 -0.77 0.00 0.00 57.85 54.65 2tmd n ARG 338 Cb 0.15 -2.55 0.62 0.00 -1.02 0.00 0.00 32.46 29.65 2tmd n ARG 338 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2tmd h TYR 339 N 4.35 0.00 -0.18 -1.55 0.05 -1.92 -1.27 116.97 116.45 2tmd h TYR 339 Ca 0.67 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.45 2tmd h TYR 339 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2tmd h TYR 339 CO 1.73 0.16 0.00 -0.40 -1.05 0.00 0.00 178.16 178.60 2tmd n ASP 340 N -3.95 1.72 -0.89 3.88 5.75 -1.26 -2.92 116.55 118.88 2tmd n ASP 340 Ca -0.02 -1.73 0.11 0.00 -0.01 0.00 0.00 54.79 53.13 2tmd n ASP 340 Cb 0.25 -0.12 0.11 0.00 -1.03 0.00 0.00 41.12 40.33 2tmd n ASP 340 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2tmd n ASP 341 N 0.36 2.87 -4.68 -1.12 8.00 -0.48 -4.84 116.55 116.66 2tmd n ASP 341 Ca 0.16 -1.90 -0.42 0.00 0.71 0.00 0.00 54.79 53.34 2tmd n ASP 341 Cb 0.33 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 2tmd n ASP 341 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2tmd s ILE 342 N -1.70 4.50 -0.76 0.53 1.01 -1.15 -4.98 121.20 118.66 2tmd s ILE 342 Ca 0.27 1.80 -0.21 0.00 0.00 0.00 0.00 60.65 62.51 2tmd s ILE 342 Cb 0.18 -4.16 0.10 0.00 0.01 0.00 0.00 42.46 38.59 2tmd s ILE 342 CO 0.27 -0.03 1.00 -0.60 0.00 0.00 0.00 174.94 175.58 2tmd s ARG 343 N 2.34 3.29 -0.07 2.79 3.52 -1.26 -4.98 118.95 124.58 2tmd s ARG 343 Ca 0.52 -1.26 -0.30 0.00 -0.13 0.00 0.00 55.73 54.56 2tmd s ARG 343 Cb -0.21 -4.50 -0.02 0.00 -1.56 0.00 0.00 34.95 28.65 2tmd s ARG 343 CO 0.18 -1.77 1.09 0.08 -0.81 0.00 0.00 175.30 174.07 2tmd s VAL 344 N 3.36 4.54 0.19 7.11 1.01 -1.26 -4.02 120.40 131.33 2tmd s VAL 344 Ca 0.25 1.84 -0.33 0.00 0.00 0.00 0.00 61.98 63.74 2tmd s VAL 344 Cb -0.13 -4.18 -0.14 0.00 0.00 0.00 0.00 36.38 31.93 2tmd s VAL 344 CO 0.02 0.02 1.45 0.00 0.00 0.00 0.00 175.10 176.59 2tmd n ILE 346 N 2.53 0.22 -3.62 0.00 -5.35 -1.26 -4.98 119.36 106.91 2tmd n ILE 346 Ca 0.14 -0.44 -0.22 0.00 -0.27 0.00 0.00 62.75 61.96 2tmd n ILE 346 Cb 0.29 0.66 0.06 0.00 -1.74 0.00 0.00 39.64 38.91 2tmd n ILE 346 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2tmd n GLY 347 N 1.25 -0.40 0.04 3.28 0.00 -1.26 -4.47 105.19 103.63 2tmd n GLY 347 Ca 0.17 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.46 2tmd n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd n ASN 349 N -2.19 -5.56 0.11 0.00 4.13 -1.26 -4.87 115.26 105.61 2tmd n ASN 349 Ca -0.00 0.19 -0.03 0.00 1.68 0.00 0.00 54.58 56.42 2tmd n ASN 349 Cb 0.50 -4.75 0.18 0.00 -1.54 0.00 0.00 39.78 34.18 2tmd n ASN 349 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2tmd h VAL 350 N 0.00 1.37 -0.25 2.41 2.07 -1.91 -1.66 116.25 118.29 2tmd h VAL 350 Ca -0.45 -1.82 0.05 0.00 0.82 0.00 0.00 66.70 65.29 2tmd h VAL 350 Cb 1.34 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 2tmd h VAL 350 CO 0.58 0.53 -0.03 0.00 0.02 0.00 0.00 177.57 178.68 2tmd h ILE 352 N 0.04 1.10 -0.39 0.00 2.04 -1.83 -3.07 117.51 115.40 2tmd h ILE 352 Ca 0.12 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 65.83 2tmd h ILE 352 Cb 0.16 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2tmd h ILE 352 CO -0.22 0.14 0.31 0.77 0.00 0.00 0.00 178.15 179.14 2tmd h SER 353 N 0.76 0.00 0.37 1.72 4.64 -0.71 -0.03 113.55 120.31 2tmd h SER 353 Ca 0.24 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.34 2tmd h SER 353 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2tmd h SER 353 CO -0.09 0.00 -0.94 0.03 -0.87 0.00 0.00 176.83 174.97 2tmd h ARG 354 N 0.00 0.38 -0.16 4.77 2.47 -1.45 -1.02 114.38 119.38 2tmd h ARG 354 Ca 0.19 -0.41 -0.15 0.00 -1.26 0.00 0.00 59.98 58.34 2tmd h ARG 354 Cb 0.79 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 2tmd h ARG 354 CO -0.00 1.09 -0.51 2.35 0.56 0.00 0.00 179.97 183.46 2tmd h TRP 355 N 0.21 0.81 -0.79 3.04 7.01 -1.15 -3.00 115.95 122.08 2tmd h TRP 355 Ca -0.08 -0.33 0.03 0.00 2.11 0.00 0.00 58.89 60.62 2tmd h TRP 355 Cb 1.57 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 28.45 2tmd h TRP 355 CO 0.06 1.11 0.51 0.93 -2.79 0.00 0.00 178.44 178.25 2tmd h GLU 356 N 0.28 0.97 -0.62 2.65 4.39 -1.18 -1.63 114.58 119.44 2tmd h GLU 356 Ca -0.02 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.69 2tmd h GLU 356 Cb 1.13 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.52 2tmd h GLU 356 CO 0.11 0.64 0.41 0.82 -1.16 0.00 0.00 179.01 179.83 2tmd h ILE 357 N 1.00 0.99 -0.35 3.13 2.04 -1.15 -3.48 117.51 119.69 2tmd h ILE 357 Ca 0.31 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2tmd h ILE 357 Cb -0.01 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2tmd h ILE 357 CO -0.10 0.11 0.00 0.61 0.00 0.00 0.00 178.15 178.76 2tmd n GLY 358 N -1.48 -0.35 0.00 5.37 0.00 -0.61 -4.95 105.19 103.17 2tmd n GLY 358 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2tmd n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tmd n GLY 359 N 0.44 3.07 3.76 -0.02 0.00 -1.20 -4.79 105.19 106.45 2tmd n GLY 359 Ca 0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 2tmd n GLY 359 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2tmd s PRO 360 N 0.00 2.27 0.63 1.61 0.02 -1.26 -4.94 135.00 133.34 2tmd s PRO 360 Ca 0.00 1.31 -0.15 0.00 0.02 0.00 0.00 61.00 62.19 2tmd s PRO 360 Cb 0.00 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 2tmd s PRO 360 CO 0.00 -1.65 1.07 -2.14 -0.33 0.00 0.00 177.00 173.95 2tmd s PRO 361 N -4.57 3.11 0.60 5.54 0.02 -1.26 -4.50 135.00 133.95 2tmd s PRO 361 Ca 0.64 1.21 -0.19 0.00 0.02 0.00 0.00 61.00 62.68 2tmd s PRO 361 Cb -0.20 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 2tmd s PRO 361 CO 0.51 -0.98 1.27 -0.12 -0.33 0.00 0.00 177.00 177.35 2tmd n MET 362 N -2.32 1.29 -4.13 5.54 0.00 -0.82 -4.83 117.12 111.85 2tmd n MET 362 Ca 0.09 0.49 -0.09 0.00 -0.00 0.00 0.00 57.70 58.19 2tmd n MET 362 Cb 0.53 -2.49 -0.10 0.00 0.00 0.00 0.00 33.22 31.15 2tmd n MET 362 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 2tmd s ILE 363 N -1.36 0.48 -0.04 1.12 -4.36 -1.26 -4.48 121.20 111.29 2tmd s ILE 363 Ca 0.78 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 59.30 2tmd s ILE 363 Cb -0.40 -1.61 0.02 0.00 1.25 0.00 0.00 42.46 41.71 2tmd s ILE 363 CO 0.44 -0.93 -0.07 0.00 0.24 0.00 0.00 174.94 174.63 2tmd h THR 365 N 5.96 1.13 0.13 0.00 2.02 -1.94 -3.26 112.91 116.95 2tmd h THR 365 Ca -0.36 -0.41 -0.30 0.00 0.77 0.00 0.00 66.41 66.11 2tmd h THR 365 Cb 1.16 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2tmd h THR 365 CO 0.48 0.15 -1.52 1.56 0.37 0.00 0.00 175.52 176.57 2tmd h GLN 366 N 0.42 0.27 -4.10 6.66 1.08 -1.93 -3.44 115.11 114.06 2tmd h GLN 366 Ca 0.10 -0.45 -0.70 0.00 -1.45 0.00 0.00 58.65 56.15 2tmd h GLN 366 Cb 0.11 0.17 -0.34 0.00 -0.05 0.00 0.00 27.48 27.38 2tmd h GLN 366 CO -0.01 1.22 -0.43 1.21 -0.95 0.00 0.00 178.83 179.87 2tmd s ASN 367 N -7.07 5.39 0.00 1.46 3.04 -1.23 -4.93 114.94 111.59 2tmd s ASN 367 Ca -0.20 -2.34 0.11 0.00 0.04 0.00 0.00 52.86 50.48 2tmd s ASN 367 Cb 0.05 -1.88 0.51 0.00 -1.54 0.00 0.00 41.25 38.38 2tmd s ASN 367 CO 0.78 -0.51 1.34 0.00 -3.04 0.00 0.00 177.10 175.67 2tmd n ALA 368 N 4.22 1.57 1.02 1.71 0.00 -1.26 -1.72 120.51 126.04 2tmd n ALA 368 Ca 0.01 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2tmd n ALA 368 Cb 0.40 -1.18 0.15 0.00 0.00 0.00 0.00 19.45 18.82 2tmd n ALA 368 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2tmd n THR 369 N -1.44 0.00 -1.94 0.00 -2.24 -1.26 -4.73 114.28 102.67 2tmd n THR 369 Ca 0.03 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 2tmd n THR 369 Cb 0.12 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 2tmd n THR 369 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2tmd s ALA 370 N -2.95 3.34 0.00 6.98 0.00 -0.70 0.07 121.76 128.49 2tmd s ALA 370 Ca 0.11 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2tmd s ALA 370 Cb 0.17 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2tmd s ALA 370 CO 0.73 -1.86 0.00 0.41 0.00 0.00 0.00 175.76 175.04 2tmd n GLY 371 N 4.65 3.27 0.70 0.00 0.00 -1.26 -4.52 105.19 108.02 2tmd n GLY 371 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 2tmd n GLY 371 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2tmd n GLU 372 N -1.95 1.46 0.12 1.61 -0.58 0.11 -4.47 120.64 116.94 2tmd n GLU 372 Ca 0.00 -1.53 -0.13 0.00 -0.42 0.00 0.00 57.16 55.08 2tmd n GLU 372 Cb 0.00 -1.34 -0.07 0.00 -0.57 0.00 0.00 31.44 29.47 2tmd n GLU 372 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2tmd h GLU 373 N 3.43 -0.27 0.00 3.49 3.07 -1.59 -2.25 114.58 120.45 2tmd h GLU 373 Ca 0.00 0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 2tmd h GLU 373 Cb 0.73 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 2tmd h GLU 373 CO 0.00 -0.18 -0.32 -0.92 -1.40 0.00 0.00 179.01 176.18 2tmd h TYR 374 N -0.28 0.01 -0.55 4.33 3.20 -1.84 -2.27 116.97 119.57 2tmd h TYR 374 Ca -0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2tmd h TYR 374 Cb 0.26 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2tmd h TYR 374 CO -0.11 1.13 0.07 0.07 -1.64 0.00 0.00 178.16 177.67 2tmd h ARG 375 N -0.99 0.90 0.00 1.82 0.11 -1.78 -3.24 114.38 111.20 2tmd h ARG 375 Ca -0.09 -0.23 0.00 0.00 0.10 0.00 0.00 59.98 59.77 2tmd h ARG 375 Cb 1.09 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.05 2tmd h ARG 375 CO -0.05 0.85 0.00 2.89 0.10 0.00 0.00 179.97 183.76 2tmd n ARG 376 N -4.23 2.68 -2.39 0.08 0.00 -0.87 -0.20 116.66 111.73 2tmd n ARG 376 Ca 0.03 -1.41 -0.12 0.00 -0.00 0.00 0.00 57.85 56.36 2tmd n ARG 376 Cb 0.28 -0.98 0.00 0.00 -0.00 0.00 0.00 32.46 31.76 2tmd n ARG 376 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2tmd n GLY 377 N -0.45 -0.06 3.49 2.89 0.00 -0.86 -5.00 105.19 105.20 2tmd n GLY 377 Ca 0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 2tmd n GLY 377 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2tmd s TRP 378 N -2.69 3.17 0.09 1.61 0.51 -1.12 -5.00 118.94 115.51 2tmd s TRP 378 Ca 0.06 -0.34 -0.23 0.00 -2.12 0.00 0.00 56.10 53.47 2tmd s TRP 378 Cb -0.03 -2.91 -0.07 0.00 -0.81 0.00 0.00 33.47 29.66 2tmd s TRP 378 CO 0.08 -0.70 0.69 -1.58 -0.51 0.00 0.00 176.95 174.92 2tmd s HIS 379 N 2.17 3.81 0.03 -1.98 2.46 -1.26 -3.94 115.29 116.57 2tmd s HIS 379 Ca 0.13 1.43 0.31 0.00 0.47 0.00 0.00 55.06 57.40 2tmd s HIS 379 Cb -0.17 -2.68 1.49 0.00 -0.13 0.00 0.00 32.58 31.09 2tmd s HIS 379 CO 0.14 0.46 1.94 -1.00 -2.47 0.00 0.00 174.74 173.81 2tmd h PRO 380 N 4.88 0.00 0.00 2.88 0.13 -1.97 -3.14 132.00 134.78 2tmd h PRO 380 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2tmd h PRO 380 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2tmd h PRO 380 CO 0.67 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.83 2tmd n GLU 381 N -2.70 -0.68 -4.41 0.86 -0.58 -1.26 -5.01 120.64 106.86 2tmd n GLU 381 Ca -0.00 -0.44 -0.22 0.00 -0.42 0.00 0.00 57.16 56.08 2tmd n GLU 381 Cb 0.18 -0.90 -0.16 0.00 -0.57 0.00 0.00 31.44 29.98 2tmd n GLU 381 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2tmd s LYS 382 N -0.03 1.21 -0.02 3.49 1.02 -1.19 -5.13 119.74 119.09 2tmd s LYS 382 Ca 0.00 -0.29 0.03 0.00 0.02 0.00 0.00 55.97 55.73 2tmd s LYS 382 Cb 0.00 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.23 2tmd s LYS 382 CO 0.00 0.03 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.29 2tmd s PHE 383 N 0.57 1.05 0.07 3.18 0.40 -1.26 -4.38 117.98 117.62 2tmd s PHE 383 Ca -0.10 -0.26 -0.31 0.00 -0.60 0.00 0.00 56.93 55.67 2tmd s PHE 383 Cb -0.13 -0.73 -0.09 0.00 0.51 0.00 0.00 43.02 42.58 2tmd s PHE 383 CO 0.02 -0.09 1.73 0.50 0.70 0.00 0.00 175.22 178.08 2tmd s ARG 384 N 0.08 4.17 0.12 0.44 3.52 -1.26 -4.90 118.95 121.13 2tmd s ARG 384 Ca -0.02 2.42 -0.26 0.00 -0.13 0.00 0.00 55.73 57.75 2tmd s ARG 384 Cb -0.08 -3.67 -0.07 0.00 -1.56 0.00 0.00 34.95 29.57 2tmd s ARG 384 CO 0.00 -0.79 0.80 -0.65 -0.81 0.00 0.00 175.30 173.85 2tmd s GLN 385 N 2.93 4.57 0.51 5.12 -1.52 -1.26 -4.67 119.66 125.33 2tmd s GLN 385 Ca 0.77 1.17 -0.21 0.00 -1.95 0.00 0.00 55.36 55.14 2tmd s GLN 385 Cb -0.41 -3.31 -0.06 0.00 -0.22 0.00 0.00 33.01 29.00 2tmd s GLN 385 CO 0.34 0.44 1.14 -0.08 -0.25 0.00 0.00 175.29 176.88 2tmd s THR 386 N -0.69 3.16 -0.48 -0.19 -1.32 -0.12 -4.96 115.64 111.04 2tmd s THR 386 Ca 0.38 0.78 0.23 0.00 -1.21 0.00 0.00 61.69 61.86 2tmd s THR 386 Cb -0.22 -3.35 -0.08 0.00 -1.51 0.00 0.00 72.50 67.34 2tmd s THR 386 CO 0.26 -0.10 1.03 0.29 -2.21 0.00 0.00 174.62 173.89 2tmd n LYS 387 N -0.98 0.39 -3.74 7.08 5.02 -1.26 -4.98 118.16 119.70 2tmd n LYS 387 Ca 0.10 0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.16 2tmd n LYS 387 Cb 0.50 -1.66 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 2tmd n LYS 387 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2tmd s ASN 388 N -4.35 4.71 -0.37 4.39 6.03 -1.26 -5.05 114.94 119.04 2tmd s ASN 388 Ca 0.02 -1.18 0.06 0.00 -1.03 0.00 0.00 52.86 50.73 2tmd s ASN 388 Cb 0.13 0.42 0.50 0.00 -3.03 0.00 0.00 41.25 39.27 2tmd s ASN 388 CO 0.79 -1.16 1.55 0.29 -2.03 0.00 0.00 177.10 176.54 2tmd n LYS 389 N -1.86 2.36 -2.09 3.55 5.02 -1.26 -4.92 118.16 118.96 2tmd n LYS 389 Ca 0.01 -3.39 -0.38 0.00 -2.02 0.00 0.00 58.31 52.53 2tmd n LYS 389 Cb 0.64 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 2tmd n LYS 389 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2tmd s ASP 390 N -2.53 6.00 -0.10 4.39 1.11 -1.26 -4.80 116.67 119.48 2tmd s ASP 390 Ca 0.50 2.51 -0.00 0.00 0.18 0.00 0.00 52.55 55.74 2tmd s ASP 390 Cb 0.43 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.78 2tmd s ASP 390 CO 0.01 -1.05 -0.09 -0.55 1.18 0.00 