#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1n n ALA 0 N 0.00 0.00 -2.96 5.20 0.00 -1.26 -5.19 120.51 116.31 2h1n n ALA 0 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2h1n n ALA 0 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2h1n n ALA 0 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2h1n s LYS 2 N 0.00 0.91 0.15 0.00 1.02 -1.26 -4.86 119.74 115.69 2h1n s LYS 2 Ca 0.00 -0.61 -0.16 0.00 0.02 0.00 0.00 55.97 55.22 2h1n s LYS 2 Cb 0.00 0.39 0.01 0.00 -0.52 0.00 0.00 37.83 37.71 2h1n s LYS 2 CO 0.00 -0.31 1.80 0.35 -0.92 0.00 0.00 175.35 176.27 2h1n h PHE 3 N 2.87 0.50 0.00 3.18 3.57 -1.41 -1.50 116.94 124.15 2h1n h PHE 3 Ca -0.33 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.18 2h1n h PHE 3 Cb 1.22 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2h1n h PHE 3 CO 0.40 0.33 0.01 -1.13 -2.23 0.00 0.00 178.31 175.69 2h1n n SER 4 N -4.80 0.00 -0.33 0.41 3.41 -1.26 -0.80 113.62 110.25 2h1n n SER 4 Ca 0.00 0.46 0.11 0.00 -0.26 0.00 0.00 58.87 59.19 2h1n n SER 4 Cb 0.03 -0.46 0.04 0.00 -0.26 0.00 0.00 64.21 63.56 2h1n n SER 4 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2h1n n GLU 5 N -1.46 0.84 -1.83 4.33 1.02 -0.57 -4.95 120.64 118.03 2h1n n GLU 5 Ca 0.00 -0.67 -0.42 0.00 -0.02 0.00 0.00 57.16 56.05 2h1n n GLU 5 Cb 0.01 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 2h1n n GLU 5 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2h1n s PHE 6 N -2.62 2.42 -0.13 -0.32 2.99 0.02 -4.91 117.98 115.44 2h1n s PHE 6 Ca 0.17 0.22 -0.29 0.00 0.00 0.00 0.00 56.93 57.03 2h1n s PHE 6 Cb 0.18 -4.06 -0.04 0.00 0.00 0.00 0.00 43.02 39.10 2h1n s PHE 6 CO 0.63 -4.24 1.57 1.03 -0.00 0.00 0.00 175.22 174.22 2h1n s ARG 7 N 2.40 4.05 -0.16 0.44 0.52 -1.26 -5.01 118.95 119.93 2h1n s ARG 7 Ca 0.76 1.92 -0.16 0.00 -0.52 0.00 0.00 55.73 57.73 2h1n s ARG 7 Cb -0.43 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.03 2h1n s ARG 7 CO 0.34 -0.98 0.41 -0.47 0.02 0.00 0.00 175.30 174.61 2h1n s TYR 8 N 4.36 3.44 -0.02 -0.53 5.04 -1.26 -5.08 117.35 123.30 2h1n s TYR 8 Ca 0.70 0.71 0.01 0.00 -2.44 0.00 0.00 57.07 56.05 2h1n s TYR 8 Cb -0.28 -2.50 0.01 0.00 0.35 0.00 0.00 41.96 39.54 2h1n s TYR 8 CO 0.27 0.11 -0.02 -1.21 -1.34 0.00 0.00 175.55 173.35 2h1n s GLU 9 N 0.89 0.37 0.14 4.97 2.02 -1.26 -5.12 118.70 120.71 2h1n s GLU 9 Ca 0.21 -0.05 -0.31 0.00 0.02 0.00 0.00 54.97 54.84 2h1n s GLU 9 Cb -0.14 -0.43 -0.10 0.00 0.10 0.00 0.00 34.13 33.55 2h1n s GLU 9 CO 0.08 -0.02 1.65 0.50 0.02 0.00 0.00 175.26 177.49 2h1n s ARG 10 N 0.46 4.18 0.60 1.61 3.52 -1.26 -4.96 118.95 123.10 2h1n s ARG 10 Ca -0.05 2.43 -0.20 0.00 -0.13 0.00 0.00 55.73 57.79 2h1n s ARG 10 Cb -0.08 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 2h1n s ARG 10 CO -0.01 -0.70 1.31 -2.14 -0.81 0.00 0.00 175.30 172.96 2h1n s PRO 11 N 1.74 2.82 -0.42 5.12 0.02 -1.26 -4.98 135.00 138.03 2h1n s PRO 11 Ca 0.73 2.11 -0.19 0.00 0.02 0.00 0.00 61.00 63.66 2h1n s PRO 11 Cb -0.44 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.09 2h1n s PRO 11 CO 0.32 -1.40 0.57 0.34 -0.33 0.00 0.00 177.00 176.50 2h1n s ASP 12 N -1.24 6.29 0.10 2.53 -1.08 -1.26 -4.97 116.67 117.03 2h1n s ASP 12 Ca 0.78 -0.41 -0.20 0.00 -0.52 0.00 0.00 52.55 52.20 2h1n s ASP 12 Cb -0.38 -2.29 -0.08 0.00 -1.46 0.00 0.00 42.92 38.71 2h1n s ASP 12 CO 0.42 -0.69 1.67 0.40 0.52 0.00 0.00 175.17 177.49 2h1n h ILE 13 N 5.81 1.14 -0.77 4.11 1.08 -1.99 -1.20 117.51 125.69 2h1n h ILE 13 Ca -0.26 -0.39 0.04 0.00 -0.39 0.00 0.00 64.86 63.86 2h1n h ILE 13 Cb 1.10 1.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.82 2h1n h ILE 13 CO 0.85 0.13 0.48 0.00 -0.69 0.00 0.00 178.15 178.92 2h1n h ALA 14 N 0.96 1.01 -0.29 1.87 0.00 -1.99 0.16 119.26 120.98 2h1n h ALA 14 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2h1n h ALA 14 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2h1n h ALA 14 CO -0.01 0.26 0.17 0.37 0.00 0.00 0.00 179.25 180.04 2h1n h GLN 15 N 0.92 0.40 -0.83 0.00 5.75 -1.93 -1.55 115.11 117.87 2h1n h GLN 15 Ca 0.31 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.80 2h1n h GLN 15 Cb 0.05 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.47 2h1n h GLN 15 CO -0.13 0.32 0.53 1.25 -2.65 0.00 0.00 178.83 178.16 2h1n h LEU 16 N 0.37 0.90 -0.28 -2.39 5.85 -0.41 -1.06 115.31 118.27 2h1n h LEU 16 Ca 0.10 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2h1n h LEU 16 Cb 0.03 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2h1n h LEU 16 CO -0.02 0.63 -0.04 1.56 -0.34 0.00 0.00 178.44 180.23 2h1n h GLN 17 N 1.05 0.53 -0.23 1.25 4.20 -0.84 0.35 115.11 121.43 2h1n h GLN 17 Ca 0.32 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.87 2h1n h GLN 17 Cb -0.03 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2h1n h GLN 17 CO -0.10 0.71 0.07 0.00 -0.67 0.00 0.00 178.83 178.84 2h1n h ALA 18 N 0.80 0.25 -0.22 3.87 0.00 -0.97 -0.22 119.26 122.76 2h1n h ALA 18 Ca 0.08 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2h1n h ALA 18 Cb 0.50 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2h1n h ALA 18 CO 0.02 -0.35 -0.46 0.77 0.00 0.00 0.00 179.25 179.24 2h1n h SER 19 N 0.17 0.61 -0.15 0.00 0.02 -1.13 -2.11 113.55 110.95 2h1n h SER 19 Ca 0.10 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2h1n h SER 19 Cb 0.07 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2h1n h SER 19 CO -0.11 0.98 -0.01 0.15 -1.14 0.00 0.00 176.83 176.70 2h1n h PHE 20 N 0.46 0.31 -0.17 3.45 3.57 -0.66 -2.05 116.94 121.84 2h1n h PHE 20 Ca 0.03 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 2h1n h PHE 20 Cb 0.98 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 2h1n h PHE 20 CO 0.04 0.52 -0.35 1.96 -2.23 0.00 0.00 178.31 178.25 2h1n h GLN 21 N 0.01 0.35 -0.80 1.11 1.08 -0.98 -0.87 115.11 115.00 2h1n h GLN 21 Ca 0.04 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 2h1n h GLN 21 Cb 0.40 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 2h1n h GLN 21 CO 0.01 0.66 0.43 1.49 -0.95 0.00 0.00 178.83 180.47 2h1n h GLU 22 N 0.30 1.12 -0.20 1.46 4.81 -1.29 0.11 114.58 120.89 2h1n h GLU 22 Ca 0.03 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 58.96 2h1n h GLU 22 Cb 0.76 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2h1n h GLU 22 CO 0.06 0.83 -0.55 0.00 -0.73 0.00 0.00 179.01 178.62 2h1n h ALA 23 N 1.23 0.65 -0.15 2.92 0.00 -0.97 -2.45 119.26 120.48 2h1n h ALA 23 Ca 0.28 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2h1n h ALA 23 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2h1n h ALA 23 CO -0.04 0.69 -0.40 1.25 0.00 0.00 0.00 179.25 180.75 2h1n h LEU 24 N 0.47 0.36 -0.63 0.00 5.85 -0.92 -0.90 115.31 119.54 2h1n h LEU 24 Ca 0.01 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2h1n h LEU 24 Cb 1.11 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2h1n h LEU 24 CO 0.11 0.72 0.32 -0.78 -0.34 0.00 0.00 178.44 178.47 2h1n h ASP 25 N 0.29 0.81 -0.43 1.25 3.58 -0.60 -0.75 116.42 120.56 2h1n h ASP 25 Ca 0.03 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 2h1n h ASP 25 Cb 0.83 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 2h1n h ASP 25 CO 0.07 0.69 0.17 0.28 -2.88 0.00 0.00 179.24 177.57 2h1n h SER 26 N 0.86 0.59 0.23 2.28 0.02 -0.97 0.60 113.55 117.15 2h1n h SER 26 Ca 0.22 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2h1n h SER 26 Cb 0.09 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2h1n h SER 26 CO -0.03 0.60 -0.20 0.15 -1.14 0.00 0.00 176.83 176.21 2h1n h PHE 27 N 0.55 -0.53 -0.48 3.45 3.57 -0.92 0.14 116.94 122.72 2h1n h PHE 27 Ca 0.14 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 2h1n h PHE 27 Cb 0.20 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 2h1n h PHE 27 CO 0.00 -0.31 0.11 -0.09 -2.23 0.00 0.00 178.31 175.80 2h1n h ARG 28 N -0.46 0.72 0.00 1.11 2.43 -1.09 -2.89 114.38 114.20 2h1n h ARG 28 Ca -0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2h1n h ARG 28 Cb 0.41 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2h1n h ARG 28 CO -0.03 0.66 -0.14 0.54 -1.51 0.00 0.00 179.97 179.49 2h1n n ARG 29 N -4.29 0.11 -1.68 0.20 1.74 0.20 -4.96 116.66 107.96 2h1n n ARG 29 Ca 0.03 0.07 -0.45 0.00 -0.77 0.00 0.00 57.85 56.73 2h1n n ARG 29 Cb 0.21 -1.61 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 2h1n n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2h1n n ALA 30 N -1.62 1.75 1.57 7.54 0.00 0.46 -4.90 120.51 125.31 2h1n n ALA 30 Ca 0.06 0.42 0.15 0.00 0.00 0.00 0.00 53.44 54.07 2h1n n ALA 30 Cb 0.38 -2.41 0.66 0.00 0.00 0.00 0.00 19.45 18.07 2h1n n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1n n GLY 31 N 3.64 -0.69 3.21 0.00 0.00 -1.26 -4.91 105.19 105.17 2h1n n GLY 31 Ca 0.17 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2h1n n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h1n s SER 32 N -2.23 0.22 0.18 1.61 1.04 -1.26 -5.04 113.70 108.22 2h1n s SER 32 Ca 0.36 -0.95 -0.10 0.00 0.48 0.00 0.00 55.95 55.74 2h1n s SER 32 Cb 0.21 0.33 0.08 0.00 0.10 0.00 0.00 66.02 66.74 2h1n s SER 32 CO 0.41 -0.76 1.68 0.00 0.98 0.00 0.00 173.24 175.56 2h1n h ALA 33 N 2.79 0.84 -0.91 5.32 0.00 -1.95 -2.78 119.26 122.58 2h1n h ALA 33 Ca -0.34 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.35 2h1n h ALA 33 Cb 1.20 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 2h1n h ALA 33 CO 0.56 0.58 0.60 0.00 0.00 0.00 0.00 179.25 180.99 2h1n h ALA 34 N 1.04 1.19 -0.34 0.00 0.00 -1.99 -0.80 119.26 118.37 2h1n h ALA 34 Ca 0.20 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2h1n h ALA 34 Cb 0.40 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2h1n h ALA 34 CO 0.01 0.49 -0.37 -0.07 0.00 0.00 0.00 179.25 179.30 2h1n h LEU 35 N 1.18 0.85 -1.36 0.00 3.38 -1.94 -2.54 115.31 114.87 2h1n h LEU 35 Ca 0.35 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2h1n h LEU 35 Cb -0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2h1n h LEU 35 CO -0.10 1.13 0.45 1.56 0.09 0.00 0.00 178.44 181.56 2h1n h GLN 36 N 0.66 0.83 -0.49 1.13 4.20 -1.18 -2.53 115.11 117.74 2h1n h GLN 36 Ca 0.06 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.78 2h1n h GLN 36 Cb 0.93 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 2h1n h GLN 36 CO 0.09 0.55 0.19 1.25 -0.67 0.00 0.00 178.83 180.24 2h1n h HIS 37 N 0.86 0.34 -0.69 2.96 2.76 -0.75 -2.78 115.15 117.84 2h1n h HIS 37 Ca 0.26 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 2h1n h HIS 37 Cb -0.01 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 2h1n h HIS 37 CO -0.00 0.13 0.35 0.93 -1.30 0.00 0.00 177.93 178.04 2h1n h GLU 38 N 0.38 0.99 -1.52 5.26 4.39 -1.14 -1.27 114.58 121.67 2h1n h GLU 38 Ca 0.23 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2h1n h GLU 38 Cb 0.22 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2h1n h GLU 38 CO -0.22 0.77 0.00 0.00 -1.16 0.00 0.00 179.01 178.40 2h1n n ALA 39 N -2.36 1.47 0.00 3.43 0.00 -1.04 -1.80 120.51 120.22 2h1n n ALA 39 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2h1n n ALA 39 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2h1n n ALA 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2h1n n LYS 41 N 0.85 0.00 -0.27 0.00 5.02 -0.48 -0.93 118.16 122.35 2h1n n LYS 41 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 2h1n n LYS 41 Cb 0.03 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.10 2h1n n LYS 41 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2h1n h ARG 42 N 0.00 1.12 -0.10 1.97 1.12 -1.63 0.74 114.38 117.61 2h1n h ARG 42 Ca 0.00 -0.21 -0.04 0.00 -1.11 0.00 0.00 59.98 58.62 2h1n h ARG 42 Cb 0.00 -0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 29.78 2h1n h ARG 42 CO 0.00 0.92 -0.08 0.82 -3.11 0.00 0.00 179.97 178.53 2h1n h ILE 43 N 1.08 1.35 -0.40 1.20 2.04 -1.31 -2.13 117.51 119.34 2h1n h ILE 43 Ca 0.25 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 2h1n h ILE 43 Cb 0.23 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 2h1n h ILE 43 CO -0.02 0.34 0.01 0.78 0.00 0.00 0.00 178.15 179.25 2h1n h ASN 44 N -0.16 0.60 0.07 1.72 2.35 -1.79 -1.00 115.58 117.37 2h1n h ASN 44 Ca 0.02 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2h1n h ASN 44 Cb 0.57 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2h1n h ASN 44 CO 0.02 0.66 -0.06 -0.08 -1.65 0.00 0.00 177.43 176.32 2h1n h GLU 45 N 0.60 -0.14 -0.78 0.81 4.81 -0.80 -1.28 114.58 117.79 2h1n h GLU 45 Ca 0.13 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2h1n h GLU 45 Cb 0.37 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 2h1n h GLU 45 CO 0.01 -0.09 0.49 -0.07 -0.73 0.00 0.00 179.01 178.62 2h1n h LEU 46 N -0.14 0.92 -0.39 1.64 3.38 -0.82 -2.20 115.31 117.69 2h1n h LEU 46 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2h1n h LEU 46 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2h1n h LEU 46 CO -0.01 0.70 0.18 0.03 0.09 0.00 0.00 178.44 179.42 2h1n h ARG 47 N 1.07 0.58 -0.77 1.13 3.08 -1.01 -2.74 114.38 115.71 2h1n h ARG 47 Ca 0.28 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 2h1n h ARG 47 Cb -0.07 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 2h1n h ARG 47 CO -0.06 0.52 0.33 0.00 -1.07 0.00 0.00 179.97 179.69 2h1n h ARG 48 N 0.49 1.15 -0.51 0.04 3.08 -0.99 -0.32 114.38 117.33 2h1n h ARG 48 Ca 0.13 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 60.02 2h1n h ARG 48 Cb 0.15 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 2h1n h ARG 48 CO -0.01 0.92 0.27 -0.09 -1.07 0.00 0.00 179.97 179.99 2h1n h ARG 49 N 1.11 0.52 0.06 0.04 2.43 -1.28 0.45 114.38 117.71 2h1n h ARG 49 Ca 0.26 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2h1n h ARG 49 Cb 0.19 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2h1n h ARG 49 CO -0.02 0.34 -0.03 -0.92 -1.51 0.00 0.00 179.97 177.83 2h1n h TYR 50 N 0.53 -0.08 0.00 2.20 3.20 -1.17 -3.10 116.97 118.56 2h1n h TYR 50 Ca 0.22 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 2h1n h TYR 50 Cb 0.09 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2h1n h TYR 50 CO -0.09 0.29 -0.14 0.66 -1.64 0.00 0.00 178.16 177.24 2h1n h SER 51 N -0.46 0.00 0.00 -2.11 4.64 -0.96 -1.02 113.55 113.65 2h1n h SER 51 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2h1n h SER 51 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2h1n h SER 51 CO 0.01 0.14 0.00 0.41 -0.87 0.00 0.00 176.83 176.53 2h1n n THR 52 N -3.67 0.00 0.00 2.95 -1.04 0.14 -1.38 114.28 111.27 2h1n n THR 52 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2h1n n THR 52 Cb 0.26 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 2h1n n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2h1n n ALA 54 N 0.00 0.00 -0.06 2.41 0.00 -0.39 -1.01 120.51 121.46 2h1n n ALA 54 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2h1n n ALA 54 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 2h1n n ALA 54 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2h1n h ASN 55 N 0.00 0.87 -0.97 0.00 4.21 -1.49 0.50 115.58 118.69 2h1n h ASN 55 Ca 0.00 -0.56 0.09 0.00 1.21 0.00 0.00 56.30 57.05 2h1n h ASN 55 Cb 0.00 -0.25 -0.08 0.00 -1.12 0.00 0.00 38.32 36.87 2h1n h ASN 55 CO 0.00 1.26 0.61 0.25 -1.29 0.00 0.00 177.43 178.27 2h1n h LEU 56 N 0.51 0.93 -0.02 1.61 6.46 -1.30 -0.79 115.31 122.71 2h1n h LEU 56 Ca 0.00 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 2h1n h LEU 56 Cb 1.14 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2h1n h LEU 56 CO 0.12 0.54 -0.21 0.00 -0.62 0.00 0.00 178.44 178.26 2h1n h HIS 58 N -0.46 0.43 0.31 0.00 -0.00 -0.39 0.21 115.15 115.25 2h1n h HIS 58 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2h1n h HIS 58 Cb 0.93 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.21 2h1n h HIS 58 CO 0.16 0.17 -0.31 0.82 -0.00 0.00 0.00 177.93 178.78 2h1n h ILE 59 N 0.45 0.35 -0.20 6.26 2.04 -1.24 -0.94 117.51 124.23 2h1n h ILE 59 Ca 0.25 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 2h1n h ILE 59 Cb 0.22 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2h1n h ILE 59 CO -0.21 0.00 -0.03 0.03 0.00 0.00 0.00 178.15 177.94 2h1n h ARG 60 N -0.65 0.30 0.05 2.37 3.08 -1.09 0.01 114.38 118.44 2h1n h ARG 60 Ca -0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2h1n h ARG 60 Cb 0.59 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2h1n h ARG 60 CO -0.06 0.35 -0.02 1.25 -1.07 0.00 0.00 179.97 180.42 2h1n h HIS 61 N 0.29 -0.06 0.00 3.04 2.76 -0.46 -3.09 115.15 117.63 2h1n h HIS 61 Ca 0.07 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 2h1n h HIS 61 Cb 0.25 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2h1n h HIS 61 CO 0.00 0.38 -0.24 1.79 -1.30 0.00 0.00 177.93 178.57 2h1n h THR 62 N -0.52 0.93 -0.43 6.26 1.35 -0.72 -2.36 112.91 117.42 2h1n h THR 62 Ca -0.01 -0.91 -0.02 0.00 -0.55 0.00 0.00 66.41 64.93 2h1n h THR 62 Cb 0.47 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 2h1n h THR 62 CO 0.01 0.24 0.21 0.40 -0.25 0.00 0.00 175.52 176.13 2h1n h ILE 63 N 0.00 1.18 -2.84 6.82 2.04 -1.02 -0.04 117.51 123.66 2h1n h ILE 63 Ca -0.00 -0.50 -0.54 0.00 1.00 0.00 0.00 64.86 64.81 2h1n h ILE 63 Cb 0.51 0.72 -0.40 0.00 -0.74 0.00 0.00 36.82 36.91 2h1n h ILE 63 CO 0.03 0.19 -0.78 -0.62 0.00 0.00 0.00 178.15 176.97 2h1n s ASP 64 N -5.80 3.58 0.00 1.72 -1.08 -0.93 -3.95 116.67 110.20 2h1n s ASP 64 Ca -0.13 -1.45 0.24 0.00 -0.52 0.00 0.00 52.55 50.69 2h1n s ASP 64 Cb 0.11 -0.45 1.26 0.00 -1.46 0.00 0.00 42.92 42.37 2h1n s ASP 64 CO 0.75 -0.42 1.80 0.35 0.52 0.00 0.00 175.17 178.16 2h1n n THR 65 N 5.05 0.20 0.76 1.71 -2.24 -0.75 -2.21 114.28 116.80 2h1n n THR 65 Ca -0.04 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 2h1n n THR 65 Cb 0.41 -0.66 0.25 0.00 -2.10 0.00 0.00 70.33 68.24 2h1n n THR 65 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2h1n n ASN 66 N -1.23 0.57 -4.59 3.42 3.02 -1.26 -4.80 115.26 110.38 2h1n n ASN 66 Ca 0.13 0.05 -0.44 0.00 -0.03 0.00 0.00 54.58 54.29 2h1n n ASN 66 Cb 0.17 0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 2h1n n ASN 66 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2h1n n ASP 67 N -1.85 3.27 -0.21 6.41 -0.08 -0.94 -4.87 116.55 118.28 2h1n n ASP 67 Ca 0.04 0.35 -0.08 0.00 -1.51 0.00 0.00 54.79 53.59 2h1n n ASP 67 Cb 0.39 -1.51 0.02 0.00 2.34 0.00 0.00 41.12 42.37 2h1n n ASP 67 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2h1n h GLU 68 N 13.93 0.96 -0.17 -0.67 4.57 -1.90 -1.38 114.58 129.92 2h1n h GLU 68 Ca -0.41 -0.24 0.03 0.00 -1.18 0.00 0.00 59.36 57.56 2h1n h GLU 68 Cb 1.25 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 2h1n h GLU 68 CO 0.96 0.89 -0.02 0.35 -1.18 0.00 0.00 179.01 180.01 2h1n h PHE 69 N 0.86 -0.05 0.00 0.92 3.57 -1.99 -2.42 116.94 117.83 2h1n h PHE 69 Ca 0.18 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 2h1n h PHE 69 Cb 0.38 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2h1n h PHE 69 CO 0.03 -0.05 -0.63 1.88 -2.23 0.00 0.00 178.31 177.31 2h1n h TYR 70 N 0.03 0.00 -0.38 0.41 -1.99 -1.93 -2.14 116.97 110.97 2h1n h TYR 70 Ca 0.08 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.85 2h1n h TYR 70 Cb 0.11 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.80 2h1n h TYR 70 CO -0.18 0.45 0.15 -0.22 -0.00 0.00 0.00 178.16 178.35 2h1n h LYS 71 N 0.00 0.30 -0.31 4.88 3.64 -1.13 0.38 116.57 124.33 2h1n h LYS 71 Ca -0.03 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 2h1n h LYS 71 Cb 1.37 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2h1n h LYS 71 CO 0.05 0.20 -0.08 0.87 -2.27 0.00 0.00 179.45 178.23 2h1n h LYS 72 N 0.31 0.61 -0.47 1.90 1.57 -1.37 -2.73 116.57 116.38 