#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkd s SER 2 N 0.00 3.58 0.22 6.12 1.04 -1.26 -4.73 113.70 118.66 2dkd s SER 2 Ca 0.00 0.99 -0.09 0.00 0.48 0.00 0.00 55.95 57.33 2dkd s SER 2 Cb 0.00 -1.58 0.17 0.00 0.10 0.00 0.00 66.02 64.71 2dkd s SER 2 CO 0.00 -2.51 1.87 -0.29 0.98 0.00 0.00 173.24 173.28 2dkd h ILE 3 N -1.47 1.22 0.18 -1.02 6.09 -1.99 -1.63 117.51 118.88 2dkd h ILE 3 Ca -0.50 -0.47 0.01 0.00 -1.37 0.00 0.00 64.86 62.53 2dkd h ILE 3 Cb 1.33 0.08 -0.02 0.00 0.47 0.00 0.00 36.82 38.68 2dkd h ILE 3 CO 0.62 0.23 -0.22 -0.33 -3.07 0.00 0.00 178.15 175.38 2dkd h GLU 4 N 1.10 -0.43 -0.11 2.19 3.07 -1.93 -1.03 114.58 117.45 2dkd h GLU 4 Ca 0.29 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.21 2dkd h GLU 4 Cb -0.06 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 2dkd h GLU 4 CO -0.06 -0.29 -0.08 1.96 -1.40 0.00 0.00 179.01 179.15 2dkd h GLN 5 N -0.44 -0.08 -0.40 2.33 4.20 -1.87 -0.66 115.11 118.18 2dkd h GLN 5 Ca 0.01 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2dkd h GLN 5 Cb 0.43 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2dkd h GLN 5 CO -0.08 -0.06 0.20 1.79 -0.67 0.00 0.00 178.83 180.02 2dkd h THR 6 N -0.09 1.17 -0.47 -0.54 1.35 -1.23 -3.00 112.91 110.10 2dkd h THR 6 Ca 0.07 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2dkd h THR 6 Cb 0.19 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 67.33 2dkd h THR 6 CO -0.16 0.18 0.31 0.25 -0.25 0.00 0.00 175.52 175.84 2dkd h LEU 7 N 0.51 0.55 -2.39 3.87 5.85 -0.99 -2.49 115.31 120.23 2dkd h LEU 7 Ca 0.14 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2dkd h LEU 7 Cb 0.10 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2dkd h LEU 7 CO -0.02 0.42 0.18 0.77 -0.34 0.00 0.00 178.44 179.45 2dkd h SER 8 N 0.64 0.00 1.44 1.25 4.64 -0.98 0.12 113.55 120.66 2dkd h SER 8 Ca 0.17 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 2dkd h SER 8 Cb -0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2dkd h SER 8 CO -0.04 0.00 -0.09 -0.61 -0.87 0.00 0.00 176.83 175.22 2dkd h GLN 9 N 0.00 0.00 0.00 4.77 4.15 -1.39 -3.37 115.11 119.28 2dkd h GLN 9 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2dkd h GLN 9 Cb 0.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2dkd h GLN 9 CO -0.00 0.09 -0.95 0.66 -1.93 0.00 0.00 178.83 176.70 2dkd n TYR 10 N -3.16 0.00 -0.28 3.99 4.02 -0.52 -4.81 117.16 116.41 2dkd n TYR 10 Ca 0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.97 2dkd n TYR 10 Cb 0.46 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.95 2dkd n TYR 10 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2dkd h LEU 11 N 0.00 -0.48 -1.95 7.72 5.85 -1.18 -1.05 115.31 124.22 2dkd h LEU 11 Ca 0.00 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2dkd h LEU 11 Cb 0.52 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 2dkd h LEU 11 CO 0.00 -0.24 -0.02 1.55 -0.34 0.00 0.00 178.44 179.39 2dkd h PRO 12 N 0.06 0.01 0.00 5.25 0.13 -1.85 -1.81 132.00 133.79 2dkd h PRO 12 Ca 0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.57 2dkd h PRO 12 Cb 0.79 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2dkd h PRO 12 CO -0.76 0.03 0.00 0.43 -0.23 0.00 0.00 178.00 177.47 2dkd n SER 13 N -4.51 0.00 -3.39 1.44 7.64 -0.40 -4.25 113.62 110.15 2dkd n SER 13 Ca -0.03 -0.33 -0.26 0.00 1.01 0.00 0.00 58.87 59.26 2dkd n SER 13 Cb 0.11 -0.13 -0.09 0.00 -1.01 0.00 0.00 64.21 63.08 2dkd n SER 13 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2dkd