0.00 175.17 174.68 2tmd s SER 391 N -1.09 4.42 -0.12 0.27 0.15 -1.26 -2.94 113.70 113.14 2tmd s SER 391 Ca 0.63 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 57.15 2tmd s SER 391 Cb -0.34 -1.39 0.01 0.00 -1.71 0.00 0.00 66.02 62.59 2tmd s SER 391 CO 0.42 0.26 -0.18 -0.69 1.20 0.00 0.00 173.24 174.24 2tmd s VAL 392 N -0.20 1.74 -0.15 4.45 1.01 -0.17 -1.22 120.40 125.86 2tmd s VAL 392 Ca 0.02 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 2tmd s VAL 392 Cb -0.13 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2tmd s VAL 392 CO 0.03 0.49 0.29 -0.22 0.00 0.00 0.00 175.10 175.69 2tmd s LEU 393 N 0.84 4.26 -0.16 3.92 2.96 -0.54 -0.74 118.68 129.21 2tmd s LEU 393 Ca -0.09 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2tmd s LEU 393 Cb -0.16 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.19 2tmd s LEU 393 CO -0.00 0.12 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.38 2tmd s ILE 394 N 0.36 1.63 -0.29 6.68 1.01 0.42 -0.89 121.20 130.12 2tmd s ILE 394 Ca 0.17 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 2tmd s ILE 394 Cb -0.13 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.78 2tmd s ILE 394 CO 0.04 0.40 0.07 0.54 0.00 0.00 0.00 174.94 175.99 2tmd s VAL 395 N 1.45 3.95 0.00 2.92 0.11 -0.84 -1.32 120.40 126.66 2tmd s VAL 395 Ca 0.04 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 2tmd s VAL 395 Cb -0.14 -3.00 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 2tmd s VAL 395 CO -0.10 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 2tmd n GLY 396 N 4.86 2.93 1.56 6.54 0.00 0.25 -0.83 105.19 120.52 2tmd n GLY 396 Ca -0.15 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 2tmd n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd n ALA 397 N 0.56 4.78 -1.29 4.61 0.00 -1.26 -4.10 120.51 123.81 2tmd n ALA 397 Ca 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.00 2tmd n ALA 397 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2tmd n ALA 397 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tmd n GLY 398 N -0.96 -0.41 0.39 0.00 0.00 -1.26 0.49 105.19 103.44 2tmd n GLY 398 Ca 0.40 -1.73 0.18 0.00 0.00 0.00 0.00 46.02 44.86 2tmd n GLY 398 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2tmd h PRO 399 N 0.00 0.52 0.05 1.61 0.11 -1.95 -0.88 132.00 131.46 2tmd h PRO 399 Ca 0.00 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 2tmd h PRO 399 Cb 0.00 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 2tmd h PRO 399 CO 0.00 0.34 -0.59 0.66 -0.21 0.00 0.00 178.00 178.20 2tmd h SER 400 N 0.54 0.17 -0.64 -2.05 4.64 -1.89 -3.14 113.55 111.17 2tmd h SER 400 Ca 0.53 -0.89 -0.07 0.00 -0.47 0.00 0.00 61.79 60.89 2tmd h SER 400 Cb 1.13 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.14 2tmd h SER 400 CO -0.27 1.26 0.13 1.23 -0.87 0.00 0.00 176.83 178.31 2tmd h GLY 401 N -0.70 1.12 2.00 -0.77 0.00 -1.67 -1.14 103.07 101.92 2tmd h GLY 401 Ca -0.13 -0.73 -0.09 0.00 0.00 0.00 0.00 47.33 46.38 2tmd h GLY 401 CO 0.01 0.68 -0.45 1.48 0.00 0.00 0.00 176.54 178.26 2tmd h SER 402 N 0.96 0.00 0.11 0.19 4.64 -1.32 -0.28 113.55 117.85 2tmd h SER 402 Ca 0.20 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.25 2tmd h SER 402 Cb 0.40 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2tmd h SER 402 CO 0.01 0.45 -1.09 -0.08 -0.87 0.00 0.00 176.83 175.25 2tmd h GLU 403 N 0.00 0.62 -0.50 4.77 4.57 -1.46 -1.49 114.58 121.09 2tmd h GLU 403 Ca -0.00 -0.72 -0.00 0.00 -1.18 0.00 0.00 59.36 57.46 2tmd h GLU 403 Cb 0.90 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 2tmd h GLU 403 CO 0.06 1.30 0.30 0.00 -1.18 0.00 0.00 179.01 179.49 2tmd h ALA 404 N 0.44 0.63 0.07 2.92 0.00 -0.91 -1.45 119.26 120.96 2tmd h ALA 404 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2tmd h ALA 404 Cb 1.74 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2tmd h ALA 404 CO 0.21 0.11 -0.07 0.00 0.00 0.00 0.00 179.25 179.50 2tmd h ALA 405 N 1.15 -0.13 -0.33 0.00 0.00 -1.06 -0.76 119.26 118.12 2tmd h ALA 405 Ca 0.18 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2tmd h ALA 405 Cb -0.02 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2tmd h ALA 405 CO -0.03 -0.59 -0.01 -0.09 0.00 0.00 0.00 179.25 178.53 2tmd h ARG 406 N -0.16 0.08 -0.11 0.00 2.43 -1.03 0.11 114.38 115.70 2tmd h ARG 406 Ca 0.00 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 2tmd h ARG 406 Cb 0.15 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2tmd h ARG 406 CO -0.02 0.05 -0.67 0.28 -1.51 0.00 0.00 179.97 178.10 2tmd h VAL 407 N 0.08 1.35 -0.23 0.20 2.07 -1.21 -1.47 116.25 117.05 2tmd h VAL 407 Ca 0.16 -2.02 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 2tmd h VAL 407 Cb 0.22 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2tmd h VAL 407 CO -0.28 0.61 0.09 -0.07 0.02 0.00 0.00 177.57 177.94 2tmd h LEU 408 N 0.33 0.32 -0.97 2.57 4.07 -0.62 -1.45 115.31 119.57 2tmd h LEU 408 Ca -0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.74 2tmd h LEU 408 Cb 1.24 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.86 2tmd h LEU 408 CO 0.12 0.41 0.37 0.24 -1.08 0.00 0.00 178.44 178.49 2tmd h MET 409 N 0.22 1.11 -0.09 1.13 2.86 -0.72 -0.98 114.93 118.46 2tmd h MET 409 Ca 0.08 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2tmd h MET 409 Cb 0.19 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2tmd h MET 409 CO -0.01 0.85 -0.05 0.93 1.06 0.00 0.00 176.91 179.70 2tmd h GLU 410 N 1.10 0.12 -0.01 1.72 4.39 -1.02 -1.34 114.58 119.55 2tmd h GLU 410 Ca 0.27 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2tmd h GLU 410 Cb 0.11 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2tmd h GLU 410 CO -0.03 0.18 -0.04 0.43 -1.16 0.00 0.00 179.01 178.39 2tmd n SER 411 N -4.41 0.83 0.00 1.42 7.64 -0.42 -4.88 113.62 113.80 2tmd n SER 411 Ca -0.02 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.75 2tmd n SER 411 Cb 0.17 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2tmd n SER 411 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2tmd n GLY 412 N 1.16 0.86 3.88 0.23 0.00 -0.50 -0.95 105.19 109.87 2tmd n GLY 412 Ca 0.19 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2tmd n GLY 412 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2tmd s TYR 413 N -2.00 3.61 -0.20 1.61 1.51 -0.98 -4.86 117.35 116.03 2tmd s TYR 413 Ca 0.00 1.18 -0.21 0.00 -1.01 0.00 0.00 57.07 57.04 2tmd s TYR 413 Cb 0.00 -2.62 -0.02 0.00 -0.11 0.00 0.00 41.96 39.20 2tmd s TYR 413 CO 0.00 -0.57 0.63 0.99 -1.11 0.00 0.00 175.55 175.48 2tmd s THR 414 N -3.05 5.02 -0.00 -0.71 2.01 -1.15 -4.51 115.64 113.25 2tmd s THR 414 Ca 0.53 1.18 0.05 0.00 0.31 0.00 0.00 61.69 63.77 2tmd s THR 414 Cb -0.11 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 2tmd s THR 414 CO 0.51 0.11 -0.17 0.68 -0.69 0.00 0.00 174.62 175.06 2tmd s VAL 415 N 1.93 1.33 -0.32 3.82 -7.23 -1.26 -0.99 120.40 117.67 2tmd s VAL 415 Ca 0.29 -0.80 -0.03 0.00 -1.81 0.00 0.00 61.98 59.63 2tmd s VAL 415 Cb -0.16 -1.12 0.05 0.00 0.56 0.00 0.00 36.38 35.71 2tmd s VAL 415 CO 0.10 0.31 0.05 -1.00 -0.31 0.00 0.00 175.10 174.26 2tmd s HIS 416 N -0.49 3.29 -0.17 2.82 3.76 0.08 -0.64 115.29 123.94 2tmd s HIS 416 Ca 0.06 -1.77 -0.08 0.00 -0.15 0.00 0.00 55.06 53.11 2tmd s HIS 416 Cb -0.07 -2.26 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 2tmd s HIS 416 CO -0.00 -0.79 0.11 -1.17 -0.85 0.00 0.00 174.74 172.03 2tmd s LEU 417 N 1.29 4.11 0.02 0.89 2.96 0.64 -0.44 118.68 128.15 2tmd s LEU 417 Ca -0.03 0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 2tmd s LEU 417 Cb -0.20 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 2tmd s LEU 417 CO -0.00 0.23 0.01 0.28 -1.32 0.00 0.00 176.35 175.55 2tmd s THR 418 N 0.03 0.10 0.06 3.68 -1.32 -0.43 -0.12 115.64 117.63 2tmd s THR 418 Ca 0.08 -0.83 -0.16 0.00 -1.21 0.00 0.00 61.69 59.57 2tmd s THR 418 Cb -0.12 -0.29 0.03 0.00 -1.51 0.00 0.00 72.50 70.62 2tmd s THR 418 CO -0.00 -0.45 0.38 -0.62 -2.21 0.00 0.00 174.62 171.72 2tmd s ASP 419 N -1.38 -0.23 0.36 8.08 -1.08 -0.91 -0.58 116.67 120.94 2tmd s ASP 419 Ca -0.15 -0.13 0.20 0.00 -0.52 0.00 0.00 52.55 51.94 2tmd s ASP 419 Cb -0.09 0.42 0.45 0.00 -1.46 0.00 0.00 42.92 42.24 2tmd s ASP 419 CO -0.00 -0.70 1.62 0.71 0.52 0.00 0.00 175.17 177.32 2tmd h THR 420 N 2.89 0.64 -4.10 1.71 1.35 -1.85 -2.73 112.91 110.82 2tmd h THR 420 Ca -0.32 -1.62 -0.54 0.00 -0.55 0.00 0.00 66.41 63.38 2tmd h THR 420 Cb 1.22 2.10 0.13 0.00 -1.73 0.00 0.00 68.15 69.86 2tmd h THR 420 CO 0.45 0.32 0.48 0.00 -0.25 0.00 0.00 175.52 176.53 2tmd s ALA 421 N -3.28 2.48 0.23 6.62 0.00 -1.26 -3.51 121.76 123.03 2tmd s ALA 421 Ca 0.03 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.06 2tmd s ALA 421 Cb 0.08 -3.48 0.23 0.00 0.00 0.00 0.00 23.12 19.95 2tmd s ALA 421 CO 0.69 -1.31 1.57 0.93 0.00 0.00 0.00 175.76 177.64 2tmd h GLU 422 N 0.75 0.41 -6.76 0.00 5.08 -1.91 0.24 114.58 112.39 2tmd h GLU 422 Ca -0.50 -0.24 -0.68 0.00 -1.00 0.00 0.00 59.36 56.93 2tmd h GLU 422 Cb 1.31 0.02 -0.19 0.00 0.50 0.00 0.00 28.75 30.39 2tmd h GLU 422 CO 0.54 0.83 -0.82 0.15 -1.00 0.00 0.00 179.01 178.72 2tmd s LYS 423 N -3.98 1.69 0.48 2.33 1.02 -1.26 -4.61 119.74 115.40 2tmd s LYS 423 Ca -0.06 -1.23 -0.24 0.00 0.02 0.00 0.00 55.97 54.46 2tmd s LYS 423 Cb 0.12 -2.06 -0.07 0.00 -0.52 0.00 0.00 37.83 35.30 2tmd s LYS 423 CO 0.81 0.47 1.42 -0.89 -0.92 0.00 0.00 175.35 176.24 2tmd n ILE 424 N 0.80 3.15 0.00 2.17 5.41 -1.26 -4.34 119.36 125.28 2tmd n ILE 424 Ca -0.16 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.09 2tmd n ILE 424 Cb 0.53 -1.80 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 2tmd n ILE 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2tmd n GLY 425 N 0.62 1.13 7.00 7.39 0.00 0.18 -4.91 105.19 116.60 2tmd n GLY 425 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2tmd n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tmd n GLY 426 N 0.00 3.01 0.29 -0.02 0.00 -1.17 -1.89 105.19 105.40 2tmd n GLY 426 Ca 0.00 -0.18 0.18 0.00 0.00 0.00 0.00 46.02 46.02 2tmd n GLY 426 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2tmd h HIS 427 N 0.00 0.00 0.00 1.61 2.07 -1.97 -2.41 115.15 114.45 2tmd h HIS 427 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2tmd h HIS 427 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 2tmd h HIS 427 CO 0.00 0.01 -0.04 1.25 -3.07 0.00 0.00 177.93 176.08 2tmd h LEU 428 N 0.00 0.00 -0.96 6.12 5.85 -1.80 -1.45 115.31 123.07 2tmd h LEU 428 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2tmd h LEU 428 Cb 0.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2tmd h LEU 428 CO 0.00 0.04 -0.45 0.78 -0.34 0.00 0.00 178.44 178.47 2tmd h ASN 429 N 0.00 0.16 0.11 1.25 2.35 -1.52 -0.32 115.58 117.60 2tmd h ASN 429 Ca -0.00 -0.07 -0.19 0.00 -0.55 0.00 0.00 56.30 55.49 2tmd h ASN 429 Cb 0.23 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.58 2tmd h ASN 429 CO 0.01 0.59 -0.79 1.56 -1.65 0.00 0.00 177.43 177.15 2tmd h GLN 430 N 0.12 0.35 -0.51 0.81 4.20 -1.48 -3.36 115.11 115.24 2tmd h GLN 430 Ca 0.01 -0.52 0.03 0.00 0.06 0.00 0.00 58.65 58.23 2tmd h GLN 430 Cb 0.85 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 2tmd h GLN 430 CO 0.07 1.22 0.30 0.28 -0.67 0.00 0.00 178.83 180.02 2tmd h VAL 431 N -0.26 1.04 0.00 -0.54 2.07 -1.25 -1.82 116.25 115.49 2tmd h VAL 431 Ca -0.13 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2tmd h VAL 431 Cb 1.58 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2tmd h VAL 431 CO 0.15 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.85 2tmd n ALA 432 N -2.28 1.39 0.87 1.67 0.00 -0.14 -1.07 120.51 120.96 2tmd n ALA 432 Ca 0.04 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.55 2tmd n ALA 432 Cb 0.08 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 18.48 2tmd n ALA 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tmd n ALA 433 N -1.34 3.00 -1.57 0.00 0.00 -0.69 -3.05 120.51 116.86 2tmd n ALA 433 Ca 0.02 -0.63 -0.35 0.00 0.00 0.00 0.00 53.44 52.49 2tmd n ALA 433 Cb 0.05 -0.70 0.06 0.00 0.00 0.00 0.00 19.45 18.86 2tmd n ALA 433 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2tmd s LEU 434 N -2.05 3.50 -0.08 0.00 1.02 -0.23 -4.90 118.68 115.93 2tmd s LEU 434 Ca 0.20 2.33 -0.30 0.00 0.02 0.00 0.00 54.13 56.38 2tmd s LEU 434 Cb 0.17 -4.59 -0.08 0.00 0.02 0.00 0.00 46.19 41.71 2tmd s LEU 434 CO 0.40 -1.85 2.07 -2.65 0.02 0.00 0.00 176.35 174.33 2tmd n PRO 435 N -2.13 2.44 0.00 1.29 -0.02 -1.26 -2.17 135.00 133.16 2tmd n PRO 435 Ca 0.13 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2tmd n PRO 435 Cb 0.50 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 2tmd n PRO 435 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2tmd n GLY 436 N 5.05 0.59 1.82 -1.23 0.00 -1.26 -4.93 105.19 105.22 2tmd n GLY 436 Ca 0.24 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.33 2tmd n GLY 436 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2tmd n LEU 437 N 0.00 5.62 0.20 0.99 4.77 -0.92 -3.77 117.00 123.89 2tmd n LEU 437 Ca 0.00 -2.96 0.12 0.00 -0.03 0.00 0.00 56.01 53.14 2tmd n LEU 437 Cb 0.00 -0.68 0.70 0.00 -2.33 0.00 0.00 43.42 41.11 2tmd n LEU 437 CO 0.00 0.64 1.11 1.23 -1.33 0.00 0.00 177.39 179.04 2tmd h GLY 438 N 3.74 0.00 1.70 -0.72 0.00 -1.74 -0.83 103.07 105.22 2tmd h GLY 438 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2tmd h GLY 438 CO 0.49 0.00 -0.09 1.18 0.00 0.00 0.00 176.54 178.11 2tmd n GLU 439 N -4.35 0.10 0.14 4.80 1.02 -1.26 -2.64 120.64 118.45 2tmd n GLU 439 Ca 0.00 -0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.24 2tmd n GLU 