2h1n h LYS 72 Ca 0.17 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2h1n h LYS 72 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2h1n h LYS 72 CO -0.16 0.79 0.14 0.93 -0.57 0.00 0.00 179.45 180.58 2h1n h GLU 73 N 0.38 0.70 -0.40 3.15 4.39 -1.26 -1.99 114.58 119.55 2h1n h GLU 73 Ca 0.08 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2h1n h GLU 73 Cb 0.57 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2h1n h GLU 73 CO 0.03 0.62 0.10 0.37 -1.16 0.00 0.00 179.01 178.98 2h1n h GLN 74 N 0.69 0.59 -0.51 2.33 5.75 -0.83 -2.07 115.11 121.06 2h1n h GLN 74 Ca 0.16 -0.10 -0.06 0.00 -0.15 0.00 0.00 58.65 58.50 2h1n h GLN 74 Cb 0.22 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2h1n h GLN 74 CO -0.01 0.54 0.10 -0.44 -2.65 0.00 0.00 178.83 176.37 2h1n h ASP 75 N 0.58 0.80 -0.80 -0.69 3.45 -1.07 -1.25 116.42 117.45 2h1n h ASP 75 Ca 0.14 -0.25 0.11 0.00 0.43 0.00 0.00 57.03 57.46 2h1n h ASP 75 Cb 0.21 -0.21 -0.08 0.00 -0.56 0.00 0.00 39.33 38.69 2h1n h ASP 75 CO -0.00 0.84 0.42 0.15 -1.57 0.00 0.00 179.24 179.08 2h1n h PHE 76 N 0.72 0.75 -0.04 4.55 3.57 -0.86 -0.03 116.94 125.60 2h1n h PHE 76 Ca 0.16 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.51 2h1n h PHE 76 Cb 0.37 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2h1n h PHE 76 CO 0.03 0.25 -0.77 0.74 -2.23 0.00 0.00 178.31 176.33 2h1n h PHE 77 N 0.67 0.40 -1.00 0.41 0.04 -1.24 0.12 116.94 116.33 2h1n h PHE 77 Ca 0.41 -0.19 0.06 0.00 2.80 0.00 0.00 57.97 61.05 2h1n h PHE 77 Cb 0.48 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.50 2h1n h PHE 77 CO -0.09 0.94 0.65 -0.44 -0.60 0.00 0.00 178.31 178.77 2h1n h ASP 78 N 0.19 1.05 0.37 2.17 3.32 -0.68 -1.26 116.42 121.57 2h1n h ASP 78 Ca -0.03 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.70 2h1n h ASP 78 Cb 1.35 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 40.69 2h1n h ASP 78 CO 0.12 0.68 -1.48 -0.08 -1.72 0.00 0.00 179.24 176.77 2h1n h GLU 79 N 1.20 0.42 0.00 3.56 4.81 -0.67 -3.39 114.58 120.50 2h1n h GLU 79 Ca 0.42 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2h1n h GLU 79 Cb 0.12 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2h1n h GLU 79 CO -0.16 1.33 -1.60 0.25 -0.73 0.00 0.00 179.01 178.09 2h1n n THR 80 N -3.62 0.11 -0.14 0.32 -2.24 0.37 -4.31 114.28 104.78 2h1n n THR 80 Ca -0.16 -0.41 -0.04 0.00 -2.27 0.00 0.00 64.05 61.17 2h1n n THR 80 Cb 1.07 0.10 0.04 0.00 -2.10 0.00 0.00 70.33 69.45 2h1n n THR 80 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2h1n h GLU 81 N 0.00 0.11 -0.90 -0.78 4.22 -1.42 -0.63 114.58 115.19 2h1n h GLU 81 Ca 0.00 -0.01 0.22 0.00 0.08 0.00 0.00 59.36 59.65 2h1n h GLU 81 Cb 0.90 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 2h1n h GLU 81 CO 0.00 0.07 0.60 -1.35 -2.18 0.00 0.00 179.01 176.16 2h1n h PRO 82 N 0.12 0.31 0.02 0.92 0.11 -1.80 -0.34 132.00 131.34 2h1n h PRO 82 Ca 0.22 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.09 2h1n h PRO 82 Cb 0.32 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 2h1n h PRO 82 CO -0.36 0.20 -0.96 -0.39 -0.21 0.00 0.00 178.00 176.28 2h1n h VAL 83 N 0.32 1.46 -0.56 3.15 -1.51 -1.36 -2.55 116.25 115.20 2h1n h VAL 83 Ca 0.46 -2.64 -0.08 0.00 -1.23 0.00 0.00 66.70 63.21 2h1n h VAL 83 Cb 1.29 2.53 -0.02 0.00 -2.13 0.00 0.00 31.29 32.95 2h1n h VAL 83 CO -0.15 0.78 0.02 0.58 -1.23 0.00 0.00 177.57 177.57 2h1n h VAL 84 N 0.15 1.26 -0.83 7.19 2.07 -0.83 -2.08 116.25 123.17 2h1n h VAL 84 Ca -0.07 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.47 2h1n h VAL 84 Cb 1.61 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 2h1n h VAL 84 CO 0.16 0.38 0.49 0.11 0.02 0.00 0.00 177.57 178.73 2h1n h LYS 85 N 0.88 0.84 -0.55 1.57 1.79 -0.97 0.21 116.57 120.33 2h1n h LYS 85 Ca 0.17 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.62 2h1n h LYS 85 Cb 0.48 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 30.90 2h1n h LYS 85 CO 0.02 0.55 0.30 0.78 -1.08 0.00 0.00 179.45 180.03 2h1n h GLY 86 N 0.86 0.78 0.97 3.86 0.00 -1.01 0.15 103.07 108.68 2h1n h GLY 86 Ca 0.38 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2h1n h GLY 86 CO -0.21 0.16 0.18 1.41 0.00 0.00 0.00 176.54 178.08 2h1n h LEU 87 N 0.59 0.38 -0.75 3.11 3.38 -0.50 -0.16 115.31 121.36 2h1n h LEU 87 Ca 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2h1n h LEU 87 Cb 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2h1n h LEU 87 CO -0.14 0.33 0.44 0.58 0.09 0.00 0.00 178.44 179.74 2h1n h VAL 88 N 0.39 1.22 -0.58 1.22 2.07 -0.74 -1.23 116.25 118.60 2h1n h VAL 88 Ca 0.11 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.15 2h1n h VAL 88 Cb 0.03 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 2h1n h VAL 88 CO -0.02 0.24 0.33 -1.13 0.02 0.00 0.00 177.57 177.01 2h1n h ASN 89 N 1.03 0.52 -0.73 0.57 -0.73 -0.29 0.25 115.58 116.20 2h1n h ASN 89 Ca 0.27 0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.47 2h1n h ASN 89 Cb -0.01 -0.09 -0.04 0.00 0.27 0.00 0.00 38.32 38.45 2h1n h ASN 89 CO -0.05 0.36 0.48 0.44 -0.37 0.00 0.00 177.43 178.29 2h1n h ASP 90 N 0.65 0.82 -0.10 1.15 3.45 -0.57 -1.24 116.42 120.57 2h1n h ASP 90 Ca 0.24 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.69 2h1n h ASP 90 Cb 0.08 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.65 2h1n h ASP 90 CO -0.13 0.58 0.05 0.22 -1.57 0.00 0.00 179.24 178.40 2h1n h TYR 91 N 0.96 0.13 -0.81 4.55 3.20 -0.47 -2.82 116.97 121.72 2h1n h TYR 91 Ca 0.28 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 2h1n h TYR 91 Cb -0.08 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 2h1n h TYR 91 CO -0.03 0.15 0.42 1.88 -1.64 0.00 0.00 178.16 178.94 2h1n h TYR 92 N 0.07 1.13 -0.76 -3.82 0.05 -0.20 -0.98 116.97 112.47 2h1n h TYR 92 Ca 0.03 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2h1n h TYR 92 Cb 0.06 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 37.41 2h1n h TYR 92 CO -0.05 0.80 0.47 -0.09 -1.05 0.00 0.00 178.16 178.25 2h1n h ARG 93 N 1.13 1.03 -0.00 4.88 2.43 -1.16 -1.00 114.38 121.69 2h1n h ARG 93 Ca 0.28 -0.09 -0.17 0.00 -0.81 0.00 0.00 59.98 59.19 2h1n h ARG 93 Cb 0.07 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 2h1n h ARG 93 CO -0.04 0.72 -0.79 0.00 -1.51 0.00 0.00 179.97 178.34 2h1n h ALA 94 N 1.25 0.68 0.06 2.80 0.00 -1.22 -3.29 119.26 119.54 2h1n h ALA 94 Ca 0.28 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2h1n h ALA 94 Cb -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2h1n h ALA 94 CO -0.05 0.95 -0.03 1.25 0.00 0.00 0.00 179.25 181.37 2h1n h LEU 95 N 0.03 -0.07 -1.88 0.00 5.85 -0.76 -2.40 115.31 116.08 2h1n h LEU 95 Ca -0.02 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2h1n h LEU 95 Cb 1.40 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2h1n h LEU 95 CO 0.11 0.49 0.00 0.58 -0.34 0.00 0.00 178.44 179.28 2h1n h VAL 96 N -0.67 0.00 -0.04 1.05 2.07 -1.32 -1.86 116.25 115.48 2h1n h VAL 96 Ca -0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2h1n h VAL 96 Cb 0.56 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2h1n h VAL 96 CO 0.01 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.40 2h1n n SER 97 N -2.60 2.46 -4.73 0.57 7.64 -1.20 -5.03 113.62 110.72 2h1n n SER 97 Ca -0.01 -2.81 -0.42 0.00 1.01 0.00 0.00 58.87 56.64 2h1n n SER 97 Cb 0.09 -0.34 -0.02 0.00 -1.01 0.00 0.00 64.21 62.92 2h1n n SER 97 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2h1n s SER 98 N -2.31 6.43 0.00 6.43 0.15 -0.70 -4.83 113.70 118.86 2h1n s SER 98 Ca 0.26 2.84 0.00 0.00 0.70 0.00 0.00 55.95 59.74 2h1n s SER 98 Cb 0.22 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2h1n s SER 98 CO 0.03 -0.91 0.76 -0.81 1.20 0.00 0.00 173.24 173.51 2h1n n PRO 99 N 3.31 0.00 -0.52 5.44 -0.04 -1.26 -0.21 135.00 141.72 2h1n n PRO 99 Ca 0.12 0.29 0.04 0.00 -0.04 0.00 0.00 63.50 63.91 2h1n n PRO 99 Cb 0.37 -1.63 0.21 0.00 -0.04 0.00 0.00 33.50 32.40 2h1n n PRO 99 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2h1n n PHE 100 N -1.26 0.67 -0.16 0.54 3.01 -1.26 -4.77 117.46 114.23 2h1n n PHE 100 Ca 0.00 -1.25 -0.04 0.00 1.01 0.00 0.00 57.45 57.17 2h1n n PHE 100 Cb 0.13 -0.34 0.03 0.00 -0.01 0.00 0.00 39.48 39.29 2h1n n PHE 100 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2h1n h ARG 101 N 1.03 -0.08 -0.62 -1.08 2.43 -0.91 0.03 114.38 115.18 2h1n h ARG 101 Ca 0.08 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.38 2h1n h ARG 101 Cb 1.37 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.83 2h1n h ARG 101 CO 0.21 -0.05 -0.11 0.00 -1.51 0.00 0.00 179.97 178.51 2h1n h ALA 102 N 1.31 0.47 -0.25 2.80 0.00 -1.86 0.96 119.26 122.70 2h1n h ALA 102 Ca 0.24 0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.28 2h1n h ALA 102 Cb 0.45 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2h1n h ALA 102 CO -0.56 -0.42 -0.22 0.93 0.00 0.00 0.00 179.25 178.97 2h1n h GLU 103 N 0.03 0.59 -0.60 0.00 3.07 -1.70 -2.39 114.58 113.58 2h1n h GLU 103 Ca 0.30 -0.30 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 2h1n h GLU 103 Cb 0.48 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 2h1n h GLU 103 CO -0.61 0.89 0.16 -0.07 -1.40 0.00 0.00 179.01 177.99 2h1n h LEU 104 N 0.30 0.85 -0.41 1.33 4.07 -0.51 -2.65 115.31 118.29 2h1n h LEU 104 Ca 0.04 -0.15 -0.16 0.00 0.08 0.00 0.00 57.88 57.69 2h1n h LEU 104 Cb 0.77 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 2h1n h LEU 104 CO 0.06 0.82 -0.44 -0.08 -1.08 0.00 0.00 178.44 177.72 2h1n h GLU 105 N 0.88 0.86 0.00 1.13 4.81 -0.76 0.26 114.58 121.76 2h1n h GLU 105 Ca 0.19 -0.48 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 2h1n h GLU 105 Cb 0.29 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2h1n h GLU 105 CO -0.00 1.12 -0.20 0.37 -0.73 0.00 0.00 179.01 179.57 2h1n h GLN 106 N 0.69 0.00 0.13 1.92 5.75 -1.34 0.28 115.11 122.54 2h1n h GLN 106 Ca 0.04 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2h1n h GLN 106 Cb 1.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.57 2h1n h GLN 106 CO 0.10 0.20 -0.06 0.28 -2.65 0.00 0.00 178.83 176.70 2h1n h VAL 107 N 0.00 0.15 0.00 2.39 2.07 -1.04 -3.40 116.25 116.41 2h1n h VAL 107 Ca -0.00 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2h1n h VAL 107 Cb 0.37 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2h1n h VAL 107 CO 0.03 0.05 -0.79 0.79 0.02 0.00 0.00 177.57 177.66 2h1n n TRP 108 N -4.88 0.05 0.00 1.57 8.01 0.03 -5.09 117.44 117.13 2h1n n TRP 108 Ca -0.03 0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 2h1n n TRP 108 Cb 0.10 -0.20 0.00 0.00 -2.01 0.00 0.00 31.31 29.20 2h1n n TRP 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2h1n n GLY 109 N 1.47 -0.26 0.23 6.99 0.00 0.99 -4.64 105.19 109.97 2h1n n GLY 109 Ca 0.04 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.40 2h1n n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h1n h LYS 110 N 0.00 0.00 -0.71 1.61 1.57 -1.91 -3.32 116.57 113.81 2h1n h LYS 110 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2h1n h LYS 110 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2h1n h LYS 110 CO 0.00 0.18 0.17 0.37 -0.57 0.00 0.00 179.45 179.60 2h1n h GLN 111 N 0.00 1.13 -0.72 3.15 5.75 -1.82 0.70 115.11 123.29 2h1n h GLN 111 Ca -0.00 -0.27 0.14 0.00 -0.15 0.00 0.00 58.65 58.37 2h1n h GLN 111 Cb 0.33 -0.15 -0.10 0.00 1.07 0.00 0.00 27.48 28.63 2h1n h GLN 111 CO 0.02 1.00 0.25 1.25 -2.65 0.00 0.00 178.83 178.70 2h1n h LEU 112 N 1.07 0.19 -0.07 -2.39 7.12 -1.82 -0.19 115.31 119.22 2h1n h LEU 112 Ca 0.22 0.12 -0.25 0.00 0.13 0.00 0.00 57.88 58.10 2h1n h LEU 112 Cb 0.37 0.11 0.01 0.00 -0.53 0.00 0.00 40.66 40.63 2h1n h LEU 112 CO 0.00 0.07 -1.04 -0.26 -0.13 0.00 0.00 178.44 177.07 2h1n h PHE 113 N 0.38 0.70 -0.01 1.25 -1.00 -1.42 -1.99 116.94 114.86 2h1n h PHE 113 Ca 0.40 -0.41 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2h1n h PHE 113 Cb 0.61 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 40.10 2h1n h PHE 113 CO -0.19 1.25 -0.01 0.00 -1.61 0.00 0.00 178.31 177.74 2h1n h ALA 114 N 0.62 -0.01 -0.76 2.45 0.00 -0.55 -0.92 119.26 120.08 2h1n h ALA 114 Ca -0.11 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2h1n h ALA 114 Cb 1.70 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.46 2h1n h ALA 114 CO 0.18 -0.51 0.46 -0.07 0.00 0.00 0.00 179.25 179.31 2h1n h LEU 115 N -0.02 0.71 -0.13 0.00 3.38 -1.02 -2.43 115.31 115.79 2h1n h LEU 115 Ca 0.01 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2h1n h LEU 115 Cb 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2h1n h LEU 115 CO -0.02 0.46 -0.46 0.00 0.09 0.00 0.00 178.44 178.51 2h1n h ALA 116 N 1.37 0.24 -0.86 1.53 0.00 -1.20 -1.76 119.26 118.57 2h1n h ALA 116 Ca 0.33 -0.49 0.17 0.00 0.00 0.00 0.00 54.91 54.93 2h1n h ALA 116 Cb 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2h1n h ALA 116 CO -0.17 0.39 0.56 0.93 0.00 0.00 0.00 179.25 180.97 2h1n h GLU 117 N 0.18 0.49 0.24 0.00 5.08 -1.04 -1.55 114.58 117.98 2h1n h GLU 117 Ca -0.02 -0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 57.98 2h1n h GLU 117 Cb 1.09 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 30.26 2h1n h GLU 117 CO 0.10 0.33 -1.47 1.15 -1.00 0.00 0.00 179.01 178.12 2h1n h THR 118 N 0.51 1.30 0.00 1.13 2.02 -1.22 -3.19 112.91 113.46 2h1n h THR 118 Ca 0.44 -2.74 0.00 0.00 0.77 0.00 0.00 66.41 64.87 2h1n h THR 118 Cb 0.93 3.03 0.00 0.00 -1.74 0.00 0.00 68.15 70.37 2h1n h THR 118 CO -0.18 0.82 0.00 0.00 0.37 0.00 0.00 175.52 176.54 2h1n n GLN 119 N -3.69 0.19 0.22 6.66 1.13 -0.68 -2.50 117.38 118.71 2h1n n GLN 119 Ca -0.16 0.41 0.09 0.00 -1.94 0.00 0.00 57.00 55.40 2h1n n GLN 119 Cb 1.10 -1.86 0.49 0.00 0.11 0.00 0.00 30.24 30.08 2h1n n GLN 119 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2h1n h LEU 120 N 0.00 0.00 -1.96 1.08 5.85 -1.28 -2.27 115.31 116.73 2h1n h LEU 120 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2h1n h LEU 120 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2h1n h LEU 120 CO 0.00 0.25 0.00 2.29 -0.34 0.00 0.00 178.44 180.64 2h1n n LYS 121 N -3.57 2.45 0.00 1.25 2.85 -1.04 -4.23 118.16 115.87 2h1n n LYS 121 Ca -0.01 -1.77 0.08 0.00 -1.05 0.00 0.00 58.31 55.56 2h1n n LYS 121 Cb 0.40 -1.53 -0.05 0.00 -0.65 0.00 0.00 35.03 33.20 2h1n n LYS 121 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2h1n n THR 122 N 0.75 0.00 -3.80 0.58 -1.04 -0.85 -5.01 114.28 104.91 2h1n n THR 122 Ca 0.16 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.05 61.83 2h1n n THR 122 Cb 0.52 1.10 -0.11 0.00 -1.82 0.00 0.00 70.33 70.02 2h1n n THR 122 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2h1n s TYR 123 N -2.28 -0.21 -0.01 -1.42 5.04 -1.26 -5.08 117.35 112.13 2h1n s TYR 123 Ca 0.10 0.49 -0.17 0.00 -2.44 0.00 0.00 57.07 55.05 2h1n s TYR 123 Cb 0.13 0.07 0.03 0.00 0.35 0.00 0.00 41.96 42.54 2h1n s TYR 123 CO 0.56 -0.18 0.37 0.00 -1.34 0.00 0.00 175.55 174.96 2h1n s ALA 124 N -0.26 -0.94 0.34 3.97 0.00 -1.26 -5.04 121.76 118.56 2h1n s ALA 124 Ca -0.04 0.45 0.14 0.00 0.00 0.00 0.00 51.96 52.51 2h1n s ALA 124 Cb -0.03 0.11 1.05 0.00 0.00 0.00 0.00 23.12 24.25 2h1n s ALA 124 CO 0.01 -0.31 1.68 -1.35 0.00 0.00 0.00 175.76 175.79 2h1n h PRO 125 N 3.61 0.37 0.00 0.00 0.11 -2.01 -1.25 132.00 132.83 2h1n h PRO 125 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2h1n h PRO 125 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2h1n h PRO 125 CO 0.41 0.24 0.00 -0.24 -0.21 0.00 0.00 178.00 178.20 2h1n h VAL 126 N 0.38 0.00 -0.44 3.15 3.04 -1.99 -2.59 116.25 117.80 2h1n h VAL 126 Ca 0.72 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 66.31 2h1n h VAL 126 Cb 1.59 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 2h1n h VAL 126 CO -0.58 0.00 0.00 2.30 -1.01 0.00 0.00 177.57 178.28 2h1n n ILE 127 N -2.73 0.57 0.19 3.17 -5.35 -0.47 -4.61 119.36 110.13 2h1n n ILE 127 Ca -0.01 -0.76 -0.15 0.00 -0.27 0.00 0.00 62.75 61.56 2h1n n ILE 127 Cb 0.11 0.86 -0.08 0.00 -1.74 0.00 0.00 39.64 38.78 2h1n n ILE 127 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2h1n h VAL 128 N 4.32 0.69 -0.93 7.28 2.07 -1.61 -0.04 116.25 128.02 2h1n h VAL 128 Ca 0.00 -0.18 0.12 0.00 0.82 0.00 0.00 66.70 67.46 2h1n h VAL 128 Cb 0.96 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 2h1n h VAL 128 CO 0.00 0.04 0.55 -0.33 0.02 0.00 0.00 177.57 177.85 2h1n h GLU 129 N -0.55 0.84 -0.29 1.57 5.08 -1.84 -0.97 114.58 118.42 2h1n h GLU 129 Ca -0.05 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2h1n h GLU 129 Cb 0.41 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2h1n h GLU 129 CO 0.08 0.56 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.96 2h1n h ASP 130 N 0.86 0.72 -0.98 1.42 5.19 -1.81 -2.01 116.42 119.81 2h1n h ASP 130 Ca 0.47 -0.45 0.13 0.00 -0.62 0.00 0.00 57.03 56.56 2h1n h ASP 130 Cb 0.50 -0.20 -0.09 0.00 0.18 0.00 0.00 39.33 39.72 2h1n h ASP 130 CO -0.28 1.02 0.61 -0.07 -3.12 0.00 0.00 179.24 177.39 2h1n h LEU 131 N 0.42 0.87 -0.33 1.55 4.07 -0.37 0.33 115.31 121.84 2h1n h LEU 131 Ca 0.05 0.06 -0.09 0.00 0.08 0.00 0.00 57.88 57.99 2h1n h LEU 131 Cb 0.80 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 2h1n h LEU 131 CO 0.06 0.43 -0.13 1.56 -1.08 0.00 0.00 178.44 179.29 2h1n h GLN 132 N 0.92 0.67 -0.74 1.13 4.20 -0.96 -1.51 115.11 118.83 2h1n h GLN 132 Ca 0.50 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 2h1n h GLN 132 Cb 0.56 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 2h1n h GLN 132 CO -0.29 0.87 0.30 -0.22 -0.67 0.00 0.00 178.83 178.82 2h1n h LYS 133 N 0.45 1.09 -0.30 1.46 3.64 -0.97 -1.84 116.57 120.10 2h1n h LYS 133 Ca 0.08 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2h1n h LYS 133 Cb 0.64 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2h1n h LYS 133 CO 0.04 0.88 0.15 1.49 -2.27 0.00 0.00 179.45 179.74 2h1n h GLU 134 N 1.07 0.43 -0.43 1.90 4.81 -0.75 -1.48 114.58 120.12 2h1n h GLU 134 Ca 0.25 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2h1n h GLU 134 Cb 0.19 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2h1n h GLU 134 CO -0.02 0.40 0.19 -0.91 -0.73 0.00 0.00 179.01 177.95 2h1n h ASN 135 N 0.35 0.26 -0.35 1.04 2.35 -1.04 -1.60 115.58 116.61 2h1n h ASN 135 Ca 0.10 0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.72 2h1n h ASN 135 Cb 0.11 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2h1n h ASN 135 CO -0.01 0.19 -0.41 0.11 -1.65 0.00 0.00 177.43 175.66 2h1n h LYS 136 N 0.39 0.91 -0.31 0.81 1.57 -1.20 -2.17 116.57 116.57 2h1n h LYS 136 Ca 0.19 -0.49 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2h1n h LYS 136 Cb 0.13 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2h1n h LYS 136 CO -0.15 1.14 0.18 -0.07 -0.57 0.00 0.00 179.45 179.97 2h1n h LEU 137 N 0.74 0.29 -0.27 2.94 4.07 -1.14 -0.19 115.31 121.74 2h1n h LEU 137 Ca 0.06 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.06 2h1n h LEU 137 Cb 1.00 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.64 2h1n h LEU 137 CO 0.10 0.21 0.02 0.00 -1.08 0.00 0.00 178.44 177.69 2h1n h ALA 138 N 1.14 0.25 -0.87 1.53 0.00 -1.22 -2.47 119.26 117.63 2h1n h ALA 138 Ca 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2h1n h ALA 138 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2h1n h ALA 138 CO -0.06 -0.40 0.52 0.77 0.00 0.00 0.00 179.25 180.08 2h1n h SER 139 N 0.11 1.05 -1.00 0.00 0.02 -1.00 -1.74 113.55 110.97 2h1n h SER 139 Ca 0.13 -0.07 0.13 0.00 -0.84 0.00 0.00 61.79 61.14 2h1n h SER 139 Cb 0.16 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 62.35 2h1n h SER 139 CO -0.20 0.81 0.63 -0.08 -1.14 0.00 0.00 