n HIS 14 N -1.13 -0.00 -2.01 1.43 8.25 -0.68 -5.07 115.22 116.01 2dkd n HIS 14 Ca 0.12 -3.55 -0.34 0.00 -0.26 0.00 0.00 57.72 53.69 2dkd n HIS 14 Cb 0.11 -0.07 0.03 0.00 1.12 0.00 0.00 29.99 31.17 2dkd n HIS 14 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2dkd s PRO 15 N -0.65 3.05 -0.10 -0.41 0.04 -1.26 -4.76 135.00 130.90 2dkd s PRO 15 Ca 0.33 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 2dkd s PRO 15 Cb 0.08 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2dkd s PRO 15 CO -0.16 -1.08 0.11 0.21 0.04 0.00 0.00 177.00 176.12 2dkd s LYS 16 N -3.62 3.33 0.30 4.56 2.20 -1.26 -4.42 119.74 120.84 2dkd s LYS 16 Ca 0.71 -0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.82 2dkd s LYS 16 Cb -0.24 -3.09 -0.10 0.00 -1.51 0.00 0.00 37.83 32.89 2dkd s LYS 16 CO 0.34 0.75 1.16 -1.25 -0.36 0.00 0.00 175.35 175.99 2dkd s PRO 17 N -1.07 4.53 0.69 4.03 0.04 -1.26 -5.03 135.00 136.93 2dkd s PRO 17 Ca 0.16 1.91 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 2dkd s PRO 17 Cb -0.12 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2dkd s PRO 17 CO 0.05 0.07 1.07 1.14 0.04 0.00 0.00 177.00 179.37 2dkd s GLN 18 N -1.60 2.98 -1.45 4.56 0.00 -1.26 -4.30 119.66 118.59 2dkd s GLN 18 Ca 0.46 0.62 0.00 0.00 -0.00 0.00 0.00 55.36 56.44 2dkd s GLN 18 Cb -0.34 -2.02 0.00 0.00 0.00 0.00 0.00 33.01 30.65 2dkd s GLN 18 CO 0.44 -0.99 0.00 0.41 0.00 0.00 0.00 175.29 175.15 2dkd n GLY 19 N -2.71 1.30 3.27 2.60 0.00 -1.26 -4.98 105.19 103.40 2dkd n GLY 19 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2dkd n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dkd s VAL 20 N -2.12 2.07 -0.21 1.61 1.01 -1.26 -5.11 120.40 116.38 2dkd s VAL 20 Ca 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 60.86 2dkd s VAL 20 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2dkd s VAL 20 CO 0.00 0.57 0.02 -0.89 0.00 0.00 0.00 175.10 174.80 2dkd s THR 21 N -0.13 4.10 0.30 3.92 2.01 -1.26 -5.00 115.64 119.59 2dkd s THR 21 Ca -0.05 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.74 2dkd s THR 21 Cb -0.14 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 2dkd s THR 21 CO 0.04 0.40 0.45 -0.36 -0.69 0.00 0.00 174.62 174.46 2dkd s PHE 22 N 1.16 3.37 -0.21 4.92 0.40 -1.26 -5.12 117.98 121.24 2dkd s PHE 22 Ca 0.03 0.03 -0.07 0.00 -0.60 0.00 0.00 56.93 56.32 2dkd s PHE 22 Cb -0.14 -1.79 0.10 0.00 0.51 0.00 0.00 43.02 41.69 2dkd s PHE 22 CO 0.02 0.21 0.45 0.99 0.70 0.00 0.00 175.22 177.59 2dkd s THR 23 N -2.14 -0.70 -0.42 0.64 2.01 -1.26 -4.87 115.64 108.91 2dkd s THR 23 Ca 0.39 0.14 -0.27 0.00 0.31 0.00 0.00 61.69 62.25 2dkd s THR 23 Cb -0.09 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.72 2dkd s THR 23 CO 0.32 0.05 1.02 -0.47 -0.69 0.00 0.00 174.62 174.85 2dkd s TYR 24 N 2.65 2.97 0.00 4.92 5.04 -1.26 -4.61 117.35 127.06 2dkd s TYR 24 Ca -0.01 0.75 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 2dkd s TYR 24 Cb -0.12 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.20 2dkd s TYR 24 CO -0.14 -1.02 0.00 0.41 -1.34 0.00 0.00 175.55 173.46 2dkd n GLY 25 N 4.56 4.14 0.49 8.97 0.00 -1.05 -4.79 105.19 117.50 2dkd n GLY 25 Ca 0.09 -0.51 0.31 0.00 0.00 0.00 0.00 46.02 45.91 2dkd n GLY 25 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2dkd h THR 26 N 0.00 0.46 -0.80 2.61 2.02 -1.92 -2.64 112.91 112.64 2dkd h THR 26 Ca 0.00 -0.03 -0.32 0.00 0.77 0.00 0.00 66.41 66.82 2dkd h THR 26 Cb 0.00 0.36 -0.38 0.00 -1.74 0.00 0.00 68.15 66.39 2dkd h THR 26 CO 0.00 0.02 -1.10 0.00 0.37 0.00 0.00 175.52 174.81 2dkd n ALA 27 N -2.69 3.09 -0.83 6.16 0.00 -1.26 -5.11 120.51 119.86 2dkd n ALA 27 Ca 0.24 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.81 2dkd n ALA 27 Cb 1.11 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2dkd n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dkd n GLY 28 N -0.23 2.37 3.72 0.00 0.00 -1.00 -4.35 105.19 105.71 2dkd n GLY 28 Ca 0.07 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 2dkd n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dkd s PHE 29 N 0.00 3.50 -0.13 1.61 0.40 -0.73 -2.54 117.98 120.09 2dkd s PHE 29 Ca 0.00 0.80 -0.05 0.00 -0.60 0.00 0.00 56.93 57.09 2dkd s PHE 29 Cb 0.00 -2.49 0.06 0.00 0.51 0.00 0.00 43.02 41.10 2dkd s PHE 29 CO 0.00 0.18 0.25 0.50 0.70 0.00 0.00 175.22 176.86 2dkd s ARG 30 N 0.59 0.14 0.00 0.44 3.52 -1.26 -0.78 118.95 121.60 2dkd s ARG 30 Ca 0.23 0.72 0.00 0.00 -0.13 0.00 0.00 55.73 56.56 2dkd s ARG 30 Cb -0.14 -0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.17 2dkd s ARG 30 CO 0.08 -0.29 0.00 0.00 -0.81 0.00 0.00 175.30 174.28 2dkd n MET 31 N 5.35 0.00 -2.13 5.12 0.00 -0.87 -5.02 117.12 119.57 2dkd n MET 31 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.22 2dkd n MET 31 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.69 2dkd n MET 31 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2dkd s LYS 32 N -1.06 4.30 0.33 3.17 -0.14 -1.26 -1.34 119.74 123.74 2dkd s LYS 32 Ca 0.00 2.12 0.12 0.00 -1.36 0.00 0.00 55.97 56.85 2dkd s LYS 32 Cb 0.00 -3.24 0.99 0.00 -1.68 0.00 0.00 37.83 33.90 2dkd s LYS 32 CO 0.00 -0.47 1.70 0.00 -0.76 0.00 0.00 175.35 175.82 2dkd h ALA 33 N 6.82 1.88 0.00 5.17 0.00 -1.16 -0.39 119.26 131.58 2dkd h ALA 33 Ca -0.42 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2dkd h ALA 33 Cb 1.21 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2dkd h ALA 33 CO 0.87 -0.42 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 2dkd n ASP 34 N -4.96 0.00 -0.33 0.00 5.68 -1.26 -2.11 116.55 113.58 2dkd n ASP 34 Ca 0.29 -0.71 0.05 0.00 -0.50 0.00 0.00 54.79 53.92 2dkd n ASP 34 Cb 0.86 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.92 2dkd n ASP 34 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2dkd n LYS 35 N -0.77 0.66 0.00 0.11 5.02 -0.16 -4.78 118.16 118.24 2dkd n LYS 35 Ca 0.06 -1.85 0.03 0.00 -2.02 0.00 0.00 58.31 54.53 2dkd n LYS 35 Cb 0.03 -1.00 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 2dkd n LYS 35 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2dkd n LEU 36 N -0.71 0.66 0.02 -0.35 7.94 -0.90 -4.67 117.00 119.00 2dkd n LEU 36 Ca 0.08 -0.65 -0.11 0.00 -1.11 0.00 0.00 56.01 54.23 2dkd n LEU 36 Cb 0.68 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.58 2dkd n LEU 36 CO 0.00 0.14 0.84 -0.78 -1.11 0.00 0.00 177.39 176.49 2dkd h ASP 37 N 0.40 -0.12 -0.40 1.96 1.82 -1.87 0.93 116.42 119.14 2dkd h ASP 37 Ca 0.00 0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.58 2dkd h ASP 37 Cb 0.18 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2dkd h ASP 37 CO 0.00 -0.06 -0.11 0.22 -1.61 0.00 0.00 179.24 177.69 2dkd h TYR 38 N -0.04 0.88 0.39 0.28 3.20 -1.85 -2.30 116.97 117.52 2dkd h TYR 38 Ca 0.04 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 2dkd h TYR 38 Cb 0.10 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2dkd h TYR 38 CO -0.14 0.91 -0.31 0.28 -1.64 0.00 0.00 178.16 177.27 