439 Cb 0.22 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.66 2tmd n GLU 439 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2tmd n TRP 440 N -1.43 0.83 -0.12 -0.32 7.02 -0.32 -1.99 117.44 121.10 2tmd n TRP 440 Ca 0.08 0.34 0.16 0.00 -1.02 0.00 0.00 57.50 57.06 2tmd n TRP 440 Cb 0.32 -1.06 0.54 0.00 -2.42 0.00 0.00 31.31 28.69 2tmd n TRP 440 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 2tmd h SER 441 N 0.00 0.32 -0.10 -0.99 0.02 -1.68 -2.16 113.55 108.96 2tmd h SER 441 Ca 0.00 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2tmd h SER 441 Cb 0.29 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 2tmd h SER 441 CO 0.00 0.17 0.20 1.88 -1.14 0.00 0.00 176.83 177.94 2tmd h TYR 442 N 0.34 0.00 -0.27 3.45 0.05 -1.65 0.16 116.97 119.04 2tmd h TYR 442 Ca 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.09 2tmd h TYR 442 Cb 0.83 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.56 2tmd h TYR 442 CO -0.00 0.00 0.09 1.25 -1.05 0.00 0.00 178.16 178.45 2tmd h HIS 443 N 0.00 0.43 0.00 4.88 2.76 -1.62 -0.84 115.15 120.76 2tmd h HIS 443 Ca 0.05 -0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.03 2tmd h HIS 443 Cb 0.44 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 2tmd h HIS 443 CO 0.00 0.46 -1.24 0.07 -1.30 0.00 0.00 177.93 175.92 2tmd h ARG 444 N 0.29 0.00 0.16 5.26 -0.00 -1.11 -3.02 114.38 115.95 2tmd h ARG 444 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.07 2tmd h ARG 444 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.18 2tmd h ARG 444 CO -0.00 0.30 -0.12 -0.44 -0.00 0.00 0.00 179.97 179.71 2tmd h ASP 445 N 0.00 -0.30 -0.08 0.08 3.32 -0.82 0.20 116.42 118.82 2tmd h ASP 445 Ca -0.13 0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.98 2tmd h ASP 445 Cb 1.51 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 41.11 2tmd h ASP 445 CO 0.05 -0.19 -0.18 0.22 -1.72 0.00 0.00 179.24 177.42 2tmd h TYR 446 N -0.28 -0.46 0.00 4.55 3.20 -1.24 -0.59 116.97 122.15 2tmd h TYR 446 Ca -0.01 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 2tmd h TYR 446 Cb 0.25 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2tmd h TYR 446 CO -0.10 -0.25 -0.37 0.00 -1.64 0.00 0.00 178.16 175.79 2tmd h ARG 447 N -0.25 0.00 -0.10 1.82 3.08 -1.37 -0.58 114.38 116.98 2tmd h ARG 447 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2tmd h ARG 447 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2tmd h ARG 447 CO -0.23 0.37 -0.01 1.49 -1.07 0.00 0.00 179.97 180.53 2tmd h GLU 448 N 0.00 0.18 -0.87 0.04 4.81 -0.27 -1.23 114.58 117.24 2tmd h GLU 448 Ca -0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2tmd h GLU 448 Cb 0.83 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 2tmd h GLU 448 CO 0.05 0.46 0.48 1.15 -0.73 0.00 0.00 179.01 180.42 2tmd h THR 449 N -0.13 1.25 -0.14 0.32 2.02 -0.61 -2.05 112.91 113.57 2tmd h THR 449 Ca 0.03 -0.63 -0.23 0.00 0.77 0.00 0.00 66.41 66.35 2tmd h THR 449 Cb 0.39 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2tmd h THR 449 CO 0.01 0.28 -0.80 1.56 0.37 0.00 0.00 175.52 176.94 2tmd h GLN 450 N 1.22 0.79 -0.10 6.66 1.08 -1.02 -2.17 115.11 121.58 2tmd h GLN 450 Ca 0.31 -0.66 -0.02 0.00 -1.45 0.00 0.00 58.65 56.83 2tmd h GLN 450 Cb 0.03 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2tmd h GLN 450 CO -0.05 1.26 0.00 0.82 -0.95 0.00 0.00 178.83 179.91 2tmd h ILE 451 N 0.53 1.25 -1.01 2.54 2.04 -1.13 0.24 117.51 121.98 2tmd h ILE 451 Ca -0.06 -0.79 0.20 0.00 1.00 0.00 0.00 64.86 65.22 2tmd h ILE 451 Cb 1.43 1.59 -0.11 0.00 -0.74 0.00 0.00 36.82 38.99 2tmd h ILE 451 CO 0.16 0.22 0.61 0.74 0.00 0.00 0.00 178.15 179.89 2tmd h THR 452 N -0.11 0.67 -0.22 -0.27 2.02 -1.43 0.21 112.91 113.78 2tmd h THR 452 Ca 0.03 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 2tmd h THR 452 Cb 0.35 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 2tmd h THR 452 CO 0.00 0.13 -0.16 0.50 0.37 0.00 0.00 175.52 176.36 2tmd h LYS 453 N 0.73 0.50 0.00 6.66 3.64 -0.73 -3.10 116.57 124.27 2tmd h LYS 453 Ca 0.60 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.64 2tmd h LYS 453 Cb 0.97 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2tmd h LYS 453 CO -0.40 0.81 -0.43 -0.07 -2.27 0.00 0.00 179.45 177.08 2tmd h LEU 454 N 0.19 0.00 -1.64 5.20 -0.00 0.18 -2.90 115.31 116.33 2tmd h LEU 454 Ca 0.04 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.97 2tmd h LEU 454 Cb 0.69 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.33 2tmd h LEU 454 CO 0.04 0.43 0.32 -0.07 -0.00 0.00 0.00 178.44 179.16 2tmd h LEU 455 N 0.00 0.39 -0.99 1.67 3.38 -0.63 -0.71 115.31 118.43 2tmd h LEU 455 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2tmd h LEU 455 Cb 0.87 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2tmd h LEU 455 CO 0.06 0.27 0.00 0.11 0.09 0.00 0.00 178.44 178.96 2tmd h LYS 456 N 0.45 0.00 0.00 1.13 1.57 -1.60 -2.70 116.57 115.42 2tmd h LYS 456 Ca 0.20 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 2tmd h LYS 456 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2tmd h LYS 456 CO -0.05 0.00 -0.26 0.87 -0.57 0.00 0.00 179.45 179.44 2tmd h LYS 457 N 0.00 0.00 -3.01 3.15 1.57 -1.24 -3.42 116.57 113.62 2tmd h LYS 457 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 2tmd h LYS 457 Cb 0.61 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.55 2tmd h LYS 457 CO 0.00 0.26 -0.67 1.21 -0.57 0.00 0.00 179.45 179.69 2tmd s ASN 458 N -6.27 1.16 0.54 0.86 3.04 -1.02 -5.03 114.94 108.22 2tmd s ASN 458 Ca 0.03 0.06 0.31 0.00 0.04 0.00 0.00 52.86 53.30 2tmd s ASN 458 Cb 0.08 0.16 1.50 0.00 -1.54 0.00 0.00 41.25 41.45 2tmd s ASN 458 CO 0.68 -0.28 2.06 0.07 -3.04 0.00 0.00 177.10 176.60 2tmd h LYS 459 N 8.37 0.00 0.00 0.43 2.10 -1.83 -3.13 116.57 122.51 2tmd h LYS 459 Ca -0.14 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.43 2tmd h LYS 459 Cb 1.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2tmd h LYS 459 CO 0.19 0.09 -1.07 0.93 -2.00 0.00 0.00 179.45 177.59 2tmd h GLU 460 N 0.00 0.00 -7.29 0.07 5.08 -1.96 -3.46 114.58 107.02 2tmd h GLU 460 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 2tmd h GLU 460 Cb 0.39 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.79 2tmd h GLU 460 CO 0.01 0.17 0.29 -1.12 -1.00 0.00 0.00 179.01 177.36 2tmd s SER 461 N -5.70 3.98 -0.28 1.42 0.01 -1.19 -4.78 113.70 107.17 2tmd s SER 461 Ca -0.01 1.97 -0.20 0.00 1.31 0.00 0.00 55.95 59.02 2tmd s SER 461 Cb 0.09 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.86 2tmd s SER 461 CO 0.79 -2.39 0.74 -1.58 0.41 0.00 0.00 173.24 171.21 2tmd s GLN 462 N -4.77 0.73 -0.19 12.44 0.74 0.19 -4.95 119.66 123.85 2tmd s GLN 462 Ca 0.64 1.06 -0.03 0.00 0.05 0.00 0.00 55.36 57.08 2tmd s GLN 462 Cb -0.19 0.25 -0.01 0.00 1.10 0.00 0.00 33.01 34.16 2tmd s GLN 462 CO 0.56 -0.12 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.94 2tmd s LEU 463 N 1.01 2.82 -0.30 3.68 2.96 -1.26 -0.26 118.68 127.33 2tmd s LEU 463 Ca -0.05 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2tmd s LEU 463 Cb -0.05 -1.69 0.09 0.00 0.50 0.00 0.00 46.19 45.04 2tmd s LEU 463 CO -0.10 0.04 0.05 0.00 -1.32 0.00 0.00 176.35 175.02 2tmd s ALA 464 N 1.13 2.01 0.28 5.97 0.00 0.83 -4.97 121.76 127.02 2tmd s ALA 464 Ca 0.01 -1.84 0.09 0.00 0.00 0.00 0.00 51.96 50.22 2tmd s ALA 464 Cb -0.14 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 2tmd s ALA 464 CO -0.02 -1.56 0.06 -0.51 0.00 0.00 0.00 175.76 173.73 2tmd s LEU 465 N 1.36 3.28 -0.57 0.00 1.43 -1.26 -2.14 118.68 120.78 2tmd s LEU 465 Ca 0.07 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2tmd s LEU 465 Cb -0.18 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2tmd s LEU 465 CO -0.16 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 176.95 2tmd n GLY 466 N -1.00 0.80 3.93 -3.19 0.00 0.07 -4.92 105.19 100.88 2tmd n GLY 466 Ca -0.06 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 2tmd n GLY 466 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2tmd s GLN 467 N -2.39 2.28 0.51 1.61 -1.52 -1.05 -4.95 119.66 114.15 2tmd s GLN 467 Ca 0.00 -0.24 -0.22 0.00 -1.95 0.00 0.00 55.36 52.95 2tmd s GLN 467 Cb 0.00 -2.19 -0.06 0.00 -0.22 0.00 0.00 33.01 30.55 2tmd s GLN 467 CO 0.00 -1.17 1.26 0.21 -0.25 0.00 0.00 175.29 175.33 2tmd s LYS 468 N -5.21 3.39 0.34 2.91 2.20 -1.26 -4.23 119.74 117.87 2tmd s LYS 468 Ca 0.59 1.99 -0.28 0.00 -0.36 0.00 0.00 55.97 57.92 2tmd s LYS 468 Cb -0.11 -2.28 -0.12 0.00 -1.51 0.00 0.00 37.83 33.80 2tmd s LYS 468 CO 0.45 -0.92 1.28 -2.30 -0.36 0.00 0.00 175.35 173.50 2tmd n PRO 469 N -0.86 2.08 -2.11 4.03 -0.02 -1.26 -4.72 135.00 132.15 2tmd n PRO 469 Ca 0.09 0.73 -0.36 0.00 -2.02 0.00 0.00 63.50 61.95 2tmd n PRO 469 Cb 0.47 -2.30 0.02 0.00 -0.02 0.00 0.00 33.50 31.67 2tmd n PRO 469 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2tmd s MET 470 N -1.82 3.16 0.21 -0.52 -1.94 -1.26 -5.04 119.30 112.09 2tmd s MET 470 Ca 0.56 1.76 0.08 0.00 -1.71 0.00 0.00 55.69 56.39 2tmd s MET 470 Cb -0.58 -1.99 -0.05 0.00 2.01 0.00 0.00 34.83 34.22 2tmd s MET 470 CO 0.62 -1.04 -0.15 0.99 -0.01 0.00 0.00 175.02 175.42 2tmd s THR 471 N -1.64 1.84 0.29 2.05 2.01 -1.26 -5.00 115.64 113.93 2tmd s THR 471 Ca 0.75 -2.22 0.01 0.00 0.31 0.00 0.00 61.69 60.54 2tmd s THR 471 Cb -0.28 -2.06 0.28 0.00 0.01 0.00 0.00 72.50 70.45 2tmd s THR 471 CO 0.31 -0.55 1.88 0.00 -0.69 0.00 0.00 174.62 175.57 2tmd h ALA 472 N 2.57 1.52 -0.53 7.40 0.00 -1.96 -1.80 119.26 126.46 2tmd h ALA 472 Ca -0.39 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2tmd h ALA 472 Cb 1.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2tmd h ALA 472 CO 0.61 0.30 0.08 -0.44 0.00 0.00 0.00 179.25 179.81 2tmd h ASP 473 N 1.03 0.84 -0.45 0.00 3.32 -1.99 -2.07 116.42 117.10 2tmd h ASP 473 Ca 0.43 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 57.28 2tmd h ASP 473 Cb 0.32 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 2tmd h ASP 473 CO -0.19 0.89 0.18 0.44 -1.72 0.00 0.00 179.24 178.84 2tmd h ASP 474 N 0.76 0.22 -0.23 6.45 3.32 -1.75 -1.49 116.42 123.70 2tmd h ASP 474 Ca 0.16 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2tmd h ASP 474 Cb 0.41 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2tmd h ASP 474 CO 0.01 0.16 0.06 0.58 -1.72 0.00 0.00 179.24 178.33 2tmd h VAL 475 N 0.37 1.21 -0.43 -1.35 2.07 -1.29 -0.79 116.25 116.02 2tmd h VAL 475 Ca 0.21 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2tmd h VAL 475 Cb 0.18 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2tmd h VAL 475 CO -0.19 0.21 0.29 -0.07 0.02 0.00 0.00 177.57 177.83 2tmd h LEU 476 N 0.20 0.47 -1.42 2.57 4.07 -0.94 -2.41 115.31 117.85 2tmd h LEU 476 Ca 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2tmd h LEU 476 Cb 0.27 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2tmd h LEU 476 CO 0.00 0.33 -0.18 0.00 -1.08 0.00 0.00 178.44 177.51 2tmd n GLN 477 N -4.47 1.69 -0.29 1.13 6.02 -0.60 -4.55 117.38 116.29 2tmd n GLN 477 Ca 0.04 -1.37 -0.05 0.00 -0.01 0.00 0.00 57.00 55.60 2tmd n GLN 477 Cb 0.09 -1.39 0.07 0.00 1.02 0.00 0.00 30.24 30.02 2tmd n GLN 477 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2tmd h TYR 478 N 3.22 1.15 0.00 1.08 5.03 -0.60 -3.47 116.97 123.38 2tmd h TYR 478 Ca 0.00 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.25 2tmd h TYR 478 Cb 0.78 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.70 2tmd h TYR 478 CO 0.00 0.84 0.00 0.41 -1.32 0.00 0.00 178.16 178.09 2tmd n GLY 479 N -0.99 1.06 3.82 1.82 0.00 -1.26 -5.09 105.19 104.55 2tmd n GLY 479 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2tmd n GLY 479 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd s ALA 480 N -2.00 3.12 0.08 4.61 0.00 -1.26 -4.97 121.76 121.34 2tmd s ALA 480 Ca 0.00 0.37 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 2tmd s ALA 480 Cb 0.00 -3.09 -0.22 0.00 0.00 0.00 0.00 23.12 19.81 2tmd s ALA 480 CO 0.00 0.17 1.21 -0.44 0.00 0.00 0.00 175.76 176.70 2tmd h ASP 481 N 2.25 0.88 -4.41 0.00 3.32 -1.40 -3.41 116.42 113.65 2tmd h ASP 481 Ca -0.48 -0.70 -0.37 0.00 0.02 0.00 0.00 57.03 55.49 2tmd h ASP 481 Cb 1.18 -0.27 -0.24 0.00 0.22 0.00 0.00 39.33 40.23 2tmd h ASP 481 CO 0.62 1.50 -0.77 -0.54 -1.72 0.00 0.00 179.24 178.34 2tmd s LYS 482 N -3.32 0.73 -0.02 3.56 1.02 -0.94 0.55 119.74 121.32 2tmd s LYS 482 Ca -0.09 -0.70 0.04 0.00 0.02 0.00 0.00 55.97 55.24 2tmd s LYS 482 Cb 0.07 -0.67 -0.01 0.00 -0.52 0.00 0.00 37.83 36.71 2tmd s LYS 482 CO 0.92 0.16 -0.15 0.08 -0.92 0.00 0.00 175.35 175.44 2tmd s VAL 483 N -0.95 1.20 -0.18 3.17 1.01 0.03 -1.47 120.40 123.22 2tmd s VAL 483 Ca -0.02 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2tmd s VAL 483 Cb -0.08 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.31 2tmd s VAL 483 CO 0.01 0.35 -0.14 -0.63 0.00 0.00 0.00 175.10 174.68 2tmd s ILE 484 N -0.14 1.77 -0.28 2.22 1.01 -0.07 -0.41 121.20 125.31 2tmd s ILE 484 Ca 0.01 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.54 2tmd s ILE 484 Cb -0.08 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 2tmd s ILE 484 CO 0.00 0.35 0.68 -0.63 0.00 0.00 0.00 174.94 175.35 2tmd s ILE 485 N 1.37 4.92 -0.38 2.92 -1.09 0.17 -1.99 121.20 127.12 2tmd s ILE 485 Ca 0.02 1.12 0.13 0.00 -2.23 0.00 0.00 60.65 59.68 2tmd s ILE 485 Cb -0.14 -4.01 0.41 0.00 -1.58 0.00 0.00 42.46 37.13 2tmd s ILE 485 CO -0.10 -0.08 0.90 0.00 -1.23 0.00 0.00 174.94 174.43 2tmd n ALA 486 N 5.88 3.35 0.89 9.38 0.00 -0.01 -1.62 120.51 138.38 2tmd n ALA 486 Ca 0.01 -3.56 0.07 0.00 0.00 0.00 0.00 53.44 49.96 2tmd n ALA 486 Cb 0.49 -0.86 0.21 0.00 