176.83 176.85 2h1n h GLU 140 N 1.20 0.94 -0.04 3.45 4.81 -0.58 -0.32 114.58 124.04 2h1n h GLU 140 Ca 0.31 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2h1n h GLU 140 Cb -0.04 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 2h1n h GLU 140 CO -0.06 0.63 -0.00 -0.92 -0.73 0.00 0.00 179.01 177.92 2h1n h TYR 141 N 0.97 0.08 -0.51 0.92 3.20 -1.03 -1.48 116.97 119.12 2h1n h TYR 141 Ca 0.50 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.42 2h1n h TYR 141 Cb 0.53 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 2h1n h TYR 141 CO -0.00 0.39 0.20 1.15 -1.64 0.00 0.00 178.16 178.26 2h1n h THR 142 N -0.26 0.85 -0.86 1.81 2.02 -1.18 -1.89 112.91 113.40 2h1n h THR 142 Ca 0.01 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.08 2h1n h THR 142 Cb 0.36 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 2h1n h THR 142 CO 0.00 0.07 0.56 0.50 0.37 0.00 0.00 175.52 177.03 2h1n h LYS 143 N 0.39 1.08 0.17 6.66 1.63 -1.00 -1.30 116.57 124.20 2h1n h LYS 143 Ca 0.24 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 2h1n h LYS 143 Cb 0.24 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2h1n h LYS 143 CO -0.23 0.71 -0.08 1.25 -3.45 0.00 0.00 179.45 177.65 2h1n h LEU 144 N 1.11 -0.19 -0.82 5.20 5.85 -0.53 -2.35 115.31 123.58 2h1n h LEU 144 Ca 0.33 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2h1n h LEU 144 Cb -0.04 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2h1n h LEU 144 CO -0.10 0.08 0.52 0.40 -0.34 0.00 0.00 178.44 179.00 2h1n h ILE 145 N -0.47 1.11 0.00 4.05 5.03 -1.24 -2.20 117.51 123.78 2h1n h ILE 145 Ca -0.02 -0.34 0.00 0.00 -0.12 0.00 0.00 64.86 64.37 2h1n h ILE 145 Cb 0.37 0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.17 2h1n h ILE 145 CO 0.04 0.18 0.00 0.00 -0.68 0.00 0.00 178.15 177.69 2h1n h ALA 146 N 1.35 1.00 -0.01 1.87 0.00 -1.05 -2.66 119.26 119.76 2h1n h ALA 146 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2h1n h ALA 146 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2h1n h ALA 146 CO -0.13 0.00 -0.16 -1.13 0.00 0.00 0.00 179.25 177.84 2h1n n SER 147 N -2.88 0.91 -4.69 0.00 3.41 -0.83 -3.76 113.62 105.78 2h1n n SER 147 Ca -0.00 -0.91 -0.59 0.00 -0.26 0.00 0.00 58.87 57.11 2h1n n SER 147 Cb 0.21 0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 2h1n n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h1n n ALA 148 N -0.60 -0.69 -3.47 7.33 0.00 -1.00 -4.92 120.51 117.16 2h1n n ALA 148 Ca 0.15 0.44 -0.26 0.00 0.00 0.00 0.00 53.44 53.76 2h1n n ALA 148 Cb 0.32 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.55 2h1n n ALA 148 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2h1n n LYS 149 N 4.51 1.46 0.00 0.00 5.02 -1.26 -4.17 118.16 123.72 2h1n n LYS 149 Ca 0.26 -3.98 0.00 0.00 -2.02 0.00 0.00 58.31 52.57 2h1n n LYS 149 Cb 0.10 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 2h1n n LYS 149 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2h1n n ILE 150 N 1.64 0.00 0.00 -0.18 5.41 -0.23 -4.68 119.36 121.32 2h1n n ILE 150 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.00 2h1n n ILE 150 Cb 0.44 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.37 2h1n n ILE 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 2h1n n PHE 152 N 0.00 0.00 -3.77 1.39 7.35 -0.77 -0.06 117.46 121.61 2h1n n PHE 152 Ca 0.00 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.41 2h1n n PHE 152 Cb 0.00 0.00 0.04 0.00 0.35 0.00 0.00 39.48 39.87 2h1n n PHE 152 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2h1n n GLU 153 N 0.00 -5.96 0.00 -4.13 -0.58 -1.26 -3.04 120.64 105.67 2h1n n GLU 153 Ca 0.00 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 2h1n n GLU 153 Cb 0.00 -5.58 0.00 0.00 -0.57 0.00 0.00 31.44 25.29 2h1n n GLU 153 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2h1n n GLY 154 N -1.73 2.47 3.50 0.62 0.00 -1.26 -5.07 105.19 103.73 2h1n n GLY 154 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2h1n n GLY 154 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h1n s GLU 155 N -0.26 1.66 0.26 1.61 -1.05 -1.17 -5.15 118.70 114.61 2h1n s GLU 155 Ca 0.00 -1.51 -0.30 0.00 -0.15 0.00 0.00 54.97 53.02 2h1n s GLU 155 Cb 0.00 0.44 -0.09 0.00 -0.44 0.00 0.00 34.13 34.04 2h1n s GLU 155 CO 0.00 -0.68 1.09 -1.21 0.95 0.00 0.00 175.26 175.41 2h1n s GLU 156 N -3.61 4.65 0.03 -4.83 2.02 -1.26 -1.84 118.70 113.86 2h1n s GLU 156 Ca 0.28 1.77 0.02 0.00 0.02 0.00 0.00 54.97 57.06 2h1n s GLU 156 Cb 0.00 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 2h1n s GLU 156 CO 0.14 0.21 -0.08 1.03 0.02 0.00 0.00 175.26 176.58 2h1n s ARG 157 N -1.21 0.54 0.82 1.61 0.52 0.92 -4.85 118.95 117.29 2h1n s ARG 157 Ca 0.45 -0.62 -0.12 0.00 -0.52 0.00 0.00 55.73 54.93 2h1n s ARG 157 Cb -0.31 -0.38 0.08 0.00 0.52 0.00 0.00 34.95 34.86 2h1n s ARG 157 CO 0.39 0.08 1.12 0.95 0.02 0.00 0.00 175.30 177.86 2h1n s THR 158 N -1.02 2.69 0.21 0.02 -4.23 -1.26 -1.06 115.64 110.99 2h1n s THR 158 Ca -0.06 0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 2h1n s THR 158 Cb -0.08 -3.04 0.20 0.00 1.34 0.00 0.00 72.50 70.91 2h1n s THR 158 CO 0.00 -0.29 1.66 -0.07 -0.54 0.00 0.00 174.62 175.38 2h1n h LEU 159 N -1.13 -0.29 -1.12 4.79 -0.00 -1.86 -1.75 115.31 113.94 2h1n h LEU 159 Ca -0.48 0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 57.54 2h1n h LEU 159 Cb 1.29 0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 42.19 2h1n h LEU 159 CO 0.62 -0.12 0.35 0.00 -0.00 0.00 0.00 178.44 179.29 2h1n h ALA 160 N 1.56 1.32 0.00 1.53 0.00 -1.97 -2.80 119.26 118.90 2h1n h ALA 160 Ca 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2h1n h ALA 160 Cb 0.51 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2h1n h ALA 160 CO -0.53 0.54 0.00 1.04 0.00 0.00 0.00 179.25 180.30 2h1n n GLN 161 N -4.35 0.05 0.12 0.00 6.02 -0.66 -1.95 117.38 116.61 2h1n n GLN 161 Ca 0.07 0.18 0.13 0.00 -0.01 0.00 0.00 57.00 57.37 2h1n n GLN 161 Cb 0.12 -1.50 0.41 0.00 1.02 0.00 0.00 30.24 30.29 2h1n n GLN 161 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2h1n h LEU 162 N 0.00 0.00 -0.65 1.08 3.38 -1.47 -3.38 115.31 114.27 2h1n h LEU 162 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 2h1n h LEU 162 Cb 0.27 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.90 2h1n h LEU 162 CO 0.00 0.00 -0.23 -0.61 0.09 0.00 0.00 178.44 177.69 2h1n h GLN 163 N 0.00 -0.06 -0.60 1.13 5.75 -1.56 0.84 115.11 120.60 2h1n h GLN 163 Ca 0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.57 2h1n h GLN 163 Cb 0.67 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 2h1n h GLN 163 CO 0.00 -0.04 0.40 -1.35 -2.65 0.00 0.00 178.83 175.19 2h1n h PRO 164 N -0.06 0.56 0.13 -2.39 0.11 -1.84 -1.19 132.00 127.33 2h1n h PRO 164 Ca 0.29 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 66.08 2h1n h PRO 164 Cb 0.52 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.52 2h1n h PRO 164 CO -0.69 0.37 -1.24 0.74 -0.21 0.00 0.00 178.00 176.97 2h1n h PHE 165 N 0.58 0.78 -0.13 0.65 -1.00 -1.32 -3.17 116.94 113.33 2h1n h PHE 165 Ca 0.26 -0.52 0.03 0.00 2.81 0.00 0.00 57.97 60.55 2h1n h PHE 165 Cb 0.29 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 2h1n h PHE 165 CO -0.00 1.38 0.09 0.28 -1.61 0.00 0.00 178.31 178.45 2h1n h VAL 166 N 0.18 0.95 -0.53 -0.55 2.07 0.02 -2.07 116.25 116.32 2h1n h VAL 166 Ca -0.17 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2h1n h VAL 166 Cb 1.93 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2h1n h VAL 166 CO 0.22 0.01 0.03 -0.62 0.02 0.00 0.00 177.57 177.23 2h1n n GLU 167 N -4.51 4.36 -2.32 1.57 1.02 -0.54 -4.72 120.64 115.50 2h1n n GLU 167 Ca -0.00 -2.80 -0.38 0.00 -0.02 0.00 0.00 57.16 53.95 2h1n n GLU 167 Cb 0.19 -2.18 -0.02 0.00 -0.02 0.00 0.00 31.44 29.41 2h1n n GLU 167 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2h1n s SER 168 N -0.71 6.56 0.34 1.62 0.15 -0.78 -4.64 113.70 116.25 2h1n s SER 168 Ca 0.49 2.31 0.07 0.00 0.70 0.00 0.00 55.95 59.52 2h1n s SER 168 Cb 0.37 -2.61 0.74 0.00 -1.71 0.00 0.00 66.02 62.82 2h1n s SER 168 CO 0.14 -0.64 1.89 -0.65 1.20 0.00 0.00 173.24 175.17 2h1n h PRO 169 N 2.65 0.75 -6.26 5.44 0.11 -1.91 -3.41 132.00 129.38 2h1n h PRO 169 Ca -0.49 -0.05 -0.56 0.00 0.11 0.00 0.00 66.00 65.02 2h1n h PRO 169 Cb 1.23 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2h1n h PRO 169 CO 0.63 0.50 1.14 0.34 -0.21 0.00 0.00 178.00 180.39 2h1n s ASP 170 N -5.87 6.44 0.25 -2.05 3.68 -1.26 -4.92 116.67 112.95 2h1n s ASP 170 Ca -0.10 1.92 -0.02 0.00 2.13 0.00 0.00 52.55 56.48 2h1n s ASP 170 Cb 0.21 -2.53 0.31 0.00 -1.45 0.00 0.00 42.92 39.46 2h1n s ASP 170 CO 0.79 -1.16 1.71 -0.09 0.13 0.00 0.00 175.17 176.56 2h1n h ARG 171 N 10.50 0.72 -1.67 4.34 2.43 -2.00 -2.21 114.38 126.49 2h1n h ARG 171 Ca -0.37 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 2h1n h ARG 171 Cb 1.17 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2h1n h ARG 171 CO 0.98 0.81 0.00 0.00 -1.51 0.00 0.00 179.97 180.25 2h1n n ALA 172 N -2.49 2.14 0.00 2.80 0.00 -1.26 -2.08 120.51 119.62 2h1n n ALA 172 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2h1n n ALA 172 Cb 0.36 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2h1n n ALA 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2h1n n ARG 174 N 1.05 0.00 -0.04 0.00 1.74 -0.83 -2.14 116.66 116.44 2h1n n ARG 174 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2h1n n ARG 174 Cb 0.22 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.58 2h1n n ARG 174 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2h1n h GLN 175 N 0.00 0.20 -1.01 5.56 4.15 -1.71 -1.28 115.11 121.03 2h1n h GLN 175 Ca 0.00 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.34 2h1n h GLN 175 Cb 0.00 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.64 2h1n h GLN 175 CO 0.00 0.61 0.67 0.00 -1.93 0.00 0.00 178.83 178.18 2h1n h ARG 176 N -0.20 1.31 -0.17 1.69 3.08 -1.72 -1.34 114.38 117.02 2h1n h ARG 176 Ca 0.02 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2h1n h ARG 176 Cb 0.56 -0.30 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2h1n h ARG 176 CO 0.02 0.87 -0.07 0.00 -1.07 0.00 0.00 179.97 179.71 2h1n h ALA 177 N 1.38 0.24 -0.43 0.04 0.00 -1.81 -0.95 119.26 117.73 2h1n h ALA 177 Ca 0.38 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2h1n h ALA 177 Cb -0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2h1n h ALA 177 CO -0.09 0.04 0.13 0.77 0.00 0.00 0.00 179.25 180.10 2h1n h SER 178 N 0.04 0.63 -0.47 0.00 0.02 -1.10 -0.44 113.55 112.22 2h1n h SER 178 Ca 0.04 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2h1n h SER 178 Cb 0.54 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2h1n h SER 178 CO 0.02 0.68 0.30 -0.33 -1.14 0.00 0.00 176.83 176.36 2h1n h GLU 179 N 0.55 0.64 -0.15 3.45 5.08 -1.23 -0.30 114.58 122.63 2h1n h GLU 179 Ca 0.14 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2h1n h GLU 179 Cb 0.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2h1n h GLU 179 CO -0.00 0.45 0.01 0.00 -1.00 0.00 0.00 179.01 178.47 2h1n h ALA 180 N 1.67 0.20 -0.58 3.43 0.00 -0.68 0.20 119.26 123.49 2h1n h ALA 180 Ca 0.18 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2h1n h ALA 180 Cb -0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2h1n h ALA 180 CO -0.03 -0.12 0.33 -0.09 0.00 0.00 0.00 179.25 179.33 2h1n h ARG 181 N 0.01 0.61 0.00 0.00 2.43 -0.38 -2.55 114.38 114.50 2h1n h ARG 181 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2h1n h ARG 181 Cb 0.34 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2h1n h ARG 181 CO 0.01 0.40 -0.28 0.74 -1.51 0.00 0.00 179.97 179.32 2h1n h PHE 182 N 0.63 0.00 0.00 2.20 -1.00 -0.99 -3.01 116.94 114.77 2h1n h PHE 182 Ca 0.25 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.00 2h1n h PHE 182 Cb 0.11 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.67 2h1n h PHE 182 CO -0.08 0.00 -0.16 0.66 -1.61 0.00 0.00 178.31 177.12 2h1n h SER 183 N 0.00 0.00 -0.57 2.17 4.64 -0.16 0.14 113.55 119.76 2h1n h SER 183 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2h1n h SER 183 Cb 0.76 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 2h1n h SER 183 CO 0.00 0.16 0.08 0.15 -0.87 0.00 0.00 176.83 176.35 2h1n h PHE 184 N 0.00 1.02 0.12 4.77 3.57 -1.40 -1.55 116.94 123.46 2h1n h PHE 184 Ca -0.00 -0.15 -0.30 0.00 3.53 0.00 0.00 57.97 61.05 2h1n h PHE 184 Cb 0.43 -0.28 0.03 0.00 2.79 0.00 0.00 35.95 38.92 2h1n h PHE 184 CO 0.00 0.90 -1.24 0.74 -2.23 0.00 0.00 178.31 176.47 2h1n h PHE 185 N 0.85 1.01 -0.82 0.41 -1.00 -1.47 -2.36 116.94 113.57 2h1n h PHE 185 Ca 0.17 -0.63 0.11 0.00 2.81 0.00 0.00 57.97 60.42 2h1n h PHE 185 Cb 0.44 -0.08 -0.08 0.00 3.61 0.00 0.00 35.95 39.84 2h1n h PHE 185 CO 0.03 1.47 0.45 -0.22 -1.61 0.00 0.00 178.31 178.44 2h1n h LYS 186 N 0.28 0.72 -0.39 1.51 3.11 -0.81 -1.65 116.57 119.33 2h1n h LYS 186 Ca -0.19 -0.04 -0.10 0.00 -2.81 0.00 0.00 60.65 57.51 2h1n h LYS 186 Cb 1.91 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 32.97 2h1n h LYS 186 CO 0.24 0.47 -0.16 -0.44 -2.81 0.00 0.00 179.45 176.75 2h1n h ASP 187 N 0.74 0.72 -0.77 4.20 3.32 -1.22 -2.99 116.42 120.42 2h1n h ASP 187 Ca 0.41 -0.23 -0.24 0.00 0.02 0.00 0.00 57.03 56.98 2h1n h ASP 187 Cb 0.43 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 39.64 2h1n h ASP 187 CO -0.27 0.89 0.31 -1.22 -1.72 0.00 0.00 179.24 177.23 2h1n n TYR 188 N -4.15 2.55 0.16 4.55 4.01 -0.89 -4.69 117.16 118.70 2h1n n TYR 188 Ca 0.01 -1.25 -0.14 0.00 -0.16 0.00 0.00 57.90 56.36 2h1n n TYR 188 Cb 0.39 -0.72 -0.07 0.00 -0.31 0.00 0.00 39.34 38.63 2h1n n TYR 188 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2h1n h GLU 189 N 2.59 -0.41 -0.56 -0.72 4.81 -1.16 0.18 114.58 119.31 2h1n h GLU 189 Ca 0.30 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.66 2h1n h GLU 189 Cb 2.40 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 31.79 2h1n h GLU 189 CO 0.78 -0.27 0.08 0.87 -0.73 0.00 0.00 179.01 179.73 2h1n h LYS 190 N -0.43 0.19 -0.04 1.92 1.79 -1.86 0.22 116.57 118.37 2h1n h LYS 190 Ca -0.01 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2h1n h LYS 190 Cb 0.38 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2h1n h LYS 190 CO -0.01 0.13 0.02 0.93 -1.08 0.00 0.00 179.45 179.44 2h1n h GLU 191 N 0.20 0.05 -0.54 3.15 3.07 -1.76 -1.01 114.58 117.75 2h1n h GLU 191 Ca 0.29 -0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.04 2h1n h GLU 191 Cb 0.44 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 2h1n h GLU 191 CO -0.41 0.08 -0.08 -0.07 -1.40 0.00 0.00 179.01 177.13 2h1n h LEU 192 N 0.00 1.00 0.19 1.33 3.38 -0.55 0.31 115.31 120.97 2h1n h LEU 192 Ca 0.01 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2h1n h LEU 192 Cb 0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2h1n h LEU 192 CO -0.00 1.11 -0.13 0.44 0.09 0.00 0.00 178.44 179.95 2h1n h ASP 193 N 0.88 -0.32 -0.47 -0.43 3.32 -0.44 -1.84 116.42 117.11 2h1n h ASP 193 Ca 0.14 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 2h1n h ASP 193 Cb 0.64 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2h1n h ASP 193 CO 0.04 -0.20 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.02 2h1n h GLU 194 N -0.31 0.90 -0.21 3.56 5.08 -1.11 -0.74 114.58 121.75 2h1n h GLU 194 Ca -0.01 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2h1n h GLU 194 Cb 0.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2h1n h GLU 194 CO 0.01 0.90 0.10 1.25 -1.00 0.00 0.00 179.01 180.27 2h1n h LEU 195 N 0.83 0.28 -0.50 1.33 6.46 -0.81 -0.13 115.31 122.78 2h1n h LEU 195 Ca 0.15 -0.13 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 2h1n h LEU 195 Cb 0.51 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 2h1n h LEU 195 CO 0.03 0.32 0.12 0.22 -0.62 0.00 0.00 178.44 178.51 2h1n h TYR 196 N 0.21 0.84 -0.87 1.25 3.20 -1.24 -1.39 116.97 118.96 2h1n h TYR 196 Ca 0.07 -0.10 0.08 0.00 3.14 0.00 0.00 58.73 61.92 2h1n h TYR 196 Cb 0.12 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.09 2h1n h TYR 196 CO -0.02 0.75 0.53 0.22 -1.64 0.00 0.00 178.16 178.00 2h1n h ASP 197 N 0.69 0.81 -0.20 -2.11 3.58 -0.78 0.22 116.42 118.63 2h1n h ASP 197 Ca 0.16 0.03 -0.21 0.00 0.42 0.00 0.00 57.03 57.42 2h1n h ASP 197 Cb 0.34 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.26 2h1n h ASP 197 CO 0.00 0.50 -0.69 -0.08 -2.88 0.00 0.00 179.24 176.08 2h1n h GLU 198 N 0.93 0.83 -0.35 0.28 4.81 -0.88 -2.25 114.58 117.96 2h1n h GLU 198 Ca 0.40 -0.62 0.06 0.00 -0.13 0.00 0.00 59.36 59.07 2h1n h GLU 198 Cb 0.26 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 2h1n h GLU 198 CO -0.20 1.24 0.02 -0.07 -0.73 0.00 0.00 179.01 179.26 2h1n h LEU 199 N 0.60 -0.11 -0.34 1.64 -0.00 -0.71 -1.07 115.31 115.31 2h1n h LEU 199 Ca -0.03 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 2h1n h LEU 199 Cb 1.32 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 42.09 2h1n h LEU 199 CO 0.15 -0.02 0.17 0.58 -0.00 0.00 0.00 178.44 179.32 2h1n h VAL 200 N 0.12 1.15 -0.52 1.22 2.07 -0.54 -1.33 116.25 118.42 2h1n h VAL 200 Ca 0.17 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 2h1n h VAL 200 Cb 0.22 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2h1n h VAL 200 CO -0.27 0.16 -0.15 0.45 0.02 0.00 0.00 177.57 177.78 2h1n h HIS 201 N 0.42 1.15 -0.48 1.57 3.86 -1.16 -0.95 115.15 119.56 2h1n h HIS 201 Ca 0.12 -0.26 -0.11 0.00 -1.16 0.00 0.00 60.37 58.96 2h1n h HIS 201 Cb 0.10 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 2h1n h HIS 201 CO -0.02 1.08 -0.13 -0.24 0.86 0.00 0.00 177.93 179.48 2h1n h VAL 202 N 0.88 1.27 -0.64 2.45 3.04 -1.12 -1.01 116.25 121.12 2h1n h VAL 202 Ca 0.13 -1.26 -0.04 0.00 -1.01 0.00 0.00 66.70 64.52 2h1n h VAL 202 Cb 0.73 1.09 -0.03 0.00 -2.01 0.00 0.00 31.29 31.07 2h1n h VAL 202 CO 0.06 0.44 0.25 0.03 -1.01 0.00 0.00 177.57 177.33 2h1n h ARG 203 N 0.78 0.94 0.03 4.17 3.08 -1.03 -0.61 114.38 121.74 2h1n h ARG 203 Ca 0.12 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2h1n h ARG 203 Cb 0.68 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2h1n h ARG 203 CO 0.05 0.77 -0.01 1.15 -1.07 0.00 0.00 179.97 180.86 2h1n h THR 204 N 0.93 1.23 -0.60 2.04 2.02 -1.03 -2.20 112.91 115.30 2h1n h THR 204 Ca 0.22 -0.82 0.07 0.00 0.77 0.00 0.00 66.41 66.65 2h1n h THR 204 Cb 0.19 1.78 -0.06 0.00 -1.74 0.00 0.00 68.15 68.32 2h1n h THR 204 CO -0.02 0.21 0.27 0.00 0.37 0.00 0.00 175.52 176.35 2h1n h ALA 205 N 0.56 0.78 -0.10 6.16 0.00 -1.01 0.80 119.26 126.46 2h1n h ALA 205 Ca -0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2h1n h ALA 205 Cb 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2h1n h ALA 205 CO 0.01 -0.11 -0.03 0.82 0.00 0.00 0.00 179.25 179.94 2h1n h ILE 206 N 0.50 0.89 0.00 0.00 2.04 -1.08 0.49 117.51 120.35 2h1n h ILE 206 Ca 0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 2h1n h ILE 206 Cb 0.27 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2h1n h ILE 206 CO -0.24 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 177.90 2h1n h ALA 207 N 1.09 -0.02 -0.63 1.87 0.00 -0.79 -1.23 119.26 119.55 2h1n h ALA 207 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2h1n h ALA 207 Cb 0.08 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2h1n h ALA 207 CO -0.11 -0.51 0.34 0.00 0.00 0.00 0.00 179.25 178.97 2h1n h ARG 208 N -0.03 0.62 -0.39 0.00 2.47 -0.66 0.90 114.38 117.30 2h1n h ARG 208 Ca 0.00 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2h1n h ARG 208 Cb 0.03 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.19 2h1n h ARG 208 CO -0.01 0.41 0.23 0.87 0.56 0.00 