2dkd h VAL 39 N 0.59 0.37 0.00 1.81 2.07 -1.77 -1.79 116.25 117.52 2dkd h VAL 39 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 2dkd h VAL 39 Cb 0.64 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2dkd h VAL 39 CO 0.04 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.56 2dkd h THR 40 N -0.69 0.74 0.11 2.57 1.03 -0.85 -1.32 112.91 114.49 2dkd h THR 40 Ca -0.03 -0.27 -0.01 0.00 -0.01 0.00 0.00 66.41 66.10 2dkd h THR 40 Cb 0.60 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 2dkd h THR 40 CO -0.01 0.07 -0.05 0.15 -0.01 0.00 0.00 175.52 175.67 2dkd h PHE 41 N 0.00 -0.13 0.00 0.00 3.57 -0.77 -2.19 116.94 117.42 2dkd h PHE 41 Ca -0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2dkd h PHE 41 Cb 0.15 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2dkd h PHE 41 CO 0.00 -0.05 -0.20 1.79 -2.23 0.00 0.00 178.31 177.63 2dkd h THR 42 N -0.18 1.05 -0.09 4.41 1.35 -0.47 -1.47 112.91 117.52 2dkd h THR 42 Ca -0.01 -0.69 -0.06 0.00 -0.55 0.00 0.00 66.41 65.10 2dkd h THR 42 Cb 0.15 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 2dkd h THR 42 CO 0.02 0.19 -0.21 0.58 -0.25 0.00 0.00 175.52 175.86 2dkd h VAL 43 N 0.00 1.20 -0.29 6.82 2.07 -0.75 -0.59 116.25 124.71 2dkd h VAL 43 Ca -0.00 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 2dkd h VAL 43 Cb 0.36 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2dkd h VAL 43 CO 0.03 0.27 -0.11 1.23 0.02 0.00 0.00 177.57 179.01 2dkd h GLY 44 N 0.81 0.53 0.59 2.17 0.00 -0.69 -0.62 103.07 105.85 2dkd h GLY 44 Ca 0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2dkd h GLY 44 CO 0.03 0.33 -0.04 -2.22 0.00 0.00 0.00 176.54 174.64 2dkd h ILE 45 N 0.45 1.13 -0.65 2.60 2.04 -1.07 -2.83 117.51 119.19 2dkd h ILE 45 Ca 0.09 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.07 2dkd h ILE 45 Cb 0.47 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2dkd h ILE 45 CO 0.03 0.21 0.43 -0.29 0.00 0.00 0.00 178.15 178.53 2dkd h ILE 46 N -0.54 1.14 -0.37 -0.67 6.09 -0.96 -1.37 117.51 120.83 2dkd h ILE 46 Ca -0.01 -0.29 -0.01 0.00 -1.37 0.00 0.00 64.86 63.18 2dkd h ILE 46 Cb 0.45 0.23 -0.02 0.00 0.47 0.00 0.00 36.82 37.94 2dkd h ILE 46 CO 0.02 0.15 0.18 0.00 -3.07 0.00 0.00 178.15 175.44 2dkd h ALA 47 N 1.61 0.47 -0.50 0.18 0.00 -1.09 0.23 119.26 120.16 2dkd h ALA 47 Ca 0.24 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2dkd h ALA 47 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2dkd h ALA 47 CO -0.06 0.03 0.03 1.03 0.00 0.00 0.00 179.25 180.28 2dkd h SER 48 N 0.46 0.84 -0.75 0.00 0.87 -1.20 -1.50 113.55 112.27 2dkd h SER 48 Ca 0.13 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2dkd h SER 48 Cb 0.11 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 2dkd h SER 48 CO -0.02 0.93 0.36 -0.07 -0.53 0.00 0.00 176.83 177.50 2dkd h LEU 49 N 0.73 0.99 -0.49 2.23 3.38 -0.98 -1.57 115.31 119.61 2dkd h LEU 49 Ca 0.15 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2dkd h LEU 49 Cb 0.48 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2dkd h LEU 49 CO 0.02 0.84 0.21 -0.09 0.09 0.00 0.00 178.44 179.51 2dkd h ARG 50 N 1.09 0.73 -0.03 1.13 9.65 -0.25 0.87 114.38 127.57 2dkd h ARG 50 Ca 0.26 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 59.03 2dkd h ARG 50 Cb 0.12 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 2dkd h ARG 50 CO -0.03 0.64 -0.01 1.03 2.80 0.00 0.00 179.97 184.39 2dkd h SER 51 N 0.65 -0.05 -0.75 -3.80 0.87 -0.85 -1.34 113.55 108.28 