0.00 0.00 0.00 19.45 19.29 2tmd n ALA 486 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2tmd n THR 487 N -0.03 0.44 -4.03 0.00 -2.24 -1.24 -4.27 114.28 102.91 2tmd n THR 487 Ca 0.21 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2tmd n THR 487 Cb 0.70 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 2tmd n THR 487 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2tmd n GLY 488 N 1.11 -1.77 3.25 3.38 0.00 -1.26 -4.69 105.19 105.20 2tmd n GLY 488 Ca 0.13 -1.36 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 2tmd n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd s ALA 489 N -1.03 1.39 0.11 4.61 0.00 -1.26 -0.72 121.76 124.86 2tmd s ALA 489 Ca 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.34 2tmd s ALA 489 Cb 0.00 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 2tmd s ALA 489 CO 0.00 -0.37 -0.08 1.03 0.00 0.00 0.00 175.76 176.34 2tmd s ARG 490 N -3.96 0.90 0.40 0.00 1.81 -0.55 -4.84 118.95 112.71 2tmd s ARG 490 Ca 0.27 -1.35 -0.25 0.00 -1.72 0.00 0.00 55.73 52.68 2tmd s ARG 490 Cb 0.07 -0.35 -0.09 0.00 -0.45 0.00 0.00 34.95 34.13 2tmd s ARG 490 CO 0.06 0.02 1.12 -1.58 -0.68 0.00 0.00 175.30 174.23 2tmd s TRP 491 N -3.45 3.15 0.45 -0.53 0.52 -1.26 -1.19 118.94 116.63 2tmd s TRP 491 Ca 0.13 1.60 -0.24 0.00 0.02 0.00 0.00 56.10 57.60 2tmd s TRP 491 Cb 0.04 -3.28 -0.07 0.00 -1.15 0.00 0.00 33.47 29.00 2tmd s TRP 491 CO -0.03 -1.03 1.22 -0.80 0.02 0.00 0.00 176.95 176.33 2tmd s ASN 492 N -1.31 6.13 0.00 2.95 0.01 -0.11 -4.85 114.94 117.75 2tmd s ASN 492 Ca 0.57 2.46 0.13 0.00 -0.71 0.00 0.00 52.86 55.31 2tmd s ASN 492 Cb -0.27 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.73 2tmd s ASN 492 CO 0.34 -0.96 0.70 0.35 -1.51 0.00 0.00 177.10 176.02 2tmd n THR 493 N -0.34 0.00 -0.42 1.60 -2.24 -1.26 -4.55 114.28 107.08 2tmd n THR 493 Ca 0.06 -0.31 0.03 0.00 -2.27 0.00 0.00 64.05 61.56 2tmd n THR 493 Cb 0.46 1.11 0.04 0.00 -2.10 0.00 0.00 70.33 69.85 2tmd n THR 493 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2tmd n ASP 494 N -0.50 1.99 0.00 3.42 5.75 -1.26 -1.84 116.55 124.11 2tmd n ASP 494 Ca 0.05 -2.30 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 2tmd n ASP 494 Cb 0.26 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 2tmd n ASP 494 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2tmd n GLY 495 N -0.76 0.83 3.72 6.12 0.00 -1.26 -1.47 105.19 112.37 2tmd n GLY 495 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2tmd n GLY 495 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2tmd n THR 496 N -2.24 1.11 -3.72 2.61 -1.04 -1.24 -4.10 114.28 105.66 2tmd n THR 496 Ca 0.00 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.05 61.63 2tmd n THR 496 Cb 0.00 -1.76 -0.06 0.00 -1.82 0.00 0.00 70.33 66.69 2tmd n THR 496 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2tmd s ASN 497 N 0.34 -0.13 0.62 8.00 2.20 -1.24 -4.03 114.94 120.70 2tmd s ASN 497 Ca 0.64 -0.34 0.40 0.00 -0.94 0.00 0.00 52.86 52.63 2tmd s ASN 497 Cb -0.56 0.41 2.03 0.00 -2.00 0.00 0.00 41.25 41.13 2tmd s ASN 497 CO 0.51 -0.75 2.23 0.00 -2.94 0.00 0.00 177.10 176.15 2tmd h LEU 499 N 0.00 0.08 0.00 0.00 4.07 -1.93 -3.38 115.31 114.15 2tmd h LEU 499 Ca -0.00 -0.79 -0.10 0.00 0.08 0.00 0.00 57.88 57.07 2tmd h LEU 499 Cb 0.19 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 2tmd h LEU 499 CO 0.00 0.86 -1.92 0.35 -1.08 0.00 0.00 178.44 176.65 2tmd n THR 500 N -4.63 0.39 -1.06 0.22 -2.24 -1.20 -4.98 114.28 100.78 2tmd n THR 500 Ca -0.10 -0.51 -0.02 0.00 -2.27 0.00 0.00 64.05 61.16 2tmd n THR 500 Cb 0.43 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.52 2tmd n THR 500 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2tmd n HIS 501 N -2.29 0.00 -4.40 4.78 8.25 0.75 -4.98 115.22 117.32 2tmd n HIS 501 Ca -0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.14 2tmd n HIS 501 Cb 0.66 -1.70 -0.10 0.00 1.12 0.00 0.00 29.99 29.97 2tmd n HIS 501 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2tmd s ASP 502 N -2.10 2.78 0.78 0.41 1.01 -1.26 -4.77 116.67 113.53 2tmd s ASP 502 Ca 0.00 -1.11 -0.13 0.00 0.71 0.00 0.00 52.55 52.01 2tmd s ASP 502 Cb 0.00 -0.17 0.07 0.00 1.01 0.00 0.00 42.92 43.83 2tmd s ASP 502 CO 0.00 -0.24 1.18 -2.84 0.21 0.00 0.00 175.17 173.48 2tmd s PRO 503 N -3.68 1.87 -0.21 8.23 0.02 -1.26 -3.72 135.00 136.26 2tmd s PRO 503 Ca 0.27 1.65 -0.13 0.00 0.02 0.00 0.00 61.00 62.80 2tmd s PRO 503 Cb 0.01 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 2tmd s PRO 503 CO 0.10 -2.01 0.28 0.42 -0.33 0.00 0.00 177.00 175.46 2tmd s ILE 504 N -2.25 5.29 -0.05 2.83 1.01 -0.54 -4.86 121.20 122.63 2tmd s ILE 504 Ca 0.71 0.46 -0.36 0.00 0.00 0.00 0.00 60.65 61.46 2tmd s ILE 504 Cb -0.26 -3.61 -0.13 0.00 0.01 0.00 0.00 42.46 38.46 2tmd s ILE 504 CO 0.49 0.32 1.73 -2.65 0.00 0.00 0.00 174.94 174.84 2tmd n PRO 505 N 4.17 1.86 -0.13 2.79 -0.02 -1.26 -1.50 135.00 140.92 2tmd n PRO 505 Ca -0.12 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2tmd n PRO 505 Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2tmd n PRO 505 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2tmd n GLY 506 N 3.95 0.73 3.66 -1.23 0.00 -1.26 -0.71 105.19 110.34 2tmd n GLY 506 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2tmd n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd s ALA 507 N -2.40 3.62 -0.29 4.61 0.00 -0.56 -4.74 121.76 122.00 2tmd s ALA 507 Ca 0.00 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.15 2tmd s ALA 507 Cb 0.00 -3.46 0.20 0.00 0.00 0.00 0.00 23.12 19.86 2tmd s ALA 507 CO 0.00 -0.92 0.61 0.34 0.00 0.00 0.00 175.76 175.79 2tmd s ASP 508 N 1.20 -1.55 0.00 0.00 -1.08 -1.23 -4.49 116.67 109.52 2tmd s ASP 508 Ca 0.43 0.31 0.06 0.00 -0.52 0.00 0.00 52.55 52.83 2tmd s ASP 508 Cb -0.16 2.03 0.37 0.00 -1.46 0.00 0.00 42.92 43.71 2tmd s ASP 508 CO 0.09 -0.28 0.85 0.00 0.52 0.00 0.00 175.17 176.35 2tmd n ALA 509 N 5.41 2.06 0.80 3.66 0.00 -0.77 -1.23 120.51 130.45 2tmd n ALA 509 Ca 0.04 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2tmd n ALA 509 Cb 0.54 -1.10 0.24 0.00 0.00 0.00 0.00 19.45 19.13 2tmd n ALA 509 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2tmd n SER 510 N -0.69 0.55 -4.81 0.00 3.41 -1.26 -4.67 113.62 106.16 2tmd n SER 510 Ca 0.05 -0.03 -0.33 0.00 -0.26 0.00 0.00 58.87 58.30 2tmd n SER 510 Cb 0.02 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2tmd n SER 510 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2tmd s LEU 511 N -3.55 3.55 0.29 1.04 1.43 -0.37 -4.95 118.68 116.12 2tmd s LEU 511 Ca 0.09 1.80 0.25 0.00 -1.03 0.00 0.00 54.13 55.24 2tmd s LEU 511 Cb 0.16 -4.53 0.97 0.00 0.03 0.00 0.00 46.19 42.82 2tmd s LEU 511 CO 0.70 -1.06 1.75 1.55 0.23 0.00 0.00 176.35 179.52 2tmd h PRO 512 N 0.62 0.00 -0.40 1.29 0.13 -1.91 -2.89 132.00 128.85 2tmd h PRO 512 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2tmd h PRO 512 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2tmd h PRO 512 CO 0.58 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.95 2tmd n ASP 513 N -2.36 3.59 -4.06 1.44 5.75 -1.26 -4.88 116.55 114.77 2tmd n ASP 513 Ca 0.03 -2.37 -0.24 0.00 -0.01 0.00 0.00 54.79 52.20 2tmd n ASP 513 Cb 0.29 -0.40 -0.16 0.00 -1.03 0.00 0.00 41.12 39.82 2tmd n ASP 513 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2tmd s GLN 514 N -1.68 1.47 0.15 0.11 -0.21 -1.09 -0.37 119.66 118.03 2tmd s GLN 514 Ca 0.35 -0.45 0.08 0.00 0.02 0.00 0.00 55.36 55.36 2tmd s GLN 514 Cb 0.23 -1.28 -0.04 0.00 1.00 0.00 0.00 33.01 32.92 2tmd s GLN 514 CO 0.16 0.14 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.79 2tmd s LEU 515 N 0.26 2.41 0.48 2.90 2.01 0.34 -4.59 118.68 122.48 2tmd s LEU 515 Ca -0.06 -0.83 0.08 0.00 0.01 0.00 0.00 54.13 53.33 2tmd s LEU 515 Cb -0.12 -0.77 0.02 0.00 0.01 0.00 0.00 46.19 45.33 2tmd s LEU 515 CO 0.02 -0.05 0.52 0.42 1.01 0.00 0.00 176.35 178.27 2tmd s THR 516 N -1.95 2.40 0.40 5.49 -4.23 -1.26 -0.43 115.64 116.06 2tmd s THR 516 Ca 0.13 -1.22 0.10 0.00 -1.18 0.00 0.00 61.69 59.52 2tmd s THR 516 Cb -0.06 -2.62 0.31 0.00 1.34 0.00 0.00 72.50 71.46 2tmd s THR 516 CO 0.05 0.00 1.97 -0.65 -0.54 0.00 0.00 174.62 175.46 2tmd h PRO 517 N 0.69 0.56 -0.34 3.99 0.11 -1.95 -1.82 132.00 133.24 2tmd h PRO 517 Ca -0.37 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.56 2tmd h PRO 517 Cb 1.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2tmd h PRO 517 CO 0.51 0.37 -0.34 0.93 -0.21 0.00 0.00 178.00 179.26 2tmd h GLU 518 N 0.58 0.83 -0.39 1.05 3.07 -1.95 -0.95 114.58 116.81 2tmd h GLU 518 Ca 0.29 -0.44 -0.11 0.00 -0.50 0.00 0.00 59.36 58.60 2tmd h GLU 518 Cb 0.39 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2tmd h GLU 518 CO -0.09 1.07 -0.21 1.96 -1.40 0.00 0.00 179.01 180.34 2tmd h GLN 519 N 0.61 0.77 -0.41 2.33 4.20 -1.77 0.17 115.11 121.00 2tmd h GLN 519 Ca 0.05 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2tmd h GLN 519 Cb 0.92 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 2tmd h GLN 519 CO 0.08 0.92 0.17 0.28 -0.67 0.00 0.00 178.83 179.61 2tmd h VAL 520 N 0.68 1.20 -0.02 -0.54 2.07 -1.25 -2.59 116.25 115.79 2tmd h VAL 520 Ca 0.10 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 2tmd h VAL 520 Cb 0.72 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2tmd h VAL 520 CO 0.06 0.22 -0.64 0.24 0.02 0.00 0.00 177.57 177.47 2tmd h MET 521 N 0.53 0.07 -0.26 1.57 2.86 -0.52 -2.14 114.93 117.04 2tmd h MET 521 Ca 0.14 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 2tmd h MET 521 Cb 0.19 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2tmd h MET 521 CO -0.01 0.69 -0.28 -0.44 1.06 0.00 0.00 176.91 177.92 2tmd h ASP 522 N 0.05 0.53 -0.20 1.22 3.32 -0.73 -3.47 116.42 117.15 2tmd h ASP 522 Ca -0.01 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 2tmd h ASP 522 Cb 1.14 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 2tmd h ASP 522 CO 0.09 0.80 -0.08 0.61 -1.72 0.00 0.00 179.24 178.94 2tmd n GLY 523 N -0.28 0.69 0.12 2.75 0.00 -0.81 -4.89 105.19 102.78 2tmd n GLY 523 Ca -0.01 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 2tmd n GLY 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2tmd h LYS 524 N 0.25 0.19 -6.86 1.61 1.57 -1.86 -3.47 116.57 107.99 2tmd h LYS 524 Ca -0.09 -0.32 -0.51 0.00 -1.87 0.00 0.00 60.65 57.86 2tmd h LYS 524 Cb 0.39 0.12 0.04 0.00 0.08 0.00 0.00 32.23 32.86 2tmd h LYS 524 CO 0.13 1.15 0.54 0.21 -0.57 0.00 0.00 179.45 180.91 2tmd s LYS 525 N -2.43 4.41 0.23 3.15 2.20 -1.26 -4.99 119.74 121.06 2tmd s LYS 525 Ca -0.20 1.95 -0.30 0.00 -0.36 0.00 0.00 55.97 57.06 2tmd s LYS 525 Cb 0.03 -3.03 -0.09 0.00 -1.51 0.00 0.00 37.83 33.24 2tmd s LYS 525 CO 0.74 -0.04 1.06 0.21 -0.36 0.00 0.00 175.35 176.96 2tmd s LYS 526 N -1.76 4.68 -0.10 4.03 2.20 -1.26 -4.95 119.74 122.58 2tmd s LYS 526 Ca 0.49 1.69 0.03 0.00 -0.36 0.00 0.00 55.97 57.81 2tmd s LYS 526 Cb -0.34 -3.25 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 2tmd s LYS 526 CO 0.44 0.24 -0.19 0.42 -0.36 0.00 0.00 175.35 175.90 2tmd s ILE 527 N -0.80 2.56 1.02 5.43 1.01 -1.26 -4.96 121.20 124.20 2tmd s ILE 527 Ca 0.45 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 2tmd s ILE 527 Cb -0.29 -2.02 0.24 0.00 0.01 0.00 0.00 42.46 40.40 2tmd s ILE 527 CO 0.36 0.55 1.26 0.61 0.00 0.00 0.00 174.94 177.73 2tmd n GLY 528 N 3.27 -1.78 0.43 6.18 0.00 -1.26 -5.01 105.19 107.02 2tmd n GLY 528 Ca -0.18 -1.66 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 2tmd n GLY 528 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2tmd h LYS 529 N 0.00 -1.06 -5.85 1.61 1.79 -1.94 -3.41 116.57 107.71 2tmd h LYS 529 Ca -0.42 0.07 -0.59 0.00 -2.18 0.00 0.00 60.65 57.53 2tmd h LYS 529 Cb 1.18 0.24 -0.08 0.00 -1.58 0.00 0.00 32.23 31.99 2tmd h LYS 529 CO 0.29 -0.70 0.53 1.03 -1.08 0.00 0.00 179.45 179.52 2tmd s ARG 530 N -5.34 4.17 -0.14 3.15 0.52 -1.26 -1.35 118.95 118.69 2tmd s ARG 530 Ca -0.16 0.97 0.00 0.00 -0.52 0.00 0.00 55.73 56.03 2tmd s ARG 530 Cb 0.02 -3.66 -0.01 0.00 0.52 0.00 0.00 34.95 31.82 2tmd s ARG 530 CO 0.48 -0.57 -0.15 0.08 0.02 0.00 0.00 175.30 175.17 2tmd s VAL 531 N 2.94 2.81 -0.16 3.52 1.01 0.11 -1.01 120.40 129.63 2tmd s VAL 531 Ca 0.36 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 2tmd s VAL 531 Cb -0.15 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2tmd s VAL 531 CO 0.08 0.52 -0.02 -0.69 0.00 0.00 0.00 175.10 174.99 2tmd s VAL 532 N 0.61 4.04 -0.29 2.92 1.01 -0.48 -1.51 120.40 126.70 2tmd s VAL 532 Ca -0.08 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 2tmd s VAL 532 Cb -0.16 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 2tmd s VAL 532 CO 0.03 0.49 0.12 -0.63 0.00 0.00 0.00 175.10 175.11 2tmd s ILE 533 N 0.35 4.47 -0.29 2.22 1.01 0.04 -0.45 121.20 128.54 2tmd s ILE 533 Ca -0.03 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.06 2tmd s ILE 533 Cb -0.14 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 2tmd s ILE 533 CO 0.02 0.13 0.48 -0.22 0.00 0.00 0.00 174.94 175.36 2tmd s LEU 534 N 1.60 4.14 -0.08 2.97 2.96 -0.38 -1.41 118.68 128.49 2tmd s LEU 534 Ca 0.05 0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.28 2tmd s LEU 534 Cb -0.17 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 2tmd s LEU 534 CO 0.05 -0.32 -0.20 0.21 -1.32 0.00 0.00 176.35 174.77 2tmd s ASN 535 N 1.64 3.50 -0.02 3.68 2.47 0.07 -1.09 114.94 125.18 2tmd s ASN 535 Ca 0.19 -0.41 0.15 0.00 0.42 0.00 0.00 52.86 53.21 2tmd s ASN 535 Cb -0.16 -1.10 0.26 0.00 -1.45 0.00 0.00 41.25 38.81 2tmd s ASN 535 CO 0.11 0.24 1.11 0.00 -3.72 0.00 0.00 177.10 174.83 2tmd n