0.00 179.97 182.02 2h1n h LYS 209 N 0.64 0.53 0.00 0.04 1.57 -0.58 -0.25 116.57 118.51 2h1n h LYS 209 Ca 0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2h1n h LYS 209 Cb 0.17 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2h1n h LYS 209 CO -0.18 0.38 0.00 1.28 -0.57 0.00 0.00 179.45 180.36 2h1n n LEU 210 N -4.45 0.00 0.00 2.94 4.77 -0.49 -4.89 117.00 114.88 2h1n n LEU 210 Ca 0.03 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2h1n n LEU 210 Cb 0.09 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2h1n n LEU 210 CO 0.36 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2h1n n GLY 211 N 0.99 0.90 3.86 -0.72 0.00 -0.11 -5.07 105.19 105.04 2h1n n GLY 211 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2h1n n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h1n s PHE 212 N -2.03 3.40 0.30 1.61 0.40 0.23 -4.95 117.98 116.94 2h1n s PHE 212 Ca 0.00 1.12 -0.01 0.00 -0.60 0.00 0.00 56.93 57.44 2h1n s PHE 212 Cb 0.00 -2.45 0.45 0.00 0.51 0.00 0.00 43.02 41.53 2h1n s PHE 212 CO 0.00 0.16 1.91 0.37 0.70 0.00 0.00 175.22 178.36 2h1n h GLN 213 N 2.39 0.93 0.00 0.44 4.15 -1.93 -3.28 115.11 117.81 2h1n h GLN 213 Ca -0.48 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 58.83 2h1n h GLN 213 Cb 1.17 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.69 2h1n h GLN 213 CO 0.66 0.71 0.16 0.27 -1.93 0.00 0.00 178.83 178.70 2h1n n ASN 214 N -4.35 -1.15 0.23 -0.69 0.23 -1.26 -4.86 115.26 103.40 2h1n n ASN 214 Ca 0.06 -1.78 0.10 0.00 -0.53 0.00 0.00 54.58 52.43 2h1n n ASN 214 Cb 0.12 1.91 0.52 0.00 -2.08 0.00 0.00 39.78 40.25 2h1n n ASN 214 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2h1n h PHE 215 N 1.50 0.00 -0.04 -2.53 3.57 -1.82 -3.36 116.94 114.27 2h1n h PHE 215 Ca -0.17 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.35 2h1n h PHE 215 Cb 0.63 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 2h1n h PHE 215 CO 0.00 0.22 -0.48 0.28 -2.23 0.00 0.00 178.31 176.10 2h1n h VAL 216 N 0.00 0.00 -0.92 1.41 2.07 -1.96 0.35 116.25 117.20 2h1n h VAL 216 Ca -0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2h1n h VAL 216 Cb 0.63 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 2h1n h VAL 216 CO 0.03 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 178.13 2h1n h GLU 217 N -0.57 0.93 -0.08 1.57 4.81 -2.01 -2.12 114.58 117.10 2h1n h GLU 217 Ca 0.02 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2h1n h GLU 217 Cb 0.63 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2h1n h GLU 217 CO -0.34 0.61 -0.06 1.25 -0.73 0.00 0.00 179.01 179.74 2h1n h LEU 218 N 0.95 0.20 -0.59 1.64 5.85 -1.46 -2.34 115.31 119.56 2h1n h LEU 218 Ca 0.42 -0.45 0.11 0.00 0.84 0.00 0.00 57.88 58.80 2h1n h LEU 218 Cb 0.35 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 2h1n h LEU 218 CO -0.18 0.60 0.13 1.23 -0.34 0.00 0.00 178.44 179.88 2h1n h GLY 219 N -0.21 0.74 0.74 3.75 0.00 0.20 0.17 103.07 108.47 2h1n h GLY 219 Ca 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.35 2h1n h GLY 219 CO 0.02 -0.10 0.05 -0.97 0.00 0.00 0.00 176.54 175.53 2h1n h TYR 220 N 0.26 0.08 -0.76 5.60 -1.99 -1.43 -2.44 116.97 116.28 2h1n h TYR 220 Ca 0.30 0.01 0.05 0.00 2.00 0.00 0.00 58.73 61.10 2h1n h TYR 220 Cb 0.44 -0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.12 2h1n h TYR 220 CO -0.24 0.02 0.46 0.00 -0.00 0.00 0.00 178.16 178.41 2h1n h ALA 221 N 1.17 1.02 -0.50 3.88 0.00 -0.61 -1.16 119.26 123.06 2h1n h ALA 221 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2h1n h ALA 221 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2h1n h ALA 221 CO -0.14 0.21 0.33 0.00 0.00 0.00 0.00 179.25 179.65 2h1n h ARG 222 N 0.87 0.51 -0.07 0.00 3.08 -0.38 -1.64 114.38 116.75 2h1n h ARG 222 Ca 0.32 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2h1n h ARG 222 Cb 0.11 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2h1n h ARG 222 CO -0.15 0.34 0.00 1.28 -1.07 0.00 0.00 179.97 180.37 2h1n n LEU 223 N -4.47 0.72 -0.36 3.04 4.32 -0.46 -4.90 117.00 114.89 2h1n n LEU 223 Ca 0.06 -0.30 -0.05 0.00 -0.02 0.00 0.00 56.01 55.70 2h1n n LEU 223 Cb 0.17 -0.04 -0.02 0.00 -1.62 0.00 0.00 43.42 41.91 2h1n n LEU 223 CO 0.35 0.15 -0.05 0.61 -1.22 0.00 0.00 177.39 177.23 2h1n n GLY 224 N 0.94 0.72 3.56 -0.72 0.00 -0.62 -4.63 105.19 104.45 2h1n n GLY 224 Ca 0.15 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 2h1n n GLY 224 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h1n s ARG 225 N -1.90 2.85 0.00 1.61 0.52 -1.11 -4.74 118.95 116.18 2h1n s ARG 225 Ca 0.00 -0.33 0.24 0.00 -0.52 0.00 0.00 55.73 55.11 2h1n s ARG 225 Cb 0.00 -4.96 0.24 0.00 0.52 0.00 0.00 34.95 30.74 2h1n s ARG 225 CO 0.00 -2.92 1.23 0.25 0.02 0.00 0.00 175.30 173.87 2h1n n THR 226 N 7.44 0.00 -0.06 0.02 -2.24 -1.26 -4.51 114.28 113.68 2h1n n THR 226 Ca 0.33 -0.09 -0.03 0.00 -2.27 0.00 0.00 64.05 61.99 2h1n n THR 226 Cb 0.49 0.72 -0.12 0.00 -2.10 0.00 0.00 70.33 69.31 2h1n n THR 226 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2h1n n ASP 227 N -0.99 1.19 -3.83 3.42 8.00 -1.26 -5.03 116.55 118.05 2h1n n ASP 227 Ca 0.07 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.47 2h1n n ASP 227 Cb 0.37 1.12 -0.08 0.00 -0.02 0.00 0.00 41.12 42.50 2h1n n ASP 227 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2h1n s TYR 228 N -2.58 0.02 0.12 1.24 -0.85 -1.26 -5.05 117.35 108.99 2h1n s TYR 228 Ca -0.07 -0.20 0.01 0.00 -0.52 0.00 0.00 57.07 56.28 2h1n s TYR 228 Cb 0.06 -0.00 -0.00 0.00 0.38 0.00 0.00 41.96 42.39 2h1n s TYR 228 CO 0.65 -0.43 0.03 0.27 -1.52 0.00 0.00 175.55 174.55 2h1n n ASN 229 N 0.73 1.31 -0.28 -0.18 0.23 -1.26 -4.93 115.26 110.88 2h1n n ASN 229 Ca -0.19 -1.62 0.03 0.00 -0.53 0.00 0.00 54.58 52.27 2h1n n ASN 229 Cb 0.59 0.25 0.17 0.00 -2.08 0.00 0.00 39.78 38.71 2h1n n ASN 229 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2h1n h ALA 230 N 1.17 1.13 0.00 -2.53 0.00 -2.01 -2.10 119.26 114.91 2h1n h ALA 230 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2h1n h ALA 230 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2h1n h ALA 230 CO 0.15 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.18 2h1n n ASP 231 N -4.80 0.06 0.00 0.00 8.00 -1.26 -1.46 116.55 117.09 2h1n n ASP 231 Ca 0.13 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2h1n n ASP 231 Cb 0.30 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2h1n n ASP 231 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2h1n n VAL 233 N 0.57 0.00 -0.31 2.53 0.31 -0.79 -2.50 118.33 118.13 2h1n n VAL 233 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2h1n n VAL 233 Cb 0.01 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.03 2h1n n VAL 233 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h1n h ALA 234 N 0.00 1.12 -0.70 3.52 0.00 -1.52 -0.90 119.26 120.77 2h1n h ALA 234 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2h1n h ALA 234 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2h1n h ALA 234 CO 0.00 0.67 0.17 0.78 0.00 0.00 0.00 179.25 180.87 2h1n h GLY 235 N 1.22 1.20 1.03 0.00 0.00 -1.76 -2.62 103.07 102.14 2h1n h GLY 235 Ca 0.29 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 2h1n h GLY 235 CO -0.04 0.70 0.38 -1.82 0.00 0.00 0.00 176.54 175.76 2h1n h TYR 236 N 1.06 1.18 -0.74 5.60 3.20 -1.64 -2.37 116.97 123.26 2h1n h TYR 236 Ca 0.22 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.04 2h1n h TYR 236 Cb 0.37 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 2h1n h TYR 236 CO 0.03 0.86 0.49 0.00 -1.64 0.00 0.00 178.16 177.90 2h1n h ARG 237 N 1.16 0.96 -0.73 1.82 3.08 -1.00 -1.61 114.38 118.07 2h1n h ARG 237 Ca 0.28 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.32 2h1n h ARG 237 Cb 0.14 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 2h1n h ARG 237 CO -0.03 0.64 0.43 -0.09 -1.07 0.00 0.00 179.97 179.85 2h1n h ARG 238 N 0.99 0.78 -0.05 0.04 2.43 -1.09 0.18 114.38 117.67 2h1n h ARG 238 Ca 0.27 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2h1n h ARG 238 Cb -0.10 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 2h1n h ARG 238 CO -0.06 0.52 -0.02 1.96 -1.51 0.00 0.00 179.97 180.86 2h1n h GLN 239 N 0.80 -0.01 -0.28 0.20 4.20 -0.89 0.00 115.11 119.14 2h1n h GLN 239 Ca 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 2h1n h GLN 239 Cb 0.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2h1n h GLN 239 CO -0.17 -0.00 0.12 0.28 -0.67 0.00 0.00 178.83 178.39 2h1n h VAL 240 N -0.01 1.17 -0.54 -0.54 2.07 -0.81 -1.62 116.25 115.97 2h1n h VAL 240 Ca 0.03 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2h1n h VAL 240 Cb 0.04 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2h1n h VAL 240 CO -0.05 0.18 0.36 0.50 0.02 0.00 0.00 177.57 178.57 2h1n h LYS 241 N 0.31 0.60 0.19 1.57 3.64 -0.46 0.89 116.57 123.31 2h1n h LYS 241 Ca 0.09 -0.04 -0.26 0.00 -1.27 0.00 0.00 60.65 59.18 2h1n h LYS 241 Cb 0.17 -0.13 0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2h1n h LYS 241 CO -0.01 0.39 -1.17 1.15 -2.27 0.00 0.00 179.45 177.55 2h1n h THR 242 N 0.61 1.36 0.01 1.00 2.02 -0.71 -3.31 112.91 113.89 2h1n h THR 242 Ca 0.22 -2.59 -0.36 0.00 0.77 0.00 0.00 66.41 64.44 2h1n h THR 242 Cb 0.10 3.09 -0.06 0.00 -1.74 0.00 0.00 68.15 69.54 2h1n h THR 242 CO -0.06 0.76 -2.29 1.41 0.37 0.00 0.00 175.52 175.72 2h1n n HIS 243 N -3.92 0.23 0.03 3.16 8.25 -0.63 -4.57 115.22 117.76 2h1n n HIS 243 Ca -0.16 0.07 -0.20 0.00 -0.26 0.00 0.00 57.72 57.16 2h1n n HIS 243 Cb 0.96 -1.04 -0.14 0.00 1.12 0.00 0.00 29.99 30.89 2h1n n HIS 243 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2h1n h ILE 244 N 0.00 0.77 -0.38 1.59 1.08 -1.00 -3.33 117.51 116.25 2h1n h ILE 244 Ca -0.51 -2.46 0.01 0.00 -0.39 0.00 0.00 64.86 61.51 2h1n h ILE 244 Cb 2.11 2.59 -0.02 0.00 -3.07 0.00 0.00 36.82 38.44 2h1n h ILE 244 CO 0.01 0.85 0.24 0.58 -0.69 0.00 0.00 178.15 179.14 2h1n h VAL 245 N 0.07 1.08 -0.71 1.67 2.07 -1.62 0.22 116.25 119.04 2h1n h VAL 245 Ca -0.37 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 66.99 2h1n h VAL 245 Cb 2.05 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 2h1n h VAL 245 CO 0.12 0.09 0.47 -0.65 0.02 0.00 0.00 177.57 177.62 2h1n h PRO 246 N 0.49 0.91 -0.25 1.57 0.11 -1.80 -1.93 132.00 131.11 2h1n h PRO 246 Ca 0.14 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 2h1n h PRO 246 Cb -0.04 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 30.87 2h1n h PRO 246 CO -0.04 0.60 -0.21 1.25 -0.21 0.00 0.00 178.00 179.38 2h1n h LEU 247 N 0.93 0.61 -1.38 2.35 6.46 -1.35 -2.68 115.31 120.25 2h1n h LEU 247 Ca 0.27 -0.46 0.10 0.00 -0.12 0.00 0.00 57.88 57.67 2h1n h LEU 247 Cb -0.06 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.65 2h1n h LEU 247 CO -0.06 0.95 0.51 0.00 -0.62 0.00 0.00 178.44 179.21 2h1n h ALA 248 N 0.69 1.81 -0.56 1.25 0.00 -0.37 -1.32 119.26 120.77 2h1n h ALA 248 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2h1n h ALA 248 Cb 0.76 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2h1n h ALA 248 CO 0.05 0.02 0.24 0.00 0.00 0.00 0.00 179.25 179.57 2h1n h ALA 249 N 1.61 0.72 -0.46 0.00 0.00 -1.04 -1.14 119.26 118.95 2h1n h ALA 249 Ca 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2h1n h ALA 249 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2h1n h ALA 249 CO -0.14 0.31 0.24 -0.22 0.00 0.00 0.00 179.25 179.44 2h1n h LYS 250 N 0.76 0.65 -0.41 0.00 3.64 -0.97 -1.64 116.57 118.59 2h1n h LYS 250 Ca 0.19 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 2h1n h LYS 250 Cb 0.17 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2h1n h LYS 250 CO -0.02 0.53 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.34 2h1n h LEU 251 N 0.60 0.96 -1.05 5.20 3.38 -1.11 -1.05 115.31 122.24 2h1n h LEU 251 Ca 0.16 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 2h1n h LEU 251 Cb 0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2h1n h LEU 251 CO -0.02 1.18 -0.01 0.03 0.09 0.00 0.00 178.44 179.71 2h1n h ARG 252 N 0.74 0.66 -0.02 1.13 2.47 -1.18 0.66 114.38 118.83 2h1n h ARG 252 Ca 0.08 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2h1n h ARG 252 Cb 0.86 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2h1n h ARG 252 CO 0.08 0.69 0.00 1.49 0.56 0.00 0.00 179.97 182.78 2h1n h GLU 253 N 0.62 0.04 -0.82 0.04 4.57 -1.03 0.18 114.58 118.17 2h1n h GLU 253 Ca 0.13 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.44 2h1n h GLU 253 Cb 0.41 -0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.90 2h1n h GLU 253 CO 0.02 0.28 0.40 0.00 -1.18 0.00 0.00 179.01 178.53 2h1n h ARG 254 N -0.22 0.55 0.56 1.92 3.08 -0.90 -2.35 114.38 117.02 2h1n h ARG 254 Ca 0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 2h1n h ARG 254 Cb 0.27 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.20 2h1n h ARG 254 CO 0.00 0.36 -0.27 0.37 -1.07 0.00 0.00 179.97 179.36 2h1n h GLN 255 N 0.56 -0.73 -1.08 0.04 4.15 -0.46 -2.39 115.11 115.20 2h1n h GLN 255 Ca 0.45 0.05 0.31 0.00 0.77 0.00 0.00 58.65 60.23 2h1n h GLN 255 Cb 0.66 0.17 -0.12 0.00 0.21 0.00 0.00 27.48 28.40 2h1n h GLN 255 CO -0.38 -0.45 0.68 -0.09 -1.93 0.00 0.00 178.83 176.66 2h1n h ARG 256 N -0.86 0.34 -0.01 1.69 2.43 -0.28 -1.05 114.38 116.64 2h1n h ARG 256 Ca -0.08 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2h1n h ARG 256 Cb 0.62 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2h1n h ARG 256 CO 0.13 0.22 -0.07 1.96 -1.51 0.00 0.00 179.97 180.70 2h1n h GLN 257 N 0.35 0.06 0.02 0.20 4.20 -1.22 -2.75 115.11 115.97 2h1n h GLN 257 Ca 0.67 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 59.12 2h1n h GLN 257 Cb 1.71 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 2h1n h GLN 257 CO -0.41 0.76 -0.93 0.07 -0.67 0.00 0.00 178.83 177.65 2h1n h ARG 258 N -0.61 0.17 0.00 1.46 0.11 -0.80 -0.59 114.38 114.11 2h1n h ARG 258 Ca -0.01 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 59.86 2h1n h ARG 258 Cb 0.78 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.93 2h1n h ARG 258 CO 0.01 0.98 0.00 1.51 0.10 0.00 0.00 179.97 182.58 2h1n n ILE 259 N -3.60 1.00 -3.08 0.08 3.06 -0.49 -4.09 119.36 112.25 2h1n n ILE 259 Ca -0.04 0.25 -0.07 0.00 -2.50 0.00 0.00 62.75 60.39 2h1n n ILE 259 Cb 0.85 -1.03 0.01 0.00 0.54 0.00 0.00 39.64 40.00 2h1n n ILE 259 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2h1n n GLN 260 N -1.45 -1.76 -3.70 9.51 6.02 -0.23 -4.85 117.38 120.92 2h1n n GLN 260 Ca 0.04 1.66 -0.14 0.00 -0.01 0.00 0.00 57.00 58.55 2h1n n GLN 260 Cb 0.14 -5.21 -0.09 0.00 1.02 0.00 0.00 30.24 26.10 2h1n n GLN 260 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2h1n s VAL 261 N -2.77 0.00 0.01 5.09 0.11 -1.06 -5.06 120.40 116.73 2h1n s VAL 261 Ca 0.11 -0.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.88 2h1n s VAL 261 Cb -0.03 -0.69 -0.14 0.00 -1.53 0.00 0.00 36.38 33.99 2h1n s VAL 261 CO 0.78 -0.02 1.07 -0.08 -3.33 0.00 0.00 175.10 173.52 2h1n h GLU 262 N 5.17 -0.88 -6.43 1.54 4.81 -1.97 -3.44 114.58 113.38 2h1n h GLU 262 Ca -0.28 0.06 -0.68 0.00 -0.13 0.00 0.00 59.36 58.33 2h1n h GLU 262 Cb 1.17 0.20 -0.21 0.00 0.63 0.00 0.00 28.75 30.55 2h1n h GLU 262 CO 0.22 -0.59 -0.77 0.15 -0.73 0.00 0.00 179.01 177.29 2h1n s LYS 263 N -4.55 2.32 -0.88 1.92 1.02 -1.26 -5.07 119.74 113.25 2h1n s LYS 263 Ca -0.13 -0.83 -0.18 0.00 0.02 0.00 0.00 55.97 54.84 2h1n s LYS 263 Cb 0.01 -2.33 0.14 0.00 -0.52 0.00 0.00 37.83 35.13 2h1n s LYS 263 CO 0.40 0.58 1.04 -1.17 -0.92 0.00 0.00 175.35 175.28 2h1n s LEU 264 N -1.25 5.27 0.92 3.17 2.96 -1.26 -5.03 118.68 123.45 2h1n s LEU 264 Ca 0.15 -2.03 -0.13 0.00 -0.22 0.00 0.00 54.13 51.89 2h1n s LEU 264 Cb -0.11 -2.37 0.14 0.00 0.50 0.00 0.00 46.19 44.36 2h1n s LEU 264 CO 0.05 -1.02 1.16 -0.31 -1.32 0.00 0.00 176.35 174.90 2h1n s TYR 265 N 2.43 2.37 0.44 5.38 1.51 -1.26 -4.56 117.35 123.65 2h1n s TYR 265 Ca 0.29 0.77 0.15 0.00 -1.01 0.00 0.00 57.07 57.26 2h1n s TYR 265 Cb -0.07 -3.47 1.05 0.00 -0.11 0.00 0.00 41.96 39.35 2h1n s TYR 265 CO -0.07 -2.40 1.97 0.10 -1.11 0.00 0.00 175.55 174.04 2h1n h TYR 266 N -1.52 0.42 -0.00 2.71 -0.00 -1.74 0.12 116.97 116.96 2h1n h TYR 266 Ca -0.49 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 2h1n h TYR 266 Cb 1.32 -0.14 0.00 0.00 -0.00 0.00 0.00 36.73 37.91 2h1n h TYR 266 CO 0.02 0.19 -0.00 2.48 -0.00 0.00 0.00 178.16 180.85 2h1n n TYR 267 N -4.47 0.00 -0.08 0.10 0.18 -1.26 -3.30 117.16 108.33 2h1n n TYR 267 Ca 0.10 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.77 2h1n n TYR 267 Cb 0.40 -0.16 -0.15 0.00 -0.38 0.00 0.00 39.34 39.05 2h1n n TYR 267 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2h1n n ASP 268 N -1.16 0.57 -0.29 9.48 8.00 0.36 -4.61 116.55 128.90 2h1n n ASP 268 Ca 0.19 0.08 0.06 0.00 0.71 0.00 0.00 54.79 55.83 2h1n n ASP 268 Cb 0.18 0.48 0.17 0.00 -0.02 0.00 0.00 41.12 41.94 2h1n n ASP 268 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2h1n h GLU 269 N 0.00 0.05 0.00 -1.24 5.08 -1.44 0.30 114.58 117.33 2h1n h GLU 269 Ca -0.49 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2h1n h GLU 269 Cb 2.