2dkd h SER 51 Ca 0.17 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2dkd h SER 51 Cb 0.17 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 2dkd h SER 51 CO -0.02 -0.02 0.45 0.11 -0.53 0.00 0.00 176.83 176.82 2dkd h LYS 52 N -0.01 1.02 -0.78 2.24 1.57 -1.11 0.49 116.57 119.99 2dkd h LYS 52 Ca 0.02 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2dkd h LYS 52 Cb 0.04 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.09 2dkd h LYS 52 CO -0.04 0.73 0.51 -0.92 -0.57 0.00 0.00 179.45 179.17 2dkd h TYR 53 N 1.03 0.87 -0.54 -1.35 3.20 -0.49 -0.98 116.97 118.71 2dkd h TYR 53 Ca 0.27 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.95 2dkd h TYR 53 Cb -0.02 -0.29 -0.12 0.00 1.54 0.00 0.00 36.73 37.83 2dkd h TYR 53 CO -0.01 0.48 0.26 1.28 -1.64 0.00 0.00 178.16 178.53 2dkd n LEU 54 N -4.47 4.91 -1.98 2.82 4.77 -0.53 -4.90 117.00 117.63 2dkd n LEU 54 Ca 0.11 -2.56 -0.17 0.00 -0.03 0.00 0.00 56.01 53.36 2dkd n LEU 54 Cb 0.18 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.58 2dkd n LEU 54 CO 0.34 0.72 -0.22 0.00 -1.33 0.00 0.00 177.39 176.90 2dkd n GLN 55 N -0.20 -1.42 -0.35 3.23 1.13 -0.37 -3.19 117.38 116.21 2dkd n GLN 55 Ca 0.31 0.83 0.00 0.00 -1.94 0.00 0.00 57.00 56.20 2dkd n GLN 55 Cb 1.11 -5.29 0.00 0.00 0.11 0.00 0.00 30.24 26.17 2dkd n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dkd n GLY 56 N -1.02 0.75 3.73 1.08 0.00 0.17 -4.98 105.19 104.91 2dkd n GLY 56 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2dkd n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkd s LYS 57 N -0.65 2.41 0.09 1.61 -0.14 -1.19 -4.27 119.74 117.59 2dkd s LYS 57 Ca 0.00 2.03 -0.30 0.00 -1.36 0.00 0.00 55.97 56.34 2dkd s LYS 57 Cb 0.00 -1.83 -0.06 0.00 -1.68 0.00 0.00 37.83 34.26 2dkd s LYS 57 CO 0.00 -1.70 1.13 0.99 -0.76 0.00 0.00 175.35 175.01 2dkd s THR 58 N -1.49 4.13 -0.10 2.17 2.01 -1.26 -4.41 115.64 116.70 2dkd s THR 58 Ca 0.82 1.62 0.04 0.00 0.31 0.00 0.00 61.69 64.47 2dkd s THR 58 Cb -0.37 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.10 2dkd s THR 58 CO 0.41 0.18 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.60 2dkd s VAL 59 N 0.63 2.21 0.27 3.82 1.01 -0.54 -3.63 120.40 124.18 2dkd s VAL 59 Ca 0.54 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2dkd s VAL 59 Cb -0.28 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2dkd s VAL 59 CO 0.31 0.56 0.26 -0.83 0.00 0.00 0.00 175.10 175.39 2dkd s GLY 60 N 0.25 1.45 -0.02 4.51 0.00 -0.53 -1.64 107.32 111.34 2dkd s GLY 60 Ca -0.15 -1.43 0.02 0.00 0.00 0.00 0.00 44.72 43.16 2dkd s GLY 60 CO 0.08 -1.44 -0.07 0.14 0.00 0.00 0.00 173.10 171.81 2dkd s VAL 61 N -2.14 0.61 -0.11 1.40 1.01 0.29 -0.41 120.40 121.04 2dkd s VAL 61 Ca 0.35 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2dkd s VAL 61 Cb -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.76 2dkd s VAL 61 CO 0.26 0.20 -0.19 -0.32 0.00 0.00 0.00 175.10 175.05 2dkd s MET 62 N 0.23 2.59 -0.40 2.72 0.00 -0.57 -2.02 119.30 121.86 2dkd s MET 62 Ca -0.03 -0.70 -0.16 0.00 0.00 0.00 0.00 55.69 54.79 2dkd s MET 62 Cb -0.08 -2.10 0.01 0.00 0.00 0.00 0.00 34.83 32.67 2dkd s MET 62 CO 0.00 0.01 0.38 0.42 0.00 0.00 0.00 175.02 175.83 2dkd s ILE 63 N 0.78 5.15 -0.20 10.11 -1.09 -0.36 -2.14 121.20 133.44 2dkd s ILE 63 Ca -0.10 -0.32 -0.35 0.00 -2.23 0.00 0.00 60.65 57.65 2dkd s ILE 63 Cb -0.16 -3.95 0.14 0.00 -1.58 0.00 0.00 42.46 36.91 2dkd s ILE 63 CO 0.01 -0.31 1.23 0.28 -1.23 0.00 0.00 