ALA 536 N 3.03 2.32 -2.48 1.71 0.00 -0.49 -1.77 120.51 122.83 2tmd n ALA 536 Ca -0.18 -1.94 -0.25 0.00 0.00 0.00 0.00 53.44 51.07 2tmd n ALA 536 Cb 0.52 -0.61 -0.15 0.00 0.00 0.00 0.00 19.45 19.22 2tmd n ALA 536 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2tmd s ASP 537 N -1.77 2.26 -0.19 0.00 2.15 -1.25 -4.70 116.67 113.16 2tmd s ASP 537 Ca 0.22 -0.40 0.15 0.00 0.43 0.00 0.00 52.55 52.96 2tmd s ASP 537 Cb 0.24 -0.23 0.69 0.00 -0.30 0.00 0.00 42.92 43.32 2tmd s ASP 537 CO -0.09 0.20 1.61 0.35 -0.17 0.00 0.00 175.17 177.07 2tmd n THR 538 N 2.37 2.44 0.00 1.71 -2.24 -1.26 -4.59 114.28 112.71 2tmd n THR 538 Ca -0.16 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.08 2tmd n THR 538 Cb 0.53 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 2tmd n THR 538 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2tmd n TYR 539 N 0.27 0.00 0.53 4.78 4.19 -1.26 -0.34 117.16 125.33 2tmd n TYR 539 Ca 0.25 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.57 2tmd n TYR 539 Cb 1.03 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 40.85 2tmd n TYR 539 CO 0.00 0.00 0.00 1.97 0.91 0.00 0.00 176.86 179.74 2tmd n PHE 540 N 0.00 0.23 -0.02 2.98 1.16 -1.26 -4.24 117.46 116.31 2tmd n PHE 540 Ca 0.00 0.07 -0.12 0.00 -1.87 0.00 0.00 57.45 55.53 2tmd n PHE 540 Cb 0.00 -0.42 -0.07 0.00 -1.61 0.00 0.00 39.48 37.38 2tmd n PHE 540 CO 0.00 0.00 0.00 1.98 -1.87 0.00 0.00 176.76 176.87 2tmd h MET 541 N 0.00 0.15 -0.06 3.97 4.05 -1.97 -1.86 114.93 119.21 2tmd h MET 541 Ca 0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2tmd h MET 541 Cb 0.75 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.53 2tmd h MET 541 CO 0.00 0.38 0.02 0.00 0.23 0.00 0.00 176.91 177.54 2tmd h ALA 542 N 0.76 0.08 -0.39 0.39 0.00 -1.90 -0.98 119.26 117.22 2tmd h ALA 542 Ca 0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2tmd h ALA 542 Cb 0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2tmd h ALA 542 CO 0.00 -0.30 -0.05 -1.00 0.00 0.00 0.00 179.25 177.90 2tmd h PRO 543 N -0.11 0.64 -0.39 0.00 0.13 -1.81 -0.87 132.00 129.58 2tmd h PRO 543 Ca 0.02 -0.17 -0.10 0.00 -0.87 0.00 0.00 66.00 64.88 2tmd h PRO 543 Cb 0.23 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 2tmd h PRO 543 CO -0.00 0.69 -0.14 0.77 -0.23 0.00 0.00 178.00 179.09 2tmd h SER 544 N 0.60 0.80 -0.63 1.44 0.02 -1.20 0.00 113.55 114.57 2tmd h SER 544 Ca 0.12 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2tmd h SER 544 Cb 0.45 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2tmd h SER 544 CO 0.02 1.00 0.24 -0.07 -1.14 0.00 0.00 176.83 176.88 2tmd h LEU 545 N 0.59 0.88 -0.77 5.07 4.07 -1.11 -0.67 115.31 123.37 2tmd h LEU 545 Ca 0.09 -0.18 0.02 0.00 0.08 0.00 0.00 57.88 57.89 2tmd h LEU 545 Cb 0.67 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.14 2tmd h LEU 545 CO 0.05 0.83 0.50 0.00 -1.08 0.00 0.00 178.44 178.73 2tmd h ALA 546 N 1.09 1.00 0.04 1.53 0.00 -0.93 -0.93 119.26 121.06 2tmd h ALA 546 Ca 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2tmd h ALA 546 Cb 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2tmd h ALA 546 CO -0.01 0.33 -0.02 1.49 0.00 0.00 0.00 179.25 181.04 2tmd h GLU 547 N 0.99 -0.05 -0.41 0.00 4.81 -0.56 -1.16 114.58 118.20 2tmd h GLU 547 Ca 0.30 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.61 2tmd h GLU 547 Cb -0.04 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.28 2tmd h GLU 547 CO -0.09 0.12 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.02 2tmd h LYS 548 N -0.21 0.04 -0.16 1.92 3.64 -0.84 -1.76 116.57 119.19 2tmd h LYS 548 Ca -0.01 -0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 2tmd h LYS 548 Cb 0.19 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2tmd h LYS 548 CO 0.01 0.02 -0.66 -0.07 -2.27 0.00 0.00 179.45 176.48 2tmd h LEU 549 N 0.04 0.70 -0.67 5.20 3.38 -1.11 -3.02 115.31 119.84 2tmd h LEU 549 Ca 0.20 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 2tmd h LEU 549 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2tmd h LEU 549 CO -0.40 1.18 0.03 0.00 0.09 0.00 0.00 178.44 179.34 2tmd h ALA 550 N 0.82 0.88 0.00 1.53 0.00 -0.92 -1.38 119.26 120.19 2tmd h ALA 550 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2tmd h ALA 550 Cb 1.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2tmd h ALA 550 CO 0.13 0.67 -0.11 1.79 0.00 0.00 0.00 179.25 181.73 2tmd h THR 551 N 0.98 0.36 -0.33 0.00 1.35 -1.33 -1.00 112.91 112.93 2tmd h THR 551 Ca 0.18 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2tmd h THR 551 Cb 0.52 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2tmd h THR 551 CO 0.02 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 175.40 2tmd n ALA 552 N -2.19 2.65 -0.67 6.62 0.00 -0.83 -4.88 120.51 121.20 2tmd n ALA 552 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2tmd n ALA 552 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2tmd n ALA 552 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tmd n GLY 553 N 0.85 0.64 3.86 0.00 0.00 -0.38 -5.05 105.19 105.11 2tmd n GLY 553 Ca 0.12 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2tmd n GLY 553 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2tmd s HIS 554 N -2.00 3.42 -0.27 1.61 4.02 -0.58 -5.00 115.29 116.48 2tmd s HIS 554 Ca 0.00 1.12 -0.22 0.00 1.02 0.00 0.00 55.06 56.98 2tmd s HIS 554 Cb 0.00 -2.48 -0.01 0.00 -1.02 0.00 0.00 32.58 29.08 2tmd s HIS 554 CO 0.00 0.00 0.71 -1.21 1.02 0.00 0.00 174.74 175.26 2tmd s GLU 555 N -3.40 4.05 -0.15 1.40 2.02 -0.46 -4.33 118.70 117.83 2tmd s GLU 555 Ca 0.52 0.59 0.01 0.00 0.02 0.00 0.00 54.97 56.11 2tmd s GLU 555 Cb -0.10 -3.68 -0.00 0.00 0.10 0.00 0.00 34.13 30.44 2tmd s GLU 555 CO 0.24 -0.53 -0.16 0.08 0.02 0.00 0.00 175.26 174.91 2tmd s VAL 556 N 2.71 2.60 -0.11 2.63 1.01 -1.26 0.03 120.40 128.01 2tmd s VAL 556 Ca 0.29 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2tmd s VAL 556 Cb -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2tmd s VAL 556 CO 0.10 0.52 -0.22 -0.89 0.00 0.00 0.00 175.10 174.61 2tmd s THR 557 N 0.73 2.17 -0.34 3.92 2.01 -0.57 -1.51 115.64 122.05 2tmd s THR 557 Ca -0.07 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 60.84 2tmd s THR 557 Cb -0.16 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.51 2tmd s THR 557 CO 0.01 0.55 0.20 -0.63 -0.69 0.00 0.00 174.62 174.06 2tmd s ILE 558 N 0.43 4.79 -0.23 1.82 1.01 0.55 -0.78 121.20 128.79 2tmd s ILE 558 Ca -0.16 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2tmd s ILE 558 Cb -0.17 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2tmd s ILE 558 CO 0.07 -0.06 0.18 0.54 0.00 0.00 0.00 174.94 175.67 2tmd s VAL 559 N 1.63 5.35 -0.13 2.92 0.11 -0.50 0.17 120.40 129.94 2tmd s VAL 559 Ca 0.04 0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 59.32 2tmd s VAL 559 Cb -0.18 -3.52 0.04 0.00 -1.53 0.00 0.00 36.38 31.19 2tmd s VAL 559 CO 0.08 0.35 -0.03 -0.55 -3.33 0.00 0.00 175.10 171.62 2tmd s SER 560 N 0.97 2.37 0.00 3.54 0.15 -0.58 -0.76 113.70 119.39 2tmd s SER 560 Ca 0.09 -0.46 0.28 0.00 0.70 0.00 0.00 55.95 56.56 2tmd s SER 560 Cb -0.13 -0.71 1.17 0.00 -1.71 0.00 0.00 66.02 64.64 2tmd s SER 560 CO 0.04 -0.20 1.81 0.61 1.20 0.00 0.00 173.24 176.71 2tmd n GLY 561 N 5.00 -0.15 3.51 9.45 0.00 -0.73 -1.88 105.19 120.38 2tmd n GLY 561 Ca -0.10 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 2tmd n GLY 561 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2tmd s VAL 562 N -1.99 1.34 -0.41 1.61 -7.23 -1.26 -4.86 120.40 107.59 2tmd s VAL 562 Ca 0.39 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.28 2tmd s VAL 562 Cb 0.21 -2.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 2tmd s VAL 562 CO 0.33 0.00 1.82 -2.28 -0.31 0.00 0.00 175.10 174.67 2tmd s HIS 563 N -3.14 1.76 0.11 2.82 5.65 -1.26 -4.72 115.29 116.51 2tmd s HIS 563 Ca 0.34 0.71 -0.34 0.00 0.25 0.00 0.00 55.06 56.01 2tmd s HIS 563 Cb 0.08 -4.10 -0.14 0.00 -1.18 0.00 0.00 32.58 27.24 2tmd s HIS 563 CO 0.16 -2.73 1.60 -0.11 -0.65 0.00 0.00 174.74 173.01 2tmd n LEU 564 N 11.11 2.96 -2.50 8.88 7.94 -1.26 -1.94 117.00 142.19 2tmd n LEU 564 Ca 0.23 1.07 -0.20 0.00 -1.11 0.00 0.00 56.01 55.99 2tmd n LEU 564 Cb 0.49 -1.38 -0.00 0.00 0.53 0.00 0.00 43.42 43.05 2tmd n LEU 564 CO 0.69 -0.35 -0.22 0.00 -1.11 0.00 0.00 177.39 176.41 2tmd n ALA 565 N 3.82 -0.69 -0.29 1.96 0.00 -1.25 -4.86 120.51 119.20 2tmd n ALA 565 Ca 0.18 0.18 0.02 0.00 0.00 0.00 0.00 53.44 53.82 2tmd n ALA 565 Cb 0.27 -2.36 0.16 0.00 0.00 0.00 0.00 19.45 17.52 2tmd n ALA 565 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2tmd h ASN 566 N -0.20 0.68 0.95 0.00 -1.24 -0.66 -0.25 115.58 114.86 2tmd h ASN 566 Ca -0.48 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.58 2tmd h ASN 566 Cb 1.35 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.31 2tmd h ASN 566 CO 0.56 0.40 0.00 0.22 -1.29 0.00 0.00 177.43 177.32 2tmd h TYR 567 N 0.80 0.00 0.00 0.67 3.20 -0.99 -0.88 116.97 119.77 2tmd h TYR 567 Ca 0.39 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.26 2tmd h TYR 567 Cb 0.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2tmd h TYR 567 CO -0.06 0.00 0.00 -1.33 -1.64 0.00 0.00 178.16 175.13 2tmd n MET 568 N -2.71 0.07 -0.27 1.82 2.81 -0.11 -1.48 117.12 117.25 2tmd n MET 568 Ca 0.01 0.06 -0.05 0.00 -1.81 0.00 0.00 57.70 55.91 2tmd n MET 568 Cb 0.29 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.35 2tmd n MET 568 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2tmd h HIS 569 N 0.00 0.96 0.00 2.03 3.86 -1.19 -1.09 115.15 119.72 2tmd h HIS 569 Ca 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 2tmd h HIS 569 Cb 0.40 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 2tmd h HIS 569 CO 0.00 0.64 -0.83 0.74 0.86 0.00 0.00 177.93 179.34 2tmd h PHE 570 N 1.00 0.00 -0.01 2.45 0.04 -1.42 -2.88 116.94 116.12 2tmd h PHE 570 Ca 0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.03 2tmd h PHE 570 Cb -0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.11 2tmd h PHE 570 CO -0.01 0.67 -0.11 0.25 -0.60 0.00 0.00 178.31 178.52 2tmd n THR 571 N -3.20 0.00 -1.12 -1.55 -2.24 -1.11 -2.74 114.28 102.33 2tmd n THR 571 Ca -0.01 -0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 2tmd n THR 571 Cb 0.82 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 2tmd n THR 571 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2tmd n LEU 572 N -0.28 -0.20 0.05 3.22 4.32 -0.94 -4.74 117.00 118.42 2tmd n LEU 572 Ca 0.16 0.10 0.11 0.00 -0.02 0.00 0.00 56.01 56.37 2tmd n LEU 572 Cb 0.34 -1.16 -0.05 0.00 -1.62 0.00 0.00 43.42 40.93 2tmd n LEU 572 CO 0.21 -0.31 -0.23 -0.62 -1.22 0.00 0.00 177.39 175.22 2tmd n GLU 573 N -2.50 0.53 -0.03 3.23 1.02 -0.50 -4.57 120.64 117.82 2tmd n GLU 573 Ca -0.04 -0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.00 2tmd n GLU 573 Cb 0.18 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 2tmd n GLU 573 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2tmd h TYR 574 N 0.00 -0.00 -0.14 -0.32 5.03 -1.65 -0.67 116.97 119.21 2tmd h TYR 574 Ca 0.00 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.37 2tmd h TYR 574 Cb 0.92 0.03 -0.06 0.00 1.55 0.00 0.00 36.73 39.17 2tmd h TYR 574 CO 0.00 -0.02 -0.26 -1.35 -1.32 0.00 0.00 178.16 175.21 2tmd h PRO 575 N 0.06 -0.30 0.00 1.82 0.11 -1.87 0.80 132.00 132.62 2tmd h PRO 575 Ca 0.08 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.10 2tmd h PRO 575 Cb 0.10 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 2tmd h PRO 575 CO -0.14 -0.20 -0.55 -0.91 -0.21 0.00 0.00 178.00 175.99 2tmd h ASN 576 N -0.32 0.00 -0.54 -2.05 2.35 -1.82 -1.47 115.58 111.73 2tmd h ASN 576 Ca 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 2tmd h ASN 576 Cb 0.47 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 2tmd h ASN 576 CO -0.32 0.55 0.22 -0.03 -1.65 0.00 0.00 177.43 176.19 2tmd h MET 577 N 0.00 0.81 -0.22 0.81 4.05 -0.85 -0.34 114.93 119.18 2tmd h MET 577 Ca -0.01 -0.14 -0.14 0.00 -0.28 0.00 0.00 59.70 59.13 2tmd h MET 577 Cb 1.18 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 2tmd h MET 577 CO 0.07 0.70 -0.46 0.52 0.23 0.00 0.00 176.91 177.97 2tmd h MET 578 N 0.74 0.57 -0.58 0.39 2.86 -0.43 -0.91 114.93 117.58 2tmd h MET 578 Ca 0.18 -0.32 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 2tmd h MET 578 Cb 0.19 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2tmd h MET 578 CO -0.02 0.91 0.10 0.00 1.06 0.00 0.00 176.91 178.96 2tmd h ARG 579 N 0.46 0.92 -0.17 1.72 3.08 -1.16 -1.49 114.38 117.74 2tmd h ARG 579 Ca 0.03 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 2tmd h ARG 579 Cb 0.98 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2tmd h ARG 579 CO 0.09 0.85 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.72 2tmd h ARG 580 N 0.87 0.32 -0.25 0.04 9.65 -0.67 -1.20 114.38 123.15 2tmd h ARG 580 Ca 0.18 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.92 2tmd h ARG 580 Cb 0.38 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 2tmd h ARG 580 CO 0.01 0.58 0.04 -0.07 2.80 0.00 0.00 179.97 183.34 2tmd h LEU 581 N 0.04 0.32 -0.17 3.80 3.38 -1.10 -2.40 115.31 119.18 2tmd h LEU 581 Ca 0.04 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2tmd h LEU 581 Cb 0.46 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2tmd h LEU 581 CO 0.02 0.34 -0.23 -0.74 0.09 0.00 0.00 178.44 177.91 2tmd h HIS 582 N 0.35 0.57 0.00 1.13 2.76 -0.93 -1.20 115.15 117.82 2tmd h HIS 582 Ca 0.08 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2tmd h HIS 582 Cb 0.16 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.01 