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.38 2h1n h GLU 269 CO 0.03 0.03 0.00 -0.35 -1.00 0.00 0.00 179.01 177.72 2h1n n PRO 270 N -5.44 0.65 -4.08 2.33 -0.04 -1.26 -5.11 135.00 122.05 2h1n n PRO 270 Ca 0.15 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 2h1n n PRO 270 Cb 0.52 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 2h1n n PRO 270 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2h1n s PHE 271 N -2.00 3.19 0.35 0.54 5.36 0.10 -4.83 117.98 120.69 2h1n s PHE 271 Ca 0.28 -0.07 -0.24 0.00 -0.96 0.00 0.00 56.93 55.94 2h1n s PHE 271 Cb 0.13 -1.46 -0.14 0.00 -0.34 0.00 0.00 43.02 41.20 2h1n s PHE 271 CO 0.21 0.51 0.50 1.19 -1.46 0.00 0.00 175.22 176.17 2h1n n PHE 273 N -1.02 -0.63 0.14 10.12 3.01 -1.26 -4.91 117.46 122.91 2h1n n PHE 273 Ca -0.08 0.70 0.04 0.00 1.01 0.00 0.00 57.45 59.12 2h1n n PHE 273 Cb 0.57 -1.97 0.44 0.00 -0.01 0.00 0.00 39.48 38.51 2h1n n PHE 273 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2h1n h PRO 274 N 0.88 0.20 0.00 -1.08 0.13 -1.89 -0.95 132.00 129.30 2h1n h PRO 274 Ca -0.37 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2h1n h PRO 274 Cb 1.41 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2h1n h PRO 274 CO 0.53 0.30 0.00 0.25 -0.23 0.00 0.00 178.00 178.85 2h1n n THR 275 N -4.33 0.36 0.00 1.56 -2.24 -1.26 -4.99 114.28 103.38 2h1n n THR 275 Ca -0.01 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2h1n n THR 275 Cb 0.22 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2h1n n THR 275 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h1n n GLY 276 N 0.68 3.12 3.75 3.38 0.00 -0.36 -5.05 105.19 110.71 2h1n n GLY 276 Ca 0.09 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 2h1n n GLY 276 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2h1n s ASN 277 N 0.00 5.28 0.25 1.61 -0.87 -1.26 -4.61 114.94 115.33 2h1n s ASN 277 Ca 0.00 2.73 -0.31 0.00 -1.57 0.00 0.00 52.86 53.71 2h1n s ASN 277 Cb 0.00 -2.63 -0.12 0.00 -0.02 0.00 0.00 41.25 38.47 2h1n s ASN 277 CO 0.00 -1.56 1.58 -0.81 -2.57 0.00 0.00 177.10 173.74 2h1n n PRO 278 N -1.06 2.50 -4.35 -0.60 -0.04 -1.26 -4.97 135.00 125.22 2h1n n PRO 278 Ca 0.11 0.89 -0.23 0.00 -0.04 0.00 0.00 63.50 64.23 2h1n n PRO 278 Cb 0.45 -2.66 -0.13 0.00 -0.04 0.00 0.00 33.50 31.13 2h1n n PRO 278 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2h1n s THR 279 N 0.36 1.55 0.44 0.52 -4.23 -1.26 -3.18 115.64 109.83 2h1n s THR 279 Ca 0.69 -1.38 -0.26 0.00 -1.18 0.00 0.00 61.69 59.57 2h1n s THR 279 Cb -0.56 -1.40 -0.09 0.00 1.34 0.00 0.00 72.50 71.79 2h1n s THR 279 CO 0.44 -0.02 1.42 -2.65 -0.54 0.00 0.00 174.62 173.27 2h1n n PRO 280 N 1.36 2.28 -0.85 3.99 -0.02 -1.26 -4.70 135.00 135.80 2h1n n PRO 280 Ca -0.19 0.81 -0.17 0.00 -2.02 0.00 0.00 63.50 61.93 2h1n n PRO 280 Cb 0.54 -2.61 0.08 0.00 -0.02 0.00 0.00 33.50 31.49 2h1n n PRO 280 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2h1n n LYS 281 N -0.07 1.87 0.00 -0.52 4.76 -0.59 -4.92 118.16 118.68 2h1n n LYS 281 Ca 0.05 -1.89 0.00 0.00 -2.87 0.00 0.00 58.31 53.60 2h1n n LYS 281 Cb 0.41 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 2h1n n LYS 281 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2h1n n GLY 282 N -0.27 0.67 1.83 0.72 0.00 -1.26 -5.08 105.19 101.79 2h1n n GLY 282 Ca 0.37 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 2h1n n GLY 282 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2h1n n ASP 283 N 0.00 -1.24 -0.20 1.61 5.68 -1.26 -4.52 116.55 116.61 2h1n n ASP 283 Ca 0.00 -0.92 -0.03 0.00 -0.50 0.00 0.00 54.79 53.34 2h1n n ASP 283 Cb 0.00 -0.51 0.07 0.00 -1.14 0.00 0.00 41.12 39.54 2h1n n ASP 283 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2h1n h ALA 284 N -2.28 0.77 -0.43 2.12 0.00 -2.00 0.11 119.26 117.55 2h1n h ALA 284 Ca -0.21 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2h1n h ALA 284 Cb 0.63 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2h1n h ALA 284 CO 0.14 -0.01 0.21 -0.44 0.00 0.00 0.00 179.25 179.15 2h1n h ASP 285 N 0.61 0.30 -0.44 0.00 3.32 -1.99 -1.07 116.42 117.15 2h1n h ASP 285 Ca 0.26 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 2h1n h ASP 285 Cb 0.15 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2h1n h ASP 285 CO -0.16 0.22 0.27 -0.25 -1.72 0.00 0.00 179.24 177.59 2h1n h TRP 286 N 0.42 0.59 -0.19 4.55 7.01 -1.68 -0.11 115.95 126.54 2h1n h TRP 286 Ca 0.19 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.22 2h1n h TRP 286 Cb 0.10 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.94 2h1n h TRP 286 CO -0.11 0.41 -0.01 0.82 -2.79 0.00 0.00 178.44 176.77 2h1n h ILE 287 N 0.59 0.86 -0.64 2.65 2.04 -0.70 -1.80 117.51 120.51 2h1n h ILE 287 Ca 0.16 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 2h1n h ILE 287 Cb -0.00 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2h1n h ILE 287 CO -0.03 0.01 0.33 0.58 0.00 0.00 0.00 178.15 179.04 2h1n h VAL 288 N 0.05 1.21 -0.10 1.67 2.07 -0.84 0.15 116.25 120.46 2h1n h VAL 288 Ca 0.09 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2h1n h VAL 288 Cb 0.11 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2h1n h VAL 288 CO -0.16 0.24 0.02 1.56 0.02 0.00 0.00 177.57 179.25 2h1n h GLN 289 N 0.87 0.06 -0.26 1.57 1.08 -0.83 0.16 115.11 117.76 2h1n h GLN 289 Ca 0.22 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 2h1n h GLN 289 Cb 0.07 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2h1n h GLN 289 CO -0.03 0.04 0.07 -0.91 -0.95 0.00 0.00 178.83 177.05 2h1n h ASN 290 N 0.06 0.33 -0.73 1.46 2.35 -1.07 -1.76 115.58 116.22 2h1n h ASN 290 Ca 0.05 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 2h1n h ASN 290 Cb 0.04 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2h1n h ASN 290 CO -0.06 0.33 0.22 1.23 -1.65 0.00 0.00 177.43 177.50 2h1n h GLY 291 N 0.56 1.23 0.93 2.83 0.00 0.19 -2.90 103.07 105.91 2h1n h GLY 291 Ca 0.09 -0.74 0.02 0.00 0.00 0.00 0.00 47.33 46.70 2h1n h GLY 291 CO -0.01 0.69 0.44 -0.09 0.00 0.00 0.00 176.54 177.58 2h1n h ARG 292 N 1.10 0.85 -1.13 4.80 2.43 0.14 -1.97 114.38 120.60 2h1n h ARG 292 Ca 0.24 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2h1n h ARG 292 Cb 0.32 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2h1n h ARG 292 CO -0.01 0.56 0.00 0.94 -1.51 0.00 0.00 179.97 179.96 2h1n n GLN 293 N -4.65 0.45 0.00 0.20 7.27 -0.89 -2.47 117.38 117.29 2h1n n GLN 293 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 2h1n n GLN 293 Cb 0.06 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 31.45 2h1n n GLN 293 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2h1n n TYR 295 N 0.58 0.00 -0.10 3.69 0.53 -0.74 -1.23 117.16 119.90 2h1n n TYR 295 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.76 2h1n n TYR 295 Cb 0.18 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.45 2h1n n TYR 295 CO 0.00 0.00 0.00 0.93 -1.02 0.00 0.00 176.86 176.77 2h1n h GLU 296 N 0.00 0.59 -0.02 -0.72 5.08 -1.72 -1.75 114.58 116.05 2h1n h GLU 296 Ca 0.00 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 2h1n h GLU 296 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2h1n h GLU 296 CO 0.00 0.83 -0.53 0.93 -1.00 0.00 0.00 179.01 179.24 2h1n h GLU 297 N 0.34 0.07 0.42 2.33 5.08 -1.45 -3.32 114.58 118.05 2h1n h GLU 297 Ca 0.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2h1n h GLU 297 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2h1n h GLU 297 CO 0.04 0.58 -0.20 1.25 -1.00 0.00 0.00 179.01 179.68 2h1n h LEU 298 N 0.05 -0.48 -7.08 1.33 6.46 -1.81 -3.47 115.31 110.30 2h1n h LEU 298 Ca -0.00 -0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 57.59 2h1n h LEU 298 Cb 0.96 0.12 -0.18 0.00 -0.73 0.00 0.00 40.66 40.83 2h1n h LEU 298 CO 0.07 -0.12 0.12 -0.94 -0.62 0.00 0.00 178.44 176.95 2h1n s SER 299 N -4.89 -0.57 0.40 1.25 1.04 -1.18 -5.04 113.70 104.70 2h1n s SER 299 Ca -0.14 0.53 0.06 0.00 0.48 0.00 0.00 55.95 56.88 2h1n s SER 299 Cb 0.02 0.51 0.81 0.00 0.10 0.00 0.00 66.02 67.47 2h1n s SER 299 CO 0.51 -0.63 2.04 1.55 0.98 0.00 0.00 173.24 177.69 2h1n h PRO 300 N 3.00 0.60 -0.28 4.02 0.13 -1.84 -1.52 132.00 136.12 2h1n h PRO 300 Ca -0.28 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.70 2h1n h PRO 300 Cb 1.17 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2h1n h PRO 300 CO 0.39 0.40 -0.25 1.05 -0.23 0.00 0.00 178.00 179.36 2h1n h GLU 301 N 0.62 0.66 0.00 0.86 9.09 -1.95 -1.72 114.58 122.14 2h1n h GLU 301 Ca 0.18 -0.34 -0.09 0.00 0.05 0.00 0.00 59.36 59.16 2h1n h GLU 301 Cb -0.04 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.06 2h1n h GLU 301 CO -0.04 0.94 -0.45 1.79 0.05 0.00 0.00 179.01 181.31 2h1n h THR 302 N 0.39 1.19 0.49 -1.06 1.35 -1.74 -1.42 112.91 112.12 2h1n h THR 302 Ca 0.05 -1.60 -0.02 0.00 -0.55 0.00 0.00 66.41 64.29 2h1n h THR 302 Cb 0.81 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2h1n h THR 302 CO 0.06 0.44 -0.24 1.23 -0.25 0.00 0.00 175.52 176.77 2h1n h GLY 303 N 1.60 -0.69 0.33 5.82 0.00 -0.34 -0.59 103.07 109.20 2h1n h GLY 303 Ca -0.00 0.25 0.08 0.00 0.00 0.00 0.00 47.33 47.66 2h1n h GLY 303 CO 0.06 -0.25 0.06 0.83 0.00 0.00 0.00 176.54 177.23 2h1n h GLU 304 N -0.81 0.17 0.17 4.80 5.08 -1.25 -2.02 114.58 120.71 2h1n h GLU 304 Ca -0.07 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2h1n h GLU 304 Cb 0.57 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 2h1n h GLU 304 CO 0.11 0.12 -0.33 0.35 -1.00 0.00 0.00 179.01 178.25 2h1n h PHE 305 N 0.18 -0.91 -0.01 4.33 3.57 -1.19 -1.84 116.94 121.07 2h1n h PHE 305 Ca 0.24 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.60 2h1n h PHE 305 Cb 0.33 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2h1n h PHE 305 CO -0.25 -0.45 -0.70 0.35 -2.23 0.00 0.00 178.31 175.03 2h1n h PHE 306 N -0.59 0.07 0.00 0.41 3.57 -0.97 -1.88 116.94 117.55 2h1n h PHE 306 Ca 0.02 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 2h1n h PHE 306 Cb 0.60 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2h1n h PHE 306 CO -0.27 0.74 -0.39 -0.09 -2.23 0.00 0.00 178.31 176.06 2h1n h ARG 307 N 0.03 0.00 -1.16 1.11 2.43 -1.35 -2.07 114.38 113.38 2h1n h ARG 307 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2h1n h ARG 307 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2h1n h ARG 307 CO 0.10 0.39 0.00 0.98 -1.51 0.00 0.00 179.97 179.93 2h1n n TYR 308 N -3.97 0.00 0.00 2.20 9.36 -0.70 -2.14 117.16 121.91 2h1n n TYR 308 Ca -0.02 -0.09 0.00 0.00 3.32 0.00 0.00 57.90 61.11 2h1n n TYR 308 Cb 0.44 -0.10 0.00 0.00 -0.63 0.00 0.00 39.34 39.05 2h1n n TYR 308 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2h1n n VAL 310 N 0.66 0.00 0.13 2.97 0.31 -0.78 -2.52 118.33 119.09 2h1n n VAL 310 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2h1n n VAL 310 Cb 0.12 0.00 0.35 0.00 -0.91 0.00 0.00 33.84 33.40 2h1n n VAL 310 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2h1n h GLU 311 N 0.00 0.19 -0.14 5.55 5.08 -1.70 -1.91 114.58 121.65 2h1n h GLU 311 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2h1n h GLU 311 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2h1n h GLU 311 CO 0.00 0.42 0.00 0.72 -1.00 0.00 0.00 179.01 179.15 2h1n n HIS 312 N -4.20 0.17 -3.81 4.33 8.25 -1.05 -4.72 115.22 114.19 2h1n n HIS 312 Ca -0.01 -0.08 -0.27 0.00 -0.26 0.00 0.00 57.72 57.10 2h1n n HIS 312 Cb 0.33 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.45 2h1n n HIS 312 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2h1n n GLU 313 N 0.59 -2.89 -2.85 -0.41 1.02 -0.72 -1.40 120.64 113.98 2h1n n GLU 313 Ca 0.17 0.46 -0.43 0.00 -0.02 0.00 0.00 57.16 57.34 2h1n n GLU 313 Cb 0.41 -4.51 0.00 0.00 -0.02 0.00 0.00 31.44 27.33 2h1n n GLU 313 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2h1n n LEU 314 N -4.30 6.09 -3.42 -4.62 4.77 -1.26 -4.25 117.00 110.01 2h1n n LEU 314 Ca -0.24 -4.85 -0.15 0.00 -0.03 0.00 0.00 56.01 50.74 2h1n n LEU 314 Cb 0.65 -1.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.19 2h1n n LEU 314 CO 0.71 1.33 -0.15 -0.62 -1.33 0.00 0.00 177.39 177.34 2h1n s ASP 316 N 0.56 1.15 -0.13 -1.43 -1.08 -0.28 -1.37 116.67 114.10 2h1n s ASP 316 Ca 0.36 -0.30 0.17 0.00 -0.52 0.00 0.00 52.55 52.26 2h1n s ASP 316 Cb 0.02 0.64 -0.24 0.00 -1.46 0.00 0.00 42.92 41.88 2h1n s ASP 316 CO 0.02 -0.34 0.17 0.18 0.52 0.00 0.00 175.17 175.72 2h1n n LEU 317 N 5.33 0.00 -4.83 -1.34 4.77 -1.26 -2.10 117.00 117.57 2h1n n LEU 317 Ca -0.04 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.57 2h1n n LEU 317 Cb 0.49 0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.81 2h1n n LEU 317 CO 0.05 0.30 0.20 -0.69 -1.33 0.00 0.00 177.39 175.91 2h1n s VAL 318 N -2.71 4.89 0.21 4.08 1.01 -1.25 0.03 120.40 126.66 2h1n s VAL 318 Ca -0.08 0.91 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 2h1n s VAL 318 Cb 0.07 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 2h1n s VAL 318 CO 0.75 0.43 1.52 0.00 0.00 0.00 0.00 175.10 177.80 2h1n s ALA 319 N -1.25 3.72 0.04 5.51 0.00 -0.77 -4.56 121.76 124.44 2h1n s ALA 319 Ca 0.31 1.38 -0.02 0.00 0.00 0.00 0.00 51.96 53.63 2h1n s ALA 319 Cb -0.17 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 2h1n s ALA 319 CO 0.17 -0.79 -0.00 0.15 0.00 0.00 0.00 175.76 175.30 2h1n s LYS 320 N 0.41 0.50 -0.21 0.00 1.02 -1.26 -4.92 119.74 115.27 2h1n s LYS 320 Ca 0.65 -0.90 -0.40 0.00 0.02 0.00 0.00 55.97 55.34 2h1n s LYS 320 Cb -0.43 0.18 -0.17 0.00 -0.52 0.00 0.00 37.83 36.88 2h1n s LYS 320 CO 0.37 -0.10 1.58 1.17 -0.92 0.00 0.00 175.35 177.46 2h1n n LYS 321 N 0.80 0.89 -0.99 1.68 3.00 -1.26 -1.34 118.16 120.93 2h1n n LYS 321 Ca -0.19 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2h1n n LYS 321 Cb 0.58 -1.96 0.00 0.00 0.00 0.00 0.00 35.03 33.66 2h1n n LYS 321 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2h1n n GLY 322 N 3.60 0.87 3.76 3.14 0.00 -1.25 -4.88 105.19 110.44 2h1n n GLY 322 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 2h1n n GLY 322 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h1n s LYS 323 N -0.02 4.70 0.78 1.61 2.20 -0.45 -1.81 119.74 126.76 2h1n s LYS 323 Ca 0.00 1.47 -0.14 0.00 -0.36 0.00 0.00 55.97 56.94 2h1n s LYS 323 Cb 0.00 -3.07 0.07 0.00 -1.51 0.00 0.00 37.83 33.32 2h1n s LYS 323 CO 0.00 0.37 1.21 0.00 -0.36 0.00 0.00 175.35 176.57 2h1n n ALA 324 N 1.05 0.17 -1.92 3.13 0.00 -0.03 -4.55 120.51 118.35 2h1n n ALA 324 Ca -0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 52.88 2h1n n ALA 324 Cb 0.48 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 17.74 2h1n n ALA 324 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2h1n s GLY 325 N -1.99 1.63 0.00 0.00 0.00 -1.26 -4.93 107.32 100.77 2h1n s GLY 325 Ca 0.75 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.80 2h1n s GLY 325 CO 0.49 -0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.95 2h1n n GLY 326 N -3.07 -1.87 2.96 0.20 0.00 -1.26 -4.98 105.19 97.17 2h1n n GLY 326 Ca 0.07 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 2h1n n GLY 326 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h1n s GLY 327 N -0.48 0.13 0.21 -0.02 0.00 -1.26 -3.50 107.32 102.40 2h1n s GLY 327 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.37 2h1n s GLY 327 CO 0.00 -0.37 0.34 1.58 0.00 0.00 0.00 173.10 174.65 2h1n n TYR 328 N 2.14 -1.32 -3.32 1.90 0.18 -0.45 -4.97 117.16 111.31 2h1n n TYR 328 Ca -0.19 -1.20 -0.07 0.00 1.88 0.00 0.00 57.90 58.32 2h1n n TYR 328 Cb 0.57 0.39 -0.07 0.00 -0.38 0.00 0.00 39.34 39.85 2h1n n TYR 328 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2h1n n THR 330 N 5.37 0.00 -4.39 0.00 -2.24 -1.17 -4.91 114.28 106.94 2h1n n THR 330 Ca -0.03 -1.06 -0.23 0.00 -2.27 0.00 0.00 64.05 60.46 2h1n n THR 330 Cb 0.50 -0.10 -0.17 0.00 -2.10 0.00 0.00 70.33 68.47 2h1n n THR 330 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2h1n s TYR 331 N -1.48 1.22 -0.52 4.78 5.04 -1.26 -1.46 117.35 123.66 2h1n s TYR 331 Ca 0.09 -0.44 -0.17 0.00 -2.44 0.00 0.00 57.07 54.11 2h1n s TYR 331 Cb -0.01 -0.94 0.09 0.00 0.35 0.00 0.00 41.96 41.45 2h1n s TYR 331 CO 0.06 -0.27 0.53 0.42 -1.34 0.00 0.00 175.55 174.95 2h1n s ILE 332 N 0.83 5.07 0.09 3.14 1.01 -0.14 -4.86 121.20 126.35 2h1n s ILE 332 Ca -0.12 -1.04 -0.29 0.00 0.00 0.00 0.00 60.65 59.20 2h1n s ILE 332 Cb -0.15 -4.29 -0.14 0.00 0.01 0.00 0.00 42.46 37.89 2h1n s ILE 332 CO 0.02 -0.81 1.64 0.44 0.00 0.00 0.00 174.94 176.23 2h1n h ASP 333 N 8.92 -0.68 0.29 3.58 3.32 -1.86 -1.39 116.42 128.61 2h1n h ASP 333 Ca -0.29 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 2h1n h ASP 333 Cb 1.10 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 2h1n h ASP 333 CO 0.98 -0.40 -0.15 0.44 -1.72 0.00 0.00 179.24 178.39 2h1n h ASP 334 N -0.61 0.00 -0.08 6.45 5.19 -1.94 0.72 116.42 126.15 2h1n h ASP 334 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2h1n h ASP 334 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2h1n h ASP 334 CO -0.00 0.15 0.00 -1.22 -3.12 0.00 0.00 179.24 175.05 2h1n n TYR 335 N -3.89 0.08 -3.82 4.55 4.02 -1.09 -4.97 117.16 112.03 2h1n n TYR 335 Ca -0.02 -0.04 -0.25 0.00 -0.01 0.00 0.00 57.90 57.57 2h1n n TYR 335 Cb 0.24 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.59 2h1n n TYR 335 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2h1n n LYS 336 N 0.81 -4.91 -3.70 -0.72 5.02 0.24 -4.96 118.16 109.95 2h1n n LYS 336 Ca 0.17 0.58 -0.23 0.00 -2.02 0.00 0.00 58.31 56.80 2h1n n LYS 336 Cb 0.48 -5.22 -0.17 0.00 -0.02 0.00 0.00 35.03 30.10 2h1n n LYS 336 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h1n s ALA 337 N -3.56 0.55 0.67 7.82 0.00 -1.05 -4.99 121.76 121.19 2h1n s ALA 337 Ca 0.26 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 2h1n s ALA 337 Cb -0.13 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 2h1n s ALA 337 CO 0.83 -0.72 1.06 -2.14 0.00 0.00 0.00 175.76 174.78 2h1n s PRO 338 N 2.05 3.03 -0.02 0.00 0.02 -1.26 -0.97 135.00 137.85 2h1n s PRO 338 Ca 0.03 1.01 0.02 0.00 0.02 0.00 0.00 61.00 62.08 2h1n s PRO 338 Cb -0.14 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2h1n s PRO 338 CO -0.06 -1.03 -0.07 0.12 -0.33 0.00 0.00 177.00 175.64 2h1n s PHE 339 N -2.91 0.75 -0.21 6.54 5.36 -0.53 -4.83 117.98 122.14 2h1n s PHE 339 Ca 0.59 -0.17 -0.07 0.00 -0.96 0.00 0.00 56.93 56.33 2h1n s PHE 339 Cb -0.14 -0.55 -0.03 0.00 -0.34 0.00 0.00 43.02 41.96 2h1n s PHE 339 CO 0.51 -0.08 0.04 0.42 -1.46 0.00 0.00 175.22 174.65 2h1n s ILE 340 N 0.19 4.32 -0.08 3.12 1.01 -0.47 -3.05 121.20 126.24 2h1n s ILE 340 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.48 2h1n s ILE 340 Cb -0.07 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2h1n s ILE 340 CO 0.00 0.40 -0.19 0.12 0.00 0.00 0.00 174.94 175.27 2h1n s PHE 341 N 1.06 2.60 0.20 3.97 5.36 -0.77 -1.12 117.98 129.28 2h1n s PHE 341 Ca 0.03 -0.58 -0.23 0.00 -0.96 0.00 0.00 56.93 55.19 2h1n s PHE 341 Cb -0.14 -1.68 0.05 0.00 -0.34 0.00 0.00 43.02 40.91 2h1n s PHE 341 CO 0.03 -0.13 0.78 -1.54 -1.46 0.00 0.00 175.22 172.90 2h1n s SER 342 N -0.14 -0.29 -0.73 6.13 1.04 -0.89 -1.34 113.70 117.47 2h1n s SER 342 Ca -0.03 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.03 2h1n s SER 342 Cb -0.14 0.62 0.18 0.00 0.10 0.00 0.00 66.02 66.77 2h1n s SER 342 CO 0.04 -1.11 0.53 0.20 0.98 0.00 0.00 173.24 173.88 2h1n s ASN 343 N -2.87 5.00 0.19 7.02 0.01 -1.21 -3.84 114.94 119.24 2h1n s ASN 343 Ca 0.09 -3.81 -0.31 0.00 -0.71 0.00 0.00 52.86 48.12 2h1n s ASN 343 Cb -0.04 -1.68 -0.10 0.00 0.41 0.00 0.00 41.25 39.84 2h1n s ASN 343 CO 0.01 -0.10 1.54 -0.36 -1.51 0.00 0.00 177.10 176.68 2h1n s PHE 344 N -1.40 3.04 0.00 2.20 0.40 0.10 -4.40 117.98 117.93 2h1n s PHE 344 Ca 0.25 0.71 0.00 0.00 -0.60 0.00 0.00 56.93 57.29 2h1n s PHE 344 Cb -0.06 -3.91 0.00 0.00 0.51 0.00 0.00 43.02 39.56 2h1n s PHE 344 CO -0.15 -3.28 0.29 0.25 0.70 0.00 0.00 175.22 173.03 2h1n n THR 345 N 3.58 0.00 -0.13 0.64 -2.24 -1.26 -1.85 114.28 113.02 2h1n n THR 345 Ca 0.12 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2h1n n THR 345 Cb 0.39 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 2h1n n THR 345 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h1n n GLY 346 N 0.27 0.85 3.95 3.38 0.00 -1.26 -4.76 105.19 107.61 2h1n n GLY 346 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2h1n n GLY 346 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2h1n s THR 347 N -2.06 2.06 0.34 2.61 -4.23 -1.26 -4.43 115.64 108.66 2h1n s THR 347 Ca 0.00 -1.27 0.38 0.00 -1.18 0.00 0.00 61.69 59.62 2h1n s THR 347 Cb 0.00 -2.33 0.40 0.00 1.34 0.00 0.00 72.50 71.90 2h1n s THR 347 CO 0.00 0.00 2.14 0.77 -0.54 0.00 0.00 174.62 176.99 2h1n h SER 348 N 0.60 0.00 -0.46 3.99 4.64 -1.91 -2.11 113.55 118.29 2h1n h SER 348 Ca -0.35 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.05 2h1n h SER 348 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 2h1n h SER 348 CO 0.51 0.00 0.31 1.23 -0.87 0.00 0.00 176.83 178.01 2h1n h GLY 349 N 0.79 0.37 -0.16 -0.77 0.00 -1.94 -2.01 103.07 99.35 2h1n h GLY 349 Ca 0.00 -0.11 0.11 0.00 0.00 0.00 0.00 47.33 47.33 2h1n h GLY 349 CO 0.00 0.08 -0.18 -0.55 0.00 0.00 0.00 176.54 175.89 2h1n h ASP 350 N 0.28 -0.63 -0.11 0.19 5.19 -1.72 -1.33 116.42 118.28 2h1n h ASP 350 Ca 0.21 0.18 -0.15 0.00 -0.62 0.00 0.00 57.03 56.65 2h1n h ASP 350 Cb 0.46 0.38 0.01 0.00 0.18 0.00 0.00 39.33 40.36 2h1n h ASP 350 CO -0.04 -0.21 -0.51 0.40 -3.12 0.00 0.00 179.24 175.76 2h1n h ILE 351 N -0.04 1.36 -0.97 0.35 5.03 -1.58 -2.12 117.51 119.53 2h1n h ILE 351 Ca 0.26 -1.82 0.15 0.00 -0.12 0.00 0.00 64.86 63.33 2h1n h ILE 351 Cb 0.44 2.16 -0.16 0.00 -3.03 0.00 0.00 36.82 36.24 2h1n h ILE 351 CO -0.58 0.55 -0.39 0.44 -0.68 0.00 0.00 178.15 177.49 2h1n h ASP 352 N 0.15 -1.42 -0.13 1.72 5.19 -1.17 -1.40 116.42 119.36 2h1n h ASP 352 Ca -0.03 0.31 -0.19 0.00 -0.62 0.00 0.00 57.03 56.50 2h1n h ASP 352 Cb 1.15 0.75 0.01 0.00 0.18 0.00 0.00 39.33 41.41 2h1n h ASP 352 CO 0.11 -0.29 -0.66 0.58 -3.12 0.00 0.00 179.24 175.86 2h1n h VAL 353 N -0.01 1.32 0.34 -1.35 2.07 -1.18 -2.38 116.25 115.07 2h1n h VAL 353 Ca 0.34 