174.94 174.92 2dkd s THR 64 N 2.00 0.00 -0.09 2.92 -1.32 0.07 -0.95 115.64 118.27 2dkd s THR 64 Ca 0.10 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.71 2dkd s THR 64 Cb -0.17 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.01 2dkd s THR 64 CO 0.12 0.00 1.10 0.00 -2.21 0.00 0.00 174.62 173.63 2dkd n ALA 65 N -0.06 2.17 -0.85 11.08 0.00 -1.26 -2.26 120.51 129.34 2dkd n ALA 65 Ca 0.01 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.35 2dkd n ALA 65 Cb 0.58 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2dkd n ALA 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dkd n SER 66 N -0.97 0.00 -0.98 0.00 2.88 -1.26 -1.46 113.62 111.83 2dkd n SER 66 Ca 0.11 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.74 2dkd n SER 66 Cb 0.66 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.32 2dkd n SER 66 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dkd n HIS 67 N 0.00 0.53 -0.67 0.66 1.44 -1.26 -3.73 115.22 112.19 2dkd n HIS 67 Ca 0.00 -0.33 -0.29 0.00 -2.01 0.00 0.00 57.72 55.09 2dkd n HIS 67 Cb 0.00 -0.01 0.22 0.00 0.12 0.00 0.00 29.99 30.33 2dkd n HIS 67 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 2dkd s ASN 68 N -1.19 1.61 0.69 4.39 -0.87 -0.54 -4.98 114.94 114.06 2dkd s ASN 68 Ca 0.34 1.61 -0.14 0.00 -1.57 0.00 0.00 52.86 53.09 2dkd s ASN 68 Cb 0.19 -2.30 0.02 0.00 -0.02 0.00 0.00 41.25 39.13 2dkd s ASN 68 CO 0.26 -3.82 1.12 -2.16 -2.57 0.00 0.00 177.10 169.93 2dkd s PRO 69 N -4.57 2.60 0.38 -0.60 0.04 -1.26 -4.92 135.00 126.66 2dkd s PRO 69 Ca 0.67 1.42 0.20 0.00 0.04 0.00 0.00 61.00 63.33 2dkd s PRO 69 Cb -0.24 -1.92 1.19 0.00 0.04 0.00 0.00 34.50 33.58 2dkd s PRO 69 CO 0.62 -1.41 1.67 -1.35 0.04 0.00 0.00 177.00 176.56 2dkd h PRO 70 N -0.20 0.25 0.00 0.56 0.11 -1.85 -2.02 132.00 128.85 2dkd h PRO 70 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2dkd h PRO 70 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2dkd h PRO 70 CO 0.53 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.63 2dkd n GLU 71 N -4.90 0.16 -3.00 1.05 0.00 -1.26 -4.66 120.64 108.04 2dkd n GLU 71 Ca 0.32 0.35 -0.20 0.00 0.00 0.00 0.00 57.16 57.63 2dkd n GLU 71 Cb 1.10 -1.78 0.07 0.00 0.00 0.00 0.00 31.44 30.83 2dkd n GLU 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2dkd s ASP 72 N -4.01 4.96 0.17 -1.84 1.01 -0.76 -0.73 116.67 115.47 2dkd s ASP 72 Ca 0.06 -0.85 -0.23 0.00 0.71 0.00 0.00 52.55 52.24 2dkd s ASP 72 Cb 0.10 0.38 0.08 0.00 1.01 0.00 0.00 42.92 44.49 2dkd s ASP 72 CO 0.40 -1.46 1.05 0.21 0.21 0.00 0.00 175.17 175.58 2dkd s ASN 73 N -4.71 -0.01 0.24 0.27 3.84 -0.45 -4.50 114.94 109.62 2dkd s ASN 73 Ca 0.63 -0.63 -0.21 0.00 0.21 0.00 0.00 52.86 52.85 2dkd s ASN 73 Cb -0.05 0.48 0.06 0.00 -0.55 0.00 0.00 41.25 41.19 2dkd s ASN 73 CO 0.40 -0.95 0.90 -0.83 -2.79 0.00 0.00 177.10 173.83 2dkd s GLY 74 N -3.39 0.03 -0.09 1.21 0.00 -0.96 -2.06 107.32 102.06 2dkd s GLY 74 Ca 0.21 -0.28 -0.08 0.00 0.00 0.00 0.00 44.72 44.58 2dkd s GLY 74 CO 0.05 0.56 0.24 0.54 0.00 0.00 0.00 173.10 174.49 2dkd s VAL 75 N -2.87 -0.01 0.06 1.40 0.11 0.04 -0.75 120.40 118.38 2dkd s VAL 75 Ca 0.15 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.25 2dkd s VAL 75 Cb -0.03 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 2dkd s VAL 75 CO 0.06 0.01 -0.09 -0.54 -3.33 0.00 0.00 175.10 171.22 2dkd s LYS 76 N 0.32 0.64 -0.10 1.54 1.02 -0.91 -1.77 119.74 120.49 2dkd s LYS 76 Ca -0.02 -0.91 -0.03 0.00 0.02 0.00 0.00 55.97 55.03 