2tmd h HIS 582 CO 0.00 0.87 0.00 1.05 -1.30 0.00 0.00 177.93 178.55 2tmd h GLU 583 N 0.10 0.00 -0.23 5.26 4.11 -1.07 -1.82 114.58 120.93 2tmd h GLU 583 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2tmd h GLU 583 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2tmd h GLU 583 CO 0.05 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.41 2tmd n LEU 584 N -2.56 2.16 -3.59 3.06 4.77 -0.92 -4.95 117.00 114.97 2tmd n LEU 584 Ca 0.02 -0.91 -0.25 0.00 -0.03 0.00 0.00 56.01 54.84 2tmd n LEU 584 Cb 0.30 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.31 2tmd n LEU 584 CO 0.24 0.46 0.18 1.41 -1.33 0.00 0.00 177.39 178.35 2tmd n HIS 585 N 0.65 -2.64 -2.77 -1.77 8.25 -0.68 -4.94 115.22 111.31 2tmd n HIS 585 Ca 0.17 0.92 -0.42 0.00 -0.26 0.00 0.00 57.72 58.13 2tmd n HIS 585 Cb 0.40 -4.71 -0.03 0.00 1.12 0.00 0.00 29.99 26.78 2tmd n HIS 585 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2tmd s VAL 586 N -3.29 4.86 -0.06 1.59 1.01 -0.51 -4.70 120.40 119.30 2tmd s VAL 586 Ca 0.57 1.90 -0.21 0.00 0.00 0.00 0.00 61.98 64.24 2tmd s VAL 586 Cb -0.26 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2tmd s VAL 586 CO 0.70 0.08 0.62 -0.70 0.00 0.00 0.00 175.10 175.80 2tmd s GLU 587 N 1.62 4.38 -0.15 2.72 2.12 -0.57 -4.76 118.70 124.07 2tmd s GLU 587 Ca 0.46 0.75 -0.01 0.00 0.36 0.00 0.00 54.97 56.53 2tmd s GLU 587 Cb -0.19 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 2tmd s GLU 587 CO 0.20 0.18 -0.12 -1.21 -0.54 0.00 0.00 175.26 173.77 2tmd s GLU 588 N 0.45 3.37 -0.66 4.30 2.02 -1.26 -0.33 118.70 126.59 2tmd s GLU 588 Ca 0.33 -0.68 0.04 0.00 0.02 0.00 0.00 54.97 54.68 2tmd s GLU 588 Cb -0.17 -2.70 0.16 0.00 0.10 0.00 0.00 34.13 31.52 2tmd s GLU 588 CO 0.16 0.12 0.44 -1.17 0.02 0.00 0.00 175.26 174.83 2tmd s LEU 589 N 0.60 4.75 0.75 1.80 2.96 0.13 -4.94 118.68 124.72 2tmd s LEU 589 Ca -0.07 -3.51 -0.11 0.00 -0.22 0.00 0.00 54.13 50.22 2tmd s LEU 589 Cb -0.15 -1.68 0.05 0.00 0.50 0.00 0.00 46.19 44.91 2tmd s LEU 589 CO 0.03 -0.16 1.12 -0.83 -1.32 0.00 0.00 176.35 175.20 2tmd s GLY 590 N -0.84 1.61 -1.55 7.98 0.00 -1.26 -1.53 107.32 111.73 2tmd s GLY 590 Ca 0.22 -0.57 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 2tmd s GLY 590 CO -0.10 -0.14 0.10 1.22 0.00 0.00 0.00 173.10 174.18 2tmd n ASP 591 N -3.14 -5.42 -4.00 1.64 8.00 -0.79 -4.83 116.55 108.01 2tmd n ASP 591 Ca 0.07 -0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.38 2tmd n ASP 591 Cb 0.59 -4.44 -0.13 0.00 -0.02 0.00 0.00 41.12 37.13 2tmd n ASP 591 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2tmd s HIS 592 N -2.96 0.51 0.00 1.24 3.76 -1.10 -1.10 115.29 115.63 2tmd s HIS 592 Ca 0.05 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 2tmd s HIS 592 Cb -0.02 -0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.35 2tmd s HIS 592 CO 0.06 -0.06 0.00 0.34 -0.85 0.00 0.00 174.74 174.23 2tmd n PHE 593 N 2.16 0.00 -4.39 1.40 7.35 -0.55 -1.93 117.46 121.50 2tmd n PHE 593 Ca -0.18 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.22 2tmd n PHE 593 Cb 0.56 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 40.23 2tmd n PHE 593 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2tmd h SER 595 N 7.51 0.05 -4.10 0.00 4.64 -1.50 -3.49 113.55 116.67 2tmd h SER 595 Ca -0.32 -0.09 0.14 0.00 -0.47 0.00 0.00 61.79 61.05 2tmd h SER 595 Cb 1.17 -0.02 -0.21 0.00 -0.31 0.00 0.00 62.40 63.03 2tmd h SER 595 CO 0.49 1.08 0.65 0.00 -0.87 0.00 0.00 176.83 178.18 2tmd s ARG 596 N -2.63 0.51 0.05 4.77 1.70 -1.24 -4.27 118.95 117.84 2tmd s ARG 596 Ca -0.04 -0.01 0.08 0.00 -0.47 0.00 0.00 55.73 55.29 2tmd s ARG 596 Cb 0.08 0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 2tmd s ARG 596 CO 0.82 -0.18 -0.23 0.42 -1.08 0.00 0.00 175.30 175.05 2tmd s ILE 597 N -1.72 1.84 0.35 4.99 1.01 0.12 -0.51 121.20 127.28 2tmd s ILE 597 Ca 0.03 -1.30 0.03 0.00 0.00 0.00 0.00 60.65 59.41 2tmd s ILE 597 Cb -0.01 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 2tmd s ILE 597 CO -0.03 0.24 0.09 -1.61 0.00 0.00 0.00 174.94 173.63 2tmd s GLU 598 N -1.27 1.73 0.02 2.79 2.02 0.72 -4.27 118.70 120.44 2tmd s GLU 598 Ca 0.09 -2.00 -0.30 0.00 0.02 0.00 0.00 54.97 52.78 2tmd s GLU 598 Cb -0.09 -0.68 -0.08 0.00 0.10 0.00 0.00 34.13 33.38 2tmd s GLU 598 CO 0.02 -0.32 1.84 -2.14 0.02 0.00 0.00 175.26 174.68 2tmd s PRO 599 N -3.84 4.16 0.00 0.39 0.02 -1.26 -2.96 135.00 131.50 2tmd s PRO 599 Ca 0.32 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.80 2tmd s PRO 599 Cb 0.06 -4.01 0.00 0.00 0.02 0.00 0.00 34.50 30.57 2tmd s PRO 599 CO 0.15 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 2tmd n GLY 600 N 4.35 0.83 3.51 0.52 0.00 -1.26 -4.97 105.19 108.17 2tmd n GLY 600 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 2tmd n GLY 600 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2tmd s ARG 601 N -0.10 1.07 0.01 1.61 1.70 -1.16 -1.39 118.95 120.69 2tmd s ARG 601 Ca 0.00 0.11 -0.00 0.00 -0.47 0.00 0.00 55.73 55.37 2tmd s ARG 601 Cb 0.00 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.87 2tmd s ARG 601 CO 0.00 -0.36 -0.00 0.00 -1.08 0.00 0.00 175.30 173.85 2tmd s MET 602 N -1.68 0.18 -0.23 3.89 0.23 0.26 -0.20 119.30 121.75 2tmd s MET 602 Ca -0.08 -0.31 -0.17 0.00 -1.03 0.00 0.00 55.69 54.10 2tmd s MET 602 Cb -0.00 0.06 -0.03 0.00 -1.53 0.00 0.00 34.83 33.33 2tmd s MET 602 CO 0.05 -0.03 0.47 -2.00 -2.03 0.00 0.00 175.02 171.48 2tmd s GLU 603 N -0.77 4.13 0.18 3.16 2.12 0.34 -0.75 118.70 127.11 2tmd s GLU 603 Ca -0.08 0.29 0.09 0.00 0.36 0.00 0.00 54.97 55.63 2tmd s GLU 603 Cb -0.05 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 2tmd s GLU 603 CO -0.00 -0.20 -0.13 0.96 -0.54 0.00 0.00 175.26 175.35 2tmd s ILE 604 N 1.81 2.99 0.06 -3.70 -4.36 0.07 -1.18 121.20 116.89 2tmd s ILE 604 Ca 0.21 -1.73 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 2tmd s ILE 604 Cb -0.15 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 2tmd s ILE 604 CO 0.09 -0.10 -0.05 -0.72 0.24 0.00 0.00 174.94 174.40 2tmd s TYR 605 N -1.67 0.64 -0.01 1.37 1.13 -0.46 -1.26 117.35 117.10 2tmd s TYR 605 Ca 0.24 -0.80 -0.30 0.00 -1.41 0.00 0.00 57.07 54.79 2tmd s TYR 605 Cb -0.09 -0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 40.33 2tmd s TYR 605 CO 0.14 -0.20 1.11 1.21 -2.51 0.00 0.00 175.55 175.30 2tmd s ASN 606 N -2.43 7.18 0.00 -0.18 3.84 -1.26 -1.49 114.94 120.59 2tmd s ASN 606 Ca 0.01 1.80 0.18 0.00 0.21 0.00 0.00 52.86 55.06 2tmd s ASN 606 Cb 0.00 -2.57 0.77 0.00 -0.55 0.00 0.00 41.25 38.91 2tmd s ASN 606 CO -0.04 -0.44 1.57 2.30 -2.79 0.00 0.00 177.10 177.70 2tmd n ILE 607 N 4.17 0.75 -1.03 -5.21 -5.35 -0.26 -1.68 119.36 110.75 2tmd n ILE 607 Ca 0.09 0.19 0.05 0.00 -0.27 0.00 0.00 62.75 62.80 2tmd n ILE 607 Cb 0.48 -0.88 0.29 0.00 -1.74 0.00 0.00 39.64 37.79 2tmd n ILE 607 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 2tmd n TRP 608 N -1.48 1.46 0.75 4.28 5.03 -1.26 -4.64 117.44 121.57 2tmd n TRP 608 Ca 0.05 -0.98 0.13 0.00 3.03 0.00 0.00 57.50 59.73 2tmd n TRP 608 Cb 0.20 -0.44 0.45 0.00 -1.03 0.00 0.00 31.31 30.50 2tmd n TRP 608 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2tmd n GLY 609 N -0.28 -1.61 3.77 6.99 0.00 -0.67 -4.84 105.19 108.55 2tmd n GLY 609 Ca 0.27 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 2tmd n GLY 609 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2tmd s ASP 610 N -3.97 5.38 0.58 1.61 1.01 -1.26 -4.06 116.67 115.96 2tmd s ASP 610 Ca 0.11 2.04 -0.20 0.00 0.71 0.00 0.00 52.55 55.21 2tmd s ASP 610 Cb 0.15 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 2tmd s ASP 610 CO 0.59 -1.45 1.30 0.61 0.21 0.00 0.00 175.17 176.43 2tmd n GLY 611 N -0.33 0.60 0.17 0.21 0.00 0.00 -4.93 105.19 100.91 2tmd n GLY 611 Ca 0.11 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.14 2tmd n GLY 611 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2tmd h SER 612 N 1.06 0.00 -3.35 1.61 4.64 -1.94 -3.41 113.55 112.16 2tmd h SER 612 Ca -0.51 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.25 2tmd h SER 612 Cb 1.32 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.35 2tmd h SER 612 CO 0.55 0.32 0.01 -0.54 -0.87 0.00 0.00 176.83 176.30 2tmd s LYS 613 N -3.05 4.40 -0.23 4.77 1.02 -1.26 -5.06 119.74 120.32 2tmd s LYS 613 Ca 0.05 0.74 -0.08 0.00 0.02 0.00 0.00 55.97 56.70 2tmd s LYS 613 Cb 0.07 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 2tmd s LYS 613 CO 0.72 0.13 0.09 0.50 -0.92 0.00 0.00 175.35 175.87 2tmd s ARG 614 N 0.62 3.84 -0.02 1.68 3.00 -1.26 -4.41 118.95 122.40 2tmd s ARG 614 Ca 0.33 -0.39 0.01 0.00 -1.00 0.00 0.00 55.73 54.68 2tmd s ARG 614 Cb -0.17 -3.35 0.02 0.00 0.00 0.00 0.00 34.95 31.44 2tmd s ARG 614 CO 0.16 -0.02 -0.03 -0.08 0.00 0.00 0.00 175.30 175.34 2tmd s THR 615 N 1.18 0.32 -0.25 4.11 -1.32 0.37 -5.03 115.64 115.03 2tmd s THR 615 Ca 0.05 -0.05 -0.29 0.00 -1.21 0.00 0.00 61.69 60.19 2tmd s THR 615 Cb -0.14 -0.35 -0.03 0.00 -1.51 0.00 0.00 72.50 70.47 2tmd s THR 615 CO 0.04 0.15 1.73 -0.47 -2.21 0.00 0.00 174.62 173.86 2tmd s TYR 616 N 0.62 1.90 -0.40 9.09 5.04 -1.26 -4.29 117.35 128.05 2tmd s TYR 616 Ca -0.07 0.52 0.15 0.00 -2.44 0.00 0.00 57.07 55.23 2tmd s TYR 616 Cb -0.10 -4.05 0.48 0.00 0.35 0.00 0.00 41.96 38.64 2tmd s TYR 616 CO -0.01 -3.15 1.39 0.54 -1.34 0.00 0.00 175.55 172.98 2tmd n ARG 617 N 8.00 2.97 0.00 4.97 1.74 -1.26 -5.09 116.66 127.98 2tmd n ARG 617 Ca 0.21 -2.63 0.00 0.00 -0.77 0.00 0.00 57.85 54.66 2tmd n ARG 617 Cb 0.46 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2tmd n ARG 617 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2tmd n GLY 618 N -0.18 -1.05 3.78 -0.13 0.00 -1.26 -4.75 105.19 101.60 2tmd n GLY 618 Ca 0.19 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 2tmd n GLY 618 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2tmd s PRO 619 N -1.40 3.77 0.00 1.61 0.04 -1.26 -3.52 135.00 134.24 2tmd s PRO 619 Ca 0.00 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2tmd s PRO 619 Cb 0.00 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2tmd s PRO 619 CO 0.00 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2tmd n GLY 620 N 0.15 2.95 3.10 0.56 0.00 -1.26 -5.01 105.19 105.68 2tmd n GLY 620 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2tmd n GLY 620 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2tmd s VAL 621 N -2.41 1.34 0.45 1.61 0.11 -1.23 -5.12 120.40 115.15 2tmd s VAL 621 Ca 0.00 -0.64 -0.25 0.00 -2.93 0.00 0.00 61.98 58.15 2tmd s VAL 621 Cb 0.00 -1.17 -0.08 0.00 -1.53 0.00 0.00 36.38 33.60 2tmd s VAL 621 CO 0.00 0.39 1.43 -0.55 -3.33 0.00 0.00 175.10 173.04 2tmd s SER 622 N 0.24 5.91 0.00 3.54 0.15 -1.26 -4.68 113.70 117.60 2tmd s SER 622 Ca -0.08 2.92 0.17 0.00 0.70 0.00 0.00 55.95 59.66 2tmd s SER 622 Cb -0.13 -2.65 0.95 0.00 -1.71 0.00 0.00 66.02 62.47 2tmd s SER 622 CO 0.03 -1.15 1.62 -0.81 1.20 0.00 0.00 173.24 174.12 2tmd n PRO 623 N -0.15 1.07 -4.30 5.44 -0.04 -1.26 -4.74 135.00 131.03 2tmd n PRO 623 Ca 0.05 -0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.16 2tmd n PRO 623 Cb 0.42 -1.27 -0.12 0.00 -0.04 0.00 0.00 33.50 32.49 2tmd n PRO 623 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2tmd s ARG 624 N -1.98 1.16 0.60 0.54 0.52 -1.26 -0.48 118.95 118.06 2tmd s ARG 624 Ca 0.25 -1.22 -0.19 0.00 -0.52 0.00 0.00 55.73 54.05 2tmd s ARG 624 Cb 0.12 -1.38 -0.04 0.00 0.52 0.00 0.00 34.95 34.16 2tmd s ARG 624 CO 0.19 0.31 1.05 -0.25 0.02 0.00 0.00 175.30 176.62 2tmd n ASP 625 N 0.90 1.12 -4.78 0.23 8.00 -1.26 -4.75 116.55 116.02 2tmd n ASP 625 Ca -0.18 0.83 -0.37 0.00 0.71 0.00 0.00 54.79 55.78 2tmd n ASP 625 Cb 0.54 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.19 2tmd n ASP 625 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2tmd s ALA 626 N -1.47 3.05 0.14 2.24 0.00 -1.26 -0.82 121.76 123.64 2tmd s ALA 626 Ca 0.76 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 53.25 2tmd s ALA 626 Cb -0.41 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.30 2tmd s ALA 626 CO 0.46 -0.43 1.34 1.21 0.00 0.00 0.00 175.76 178.34 2tmd s ASN 627 N -1.42 6.88 -0.00 0.00 3.04 -1.26 -4.59 114.94 117.59 2tmd s ASN 627 Ca 0.60 2.32 0.00 0.00 0.04 0.00 0.00 52.86 55.82 2tmd s ASN 627 Cb -0.26 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 36.86 2tmd s ASN 627 CO 0.32 -0.59 0.85 0.41 -3.04 0.00 0.00 177.10 175.04 2tmd n THR 628 N 3.52 0.69 1.62 -5.21 -1.04 -1.26 -4.75 114.28 107.85 2tmd n THR 628 Ca 0.09 -0.70 0.13 0.00 -2.04 0.00 0.00 64.05 61.53 2tmd n THR 628 Cb 0.43 0.65 0.58 0.00 -1.82 0.00 0.00 70.33 70.16 2tmd n THR 628 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2tmd n SER 629 N -0.35 0.97 -4.73 8.00 3.41 -1.26 -4.91 113.62 114.74 2tmd n SER 629 Ca 0.00 -1.44 -0.42 0.00 -0.26 0.00 0.00 58.87 56.76 2tmd n SER 629 Cb 0.33 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 2tmd n SER 629 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2tmd s HIS 630 N -1.94 3.00 0.04 7.33 3.76 -1.26 -4.44 115.29 121.78 2tmd s HIS 630 Ca 0.37 0.77 -0.07 0.00 -0.15 0.00 0.00 55.06 55.98 2tmd s HIS 630 Cb 0.19 -3.92 -0.01 0.00 1.11 0.00 0.00 32.58 29.95 2tmd s HIS 630 CO 0.30 -3.23 0.14 -0.98 -0.85 0.00 0.00 174.74 170.11 2tmd s ARG 631 N 0.40 0.64 -0.06 1.40 1.70 -0.38 -4.98 118.95 117.66 2tmd s ARG 631 Ca 0.66 -0.73 -0.12 0.00 -0.47 0.00 0.00 55.73 55.07 2tmd s ARG 631 Cb -0.44 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.15 2tmd s ARG 631 CO 0.38 -0.17 0.30 -1.58 -1.08 0.00 0.00 175.30 173.14 2tmd s TRP 632 N -2.70 3.65 0.11 5.89 0.52 -1.26 -0.75 118.94 124.41 