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2h1n h VAL 353 Cb 0.60 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2h1n h VAL 353 CO -0.97 0.59 -0.25 0.25 0.02 0.00 0.00 177.57 177.21 2h1n h LEU 354 N 0.35 -0.66 -1.44 2.57 5.85 -0.72 0.28 115.31 121.55 2h1n h LEU 354 Ca -0.05 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2h1n h LEU 354 Cb 1.29 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 2h1n h LEU 354 CO 0.14 -0.39 -0.14 0.71 -0.34 0.00 0.00 178.44 178.42 2h1n h THR 355 N -0.59 1.17 0.67 1.05 1.35 -1.36 0.40 112.91 115.59 2h1n h THR 355 Ca -0.03 -0.76 -0.03 0.00 -0.55 0.00 0.00 66.41 65.04 2h1n h THR 355 Cb 0.51 1.23 0.01 0.00 -1.73 0.00 0.00 68.15 68.17 2h1n h THR 355 CO 0.00 0.23 -0.32 -0.74 -0.25 0.00 0.00 175.52 174.44 2h1n h HIS 356 N 0.19 -0.83 -0.30 4.73 -0.00 -0.85 -2.76 115.15 115.33 2h1n h HIS 356 Ca 0.04 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.33 2h1n h HIS 356 Cb 0.36 0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 2h1n h HIS 356 CO 0.00 -0.52 -0.05 0.93 -0.00 0.00 0.00 177.93 178.30 2h1n h GLU 357 N -1.18 0.48 -0.61 5.26 4.39 -0.26 -1.38 114.58 121.28 2h1n h GLU 357 Ca -0.09 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2h1n h GLU 357 Cb 0.69 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 2h1n h GLU 357 CO 0.15 0.54 0.39 0.00 -1.16 0.00 0.00 179.01 178.93 2h1n h ALA 358 N 1.50 1.54 -0.38 3.43 0.00 -0.28 -0.49 119.26 124.59 2h1n h ALA 358 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2h1n h ALA 358 Cb 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2h1n h ALA 358 CO 0.02 0.42 0.24 0.78 0.00 0.00 0.00 179.25 180.71 2h1n h GLY 359 N 0.84 0.53 0.91 0.00 0.00 -0.94 0.21 103.07 104.62 2h1n h GLY 359 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2h1n h GLY 359 CO -0.05 0.20 -0.11 0.45 0.00 0.00 0.00 176.54 177.04 2h1n h HIS 360 N 0.51 -0.27 -0.69 5.60 -0.00 -1.23 -2.11 115.15 116.96 2h1n h HIS 360 Ca 0.14 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2h1n h HIS 360 Cb -0.05 0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 2h1n h HIS 360 CO -0.05 -0.17 0.44 0.00 -0.00 0.00 0.00 177.93 178.16 2h1n h ALA 361 N 0.60 1.48 -0.44 2.45 0.00 -0.96 -1.12 119.26 121.27 2h1n h ALA 361 Ca -0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2h1n h ALA 361 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2h1n h ALA 361 CO -0.01 0.47 -0.02 0.35 0.00 0.00 0.00 179.25 180.05 2h1n h PHE 362 N 0.94 0.87 0.21 0.00 3.57 -0.40 -0.46 116.94 121.67 2h1n h PHE 362 Ca 0.25 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2h1n h PHE 362 Cb -0.08 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2h1n h PHE 362 CO 0.00 0.85 -0.10 0.37 -2.23 0.00 0.00 178.31 177.20 2h1n h GLN 363 N 0.63 -0.28 -0.60 1.11 -0.00 -0.70 -1.09 115.11 114.19 2h1n h GLN 363 Ca 0.12 0.02 0.12 0.00 -0.00 0.00 0.00 58.65 58.91 2h1n h GLN 363 Cb 0.52 0.06 -0.09 0.00 0.00 0.00 0.00 27.48 27.97 2h1n h GLN 363 CO 0.03 -0.00 0.06 0.28 0.00 0.00 0.00 178.83 179.19 2h1n h VAL 364 N -0.54 0.56 -0.45 2.39 2.07 -1.21 -0.77 116.25 118.29 2h1n h VAL 364 Ca -0.03 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2h1n h VAL 364 Cb 0.40 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2h1n h VAL 364 CO 0.05 0.03 0.23 0.22 0.02 0.00 0.00 177.57 178.12 2h1n h TYR 365 N 0.17 0.42 0.00 1.57 3.20 -0.96 -1.57 116.97 119.80 2h1n h TYR 365 Ca 0.31 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2h1n h TYR 365 Cb 0.49 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2h1n h TYR 365 CO -0.31 0.21 0.00 0.39 -1.64 0.00 0.00 178.16 176.81 2h1n n GLU 366 N -4.90 0.67 -0.05 1.82 -0.58 -0.42 -3.09 120.64 114.08 2h1n n GLU 366 Ca 0.03 0.01 0.02 0.00 -0.42 0.00 0.00 57.16 56.80 2h1n n GLU 366 Cb 0.12 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.53 2h1n n GLU 366 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2h1n n SER 367 N -1.12 2.25 0.00 1.62 7.64 -0.42 -4.63 113.62 118.96 2h1n n SER 367 Ca 0.17 -1.97 0.13 0.00 1.01 0.00 0.00 58.87 58.22 2h1n n SER 367 Cb 0.15 -0.07 0.59 0.00 -1.01 0.00 0.00 64.21 63.87 2h1n n SER 367 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2h1n n ARG 368 N -0.17 0.02 0.05 1.43 1.85 -0.86 -3.02 116.66 115.96 2h1n n ARG 368 Ca 0.04 0.03 0.08 0.00 -1.00 0.00 0.00 57.85 56.99 2h1n n ARG 368 Cb 0.30 -1.50 0.36 0.00 -1.05 0.00 0.00 32.46 30.57 2h1n n ARG 368 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2h1n n HIS 369 N -1.49 0.32 -2.15 2.89 1.44 -1.26 -4.82 115.22 110.15 2h1n n HIS 369 Ca 0.07 0.13 -0.42 0.00 -2.01 0.00 0.00 57.72 55.49 2h1n n HIS 369 Cb 0.32 -0.71 -0.03 0.00 0.12 0.00 0.00 29.99 29.69 2h1n n HIS 369 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2h1n s TYR 370 N -3.14 3.19 -1.00 -1.40 1.51 -1.17 -4.92 117.35 110.43 2h1n s TYR 370 Ca 0.05 0.90 0.23 0.00 -1.01 0.00 0.00 57.07 57.24 2h1n s TYR 370 Cb 0.08 -3.71 0.98 0.00 -0.11 0.00 0.00 41.96 39.21 2h1n s TYR 370 CO 0.28 -2.51 1.74 -0.40 -1.11 0.00 0.00 175.55 173.55 2h1n n ASP 371 N 4.06 0.00 -4.53 2.29 5.75 -1.26 -4.70 116.55 118.17 2h1n n ASP 371 Ca 0.12 0.50 -0.32 0.00 -0.01 0.00 0.00 54.79 55.08 2h1n n ASP 371 Cb 0.42 -0.50 -0.12 0.00 -1.03 0.00 0.00 41.12 39.89 2h1n n ASP 371 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2h1n s ILE 372 N -3.00 3.25 0.32 2.12 -4.36 -1.26 -5.01 121.20 113.26 2h1n s ILE 372 Ca 0.11 -0.88 0.04 0.00 -0.26 0.00 0.00 60.65 59.66 2h1n s ILE 372 Cb 0.15 -2.37 0.14 0.00 1.25 0.00 0.00 42.46 41.63 2h1n s ILE 372 CO 0.42 0.43 1.84 -0.65 0.24 0.00 0.00 174.94 177.22 2h1n h PRO 373 N 4.73 0.51 -0.39 0.37 0.11 -1.94 -2.98 132.00 132.41 2h1n h PRO 373 Ca -0.48 -0.13 0.03 0.00 0.11 0.00 0.00 66.00 65.53 2h1n h PRO 373 Cb 1.16 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2h1n h PRO 373 CO 0.51 0.58 0.26 0.93 -0.21 0.00 0.00 178.00 180.08 2h1n h GLU 374 N 0.48 0.42 -0.00 1.05 3.07 -1.96 -2.48 114.58 115.16 2h1n h GLU 374 Ca 0.10 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2h1n h GLU 374 Cb 0.41 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2h1n h GLU 374 CO 0.02 0.28 -0.25 0.66 -1.40 0.00 0.00 179.01 178.32 2h1n n TYR 375 N -4.48 0.00 0.02 4.33 4.02 -1.13 -4.07 117.16 115.85 2h1n n TYR 375 Ca 0.04 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.97 2h1n n TYR 375 Cb 0.14 -0.18 0.43 0.00 -0.02 0.00 0.00 39.34 39.72 2h1n n TYR 375 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 2h1n h ASN 376 N 0.78 0.44 -5.05 7.72 2.35 -1.52 0.68 115.58 120.98 2h1n h ASN 376 Ca 0.00 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 2h1n h ASN 376 Cb 0.47 -0.11 -0.18 0.00 0.05 0.00 0.00 38.32 38.55 2h1n h ASN 376 CO 0.00 0.33 -0.35 -1.66 -1.65 0.00 0.00 177.43 174.10 2h1n s TRP 377 N -5.43 -0.01 0.38 1.19 -2.14 -1.26 -4.46 118.94 107.21 2h1n s TRP 377 Ca -0.08 -0.15 -0.06 0.00 2.66 0.00 0.00 56.10 58.47 2h1n s TRP 377 Cb 0.17 0.01 0.09 0.00 -3.10 0.00 0.00 33.47 30.65 2h1n s TRP 377 CO 0.73 -0.44 0.46 -0.35 -2.66 0.00 0.00 176.95 174.70 2h1n n PRO 378 N 0.77 -0.83 -0.91 3.25 -0.04 -1.24 -4.03 135.00 131.97 2h1n n PRO 378 Ca -0.19 -0.72 -0.30 0.00 -0.04 0.00 0.00 63.50 62.25 2h1n n PRO 378 Cb 0.58 -0.53 0.17 0.00 -0.04 0.00 0.00 33.50 33.69 2h1n n PRO 378 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2h1n s THR 379 N -1.97 2.37 0.18 0.52 -4.23 -1.26 -4.66 115.64 106.59 2h1n s THR 379 Ca 0.27 0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.81 2h1n s THR 379 Cb -0.01 -2.38 0.06 0.00 1.34 0.00 0.00 72.50 71.51 2h1n s THR 379 CO 0.19 -0.16 1.64 -0.07 -0.54 0.00 0.00 174.62 175.69 2h1n h LEU 380 N -1.90 1.04 -0.87 4.79 3.38 -1.97 -1.66 115.31 118.12 2h1n h LEU 380 Ca -0.51 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.18 2h1n h LEU 380 Cb 1.29 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 2h1n h LEU 380 CO 0.50 1.10 0.57 1.05 0.09 0.00 0.00 178.44 181.75 2h1n h GLU 381 N 0.96 1.08 -0.50 1.13 9.09 -1.92 -1.05 114.58 123.37 2h1n h GLU 381 Ca 0.16 -0.07 -0.04 0.00 0.05 0.00 0.00 59.36 59.47 2h1n h GLU 381 Cb 0.59 -0.24 -0.02 0.00 -1.65 0.00 0.00 28.75 27.42 2h1n h GLU 381 CO 0.04 0.72 0.17 0.00 0.05 0.00 0.00 179.01 179.98 2h1n h ALA 382 N 1.35 0.66 -0.73 1.06 0.00 -1.81 -2.93 119.26 116.86 2h1n h ALA 382 Ca 0.34 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.19 2h1n h ALA 382 Cb -0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.49 2h1n h ALA 382 CO -0.11 0.30 0.34 0.00 0.00 0.00 0.00 179.25 179.78 2h1n h GLU 384 N 0.55 0.00 -0.22 0.00 4.39 -1.05 -1.90 114.58 116.35 2h1n h GLU 384 Ca 0.38 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.05 2h1n h GLU 384 Cb 0.47 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2h1n h GLU 384 CO -0.32 0.00 0.04 0.82 -1.16 0.00 0.00 179.01 178.39 2h1n h ILE 385 N 0.00 1.22 -0.40 3.13 2.04 -1.14 -3.24 117.51 119.12 2h1n h ILE 385 Ca 0.00 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.14 2h1n h ILE 385 Cb 0.32 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2h1n h ILE 385 CO 0.00 0.23 0.23 0.45 0.00 0.00 0.00 178.15 179.06 2h1n h HIS 386 N 0.16 0.43 0.00 1.37 3.86 -1.37 -1.77 115.15 117.83 2h1n h HIS 386 Ca 0.07 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2h1n h HIS 386 Cb 0.31 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2h1n h HIS 386 CO 0.02 0.25 0.00 -1.13 0.86 0.00 0.00 177.93 177.93 2h1n n SER 387 N -4.87 1.78 -1.64 2.45 3.41 -1.15 -4.60 113.62 109.00 2h1n n SER 387 Ca 0.01 -1.75 -0.05 0.00 -0.26 0.00 0.00 58.87 56.82 2h1n n SER 387 Cb 0.06 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 63.57 2h1n n SER 387 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2h1n n SER 389 N 0.32 -0.28 0.00 4.04 7.64 -0.67 -4.32 113.62 120.35 2h1n n SER 389 Ca 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2h1n n SER 389 Cb 0.33 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2h1n n SER 389 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2h1n n GLU 391 N -0.91 0.00 0.05 1.43 1.02 -1.26 -1.71 120.64 119.27 2h1n n GLU 391 Ca 0.01 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.94 2h1n n GLU 391 Cb 0.08 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.36 2h1n n GLU 391 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 2h1n h PHE 392 N 0.00 0.58 -0.06 -0.32 0.05 -1.95 -3.25 116.94 111.99 2h1n h PHE 392 Ca 0.00 -0.42 0.02 0.00 3.82 0.00 0.00 57.97 61.39 2h1n h PHE 392 Cb 0.00 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 37.92 2h1n h PHE 392 CO 0.00 1.41 0.06 0.74 -0.18 0.00 0.00 178.31 180.34 2h1n h PHE 393 N -0.29 0.00 0.00 -0.55 -1.00 -1.73 -0.56 116.94 112.81 2h1n h PHE 393 Ca -0.20 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.58 2h1n h PHE 393 Cb 1.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.30 2h1n h PHE 393 CO 0.17 0.00 0.00 1.15 -1.61 0.00 0.00 178.31 178.02 2h1n h THR 394 N 0.00 0.00 -0.73 -1.55 2.02 -1.82 -3.38 112.91 107.44 2h1n h THR 394 Ca 0.03 -0.44 0.16 0.00 0.77 0.00 0.00 66.41 66.92 2h1n h THR 394 Cb 0.14 1.41 -0.13 0.00 -1.74 0.00 0.00 68.15 67.83 2h1n h THR 394 CO -0.00 0.00 -0.06 -0.50 0.37 0.00 0.00 175.52 175.33 2h1n h TRP 395 N 0.00 -0.17 -0.26 3.16 4.06 -1.16 -1.51 115.95 120.08 2h1n h TRP 395 Ca 0.00 0.06 0.06 0.00 2.06 0.00 0.00 58.89 61.07 2h1n h TRP 395 Cb 0.46 0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 2h1n h TRP 395 CO 0.00 -0.26 0.18 -1.35 -3.56 0.00 0.00 178.44 173.45 2h1n h PRO 396 N 0.06 0.05 -4.85 0.49 0.11 -1.82 -3.43 132.00 122.61 2h1n h PRO 396 Ca 0.38 -0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.78 2h1n h PRO 396 Cb 0.64 -0.01 -0.19 0.00 0.11 0.00 0.00 31.00 31.56 2h1n h PRO 396 CO -0.68 0.03 0.83 -1.58 -0.21 0.00 0.00 178.00 176.39 2h1n s TRP 397 N -5.09 3.25 0.00 0.65 0.51 -0.57 -4.88 118.94 112.81 2h1n s TRP 397 Ca -0.05 -1.57 0.00 0.00 -2.12 0.00 0.00 56.10 52.35 2h1n s TRP 397 Cb 0.18 -4.24 0.00 0.00 -0.81 0.00 0.00 33.47 28.61 2h1n s TRP 397 CO 0.70 -1.42 0.00 -0.85 -0.51 0.00 0.00 176.95 174.87 2h1n n GLU 399 N 6.11 0.00 0.17 4.98 0.00 -1.26 -4.17 120.64 126.48 2h1n n GLU 399 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.45 2h1n n GLU 399 Cb 0.48 0.00 0.47 0.00 0.00 0.00 0.00 31.44 32.39 2h1n n GLU 399 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2h1n h LEU 400 N 0.00 0.11 0.00 -1.84 3.38 -1.90 -1.95 115.31 113.11 2h1n h LEU 400 Ca 0.00 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 2h1n h LEU 400 Cb 0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2h1n h LEU 400 CO 0.00 0.25 -2.19 0.49 0.09 0.00 0.00 178.44 177.07 2h1n n PHE 401 N -4.34 0.00 0.31 1.13 3.01 -1.26 -4.73 117.46 111.58 2h1n n PHE 401 Ca -0.02 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.48 2h1n n PHE 401 Cb 0.22 -0.85 -0.04 0.00 -0.01 0.00 0.00 39.48 38.80 2h1n n PHE 401 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2h1n n PHE 402 N -2.71 0.00 -2.66 1.38 3.72 -1.23 -1.54 117.46 114.42 2h1n n PHE 402 Ca -0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 2h1n n PHE 402 Cb 1.04 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 2h1n n PHE 402 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2h1n n GLY 403 N 1.20 3.09 0.37 1.37 0.00 -0.73 -2.16 105.19 108.33 2h1n n GLY 403 Ca 0.01 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.88 2h1n n GLY 403 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2h1n h GLU 404 N 0.00 0.49 0.00 1.61 4.39 -1.99 -2.21 114.58 116.88 2h1n h GLU 404 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2h1n h GLU 404 Cb 0.00 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2h1n h GLU 404 CO 0.00 0.32 0.00 -0.25 -1.16 0.00 0.00 179.01 177.92 2h1n n ASP 405 N -4.49 0.03 -0.23 1.42 10.43 -0.92 -3.75 116.55 119.04 2h1n n ASP 405 Ca 0.13 0.51 0.04 0.00 2.57 0.00 0.00 54.79 58.04 2h1n n ASP 405 Cb 0.43 -0.52 0.15 0.00 1.84 0.00 0.00 41.12 43.02 2h1n n ASP 405 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2h1n h ALA 406 N 2.09 0.79 -0.03 2.24 0.00 -1.54 -0.06 119.26 122.74 2h1n h ALA 406 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2h1n h ALA 406 Cb 0.04 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2h1n h ALA 406 CO 0.00 -0.38 -0.04 -0.44 0.00 0.00 0.00 179.25 178.39 2h1n h ASP 407 N 0.17 -0.11 -0.55 0.00 3.32 -1.85 -1.14 116.42 116.26 2h1n h ASP 407 Ca 0.38 0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.56 2h1n h ASP 407 Cb 0.65 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.16 2h1n h ASP 407 CO -0.55 -0.05 -0.05 0.11 -1.72 0.00 0.00 179.24 176.97 2h1n h LYS 408 N -0.05 0.07 0.32 3.56 1.57 -1.48 -1.97 116.57 118.59 2h1n h LYS 408 Ca 0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2h1n h LYS 408 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2h1n h LYS 408 CO -0.06 0.05 -0.23 -0.92 -0.57 0.00 0.00 179.45 177.71 2h1n h TYR 409 N 0.07 -0.60 -0.48 -1.35 3.20 -0.36 -0.56 116.97 116.89 2h1n h TYR 409 Ca 0.28 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2h1n h TYR 409 Cb 0.43 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2h1n h TYR 409 CO -0.38 -0.35 0.30 0.00 -1.64 0.00 0.00 178.16 176.10 2h1n h ARG 410 N -0.55 0.63 -0.15 1.82 3.08 -1.03 0.27 114.38 118.46 2h1n h ARG 410 Ca -0.03 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2h1n h ARG 410 Cb 0.47 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2h1n h ARG 410 CO 0.01 0.43 -0.10 0.35 -1.07 0.00 0.00 179.97 179.59 2h1n h PHE 411 N 0.65 0.40 -0.82 3.04 3.57 -1.02 -1.87 116.94 120.89 2h1n h PHE 411 Ca 0.17 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 2h1n h PHE 411 Cb -0.06 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 2h1n h PHE 411 CO 0.00 0.69 0.37 0.00 -2.23 0.00 0.00 178.31 177.15 2h1n h ALA 412 N 0.65 1.06 -0.13 2.41 0.00 -0.58 -1.67 119.26 121.00 2h1n h ALA 412 Ca 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2h1n h ALA 412 Cb 0.60 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2h1n h ALA 412 CO 0.03 0.64 0.06 1.25 0.00 0.00 0.00 179.25 181.23 2h1n h HIS 413 N 1.17 0.18 -0.16 0.00 -0.00 -0.39 0.33 115.15 116.28 2h1n h HIS 413 Ca 0.28 -0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.53 2h1n h HIS 413 Cb 0.15 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 2h1n h HIS 413 CO 0.02 0.23 -0.40 1.25 -0.00 0.00 0.00 177.93 179.03 2h1n h LEU 414 N 0.08 0.38 0.21 0.26 5.85 -1.25 -1.33 115.31 119.51 2h1n h LEU 414 Ca 0.04 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2h1n h LEU 414 Cb 0.12 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2h1n h LEU 414 CO -0.01 0.74 -0.10 0.28 -0.34 0.00 0.00 178.44 179.02 2h1n h SER 415 N 0.30 -0.24 -0.86 1.25 0.02 -1.09 -2.95 113.55 109.98 2h1n h SER 415 Ca 0.03 -0.20 0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2h1n h SER 415 Cb 0.84 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.38 2h1n h SER 415 CO 0.07 0.09 0.56 -0.78 -1.14 0.00 0.00 176.83 175.62 2h1n h ASP 416 N -0.58 0.78 -0.79 3.07 1.82 -0.87 -0.56 116.42 119.29 2h1n h ASP 416 Ca -0.03 0.02 0.11 0.00 -0.39 0.00 0.00 57.03 56.74 2h1n h ASP 416 Cb 0.43 -0.15 -0.08 0.00 0.68 0.00 0.00 39.33 40.21 2h1n h ASP 416 CO 0.05 0.48 0.42 0.00 -1.61 0.00 0.00 179.24 178.57 2h1n h ALA 417 N 1.56 1.13 0.24 -0.78 0.00 -1.17 -0.80 119.26 119.44 2h1n h ALA 417 Ca 0.39 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 2h1n h ALA 417 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2h1n h ALA 417 CO -0.16 -0.01 -0.12 -0.07 0.00 0.00 0.00 179.25 178.90 2h1n h LEU 418 N 0.67 -0.28 -2.10 0.00 3.38 -1.05 -3.32 115.31 112.62 2h1n h LEU 418 Ca 0.40 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.24 2h1n h LEU 418 Cb 0.44 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2h1n h LEU 418 CO -0.29 0.23 0.31 -0.07 0.09 0.00 0.00 178.44 178.71 2h1n h LEU 419 N -0.95 0.00 -0.72 1.67 3.38 -1.04 0.04 115.31 117.68 2h1n h LEU 419 Ca -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2h1n h LEU 419 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2h1n h LEU 419 CO 0.06 0.00 -0.35 0.15 0.09 0.00 0.00 178.44 178.38 2h1n h PHE 420 N 0.00 0.68 -0.33 1.13 3.57 -1.23 -3.36 116.94 117.39 2h1n h PHE 420 Ca 0.14 -0.18 0.07 0.00 3.53 0.00 0.00 57.97 61.54 2h1n h PHE 420 Cb 0.77 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 2h1n h PHE 420 CO 0.00 0.86 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.65 2h1n h LEU 421 N 0.49 -0.72 -1.12 0.59 3.38 -1.09 -0.14 115.31 116.70 2h1n h LEU 421 Ca 0.05 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.27 2h1n h LEU 421 Cb 0.84 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 2h1n h LEU 421 CO 0.07 -0.25 0.60 -0.65 0.09 0.00 0.00 178.44 178.30 2h1n h PRO 422 N -0.18 0.92 -0.03 1.13 0.11 -1.74 -2.07 132.00 130.15 2h1n h PRO 422 Ca 0.17 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 2h1n h PRO 422 Cb 0.44 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 2h1n h PRO 422 CO -0.44 0.61 -0.00 -0.92 -0.21 0.00 0.00 178.00 177.03 2h1n h TYR 423 N 0.95 0.06 -0.51 0.65 5.03 -1.24 -1.57 116.97 120.34 2h1n h TYR 423 Ca 0.44 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.75 2h1n h TYR 423 Cb 0.42 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.66 2h1n h TYR 423 CO -0.00 0.39 0.33 0.78 -1.32 0.00 0.00 178.16 178.34 2h1n h GLY 424 N -0.28 0.71 1.32 1.82 0.00 -0.99 0.56 103.07 106.21 2h1n h GLY 424 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2h1n h GLY 424 CO 0.00 0.26 0.35 -2.08 0.00 0.00 0.00 176.54 175.07 2h1n h VAL 425 N 0.68 1.19 -0.03 