2dkd s LYS 76 Cb -0.03 -0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 36.88 2dkd s LYS 76 CO -0.01 0.06 0.01 0.08 -0.92 0.00 0.00 175.35 174.57 2dkd s VAL 77 N -1.84 4.41 -0.17 3.17 1.01 -1.26 -1.51 120.40 124.21 2dkd s VAL 77 Ca -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2dkd s VAL 77 Cb -0.07 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 2dkd s VAL 77 CO -0.00 0.60 -0.12 -0.69 0.00 0.00 0.00 175.10 174.88 2dkd s VAL 78 N -0.78 2.90 0.88 2.92 1.01 0.45 -1.44 120.40 126.34 2dkd s VAL 78 Ca 0.12 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 2dkd s VAL 78 Cb -0.12 -2.25 0.12 0.00 0.00 0.00 0.00 36.38 34.13 2dkd s VAL 78 CO 0.02 0.50 1.10 -1.81 0.00 0.00 0.00 175.10 174.90 2dkd s ASP 79 N 0.92 3.68 0.35 3.32 1.01 0.77 -1.45 116.67 125.26 2dkd s ASP 79 Ca -0.03 1.38 0.16 0.00 0.71 0.00 0.00 52.55 54.78 2dkd s ASP 79 Cb -0.15 -2.07 1.16 0.00 1.01 0.00 0.00 42.92 42.87 2dkd s ASP 79 CO -0.01 -2.50 1.62 -0.65 0.21 0.00 0.00 175.17 173.84 2dkd h PRO 80 N -1.45 0.14 0.00 8.23 0.11 -1.85 0.12 132.00 137.29 2dkd h PRO 80 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2dkd h PRO 80 Cb 1.29 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2dkd h PRO 80 CO 0.56 0.09 0.00 1.28 -0.21 0.00 0.00 178.00 179.72 2dkd n LEU 81 N -5.20 0.00 0.00 2.35 4.77 -1.26 -3.85 117.00 113.82 2dkd n LEU 81 Ca 0.33 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 2dkd n LEU 81 Cb 1.09 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 2dkd n LEU 81 CO 0.04 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 2dkd n GLY 82 N 1.12 0.80 3.96 -0.72 0.00 0.03 -4.73 105.19 105.65 2dkd n GLY 82 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2dkd n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkd s SER 83 N -2.36 6.21 0.76 1.61 1.04 -1.25 -4.76 113.70 114.95 2dkd s SER 83 Ca 0.00 0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.53 2dkd s SER 83 Cb 0.00 -1.82 0.05 0.00 0.10 0.00 0.00 66.02 64.35 2dkd s SER 83 CO 0.00 -0.29 1.16 -0.04 0.98 0.00 0.00 173.24 175.05 2dkd s MET 84 N -4.22 2.07 0.19 4.02 -1.94 -1.26 -0.16 119.30 117.99 2dkd s MET 84 Ca 0.40 1.57 -0.31 0.00 -1.71 0.00 0.00 55.69 55.64 2dkd s MET 84 Cb -0.09 -1.84 -0.16 0.00 2.01 0.00 0.00 34.83 34.74 2dkd s MET 84 CO 0.33 -1.85 0.97 -0.11 -0.01 0.00 0.00 175.02 174.35 2dkd n LEU 85 N -3.05 0.83 -4.63 -0.03 7.94 -0.52 -4.37 117.00 113.16 2dkd n LEU 85 Ca 0.12 1.15 -0.45 0.00 -1.11 0.00 0.00 56.01 55.72 2dkd n LEU 85 Cb 0.51 -1.15 -0.02 0.00 0.53 0.00 0.00 43.42 43.29 2dkd n LEU 85 CO 0.49 -1.76 0.81 1.21 -1.11 0.00 0.00 177.39 177.02 2dkd n GLU 86 N 1.29 1.65 -0.26 1.96 2.13 -1.26 -4.88 120.64 121.27 2dkd n GLU 86 Ca 0.15 0.58 0.07 0.00 0.66 0.00 0.00 57.16 58.62 2dkd n GLU 86 Cb 0.25 -2.12 0.19 0.00 0.27 0.00 0.00 31.44 30.03 2dkd n GLU 86 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2dkd h SER 87 N 3.22 -0.14 0.26 4.31 0.02 -2.03 -1.31 113.55 117.88 2dkd h SER 87 Ca -0.43 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2dkd h SER 87 Cb 1.31 0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2dkd h SER 87 CO 0.69 -0.12 0.00 0.77 -1.14 0.00 0.00 176.83 177.03 2dkd h SER 88 N 0.18 0.00 0.51 3.07 4.64 -2.02 -2.22 113.55 117.71 2dkd h SER 88 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2dkd h SER 88 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2dkd h SER 88 CO -0.60 0.00 -0.67 0.79 -0.87 0.00 0.00 176.83 175.48 2dkd n TRP 