2tmd s TRP 632 Ca -0.04 0.78 0.08 0.00 0.02 0.00 0.00 56.10 56.94 2tmd s TRP 632 Cb -0.01 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 2tmd s TRP 632 CO -0.05 0.63 -0.20 0.96 0.02 0.00 0.00 176.95 178.31 2tmd s ILE 633 N -0.87 1.72 0.20 2.03 -4.36 0.07 -4.95 121.20 115.06 2tmd s ILE 633 Ca 0.20 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 2tmd s ILE 633 Cb -0.15 -1.61 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 2tmd s ILE 633 CO 0.09 -0.12 0.36 -1.61 0.24 0.00 0.00 174.94 173.91 2tmd s GLU 634 N -2.09 3.48 0.12 0.37 2.02 -1.26 -0.58 118.70 120.76 2tmd s GLU 634 Ca 0.08 -0.50 -0.12 0.00 0.02 0.00 0.00 54.97 54.46 2tmd s GLU 634 Cb -0.09 -2.87 0.01 0.00 0.10 0.00 0.00 34.13 31.28 2tmd s GLU 634 CO 0.05 0.42 0.30 -0.59 0.02 0.00 0.00 175.26 175.45 2tmd s PHE 635 N -1.89 0.04 -0.15 1.61 -0.12 -0.49 -4.92 117.98 112.06 2tmd s PHE 635 Ca 0.37 -0.41 -0.03 0.00 -0.05 0.00 0.00 56.93 56.80 2tmd s PHE 635 Cb -0.11 0.08 -0.24 0.00 -0.63 0.00 0.00 43.02 42.13 2tmd s PHE 635 CO 0.29 -0.64 0.25 -0.25 -0.05 0.00 0.00 175.22 174.83 2tmd n ASP 636 N -0.15 1.96 -4.04 1.98 8.00 -0.18 -4.51 116.55 119.61 2tmd n ASP 636 Ca -0.14 0.14 -0.14 0.00 0.71 0.00 0.00 54.79 55.37 2tmd n ASP 636 Cb 0.63 -0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 40.94 2tmd n ASP 636 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2tmd s SER 637 N -6.83 0.81 -0.20 -2.24 0.01 -0.72 -4.64 113.70 99.89 2tmd s SER 637 Ca -0.24 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.57 2tmd s SER 637 Cb 0.07 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.34 2tmd s SER 637 CO 0.74 -0.15 -0.17 -0.22 0.41 0.00 0.00 173.24 173.84 2tmd s LEU 638 N -1.31 2.40 -0.16 2.44 0.20 0.50 -1.38 118.68 121.37 2tmd s LEU 638 Ca -0.08 -0.73 -0.17 0.00 0.69 0.00 0.00 54.13 53.84 2tmd s LEU 638 Cb -0.09 -1.52 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 2tmd s LEU 638 CO 0.00 -0.03 0.44 -0.69 -0.29 0.00 0.00 176.35 175.78 2tmd s VAL 639 N 1.28 5.19 -0.31 1.68 1.01 0.40 -0.50 120.40 129.16 2tmd s VAL 639 Ca 0.03 0.83 -0.14 0.00 0.00 0.00 0.00 61.98 62.70 2tmd s VAL 639 Cb -0.14 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2tmd s VAL 639 CO -0.11 0.29 0.30 -0.76 0.00 0.00 0.00 175.10 174.82 2tmd s LEU 640 N 0.96 4.25 -0.51 3.92 1.43 0.43 -1.25 118.68 127.91 2tmd s LEU 640 Ca 0.22 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.32 2tmd s LEU 640 Cb -0.15 -2.27 0.31 0.00 0.03 0.00 0.00 46.19 44.12 2tmd s LEU 640 CO 0.09 -0.21 0.79 0.52 0.23 0.00 0.00 176.35 177.77 2tmd n VAL 641 N 5.14 1.50 0.68 -1.59 0.31 -0.25 -4.11 118.33 120.01 2tmd n VAL 641 Ca -0.11 -5.02 0.10 0.00 -0.01 0.00 0.00 64.34 59.30 2tmd n VAL 641 Cb 0.50 -1.29 -0.13 0.00 -0.91 0.00 0.00 33.84 32.02 2tmd n VAL 641 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2tmd n THR 642 N 0.34 0.00 0.00 2.52 -2.24 -1.26 -1.39 114.28 112.25 2tmd n THR 642 Ca 0.28 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2tmd n THR 642 Cb 0.49 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 2tmd n THR 642 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2tmd n GLY 643 N 1.43 2.09 3.44 3.38 0.00 -1.26 -4.16 105.19 110.11 2tmd n GLY 643 Ca 0.02 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 2tmd n GLY 643 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2tmd s ARG 644 N -1.94 1.58 0.02 1.61 0.52 -1.26 -0.94 118.95 118.54 2tmd s ARG 644 Ca 0.00 -1.73 0.02 0.00 -0.52 0.00 0.00 55.73 53.50 2tmd s ARG 644 Cb 0.00 -1.55 -0.01 0.00 0.52 0.00 0.00 34.95 33.90 2tmd s ARG 644 CO 0.00 0.26 -0.06 -3.38 0.02 0.00 0.00 175.30 172.14 2tmd s HIS 645 N -2.67 0.52 0.31 -0.53 -3.43 -0.33 -4.86 115.29 104.30 2tmd s HIS 645 Ca 0.28 -0.27 -0.30 0.00 -0.80 0.00 0.00 55.06 53.97 2tmd s HIS 645 Cb -0.03 -0.32 -0.12 0.00 -1.43 0.00 0.00 32.58 30.68 2tmd s HIS 645 CO 0.13 -0.05 1.58 0.43 -2.00 0.00 0.00 174.74 174.83 2tmd n SER 646 N 2.29 3.86 -4.42 7.38 7.64 -1.26 -1.48 113.62 127.63 2tmd n SER 646 Ca -0.17 1.16 -0.45 0.00 1.01 0.00 0.00 58.87 60.42 2tmd n SER 646 Cb 0.57 -1.60 -0.02 0.00 -1.01 0.00 0.00 64.21 62.14 2tmd n SER 646 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2tmd s GLU 647 N -0.76 3.61 -0.21 1.43 2.56 0.10 -4.84 118.70 120.59 2tmd s GLU 647 Ca 0.62 -1.96 0.14 0.00 0.00 0.00 0.00 54.97 53.77 2tmd s GLU 647 Cb -0.49 -4.79 0.45 0.00 2.00 0.00 0.00 34.13 31.29 2tmd s GLU 647 CO 0.51 -1.65 1.19 0.00 -0.56 0.00 0.00 175.26 174.75 2tmd h THR 649 N 2.93 1.23 0.20 0.00 2.02 -1.97 0.47 112.91 117.79 2tmd h THR 649 Ca 0.07 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.51 2tmd h THR 649 Cb 1.35 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 69.19 2tmd h THR 649 CO 0.30 0.22 -0.30 0.25 0.37 0.00 0.00 175.52 176.36 2tmd h LEU 650 N 0.00 -0.83 -0.53 2.58 6.46 -1.94 -1.65 115.31 119.39 2tmd h LEU 650 Ca 0.04 0.09 0.11 0.00 -0.12 0.00 0.00 57.88 57.99 2tmd h LEU 650 Cb 0.32 0.30 -0.11 0.00 -0.73 0.00 0.00 40.66 40.45 2tmd h LEU 650 CO 0.00 -0.41 -0.22 -0.25 -0.62 0.00 0.00 178.44 176.94 2tmd h TRP 651 N -0.57 -0.57 -0.81 1.25 2.91 -1.86 -0.90 115.95 115.42 2tmd h TRP 651 Ca 0.01 0.06 0.03 0.00 1.13 0.00 0.00 58.89 60.12 2tmd h TRP 651 Cb 0.56 0.33 -0.05 0.00 -0.51 0.00 0.00 29.16 29.49 2tmd h TRP 651 CO -0.23 -0.31 0.52 -0.91 -1.03 0.00 0.00 178.44 176.47 2tmd h ASN 652 N -0.10 0.86 -0.28 2.65 -0.26 -0.55 -0.71 115.58 117.19 2tmd h ASN 652 Ca 0.25 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.95 2tmd h ASN 652 Cb 0.48 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 2tmd h ASN 652 CO -0.60 0.59 0.06 -0.33 -1.06 0.00 0.00 177.43 176.09 2tmd h GLU 653 N 1.01 0.45 -0.73 0.81 5.08 -0.37 -0.86 114.58 119.97 2tmd h GLU 653 Ca 0.32 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2tmd h GLU 653 Cb 0.00 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2tmd h GLU 653 CO -0.11 0.55 0.46 -0.07 -1.00 0.00 0.00 179.01 178.84 2tmd h LEU 654 N 0.27 0.85 -0.67 1.33 3.38 -0.72 -1.70 115.31 118.05 2tmd h LEU 654 Ca 0.08 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2tmd h LEU 654 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2tmd h LEU 654 CO 0.00 0.63 -0.59 0.11 0.09 0.00 0.00 178.44 178.69 2tmd h LYS 655 N 0.99 0.25 -0.21 1.13 1.79 -0.83 -2.40 116.57 117.29 2tmd h LYS 655 Ca 0.26 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 2tmd h LYS 655 Cb -0.09 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 2tmd h LYS 655 CO -0.05 0.77 -0.00 0.00 -1.08 0.00 0.00 179.45 179.08 2tmd h ALA 656 N 1.20 1.61 -0.67 3.86 0.00 -0.36 -2.77 119.26 122.12 2tmd h ALA 656 Ca -0.00 -0.13 -0.41 0.00 0.00 0.00 0.00 54.91 54.36 2tmd h ALA 656 Cb 1.08 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.53 2tmd h ALA 656 CO 0.09 0.29 0.11 0.54 0.00 0.00 0.00 179.25 180.29 2tmd n ARG 657 N -4.36 2.40 0.24 0.00 1.74 -0.72 -4.64 116.66 111.31 2tmd n ARG 657 Ca 0.00 -3.36 0.13 0.00 -0.77 0.00 0.00 57.85 53.85 2tmd n ARG 657 Cb 0.19 -2.06 0.77 0.00 -1.02 0.00 0.00 32.46 30.34 2tmd n ARG 657 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2tmd h GLU 658 N 1.42 0.00 0.00 5.56 4.81 -1.14 -0.13 114.58 125.10 2tmd h GLU 658 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2tmd h GLU 658 Cb 1.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.06 2tmd h GLU 658 CO 0.83 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.77 2tmd h SER 659 N 0.00 0.00 0.03 1.04 4.64 -1.86 -1.94 113.55 115.45 2tmd h SER 659 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2tmd h SER 659 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2tmd h SER 659 CO -0.00 0.00 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.16 2tmd n GLU 660 N -2.40 1.58 -0.01 4.77 1.02 -0.06 -4.44 120.64 121.11 2tmd n GLU 660 Ca 0.01 -1.18 -0.12 0.00 -0.02 0.00 0.00 57.16 55.84 2tmd n GLU 660 Cb 0.18 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.04 2tmd n GLU 660 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2tmd h TRP 661 N 2.88 0.08 -0.61 -0.32 4.06 -1.44 -3.02 115.95 117.56 2tmd h TRP 661 Ca 0.00 -0.01 -0.10 0.00 2.06 0.00 0.00 58.89 60.84 2tmd h TRP 661 Cb 0.73 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.84 2tmd h TRP 661 CO 0.00 0.32 0.01 0.00 -3.56 0.00 0.00 178.44 175.21 2tmd h ALA 662 N 0.75 0.83 0.00 1.49 0.00 -1.78 -0.46 119.26 120.09 2tmd h ALA 662 Ca 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2tmd h ALA 662 Cb 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2tmd h ALA 662 CO 0.00 0.66 -0.01 1.05 0.00 0.00 0.00 179.25 180.96 2tmd h GLU 663 N 0.98 0.00 -0.68 0.00 4.11 -1.82 0.14 114.58 117.32 2tmd h GLU 663 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 2tmd h GLU 663 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2tmd h GLU 663 CO 0.03 0.01 0.00 0.09 0.07 0.00 0.00 179.01 179.21 2tmd n ASN 664 N -3.11 3.61 -2.18 3.06 4.13 -0.73 -4.95 115.26 115.09 2tmd n ASN 664 Ca 0.00 -2.00 -0.19 0.00 1.68 0.00 0.00 54.58 54.07 2tmd n ASN 664 Cb 0.28 -0.45 -0.01 0.00 -1.54 0.00 0.00 39.78 38.06 2tmd n ASN 664 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2tmd n ASP 665 N 1.47 -5.52 -4.54 6.41 8.00 0.51 -4.85 116.55 118.03 2tmd n ASP 665 Ca 0.23 -0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.29 2tmd n ASP 665 Cb 0.57 -4.57 -0.07 0.00 -0.02 0.00 0.00 41.12 37.03 2tmd n ASP 665 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2tmd s ILE 666 N -2.95 4.94 0.03 0.53 1.01 -0.26 -4.54 121.20 119.95 2tmd s ILE 666 Ca 0.00 0.28 0.21 0.00 0.00 0.00 0.00 60.65 61.14 2tmd s ILE 666 Cb 0.00 -4.07 0.19 0.00 0.01 0.00 0.00 42.46 38.59 2tmd s ILE 666 CO 0.00 -0.37 1.71 0.11 0.00 0.00 0.00 174.94 176.39 2tmd h LYS 667 N 8.60 0.00 -1.08 2.79 1.57 -0.19 -3.37 116.57 124.89 2tmd h LYS 667 Ca -0.27 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 58.73 2tmd h LYS 667 Cb 1.11 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.13 2tmd h LYS 667 CO 0.82 0.29 0.91 0.20 -0.57 0.00 0.00 179.45 181.11 2tmd s GLY 668 N -4.33 0.16 -0.06 3.86 0.00 -1.23 -5.03 107.32 100.71 2tmd s GLY 668 Ca 0.02 3.03 0.03 0.00 0.00 0.00 0.00 44.72 47.81 2tmd s GLY 668 CO 0.67 1.38 -0.15 -0.42 0.00 0.00 0.00 173.10 174.58 2tmd s ILE 669 N -0.67 1.32 0.05 0.90 1.01 -1.26 -0.79 121.20 121.77 2tmd s ILE 669 Ca 0.08 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.18 2tmd s ILE 669 Cb -0.02 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 2tmd s ILE 669 CO -0.10 0.39 -0.20 -0.31 0.00 0.00 0.00 174.94 174.72 2tmd s TYR 670 N 0.32 1.70 -0.20 3.97 2.02 0.45 -4.97 117.35 120.65 2tmd s TYR 670 Ca -0.09 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.19 2tmd s TYR 670 Cb -0.14 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.40 2tmd s TYR 670 CO 0.03 0.09 -0.01 -1.17 -1.57 0.00 0.00 175.55 172.92 2tmd s LEU 671 N -1.23 3.15 0.27 -1.29 2.96 -1.26 0.41 118.68 121.68 2tmd s LEU 671 Ca 0.06 -0.25 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 2tmd s LEU 671 Cb -0.09 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.75 2tmd s LEU 671 CO 0.02 0.05 -0.04 0.27 -1.32 0.00 0.00 176.35 175.32 2tmd s ILE 672 N 1.10 1.47 0.00 6.68 -4.36 -0.64 -4.77 121.20 120.68 2tmd s ILE 672 Ca 0.02 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 2tmd s ILE 672 Cb -0.14 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.14 2tmd s ILE 672 CO 0.01 -0.30 0.00 0.61 0.24 0.00 0.00 174.94 175.50 2tmd n GLY 673 N -0.54 0.83 0.26 6.27 0.00 -1.26 -3.32 105.19 107.42 2tmd n GLY 673 Ca -0.05 -0.77 0.13 0.00 0.00 0.00 0.00 46.02 45.33 2tmd n GLY 673 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2tmd h ASP 674 N 8.86 0.00 0.33 1.61 3.32 -1.85 -1.90 116.42 126.79 2tmd h ASP 674 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2tmd h ASP 674 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2tmd h ASP 674 CO 0.00 0.13 -0.30 0.00 -1.72 0.00 0.00 179.24 177.35 2tmd h ALA 675 N 1.87 1.45 0.02 3.45 0.00 -1.51 -3.07 119.26 121.47 2tmd h ALA 675 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2tmd h ALA 675 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2tmd h ALA 675 CO 0.02 0.38 -0.01 1.49 0.00 0.00 0.00 179.25 181.12 2tmd h GLU 676 N 0.00 -0.03 -1.91 0.00 4.81 -1.40 -3.42 114.58 112.63 2tmd h GLU 676 Ca -0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2tmd h GLU 676 Cb 0.55 0.01 -0.22 0.00 0.63 0.00 0.00 28.75 29.71 2tmd h GLU 676 CO 0.04 0.68 0.15 0.00 -0.73 0.00 0.00 179.01 179.15 2tmd s ALA 677 N -2.70 -1.89 0.21 2.92 0.00 -1.03 -4.93 121.76 114.34 2tmd s ALA 677 Ca -0.15 2.19 -0.32 0.00 0.00 0.00 0.00 51.96 53.68 2tmd s ALA 677 Cb -0.02 -1.36 -0.14 0.00 0.00 0.00 0.00 23.12 21.60 2tmd s ALA 677 CO 0.55 -0.34 1.35 -2.30 0.00 0.00 0.00 175.76 175.02 2tmd n PRO 678 N 3.38 1.77 -4.01 0.00 -0.02 -1.18 -3.94 135.00 131.00 2tmd n PRO 678 Ca -0.17 0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 61.82 2tmd n PRO 678 Cb 0.57 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 2tmd n PRO 678 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2tmd s ARG 679 N -0.28 2.01 0.61 -0.52 1.70 -1.26 -5.01 118.95 116.21 2tmd s ARG 679 Ca 0.71 -1.67 -0.18 0.00 -0.47 0.00 0.00 55.73 54.12 2tmd s ARG 679 Cb -0.72 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.14 2tmd s ARG 679 CO 0.49 -0.87 1.22 -0.51 -1.08 0.00 0.00 175.30 174.56 2tmd s LEU 680 N -3.19 3.62 0.45 -1.89 1.43 -1.26 -4.80 118.68 113.04 2tmd s LEU 680 Ca 0.26 2.42 0.19 0.00 -1.03 0.00 0.00 54.13 55.97 2tmd s LEU 680 Cb -0.02 -4.60 1.16 0.00 0.03 0.00 0.00 46.19 42.76 2tmd s