4.60 2.07 -1.43 -1.47 116.25 121.88 2h1n h VAL 425 Ca 0.19 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2h1n h VAL 425 Cb -0.08 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2h1n h VAL 425 CO -0.04 0.22 0.01 0.00 0.02 0.00 0.00 177.57 177.77 2h1n h ALA 426 N 1.49 0.04 -0.57 1.67 0.00 -0.32 -1.59 119.26 119.97 2h1n h ALA 426 Ca 0.23 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2h1n h ALA 426 Cb 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 2h1n h ALA 426 CO -0.04 -0.34 0.09 0.28 0.00 0.00 0.00 179.25 179.24 2h1n h VAL 427 N -0.18 0.62 0.13 0.00 2.07 -0.73 0.35 116.25 118.52 2h1n h VAL 427 Ca 0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2h1n h VAL 427 Cb 0.24 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2h1n h VAL 427 CO 0.00 0.04 -0.06 -0.78 0.02 0.00 0.00 177.57 176.78 2h1n h ASP 428 N 0.21 -0.15 -0.63 0.57 1.82 -1.11 -2.23 116.42 114.91 2h1n h ASP 428 Ca 0.30 -0.01 0.10 0.00 -0.39 0.00 0.00 57.03 57.03 2h1n h ASP 428 Cb 0.45 0.04 -0.08 0.00 0.68 0.00 0.00 39.33 40.42 2h1n h ASP 428 CO -0.41 -0.09 0.23 -0.08 -1.61 0.00 0.00 179.24 177.27 2h1n h GLU 429 N -0.20 0.39 -0.37 0.28 4.81 -0.93 -2.08 114.58 116.47 2h1n h GLU 429 Ca -0.02 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2h1n h GLU 429 Cb 0.15 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 2h1n h GLU 429 CO 0.03 0.26 -0.10 0.35 -0.73 0.00 0.00 179.01 178.81 2h1n h PHE 430 N 0.40 -0.22 -0.78 0.92 3.57 -0.57 -0.89 116.94 119.37 2h1n h PHE 430 Ca 0.32 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 2h1n h PHE 430 Cb 0.43 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 2h1n h PHE 430 CO -0.18 -0.17 0.39 1.96 -2.23 0.00 0.00 178.31 178.08 2h1n h GLN 431 N -0.01 1.11 -0.60 1.11 4.20 -0.81 0.36 115.11 120.48 2h1n h GLN 431 Ca 0.18 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2h1n h GLN 431 Cb 0.29 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2h1n h GLN 431 CO -0.39 0.85 0.32 0.45 -0.67 0.00 0.00 178.83 179.39 2h1n h HIS 432 N 1.09 0.83 -0.65 2.96 3.86 -0.88 -0.87 115.15 121.49 2h1n h HIS 432 Ca 0.27 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 2h1n h HIS 432 Cb 0.09 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 2h1n h HIS 432 CO 0.01 0.61 0.34 0.00 0.86 0.00 0.00 177.93 179.75 2h1n h ALA 433 N 1.14 1.39 0.11 2.45 0.00 -0.52 -2.19 119.26 121.64 2h1n h ALA 433 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2h1n h ALA 433 Cb 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2h1n h ALA 433 CO -0.03 0.50 -0.05 0.28 0.00 0.00 0.00 179.25 179.94 2h1n h VAL 434 N 0.90 1.08 0.00 0.00 2.07 -0.16 -2.75 116.25 117.39 2h1n h VAL 434 Ca 0.23 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2h1n h VAL 434 Cb 0.04 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2h1n h VAL 434 CO -0.04 0.22 -0.00 1.88 0.02 0.00 0.00 177.57 179.65 2h1n h TYR 435 N -0.59 0.00 0.00 1.57 -1.99 -1.17 -2.89 116.97 111.90 2h1n h TYR 435 Ca -0.02 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 2h1n h TYR 435 Cb 0.47 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 2h1n h TYR 435 CO 0.06 0.00 -0.31 0.93 -0.00 0.00 0.00 178.16 178.85 2h1n h GLU 436 N 0.00 0.00 -2.14 4.88 5.08 -1.44 -3.37 114.58 117.58 2h1n h GLU 436 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2h1n h GLU 436 Cb 0.87 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.71 2h1n h GLU 436 CO 0.00 0.26 -0.77 0.09 -1.00 0.00 0.00 179.01 177.59 2h1n n ASN 437 N -3.15 2.77 0.06 1.42 3.02 -1.04 -4.95 115.26 113.40 2h1n n ASN 437 Ca 0.03 -3.26 0.09 0.00 -0.03 0.00 0.00 54.58 51.40 2h1n n ASN 437 Cb 0.64 -0.64 0.38 0.00 -0.61 0.00 0.00 39.78 39.54 2h1n n ASN 437 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2h1n n PRO 438 N 0.78 0.08 -2.96 3.52 -0.04 -1.18 -4.84 135.00 130.37 2h1n n PRO 438 Ca 0.28 0.34 -0.44 0.00 -0.04 0.00 0.00 63.50 63.64 2h1n n PRO 438 Cb 0.45 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 2h1n n PRO 438 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2h1n s ASP 439 N -3.52 6.20 0.10 3.54 1.01 -1.26 -4.86 116.67 117.87 2h1n s ASP 439 Ca 0.05 -1.02 0.08 0.00 0.71 0.00 0.00 52.55 52.37 2h1n s ASP 439 Cb 0.09 -2.37 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 2h1n s ASP 439 CO 0.30 -1.25 -0.16 0.42 0.21 0.00 0.00 175.17 174.68 2h1n s THR 441 N 3.49 2.95 0.41 -1.27 -4.23 -1.26 -5.15 115.64 110.58 2h1n s THR 441 Ca 0.19 -1.38 0.19 0.00 -1.18 0.00 0.00 61.69 59.51 2h1n s THR 441 Cb -0.19 -2.34 0.40 0.00 1.34 0.00 0.00 72.50 71.71 2h1n s THR 441 CO 0.10 0.15 1.80 -0.65 -0.54 0.00 0.00 174.62 175.49 2h1n h PRO 442 N 3.88 0.36 -0.82 3.99 0.11 -2.00 0.27 132.00 137.80 2h1n h PRO 442 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2h1n h PRO 442 Cb 1.17 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 2h1n h PRO 442 CO 0.48 0.24 0.44 0.00 -0.21 0.00 0.00 178.00 178.94 2h1n h ALA 443 N 1.60 1.23 -0.05 -0.75 0.00 -2.00 -2.46 119.26 116.84 2h1n h ALA 443 Ca 0.55 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.19 2h1n h ALA 443 Cb 1.45 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2h1n h ALA 443 CO -0.24 0.61 -0.62 0.93 0.00 0.00 0.00 179.25 179.94 2h1n h GLU 444 N 1.14 0.19 -0.86 0.00 5.08 -0.94 -2.73 114.58 116.46 2h1n h GLU 444 Ca 0.29 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2h1n h GLU 444 Cb 0.04 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2h1n h GLU 444 CO -0.04 0.75 0.46 0.00 -1.00 0.00 0.00 179.01 179.17 2h1n h ARG 445 N 0.14 1.20 -0.45 2.33 3.08 -1.07 -1.49 114.38 118.12 2h1n h ARG 445 Ca -0.01 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 2h1n h ARG 445 Cb 1.12 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 2h1n h ARG 445 CO 0.09 0.89 0.03 0.87 -1.07 0.00 0.00 179.97 180.78 2h1n h LYS 446 N 1.20 0.72 0.10 0.04 1.57 -1.22 -0.62 116.57 118.37 2h1n h LYS 446 Ca 0.30 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2h1n h LYS 446 Cb 0.04 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2h1n h LYS 446 CO -0.05 0.71 -0.05 0.77 -0.57 0.00 0.00 179.45 180.26 2h1n h SER 447 N 0.68 -0.12 -0.72 0.86 0.02 -1.18 -0.49 113.55 112.61 2h1n h SER 447 Ca 0.14 -0.16 0.14 0.00 -0.84 0.00 0.00 61.79 61.07 2h1n h SER 447 Cb 0.37 0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.84 2h1n h SER 447 CO 0.01 0.10 0.23 0.58 -1.14 0.00 0.00 176.83 176.61 2h1n h VAL 448 N -0.33 0.60 0.12 2.27 2.07 -1.01 0.79 116.25 120.77 2h1n h VAL 448 Ca -0.01 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2h1n h VAL 448 Cb 0.27 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2h1n h VAL 448 CO 0.02 0.06 -0.06 -0.25 0.02 0.00 0.00 177.57 177.37 2h1n h TRP 449 N 0.35 -0.15 -0.69 1.57 2.91 -0.98 -2.01 115.95 116.95 2h1n h TRP 449 Ca 0.40 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.47 2h1n h TRP 449 Cb 0.63 0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.29 2h1n h TRP 449 CO -0.21 0.06 0.46 -0.09 -1.03 0.00 0.00 178.44 177.62 2h1n h ARG 450 N -0.34 0.70 -0.23 2.65 9.65 0.06 0.17 114.38 127.04 2h1n h ARG 450 Ca -0.02 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.72 2h1n h ARG 450 Cb 0.28 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2h1n h ARG 450 CO 0.03 0.46 -0.26 -0.91 2.80 0.00 0.00 179.97 182.10 2h1n h ASN 451 N 0.72 0.62 -0.69 -3.80 -0.26 -0.78 -0.57 115.58 110.82 2h1n h ASN 451 Ca 0.30 -0.49 0.01 0.00 -0.56 0.00 0.00 56.30 55.55 2h1n h ASN 451 Cb 0.24 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.29 2h1n h ASN 451 CO -0.09 0.98 0.46 0.40 -1.06 0.00 0.00 177.43 178.11 2h1n h ILE 452 N 0.27 1.18 -0.31 2.81 2.04 -0.61 -1.52 117.51 121.37 2h1n h ILE 452 Ca 0.03 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2h1n h ILE 452 Cb 0.82 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2h1n h ILE 452 CO 0.06 0.17 0.20 -0.08 0.00 0.00 0.00 178.15 178.51 2h1n h GLU 453 N 0.94 0.41 -0.02 2.37 4.81 -0.63 -1.01 114.58 121.46 2h1n h GLU 453 Ca 0.25 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 2h1n h GLU 453 Cb -0.11 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2h1n h GLU 453 CO -0.05 0.28 0.02 0.87 -0.73 0.00 0.00 179.01 179.40 2h1n h LYS 454 N 0.42 0.00 0.19 1.92 1.57 -0.70 0.30 116.57 120.26 2h1n h LYS 454 Ca 0.11 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 2h1n h LYS 454 Cb -0.04 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.30 2h1n h LYS 454 CO -0.02 0.00 -1.07 0.00 -0.57 0.00 0.00 179.45 177.78 2h1n h ALA 455 N 1.98 -0.12 0.00 3.86 0.00 -0.25 -3.33 119.26 121.41 2h1n h ALA 455 Ca 0.01 -0.76 -0.13 0.00 0.00 0.00 0.00 54.91 54.03 2h1n h ALA 455 Cb 0.05 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2h1n h ALA 455 CO -0.00 0.50 -1.98 0.66 0.00 0.00 0.00 179.25 178.43 2h1n n TYR 456 N -3.97 0.00 -3.03 0.00 4.02 -0.48 -4.50 117.16 109.20 2h1n n TYR 456 Ca -0.15 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.48 2h1n n TYR 456 Cb 0.93 -0.59 -0.04 0.00 -0.02 0.00 0.00 39.34 39.61 2h1n n TYR 456 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2h1n n LEU 457 N -2.34 3.96 0.24 7.72 4.77 0.10 -4.78 117.00 126.68 2h1n n LEU 457 Ca -0.13 -5.57 0.11 0.00 -0.03 0.00 0.00 56.01 50.39 2h1n n LEU 457 Cb 0.71 -0.42 0.60 0.00 -2.33 0.00 0.00 43.42 41.98 2h1n n LEU 457 CO 0.38 2.31 0.89 1.55 -1.33 0.00 0.00 177.39 181.19 2h1n h PRO 458 N 3.15 0.00 0.00 3.23 0.13 -1.67 -1.95 132.00 134.89 2h1n h PRO 458 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2h1n h PRO 458 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2h1n h PRO 458 CO 0.78 0.17 0.00 1.79 -0.23 0.00 0.00 178.00 180.52 2h1n h THR 459 N 0.00 0.00 -3.52 1.56 1.35 -1.91 -3.46 112.91 106.94 2h1n h THR 459 Ca -0.00 -0.50 -0.53 0.00 -0.55 0.00 0.00 66.41 64.83 2h1n h THR 459 Cb 0.54 1.44 0.06 0.00 -1.73 0.00 0.00 68.15 68.46 2h1n h THR 459 CO 0.02 0.00 0.72 -0.60 -0.25 0.00 0.00 175.52 175.41 2h1n s ARG 460 N -3.20 4.30 -0.06 4.72 3.52 -0.73 -5.00 118.95 122.49 2h1n s ARG 460 Ca 0.08 2.26 -0.02 0.00 -0.13 0.00 0.00 55.73 57.92 2h1n s ARG 460 Cb 0.10 -3.11 0.04 0.00 -1.56 0.00 0.00 34.95 30.43 2h1n s ARG 460 CO 0.56 -0.35 0.13 0.16 -0.81 0.00 0.00 175.30 174.99 2h1n s ASP 461 N 0.14 0.21 -0.07 -2.12 -4.77 -1.26 -5.04 116.67 103.77 2h1n s ASP 461 Ca 0.56 0.26 0.13 0.00 -3.30 0.00 0.00 52.55 50.20 2h1n s ASP 461 Cb -0.41 0.15 0.49 0.00 -1.09 0.00 0.00 42.92 42.06 2h1n s ASP 461 CO 0.46 -0.18 1.36 -1.22 0.70 0.00 0.00 175.17 176.29 2h1n n TYR 462 N 4.56 0.97 -3.91 2.11 4.01 -1.26 -1.95 117.16 121.69 2h1n n TYR 462 Ca -0.20 -0.40 -0.25 0.00 -0.16 0.00 0.00 57.90 56.90 2h1n n TYR 462 Cb 0.51 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 39.37 2h1n n TYR 462 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2h1n n ALA 463 N 0.74 -1.97 -1.56 -0.72 0.00 -1.26 -0.69 120.51 115.05 2h1n n ALA 463 Ca 0.18 -0.23 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 2h1n n ALA 463 Cb 0.61 -1.70 -0.08 0.00 0.00 0.00 0.00 19.45 18.28 2h1n n ALA 463 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h1n n ASP 464 N -2.99 -5.33 -4.61 0.00 8.00 -1.26 -4.94 116.55 105.43 2h1n n ASP 464 Ca -0.29 0.48 -0.43 0.00 0.71 0.00 0.00 54.79 55.26 2h1n n ASP 464 Cb 0.67 -4.52 -0.02 0.00 -0.02 0.00 0.00 41.12 37.23 2h1n n ASP 464 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2h1n s HIS 465 N -2.71 2.14 0.07 1.24 2.46 0.13 -4.93 115.29 113.69 2h1n s HIS 465 Ca 0.00 0.64 -0.37 0.00 0.47 0.00 0.00 55.06 55.80 2h1n s HIS 465 Cb 0.00 -4.14 -0.20 0.00 -0.13 0.00 0.00 32.58 28.12 2h1n s HIS 465 CO 0.00 -2.54 1.58 0.22 -2.47 0.00 0.00 174.74 171.53 2h1n h ASP 466 N 11.34 -1.11 -0.40 9.88 3.58 -1.92 0.25 116.42 138.05 2h1n h ASP 466 Ca -0.31 0.05 0.08 0.00 0.42 0.00 0.00 57.03 57.27 2h1n h ASP 466 Cb 1.14 0.30 -0.08 0.00 1.72 0.00 0.00 39.33 42.42 2h1n h ASP 466 CO 1.04 -0.74 -0.10 0.22 -2.88 0.00 0.00 179.24 176.78 2h1n h TYR 467 N -1.21 -0.21 -0.54 0.28 3.20 -1.98 -0.29 116.97 116.21 2h1n h TYR 467 Ca -0.12 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.69 2h1n h TYR 467 Cb 0.95 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 2h1n h TYR 467 CO -0.05 -0.17 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.17 2h1n h LEU 468 N -0.00 0.99 -1.44 2.82 3.38 -1.92 -2.16 115.31 116.98 2h1n h LEU 468 Ca 0.19 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2h1n h LEU 468 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2h1n h LEU 468 CO -0.41 1.09 -0.28 -0.08 0.09 0.00 0.00 178.44 178.85 2h1n h GLU 469 N 0.88 0.00 0.00 1.13 4.57 -0.04 -1.15 114.58 119.96 2h1n h GLU 469 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2h1n h GLU 469 Cb 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2h1n h GLU 469 CO 0.04 0.28 0.00 0.54 -1.18 0.00 0.00 179.01 178.69 2h1n n ARG 470 N -4.05 0.66 -0.40 1.92 1.74 -0.21 -4.89 116.66 111.44 2h1n n ARG 470 Ca -0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2h1n n ARG 470 Cb 0.34 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2h1n n ARG 470 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2h1n n GLY 471 N 0.71 1.47 0.03 -0.13 0.00 -0.44 -4.28 105.19 102.56 2h1n n GLY 471 Ca 0.17 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2h1n n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h1n n GLY 472 N -0.70 -1.41 0.29 -0.02 0.00 -0.83 -4.53 105.19 97.99 2h1n n GLY 472 Ca 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 45.86 2h1n n GLY 472 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2h1n h PHE 473 N 0.00 0.65 -0.01 1.61 3.57 -1.82 -2.41 116.94 118.52 2h1n h PHE 473 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2h1n h PHE 473 Cb 0.58 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 2h1n h PHE 473 CO 0.00 0.13 0.08 0.11 -2.23 0.00 0.00 178.31 176.40 2h1n h TRP 474 N 0.54 0.00 0.00 0.41 5.08 -1.99 -2.79 115.95 117.20 2h1n h TRP 474 Ca 0.43 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.39 2h1n h TRP 474 Cb 0.63 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.79 2h1n h TRP 474 CO -0.12 0.00 -0.09 1.96 -1.28 0.00 0.00 178.44 178.90 2h1n h GLN 475 N 0.00 0.00 0.00 0.12 4.20 -1.77 -1.12 115.11 116.54 2h1n h GLN 475 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2h1n h GLN 475 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2h1n h GLN 475 CO -0.00 0.09 0.00 0.07 -0.67 0.00 0.00 178.83 178.32 2h1n h ARG 476 N 0.00 0.00 -6.04 1.46 0.11 -1.72 -3.43 114.38 104.77 2h1n h ARG 476 Ca -0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 2h1n h ARG 476 Cb 0.39 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.36 2h1n h ARG 476 CO 0.01 0.00 0.90 -1.14 0.10 0.00 0.00 179.97 179.84 2h1n s GLN 477 N -3.38 3.17 0.45 0.08 2.00 -0.42 -4.91 119.66 116.65 2h1n s GLN 477 Ca 0.05 -0.47 0.10 0.00 -2.00 0.00 0.00 55.36 53.04 2h1n s GLN 477 Cb 0.09 -4.23 0.99 0.00 0.80 0.00 0.00 33.01 30.67 2h1n s GLN 477 CO 0.52 -2.04 2.09 0.78 -0.50 0.00 0.00 175.29 176.14 2h1n h GLY 478 N 12.45 0.38 0.94 2.59 0.00 -1.86 -2.78 103.07 114.79 2h1n h GLY 478 Ca -0.27 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 46.96 2h1n h GLY 478 CO 1.25 0.14 0.60 0.45 0.00 0.00 0.00 176.54 178.98 2h1n h HIS 479 N 0.37 1.10 -0.39 5.60 3.86 -1.91 0.88 115.15 124.66 2h1n h HIS 479 Ca 0.10 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 2h1n h HIS 479 Cb -0.04 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.05 2h1n h HIS 479 CO 0.00 0.62 0.26 0.82 0.86 0.00 0.00 177.93 180.49 2h1n h ILE 480 N 1.12 1.03 0.00 2.45 2.04 -1.77 0.22 117.51 122.61 2h1n h ILE 480 Ca 0.37 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 2h1n h ILE 480 Cb 0.07 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2h1n h ILE 480 CO -0.12 0.08 -0.15 1.88 0.00 0.00 0.00 178.15 179.84 2h1n h TYR 481 N 0.42 0.00 0.00 1.37 -1.99 -1.22 -3.42 116.97 112.13 2h1n h TYR 481 Ca 0.16 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.85 2h1n h TYR 481 Cb 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 2h1n h TYR 481 CO -0.00 0.42 -0.93 1.79 -0.00 0.00 0.00 178.16 179.44 2h1n h THR 482 N -1.00 0.13 -1.81 -2.88 1.35 -0.75 -3.43 112.91 104.53 2h1n h THR 482 Ca -0.03 -1.24 -0.51 0.00 -0.55 0.00 0.00 66.41 64.09 2h1n h THR 482 Cb 0.46 1.71 -0.37 0.00 -1.73 0.00 0.00 68.15 68.22 2h1n h THR 482 CO -0.02 0.08 -1.07 0.47 -0.25 0.00 0.00 175.52 174.73 2h1n n ASP 483 N -2.80 0.07 0.00 5.36 8.00 0.77 -5.04 116.55 122.92 2h1n n ASP 483 Ca -0.01 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.64 2h1n n ASP 483 Cb 0.61 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 2h1n n ASP 483 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2h1n n PRO 484 N 1.10 0.00 -0.05 -0.24 -0.02 -1.24 -1.83 135.00 132.72 2h1n n PRO 484 Ca 0.21 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.70 2h1n n PRO 484 Cb 0.58 -0.01 0.03 0.00 -0.02 0.00 0.00 33.50 34.08 2h1n n PRO 484 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2h1n n PHE 485 N 0.00 0.12 -2.35 6.00 3.01 -1.26 -4.61 117.46 118.37 2h1n n PHE 485 Ca 0.00 -0.05 -0.37 0.00 1.01 0.00 0.00 57.45 58.04 2h1n n PHE 485 Cb 0.00 -0.04 -0.04 0.00 -0.01 0.00 0.00 39.48 39.40 2h1n n PHE 485 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2h1n s TYR 486 N -1.70 2.17 0.00 1.38 6.04 -0.76 -3.94 117.35 120.53 2h1n s TYR 486 Ca 0.05 -0.06 0.00 0.00 0.04 0.00 0.00 57.07 57.09 2h1n s TYR 486 Cb 0.03 -4.43 0.00 0.00 -1.04 0.00 0.00 41.96 36.52 2h1n s TYR 486 CO 0.03 -1.97 0.00 0.98 -1.54 0.00 0.00 175.55 173.05 2h1n n TYR 487 N 10.89 -0.27 -0.31 4.97 9.36 -1.26 -4.86 117.16 135.68 2h1n n TYR 487 Ca 0.27 0.00 0.27 0.00 3.32 0.00 0.00 57.90 61.76 2h1n n TYR 487 Cb 0.50 0.05 0.61 0.00 -0.63 0.00 0.00 39.34 39.87 2h1n n TYR 487 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 2h1n h ILE 488 N 0.00 0.49 -1.00 2.97 6.09 -1.80 -1.42 117.51 122.85 2h1n h ILE 488 Ca 0.00 -0.08 0.13 0.00 -1.37 0.00 0.00 64.86 63.55 2h1n h ILE 488 Cb 0.00 0.24 -0.09 0.00 0.47 0.00 0.00 36.82 37.44 2h1n h ILE 488 CO 0.00 0.04 0.63 0.44 -3.07 0.00 0.00 178.15 176.19 2h1n h ASP 489 N 0.23 0.88 -0.59 2.19 5.19 -1.91 -0.17 116.42 122.24 2h1n h ASP 489 Ca 0.57 0.06 0.02 0.00 -0.62 0.00 0.00 57.03 57.05 2h1n h ASP 489 Cb 1.76 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 41.11 2h1n h ASP 489 CO -0.18 0.44 0.37 1.88 -3.12 0.00 0.00 179.24 178.64 2h1n h TYR 490 N 0.93 0.70 -0.04 4.55 -1.99 -1.62 -0.97 116.97 118.54 2h1n h TYR 490 Ca 0.51 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 61.13 2h1n h TYR 490 Cb 0.58 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 2h1n h TYR 490 CO -0.00 0.41 -0.58 1.79 -0.00 0.00 0.00 178.16 179.78 2h1n h THR 491 N 0.75 1.40 -0.07 -2.88 1.35 -1.18 -0.51 112.91 111.77 2h1n h THR 491 Ca 0.23 -1.97 -0.04 0.00 -0.55 0.00 0.00 66.41 64.08 2h1n h THR 491 Cb -0.02 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2h1n h THR 491 CO -0.08 0.57 -0.12 -0.07 -0.25 0.00 0.00 175.52 175.58 2h1n h LEU 492 N 0.09 0.22 -0.56 3.87 3.38 -1.04 -3.30 115.31 117.96 2h1n h LEU 492 Ca -0.00 -0.55 -0.13 0.00 0.09 0.00 0.00 57.88 57.29 2h1n h LEU 492 Cb 1.