LEU 680 CO 0.18 -1.71 1.92 0.40 0.23 0.00 0.00 176.35 177.37 2tmd h ILE 681 N 0.73 0.75 -0.57 -0.59 2.04 -1.99 -0.09 117.51 117.79 2tmd h ILE 681 Ca -0.50 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 2tmd h ILE 681 Cb 1.30 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2tmd h ILE 681 CO 0.54 0.06 -0.00 0.00 0.00 0.00 0.00 178.15 178.74 2tmd h ALA 682 N 1.65 0.91 0.00 1.87 0.00 -1.89 -0.46 119.26 121.34 2tmd h ALA 682 Ca 0.36 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2tmd h ALA 682 Cb 0.98 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2tmd h ALA 682 CO -0.09 0.65 -1.10 -0.44 0.00 0.00 0.00 179.25 178.26 2tmd h ASP 683 N 0.91 0.00 -0.36 0.00 3.32 -1.44 -2.13 116.42 116.71 2tmd h ASP 683 Ca 0.16 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.22 2tmd h ASP 683 Cb 0.54 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2tmd h ASP 683 CO 0.03 0.79 0.23 0.00 -1.72 0.00 0.00 179.24 178.56 2tmd h ALA 684 N 1.21 0.45 -0.99 3.45 0.00 -0.63 -1.13 119.26 121.62 2tmd h ALA 684 Ca -0.09 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2tmd h ALA 684 Cb 1.68 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 2tmd h ALA 684 CO 0.09 -0.11 0.64 1.15 0.00 0.00 0.00 179.25 181.03 2tmd h THR 685 N 0.46 1.16 -0.64 0.00 2.02 -1.09 -2.33 112.91 112.49 2tmd h THR 685 Ca 0.14 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 2tmd h THR 685 Cb -0.03 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.17 2tmd h THR 685 CO -0.04 0.23 0.06 0.15 0.37 0.00 0.00 175.52 176.28 2tmd h PHE 686 N 1.24 1.16 -0.48 3.16 3.57 -0.89 -1.56 116.94 123.15 2tmd h PHE 686 Ca 0.40 -0.18 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 2tmd h PHE 686 Cb 0.02 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 2tmd h PHE 686 CO -0.00 0.99 0.04 1.79 -2.23 0.00 0.00 178.31 178.90 2tmd h THR 687 N 1.00 1.26 -0.54 4.41 1.35 -0.67 0.14 112.91 119.86 2tmd h THR 687 Ca 0.19 -0.99 0.01 0.00 -0.55 0.00 0.00 66.41 65.08 2tmd h THR 687 Cb 0.49 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 67.85 2tmd h THR 687 CO 0.02 0.35 0.35 1.23 -0.25 0.00 0.00 175.52 177.21 2tmd h GLY 688 N 0.67 0.76 0.82 5.82 0.00 -1.46 -0.51 103.07 109.18 2tmd h GLY 688 Ca 0.14 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.25 2tmd h GLY 688 CO 0.02 0.25 0.65 0.84 0.00 0.00 0.00 176.54 178.29 2tmd h HIS 689 N 0.70 1.21 -0.03 5.60 6.17 -0.96 -2.76 115.15 125.07 2tmd h HIS 689 Ca 0.21 0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.20 2tmd h HIS 689 Cb -0.04 -0.40 0.01 0.00 2.52 0.00 0.00 27.41 29.50 2tmd h HIS 689 CO -0.05 0.67 -0.44 -0.09 0.71 0.00 0.00 177.93 178.73 2tmd h ARG 690 N 1.22 0.36 -0.59 5.26 2.43 0.52 -2.13 114.38 121.46 2tmd h ARG 690 Ca 0.41 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2tmd h ARG 690 Cb 0.06 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2tmd h ARG 690 CO -0.14 1.01 0.18 -0.39 -1.51 0.00 0.00 179.97 179.12 2tmd h VAL 691 N -0.16 1.23 -0.31 0.20 -1.51 -1.18 -0.39 116.25 114.12 2tmd h VAL 691 Ca -0.05 -0.78 0.03 0.00 -1.23 0.00 0.00 66.70 64.67 2tmd h VAL 691 Cb 1.13 0.58 -0.03 0.00 -2.13 0.00 0.00 31.29 30.85 2tmd h VAL 691 CO 0.09 0.30 0.13 0.00 -1.23 0.00 0.00 177.57 176.86 2tmd h ALA 692 N 1.34 0.37 0.00 5.19 0.00 -1.47 0.17 119.26 124.85 2tmd h ALA 692 Ca 0.19 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2tmd h ALA 692 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2tmd h ALA 692 CO -0.01 -0.26 -0.25 0.00 0.00 0.00 0.00 179.25 178.73 2tmd h ARG 693 N 0.28 0.00 -0.05 0.00 2.47 -0.78 -3.10 114.38 113.20 2tmd h ARG 693 Ca 0.14 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 2tmd h ARG 693 Cb 0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2tmd h ARG 693 CO -0.12 0.25 -0.19 0.39 0.56 0.00 0.00 179.97 180.87 2tmd n GLU 694 N -3.59 1.57 0.28 0.04 1.02 -0.21 -4.72 120.64 115.02 2tmd n GLU 694 Ca -0.01 -2.91 0.17 0.00 -0.02 0.00 0.00 57.16 54.39 2tmd n GLU 694 Cb 0.39 -1.60 0.75 0.00 -0.02 0.00 0.00 31.44 30.96 2tmd n GLU 694 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2tmd h ILE 695 N 0.59 0.12 -0.48 -3.67 2.10 -0.61 -1.06 117.51 114.50 2tmd h ILE 695 Ca 0.02 -0.51 0.00 0.00 1.08 0.00 0.00 64.86 65.45 2tmd h ILE 695 Cb 1.09 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 38.27 2tmd h ILE 695 CO 0.05 0.04 0.00 -0.62 -1.08 0.00 0.00 178.15 176.54 2tmd n GLU 696 N -3.18 2.16 -2.28 2.19 -0.58 -1.26 -4.82 120.64 112.88 2tmd n GLU 696 Ca -0.00 -1.80 -0.26 0.00 -0.42 0.00 0.00 57.16 54.67 2tmd n GLU 696 Cb 0.28 -1.40 0.05 0.00 -0.57 0.00 0.00 31.44 29.79 2tmd n GLU 696 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2tmd s GLU 697 N -1.36 2.60 0.19 3.49 0.41 -0.40 -4.98 118.70 118.64 2tmd s GLU 697 Ca 0.34 -0.09 -0.12 0.00 -0.41 0.00 0.00 54.97 54.69 2tmd s GLU 697 Cb 0.18 -2.21 0.14 0.00 -1.78 0.00 0.00 34.13 30.46 2tmd s GLU 697 CO 0.24 -0.95 1.81 0.00 -0.49 0.00 0.00 175.26 175.86 2tmd h ALA 698 N -0.39 0.71 -2.66 5.21 0.00 -1.92 -3.33 119.26 116.88 2tmd h ALA 698 Ca -0.45 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.87 2tmd h ALA 698 Cb 1.28 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.55 2tmd h ALA 698 CO 0.61 0.00 -0.84 1.21 0.00 0.00 0.00 179.25 180.23 2tmd s ASN 699 N -5.57 2.80 0.09 0.00 2.47 -1.26 -4.99 114.94 108.48 2tmd s ASN 699 Ca -0.13 -2.77 0.06 0.00 0.42 0.00 0.00 52.86 50.44 2tmd s ASN 699 Cb 0.14 -0.70 0.32 0.00 -1.45 0.00 0.00 41.25 39.56 2tmd s ASN 699 CO 0.74 -0.23 1.15 -2.65 -3.72 0.00 0.00 177.10 172.40 2tmd n PRO 700 N 3.29 0.04 0.15 0.43 -0.02 -1.25 -1.82 135.00 135.82 2tmd n PRO 700 Ca 0.18 0.52 0.01 0.00 -2.02 0.00 0.00 63.50 62.18 2tmd n PRO 700 Cb 0.40 -1.66 0.23 0.00 -0.02 0.00 0.00 33.50 32.45 2tmd n PRO 700 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2tmd h GLN 701 N 0.00 0.00 -5.25 -0.52 5.75 -1.94 -3.43 115.11 109.73 2tmd h GLN 701 Ca 0.00 0.00 -0.66 0.00 -0.15 0.00 0.00 58.65 57.84 2tmd h GLN 701 Cb 0.06 0.00 -0.33 0.00 1.07 0.00 0.00 27.48 28.28 2tmd h GLN 701 CO 0.00 0.54 -0.87 0.42 -2.65 0.00 0.00 178.83 176.26 2tmd s ILE 702 N -3.70 1.96 0.54 2.39 1.09 -0.76 -5.03 121.20 117.70 2tmd s ILE 702 Ca -0.01 -0.96 -0.21 0.00 -1.10 0.00 0.00 60.65 58.37 2tmd s ILE 702 Cb 0.13 -1.71 -0.06 0.00 -1.06 0.00 0.00 42.46 39.76 2tmd s ILE 702 CO 0.74 0.54 1.09 0.00 -0.10 0.00 0.00 174.94 177.21 2tmd n ALA 703 N 3.60 0.60 -2.00 9.38 0.00 -1.26 -4.83 120.51 125.99 2tmd n ALA 703 Ca -0.19 0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 2tmd n ALA 703 Cb 0.53 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 2tmd n ALA 703 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2tmd s ILE 704 N -1.39 4.65 0.47 0.00 -4.36 -1.26 -5.01 121.20 114.30 2tmd s ILE 704 Ca 0.71 0.94 -0.23 0.00 -0.26 0.00 0.00 60.65 61.81 2tmd s ILE 704 Cb -0.45 -3.73 -0.09 0.00 1.25 0.00 0.00 42.46 39.44 2tmd s ILE 704 CO 0.50 -0.62 1.06 -2.65 0.24 0.00 0.00 174.94 173.47 2tmd n PRO 705 N -1.48 1.38 -3.79 0.37 -0.02 -1.26 -5.03 135.00 125.17 2tmd n PRO 705 Ca 0.05 0.50 -0.20 0.00 -2.02 0.00 0.00 63.50 61.82 2tmd n PRO 705 Cb 0.54 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 2tmd n PRO 705 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2tmd s TYR 706 N -1.32 3.15 0.22 6.00 -0.85 -1.26 -4.96 117.35 118.33 2tmd s TYR 706 Ca 0.66 -0.17 -0.31 0.00 -0.52 0.00 0.00 57.07 56.73 2tmd s TYR 706 Cb -0.51 -1.74 -0.10 0.00 0.38 0.00 0.00 41.96 39.99 2tmd s TYR 706 CO 0.55 0.24 1.49 0.15 -1.52 0.00 0.00 175.55 176.46 2tmd s LYS 707 N -4.03 4.24 -0.09 -3.49 1.02 0.72 -5.01 119.74 113.11 2tmd s LYS 707 Ca 0.39 2.33 -0.06 0.00 0.02 0.00 0.00 55.97 58.66 2tmd s LYS 707 Cb -0.08 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 2tmd s LYS 707 CO 0.28 -0.49 0.14 1.03 -0.92 0.00 0.00 175.35 175.38 2tmd s ARG 708 N 0.13 3.39 -0.77 1.68 0.52 -1.26 -4.65 118.95 117.99 2tmd s ARG 708 Ca 0.63 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.67 2tmd s ARG 708 Cb -0.43 -3.13 0.28 0.00 0.52 0.00 0.00 34.95 32.20 2tmd s ARG 708 CO 0.39 0.75 1.04 0.39 0.02 0.00 0.00 175.30 177.90 2tmd n GLU 709 N 1.77 3.35 -4.38 3.54 1.02 -1.26 -5.00 120.64 119.67 2tmd n GLU 709 Ca -0.18 -4.68 -0.29 0.00 -0.02 0.00 0.00 57.16 51.99 2tmd n GLU 709 Cb 0.54 -2.33 -0.13 0.00 -0.02 0.00 0.00 31.44 29.50 2tmd n GLU 709 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2tmd s THR 710 N -3.01 2.34 0.53 2.62 2.01 -1.26 -4.83 115.64 114.03 2tmd s THR 710 Ca 0.39 -1.72 -0.22 0.00 0.31 0.00 0.00 61.69 60.44 2tmd s THR 710 Cb 0.15 -2.04 -0.06 0.00 0.01 0.00 0.00 72.50 70.56 2tmd s THR 710 CO -0.01 0.09 1.37 0.00 -0.69 0.00 0.00 174.62 175.39 2tmd n ILE 711 N 0.90 3.61 -3.57 1.82 3.06 -1.26 -4.99 119.36 118.93 2tmd n ILE 711 Ca -0.18 -0.50 -0.39 0.00 -2.50 0.00 0.00 62.75 59.18 2tmd n ILE 711 Cb 0.53 -1.70 -0.11 0.00 0.54 0.00 0.00 39.64 38.90 2tmd n ILE 711 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2tmd s ALA 712 N -1.27 3.49 -0.10 1.51 0.00 -1.26 -5.04 121.76 119.09 2tmd s ALA 712 Ca 0.69 -1.27 -0.37 0.00 0.00 0.00 0.00 51.96 51.01 2tmd s ALA 712 Cb -0.42 -2.56 -0.15 0.00 0.00 0.00 0.00 23.12 19.99 2tmd s ALA 712 CO 0.51 -0.79 1.65 1.87 0.00 0.00 0.00 175.76 178.99 2tmd n TRP 713 N 5.07 1.99 0.00 0.00 -0.00 -1.26 -1.53 117.44 121.72 2tmd n TRP 713 Ca -0.13 0.42 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 2tmd n TRP 713 Cb 0.51 -2.48 0.00 0.00 -0.00 0.00 0.00 31.31 29.34 2tmd n TRP 713 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2tmd n GLY 714 N 3.71 1.40 3.05 5.87 0.00 -1.26 -5.07 105.19 112.89 2tmd n GLY 714 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2tmd n GLY 714 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2tmd s THR 715 N -2.02 2.10 0.35 2.61 2.01 -0.58 -4.92 115.64 115.19 2tmd s THR 715 Ca 0.00 -1.63 -0.26 0.00 0.31 0.00 0.00 61.69 60.10 2tmd s THR 715 Cb 0.00 -2.25 -0.09 0.00 0.01 0.00 0.00 72.50 70.17 2tmd s THR 715 CO 0.00 -0.07 1.08 -2.16 -0.69 0.00 0.00 174.62 172.77 2tmd s PRO 716 N 1.12 4.36 0.13 4.92 0.04 -1.26 -4.73 135.00 139.59 2tmd s PRO 716 Ca -0.07 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.50 2tmd s PRO 716 Cb -0.20 -2.84 -0.02 0.00 0.04 0.00 0.00 34.50 31.48 2tmd s PRO 716 CO -0.05 0.00 1.52 1.25 0.04 0.00 0.00 177.00 179.76 2tmd h HIS 717 N 3.09 0.95 -2.68 0.56 2.76 -1.96 -3.41 115.15 114.46 2tmd h HIS 717 Ca -0.48 -0.22 -0.55 0.00 -2.20 0.00 0.00 60.37 56.92 2tmd h HIS 717 Cb 1.22 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 2tmd h HIS 717 CO 0.58 0.98 1.03 1.41 -1.30 0.00 0.00 177.93 180.63 2tmd s MET 718 N -4.70 4.20 -0.07 5.26 -2.45 -1.26 -4.30 119.30 115.98 2tmd s MET 718 Ca -0.12 2.11 -0.29 0.00 -1.25 0.00 0.00 55.69 56.13 2tmd s MET 718 Cb 0.11 -3.89 -0.07 0.00 1.25 0.00 0.00 34.83 32.22 2tmd s MET 718 CO 0.83 -0.80 2.08 -2.30 1.05 0.00 0.00 175.02 175.89 2tmd n PRO 719 N 6.80 2.48 -0.48 4.11 -0.02 -1.26 -1.73 135.00 144.91 2tmd n PRO 719 Ca 0.16 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2tmd n PRO 719 Cb 0.43 -3.10 0.00 0.00 -0.02 0.00 0.00 33.50 30.80 2tmd n PRO 719 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2tmd n GLY 720 N 5.07 0.75 3.94 -1.23 0.00 -1.26 -5.05 105.19 107.42 2tmd n GLY 720 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 2tmd n GLY 720 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2tmd s GLY 721 N -1.84 1.76 -0.15 -0.02 0.00 -0.70 -5.07 107.32 101.30 2tmd s GLY 721 Ca 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 44.72 43.40 2tmd s GLY 721 CO 0.00 -0.58 0.04 0.21 0.00 0.00 0.00 173.10 172.78 2tmd s ASN 722 N -4.81 5.53 0.02 1.64 3.84 -1.26 -4.80 114.94 115.10 2tmd s ASN 722 Ca 0.71 0.12 0.22 0.00 0.21 0.00 0.00 52.86 54.11 2tmd s ASN 722 Cb -0.05 -1.84 -0.12 0.00 -0.55 0.00 0.00 41.25 38.68 2tmd s ASN 722 CO 0.50 0.25 0.86 2.22 -2.79 0.00 0.00 177.10 178.14 2tmd n PHE 723 N 3.03 0.13 -2.36 0.43 -1.74 -1.26 -4.95 117.46 110.74 2tmd n PHE 723 Ca -0.18 0.04 -0.34 0.00 -0.56 0.00 0.00 57.45 56.41 2tmd n PHE 723 Cb 0.53 -0.34 -0.01 0.00 1.52 0.00 0.00 39.48 41.18 2tmd n PHE 723 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 2tmd s LYS 724 N -3.22 3.53 0.15 3.97 1.02 -1.26 -4.94 119.74 118.99 2tmd s LYS 724 Ca 0.02 1.46 -0.34 0.00 0.02 0.00 0.00 55.97 57.13 2tmd s LYS 724 Cb 0.15 -2.05 -0.14 0.00 -0.52 0.00 0.00 37.83 35.27 2tmd s LYS 724 CO 0.85 -0.67 1.57 -0.89 -0.92 0.00 0.00 175.35 175.29 2tmd n ILE 725 N -1.24 0.02 -3.67 2.17 5.41 -1.26 -4.98 119.36 115.81 2tmd n ILE 725 Ca 0.10 -0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.61 2tmd n ILE 725 Cb 0.52 -1.50 -0.17 0.00 -0.71 0.00 0.00 39.64 37.77 2tmd n ILE 725 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2tmd s GLU 726 N 1.00 0.19 0.12 0.38 2.02 -1.26 -5.14 118.70 116.00 2tmd s GLU 726 Ca 0.80 0.05 -0.20 0.00 0.02 0.00 0.00 54.97 55.64 2tmd s GLU 726 Cb -0.70 -1.30 -0.07 0.00 0.10 0.00 0.00 34.13 32.16 2tmd s GLU 726 CO 0.39 -0.50 0.62 0.71 0.02 0.00 0.00 175.26 176.50 2tmd s TYR 727 N 2.08 3.78 -0.94 1.61 2.02 -1.26 -5.01 117.35 119.63 2tmd s TYR 727 Ca 0.03 1.32 -0.19 0.00 -0.37 0.00 0.00 57.07 57.86 2tmd s TYR 727 Cb -0.14 -2.54 0.13 0.00 -0.40 0.00 0.00 41.96 39.01 2tmd s TYR 727 CO -0.06 0.53 1.15 0.15 -1.57 0.00 0.00 175.55 175.74 2tmd s LYS 728 N -1.33 3.61 0.00 -0.62 1.02 -1.26 -5.33 119.74 115.83 2tmd s LYS 728 Ca 0.33 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.58 2tmd s LYS 728 Cb -0.19 -4.94 0.00 0.00 -0.52 0.00 0.00 37.83 32.18 2tmd s LYS 728 CO 0.20 -1.80 0.43 1.33 -0.92 0.00 0.00 175.35 174.60