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2h1n h LEU 492 CO 0.08 0.72 -0.23 0.00 0.09 0.00 0.00 178.44 179.10 2h1n h ALA 493 N 0.50 0.75 -0.99 1.53 0.00 -1.12 -2.89 119.26 117.05 2h1n h ALA 493 Ca 0.00 -0.39 0.22 0.00 0.00 0.00 0.00 54.91 54.75 2h1n h ALA 493 Cb 0.68 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 2h1n h ALA 493 CO 0.03 0.66 0.63 0.37 0.00 0.00 0.00 179.25 180.94 2h1n h GLN 494 N 0.78 0.51 0.00 0.00 5.75 -1.19 0.39 115.11 121.35 2h1n h GLN 494 Ca 0.10 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2h1n h GLN 494 Cb 0.79 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.23 2h1n h GLN 494 CO 0.07 0.34 0.00 0.28 -2.65 0.00 0.00 178.83 176.86 2h1n h VAL 495 N 0.52 0.00 0.19 2.39 2.07 -1.59 -0.93 116.25 118.90 2h1n h VAL 495 Ca 0.56 -0.55 -0.35 0.00 0.82 0.00 0.00 66.70 67.17 2h1n h VAL 495 Cb 1.21 1.49 0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2h1n h VAL 495 CO -0.29 0.00 -1.75 0.00 0.02 0.00 0.00 177.57 175.55 2h1n h ALA 497 N 0.11 1.55 -0.10 0.00 0.00 -0.61 0.19 119.26 120.39 2h1n h ALA 497 Ca -0.34 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2h1n h ALA 497 Cb 2.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2h1n h ALA 497 CO 0.18 0.24 -0.15 0.74 0.00 0.00 0.00 179.25 180.26 2h1n h PHE 498 N 0.98 0.17 -0.17 0.00 0.05 -1.30 0.14 116.94 116.81 2h1n h PHE 498 Ca 0.46 -0.02 -0.08 0.00 3.82 0.00 0.00 57.97 62.15 2h1n h PHE 498 Cb 0.41 -0.05 -0.00 0.00 2.00 0.00 0.00 35.95 38.31 2h1n h PHE 498 CO -0.00 0.32 -0.20 1.96 -0.18 0.00 0.00 178.31 180.21 2h1n h GLN 499 N 0.16 0.44 -0.73 1.51 4.20 -0.71 -2.11 115.11 117.86 2h1n h GLN 499 Ca 0.03 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 2h1n h GLN 499 Cb 0.37 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 2h1n h GLN 499 CO 0.02 0.81 0.45 0.74 -0.67 0.00 0.00 178.83 180.19 2h1n h PHE 500 N 0.09 0.95 -0.52 2.96 0.05 -0.84 -1.69 116.94 117.93 2h1n h PHE 500 Ca 0.02 0.00 0.10 0.00 3.82 0.00 0.00 57.97 61.92 2h1n h PHE 500 Cb 0.74 -0.31 -0.09 0.00 2.00 0.00 0.00 35.95 38.29 2h1n h PHE 500 CO 0.08 0.63 -0.02 2.35 -0.18 0.00 0.00 178.31 181.17 2h1n h TRP 501 N 0.99 -0.08 -0.21 -0.55 7.01 -0.65 -0.21 115.95 122.26 2h1n h TRP 501 Ca 0.26 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.27 2h1n h TRP 501 Cb -0.06 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2h1n h TRP 501 CO -0.01 -0.14 0.01 -0.22 -2.79 0.00 0.00 178.44 175.28 2h1n h LYS 502 N 0.09 0.37 -0.60 2.65 3.11 -1.06 -2.91 116.57 118.23 2h1n h LYS 502 Ca 0.26 -0.11 -0.01 0.00 -2.81 0.00 0.00 60.65 57.97 2h1n h LYS 502 Cb 0.40 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.57 2h1n h LYS 502 CO -0.45 0.55 0.31 0.00 -2.81 0.00 0.00 179.45 177.05 2h1n h ARG 503 N 0.13 0.83 -1.00 1.90 3.08 -0.91 -2.05 114.38 116.36 2h1n h ARG 503 Ca 0.06 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2h1n h ARG 503 Cb 0.39 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 2h1n h ARG 503 CO 0.01 0.62 0.66 0.00 -1.07 0.00 0.00 179.97 180.20 2h1n h ALA 504 N 1.51 1.29 -0.56 0.04 0.00 -0.87 0.95 119.26 121.61 2h1n h ALA 504 Ca 0.21 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2h1n h ALA 504 Cb 0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2h1n h ALA 504 CO -0.03 0.65 0.17 1.96 0.00 0.00 0.00 179.25 182.00 2h1n h GLN 505 N 1.35 0.85 0.01 0.00 1.08 -1.19 -2.95 115.11 114.25 2h1n h GLN 505 Ca 0.37 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 57.32 2h1n h GLN 505 Cb -0.14 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 27.16 2h1n h GLN 505 CO -0.09 0.73 -0.38 0.93 -0.95 0.00 0.00 178.83 179.08 2h1n h GLU 506 N 0.82 0.24 -0.96 1.46 5.08 -1.04 -3.44 114.58 116.73 2h1n h GLU 506 Ca 0.19 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2h1n h GLU 506 Cb 0.24 0.08 -0.19 0.00 0.50 0.00 0.00 28.75 29.39 2h1n h GLU 506 CO -0.01 1.00 -0.44 0.34 -1.00 0.00 0.00 179.01 178.91 2h1n s ASP 507 N -6.48 -1.48 0.27 1.42 -1.08 0.26 -5.06 116.67 104.52 2h1n s ASP 507 Ca -0.15 -0.80 0.06 0.00 -0.52 0.00 0.00 52.55 51.14 2h1n s ASP 507 Cb 0.01 1.89 0.37 0.00 -1.46 0.00 0.00 42.92 43.73 2h1n s ASP 507 CO 0.77 -0.16 1.64 0.08 0.52 0.00 0.00 175.17 178.02 2h1n h ARG 508 N 6.83 0.22 -0.75 4.34 0.11 -1.67 0.04 114.38 123.51 2h1n h ARG 508 Ca 0.05 -0.12 0.04 0.00 0.10 0.00 0.00 59.98 60.04 2h1n h ARG 508 Cb 1.18 0.01 -0.05 0.00 1.11 0.00 0.00 29.97 32.22 2h1n h ARG 508 CO 0.09 0.68 0.46 0.00 0.10 0.00 0.00 179.97 181.29 2h1n h ALA 509 N 1.30 0.99 -0.15 0.08 0.00 -1.94 0.31 119.26 119.86 2h1n h ALA 509 Ca 0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2h1n h ALA 509 Cb 0.95 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.53 2h1n h ALA 509 CO 0.08 0.22 -0.66 1.03 0.00 0.00 0.00 179.25 179.92 2h1n h SER 510 N 0.88 0.84 -0.79 0.00 0.87 -1.84 -2.15 113.55 111.37 2h1n h SER 510 Ca 0.31 -0.62 -0.04 0.00 -1.23 0.00 0.00 61.79 60.21 2h1n h SER 510 Cb 0.07 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.75 2h1n h SER 510 CO -0.13 1.32 0.34 0.00 -0.53 0.00 0.00 176.83 177.84 2h1n h ALA 511 N 0.53 1.02 -0.51 6.23 0.00 -0.85 -2.85 119.26 122.82 2h1n h ALA 511 Ca -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2h1n h ALA 511 Cb 1.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2h1n h ALA 511 CO 0.14 0.61 0.15 2.35 0.00 0.00 0.00 179.25 182.50 2h1n h TRP 512 N 1.12 0.84 -0.45 0.00 2.91 -0.90 -2.04 115.95 117.44 2h1n h TRP 512 Ca 0.27 -0.09 0.08 0.00 1.13 0.00 0.00 58.89 60.27 2h1n h TRP 512 Cb 0.17 -0.24 -0.07 0.00 -0.51 0.00 0.00 29.16 28.51 2h1n h TRP 512 CO 0.02 0.73 0.06 0.00 -1.03 0.00 0.00 178.44 178.22 2h1n h ARG 513 N 0.70 0.18 -0.42 2.65 3.08 -1.17 -0.74 114.38 118.66 2h1n h ARG 513 Ca 0.16 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 2h1n h ARG 513 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2h1n h ARG 513 CO -0.00 0.12 -0.10 -0.44 -1.07 0.00 0.00 179.97 178.48 2h1n h ASP 514 N 0.19 0.82 -0.38 7.04 3.32 -1.39 -1.12 116.42 124.90 2h1n h ASP 514 Ca 0.22 -0.36 0.05 0.00 0.02 0.00 0.00 57.03 56.96 2h1n h ASP 514 Cb 0.30 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2h1n h ASP 514 CO -0.31 0.99 0.11 0.22 -1.72 0.00 0.00 179.24 178.53 2h1n h TYR 515 N 0.64 0.20 -0.46 4.55 3.20 -0.65 0.11 116.97 124.56 2h1n h TYR 515 Ca 0.11 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 2h1n h TYR 515 Cb 0.63 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2h1n h TYR 515 CO 0.05 0.07 0.15 0.28 -1.64 0.00 0.00 178.16 177.07 2h1n h VAL 516 N 0.26 1.22 -0.81 1.81 2.07 -1.03 -1.90 116.25 117.87 2h1n h VAL 516 Ca 0.18 -0.73 0.13 0.00 0.82 0.00 0.00 66.70 67.10 2h1n h VAL 516 Cb 0.17 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 30.68 2h1n h VAL 516 CO -0.20 0.26 0.40 0.00 0.02 0.00 0.00 177.57 178.06 2h1n h ALA 517 N 1.00 1.18 -0.15 1.67 0.00 -0.50 -1.42 119.26 121.05 2h1n h ALA 517 Ca 0.15 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2h1n h ALA 517 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2h1n h ALA 517 CO -0.01 -0.08 0.03 1.25 0.00 0.00 0.00 179.25 180.44 2h1n h LEU 518 N 0.61 0.23 -1.11 0.00 5.85 -0.31 -2.99 115.31 117.58 2h1n h LEU 518 Ca 0.43 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.92 2h1n h LEU 518 Cb 0.57 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2h1n h LEU 518 CO -0.34 0.41 0.60 0.00 -0.34 0.00 0.00 178.44 178.77 2h1n h ARG 520 N 1.23 0.00 0.00 0.00 3.08 -1.14 -1.37 114.38 116.17 2h1n h ARG 520 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2h1n h ARG 520 Cb -0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2h1n h ARG 520 CO -0.07 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.76 2h1n h LEU 521 N 0.00 0.00 0.00 3.04 4.07 -1.29 -3.45 115.31 117.67 2h1n h LEU 521 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2h1n h LEU 521 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2h1n h LEU 521 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 2h1n n GLY 522 N 0.12 3.19 1.25 0.83 0.00 -0.52 -2.01 105.19 108.06 2h1n n GLY 522 Ca 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 2h1n n GLY 522 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h1n n GLY 523 N 0.00 4.86 0.00 -0.02 0.00 0.23 -3.68 105.19 106.58 2h1n n GLY 523 Ca 0.00 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 44.94 2h1n n GLY 523 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h1n n SER 524 N -1.12 0.00 -4.03 1.61 3.41 -0.85 -4.48 113.62 108.16 2h1n n SER 524 Ca 0.35 -0.24 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 2h1n n SER 524 Cb 1.09 -0.23 -0.12 0.00 -0.26 0.00 0.00 64.21 64.69 2h1n n SER 524 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2h1n s ARG 525 N -2.47 0.47 0.84 4.33 1.81 -1.26 -4.56 118.95 118.10 2h1n s ARG 525 Ca 0.28 -0.66 -0.11 0.00 -1.72 0.00 0.00 55.73 53.53 2h1n s ARG 525 Cb 0.18 -0.22 0.10 0.00 -0.45 0.00 0.00 34.95 34.56 2h1n s ARG 525 CO 0.39 0.04 1.12 -1.25 -0.68 0.00 0.00 175.30 174.93 2h1n s PRO 526 N -1.38 1.66 0.17 3.54 0.04 -1.26 -4.70 135.00 133.07 2h1n s PRO 526 Ca -0.10 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.08 2h1n s PRO 526 Cb -0.09 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.68 2h1n s PRO 526 CO 0.00 -2.13 1.57 0.35 0.04 0.00 0.00 177.00 176.83 2h1n h PHE 527 N -1.43 -1.24 -0.76 0.56 3.57 -1.97 -0.31 116.94 115.37 2h1n h PHE 527 Ca -0.44 0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.23 2h1n h PHE 527 Cb 1.25 0.63 -0.05 0.00 2.79 0.00 0.00 35.95 40.57 2h1n h PHE 527 CO 0.54 -0.42 0.50 1.79 -2.23 0.00 0.00 178.31 178.48 2h1n h THR 528 N -0.22 0.98 -0.13 4.41 1.35 -1.96 -0.10 112.91 117.23 2h1n h THR 528 Ca 0.18 -0.25 -0.22 0.00 -0.55 0.00 0.00 66.41 65.58 2h1n h THR 528 Cb 0.56 0.18 0.01 0.00 -1.73 0.00 0.00 68.15 67.17 2h1n h THR 528 CO -0.68 0.13 -0.78 -0.33 -0.25 0.00 0.00 175.52 173.61 2h1n h GLU 529 N 0.73 0.71 -0.12 4.72 5.08 -1.57 -1.37 114.58 122.76 2h1n h GLU 529 Ca 0.34 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2h1n h GLU 529 Cb 0.37 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2h1n h GLU 529 CO -0.12 1.20 0.05 -0.07 -1.00 0.00 0.00 179.01 179.07 2h1n h LEU 530 N 0.48 0.16 -0.41 1.33 3.38 -0.09 -0.46 115.31 119.71 2h1n h LEU 530 Ca -0.05 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.87 2h1n h LEU 530 Cb 1.39 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 42.02 2h1n h LEU 530 CO 0.15 0.25 -0.11 0.58 0.09 0.00 0.00 178.44 179.40 2h1n h VAL 531 N 0.06 0.57 -0.74 1.22 2.07 -1.04 -2.21 116.25 116.17 2h1n h VAL 531 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2h1n h VAL 531 Cb 0.13 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2h1n h VAL 531 CO -0.00 0.00 0.48 0.50 0.02 0.00 0.00 177.57 178.57 2h1n h LYS 532 N -0.02 0.98 -0.75 1.57 3.64 -0.98 -1.96 116.57 119.06 2h1n h LYS 532 Ca 0.20 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2h1n h LYS 532 Cb 0.31 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2h1n h LYS 532 CO -0.43 0.66 0.30 0.66 -2.27 0.00 0.00 179.45 178.37 2h1n h SER 533 N 1.00 1.02 -0.03 4.20 4.64 -0.49 -1.61 113.55 122.27 2h1n h SER 533 Ca 0.27 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2h1n h SER 533 Cb -0.10 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.73 2h1n h SER 533 CO -0.06 0.91 0.00 0.00 -0.87 0.00 0.00 176.83 176.81 2h1n n ALA 534 N -2.44 2.60 -2.00 5.18 0.00 -0.96 -4.89 120.51 118.00 2h1n n ALA 534 Ca 0.07 -0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 2h1n n ALA 534 Cb 0.18 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.31 2h1n n ALA 534 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2h1n n ASN 535 N -0.56 -5.62 -4.80 0.00 3.02 -0.61 -5.00 115.26 101.69 2h1n n ASN 535 Ca 0.15 0.23 -0.34 0.00 -0.03 0.00 0.00 54.58 54.60 2h1n n ASN 535 Cb 0.13 -4.77 -0.02 0.00 -0.61 0.00 0.00 39.78 34.51 2h1n n ASN 535 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2h1n s LEU 536 N -5.24 3.73 0.08 3.41 2.01 -0.75 -5.02 118.68 116.90 2h1n s LEU 536 Ca 0.00 1.93 -0.24 0.00 0.01 0.00 0.00 54.13 55.82 2h1n s LEU 536 Cb 0.00 -4.55 -0.06 0.00 0.01 0.00 0.00 46.19 41.58 2h1n s LEU 536 CO 0.00 -0.95 0.75 -1.58 1.01 0.00 0.00 176.35 175.58 2h1n s GLN 537 N -3.49 4.49 0.30 1.70 0.74 -1.26 -4.56 119.66 117.58 2h1n s GLN 537 Ca 0.67 1.06 -0.30 0.00 0.05 0.00 0.00 55.36 56.84 2h1n s GLN 537 Cb -0.17 -3.32 -0.11 0.00 1.10 0.00 0.00 33.01 30.51 2h1n s GLN 537 CO 0.26 0.40 1.53 0.45 -0.55 0.00 0.00 175.29 177.38 2h1n s SER 538 N -0.47 6.44 0.55 6.67 0.15 -1.26 -4.89 113.70 120.90 2h1n s SER 538 Ca 0.37 2.89 0.28 0.00 0.70 0.00 0.00 55.95 60.20 2h1n s SER 538 Cb -0.21 -2.64 1.60 0.00 -1.71 0.00 0.00 66.02 63.06 2h1n s SER 538 CO 0.23 -0.85 2.14 1.55 1.20 0.00 0.00 173.24 177.52 2h1n h PRO 539 N 4.54 0.00 0.00 5.44 0.13 -1.93 -1.67 132.00 138.51 2h1n h PRO 539 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2h1n h PRO 539 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2h1n h PRO 539 CO 0.76 0.07 0.00 0.74 -0.23 0.00 0.00 178.00 179.34 2h1n h PHE 540 N 0.00 0.00 -3.00 1.56 -1.00 -1.96 -3.41 116.94 109.13 2h1n h PHE 540 Ca -0.00 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.19 2h1n h PHE 540 Cb 0.21 0.00 0.15 0.00 3.61 0.00 0.00 35.95 39.92 2h1n h PHE 540 CO 0.00 0.00 -0.10 0.00 -1.61 0.00 0.00 178.31 176.60 2h1n n ALA 541 N -1.94 -0.48 -1.86 2.45 0.00 -0.63 -4.85 120.51 113.20 2h1n n ALA 541 Ca 0.03 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2h1n n ALA 541 Cb 0.36 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 2h1n n ALA 541 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2h1n s ASP 542 N -0.99 6.54 -0.90 0.00 2.15 -1.26 -1.91 116.67 120.30 2h1n s ASP 542 Ca 0.67 2.57 0.00 0.00 0.43 0.00 0.00 52.55 56.23 2h1n s ASP 542 Cb -0.51 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.55 2h1n s ASP 542 CO 0.54 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 2h1n n GLY 543 N 4.08 1.01 0.07 2.66 0.00 -1.26 -4.93 105.19 106.81 2h1n n GLY 543 Ca 0.17 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 2h1n n GLY 543 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h1n h ALA 544 N 0.00 -0.03 -0.56 4.61 0.00 -1.65 -2.44 119.26 119.19 2h1n h ALA 544 Ca -0.17 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.56 2h1n h ALA 544 Cb 0.66 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2h1n h ALA 544 CO 0.25 -0.28 0.27 0.28 0.00 0.00 0.00 179.25 179.77 2h1n h VAL 545 N -0.51 0.91 -0.54 0.00 2.07 -1.82 -1.76 116.25 114.61 2h1n h VAL 545 Ca -0.00 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2h1n h VAL 545 Cb 0.48 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2h1n h VAL 545 CO 0.01 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.69 2h1n h ALA 546 N 1.33 0.72 -0.08 1.67 0.00 -1.91 -1.69 119.26 119.30 2h1n h ALA 546 Ca 0.26 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2h1n h ALA 546 Cb 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2h1n h ALA 546 CO -0.20 0.54 -0.76 0.66 0.00 0.00 0.00 179.25 179.49 2h1n h SER 547 N 0.82 0.53 -0.23 0.00 4.64 -1.11 -2.14 113.55 116.06 2h1n h SER 547 Ca 0.15 -0.36 -0.13 0.00 -0.47 0.00 0.00 61.79 60.98 2h1n h SER 547 Cb 0.53 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2h1n h SER 547 CO 0.03 1.11 -0.36 0.58 -0.87 0.00 0.00 176.83 177.31 2h1n h VAL 548 N 0.30 1.32 0.00 0.95 2.07 -1.27 -3.20 116.25 116.41 2h1n h VAL 548 Ca -0.04 -1.57 -0.07 0.00 0.82 0.00 0.00 66.70 65.85 2h1n h VAL 548 Cb 1.34 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2h1n h VAL 548 CO 0.13 0.49 -0.31 0.58 0.02 0.00 0.00 177.57 178.48 2h1n h VAL 549 N 0.37 0.71 -0.90 2.57 2.07 -1.33 -3.19 116.25 116.54 2h1n h VAL 549 Ca 0.02 -1.40 0.17 0.00 0.82 0.00 0.00 66.70 66.30 2h1n h VAL 549 Cb 0.95 1.91 -0.10 0.00 -1.52 0.00 0.00 31.29 32.53 2h1n h VAL 549 CO 0.08 0.31 0.49 1.23 0.02 0.00 0.00 177.57 179.70 2h1n h GLY 550 N 2.27 1.53 1.01 2.17 0.00 -1.37 -0.31 103.07 108.37 2h1n h GLY 550 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 2h1n h GLY 550 CO 0.04 -0.06 -0.15 0.45 0.00 0.00 0.00 176.54 176.82 2h1n h HIS 551 N 0.65 0.94 0.12 5.60 3.86 -1.70 -2.06 115.15 122.56 2h1n h HIS 551 Ca 0.51 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2h1n h HIS 551 Cb 0.76 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2h1n h HIS 551 CO -0.07 0.97 -0.10 0.82 0.86 0.00 0.00 177.93 180.41 2h1n h ILE 552 N 0.64 0.78 -0.60 2.45 1.08 -1.42 -0.58 117.51 119.86 2h1n h ILE 552 Ca 0.10 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.58 2h1n h ILE 552 Cb 0.70 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 2h1n h ILE 552 CO 0.05 0.00 0.39 -0.08 -0.69 0.00 0.00 178.15 177.82 2h1n h GLU 553 N -0.23 0.77 -0.71 2.37 4.81 -1.03 -1.03 114.58 119.53 2h1n h GLU 553 Ca -0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2h1n h GLU 553 Cb 0.21 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2h1n h GLU 553 CO -0.01 0.51 0.34 0.00 -0.73 0.00 0.00 179.01 179.11 2h1n h ARG 554 N 0.79 1.01 -0.24 1.92 3.08 -1.23 -0.06 114.38 119.65 2h1n h ARG 554 Ca 0.22 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2h1n h ARG 554 Cb -0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 2h1n h ARG 554 CO -0.06 0.78 0.09 2.35 -1.07 0.00 0.00 179.97 182.07 2h1n h TRP 555 N 1.01 0.37 -0.38 3.04 7.01 -0.12 -2.34 115.95 124.53 2h1n h TRP 555 Ca 0.25 -0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.13 2h1n h TRP 555 Cb 0.10 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 2h1n h TRP 555 CO 0.01 0.39 -0.14 -0.07 -2.79 0.00 0.00 178.44 175.85 2h1n h LEU 556 N 0.24 0.68 -1.30 0.65 3.38 -0.98 -2.50 115.31 115.47 2h1n h LEU 556 Ca 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2h1n h LEU 556 Cb 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2h1n h LEU 556 CO -0.01 0.84 0.36 0.44 0.09 0.00 0.00 178.44 180.16 2h1n h ASP 557 N 0.62 0.75 1.15 -0.43 3.32 -0.86 -2.59 116.42 118.38 2h1n h ASP 557 Ca 0.10 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2h1n h ASP 557 Cb 0.59 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2h1n h ASP 557 CO 0.04 0.58 0.00 0.77 -1.72 0.00 0.00 179.24 178.91 2h1n h SER 558 N 0.86 0.00 -3.36 6.45 4.64 -0.96 -3.44 113.55 117.74 2h1n h SER 558 Ca 0.22 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.98 2h1n h SER 558 Cb -0.02 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.02 2h1n h SER 558 CO -0.04 0.00 0.16 -0.69 -0.87 0.00 0.00 176.83 175.39 2h1n s VAL 559 N -3.35 5.01 -1.13 0.95 1.01 -0.98 -4.98 120.40 116.92 2h1n s VAL 559 Ca 0.05 1.52 -0.21 0.00 0.00 0.00 0.00 61.98 63.34 2h1n s VAL 559 Cb 0.09 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.43 2h1n s VAL 559 CO 0.52 0.21 1.66 -0.62 0.00 0.00 0.00 175.10 176.86 2h1n s ASP 560 N 0.89 6.34 0.45 3.32 2.15 -1.26 -4.84 116.67 123.72 2h1n s ASP 560 Ca 0.39 -1.77 0.13 0.00 0.43 0.00 0.00 52.55 51.73 2h1n s ASP 560 Cb -0.18 -2.57 1.00 0.00 -0.30 0.00 0.00 42.92 40.86 2h1n s ASP 560 CO 0.18 -1.66 2.02 -2.24 -0.17 0.00 0.00 175.17 173.30 2h1n h ASP 561 N 9.11 0.11 0.24 -0.34 3.04 -1.94 -2.04 116.42 124.61 2h1n h ASP 561 Ca 0.28 -0.01 -0.07 0.00 -3.24 0.00 0.00 57.03 53.99 2h1n h ASP 561 Cb 0.95 -0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 39.20 2h1n h ASP 561 CO 1.40 0.21 -0.29 0.11 -2.04 0.00 0.00 179.24 178.62 2h1n h LYS 562 N 0.12 0.09 0.00 4.15 1.57 -1.97 -2.87 116.57 117.67 2h1n h LYS 562 Ca 0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2h1n h LYS 562 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2h1n h LYS 562 CO 0.01 0.38 -0.31 0.00 -0.57 0.00 0.00 179.45 178.96 2h1n h ALA 563 N 1.62 0.85 0.00 3.86 0.00 -1.78 -3.51 119.26 120.30 2h1n h ALA 563 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2h1n h ALA 563 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2h1n h ALA 563 CO 0.04 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.63