89 N -2.73 0.15 -0.08 4.77 7.02 -0.49 -3.89 117.44 122.20 2dkd n TRP 89 Ca -0.01 0.05 0.01 0.00 -1.02 0.00 0.00 57.50 56.52 2dkd n TRP 89 Cb 0.12 -0.34 0.31 0.00 -2.42 0.00 0.00 31.31 28.98 2dkd n TRP 89 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 2dkd h GLU 90 N 0.00 0.70 -0.70 -0.99 5.08 -1.43 -1.92 114.58 115.32 2dkd h GLU 90 Ca 0.00 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2dkd h GLU 90 Cb 0.59 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2dkd h GLU 90 CO 0.00 0.54 0.33 -0.22 -1.00 0.00 0.00 179.01 178.66 2dkd h LYS 91 N 0.70 1.01 -0.47 2.33 1.63 -1.73 -1.10 116.57 118.94 2dkd h LYS 91 Ca 0.18 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.76 2dkd h LYS 91 Cb 0.08 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 2dkd h LYS 91 CO -0.02 0.81 0.05 1.88 -3.45 0.00 0.00 179.45 178.72 2dkd h TYR 92 N 0.98 0.85 -0.91 1.91 0.99 -1.58 -0.68 116.97 118.53 2dkd h TYR 92 Ca 0.24 -0.13 0.01 0.00 2.00 0.00 0.00 58.73 60.85 2dkd h TYR 92 Cb 0.13 -0.23 -0.05 0.00 1.00 0.00 0.00 36.73 37.59 2dkd h TYR 92 CO 0.01 0.80 0.60 0.00 -0.00 0.00 0.00 178.16 179.57 2dkd h ALA 93 N 0.94 1.16 -0.75 3.88 0.00 -1.11 -1.88 119.26 121.51 2dkd h ALA 93 Ca 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2dkd h ALA 93 Cb 0.42 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2dkd h ALA 93 CO 0.01 0.54 0.23 1.15 0.00 0.00 0.00 179.25 181.18 2dkd h THR 94 N 1.23 1.26 0.00 0.00 2.02 -0.76 -2.44 112.91 114.22 2dkd h THR 94 Ca 0.34 -0.92 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 2dkd h THR 94 Cb -0.12 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2dkd h THR 94 CO -0.08 0.36 -0.33 0.44 0.37 0.00 0.00 175.52 176.29 2dkd h ASP 95 N 1.12 0.00 -0.04 4.18 3.32 -0.49 -1.63 116.42 122.87 2dkd h ASP 95 Ca 0.24 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 2dkd h ASP 95 Cb 0.32 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.88 2dkd h ASP 95 CO -0.01 0.33 -0.60 -0.07 -1.72 0.00 0.00 179.24 177.17 2dkd h LEU 96 N 0.00 0.59 -1.28 1.55 3.38 -1.09 -2.48 115.31 115.98 2dkd h LEU 96 Ca -0.00 -0.71 -0.06 0.00 0.09 0.00 0.00 57.88 57.19 2dkd h LEU 96 Cb 0.67 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2dkd h LEU 96 CO 0.04 1.22 -0.20 0.00 0.09 0.00 0.00 178.44 179.59 2dkd h ALA 97 N 0.38 1.40 -0.01 1.53 0.00 -1.30 -2.40 119.26 118.87 2dkd h ALA 97 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2dkd h ALA 97 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dkd h ALA 97 CO 0.12 0.42 -0.17 0.09 0.00 0.00 0.00 179.25 179.70 2dkd n ASN 98 N -4.21 0.90 -4.82 0.00 3.02 -0.63 -4.86 115.26 104.66 2dkd n ASN 98 Ca -0.01 -0.87 -0.30 0.00 -0.03 0.00 0.00 54.58 53.37 2dkd n ASN 98 Cb 0.32 0.05 0.08 0.00 -0.61 0.00 0.00 39.78 39.62 2dkd n ASN 98 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dkd s ALA 99 N -2.42 2.41 -0.21 5.41 0.00 -0.90 -5.04 121.76 121.00 2dkd s ALA 99 Ca 0.28 -0.22 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 2dkd s ALA 99 Cb 0.20 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 2dkd s ALA 99 CO 0.48 -1.58 0.06 -1.12 0.00 0.00 0.00 175.76 173.60 2dkd s SER 100 N -4.00 5.28 0.30 0.00 0.01 -0.33 -4.77 113.70 110.19 2dkd s SER 100 Ca 0.60 -0.09 -0.02 0.00 1.31 0.00 0.00 55.95 57.75 2dkd s SER 100 Cb -0.14 -1.92 0.46 0.00 0.21 0.00 0.00 66.02 64.63 2dkd s SER 100 CO 0.54 0.06 1.97 1.55 0.41 0.00 0.00 173.24 177.77 2dkd h PRO 101 N 7.51 1.06 -4.33 12.44 0.13 -1.94 0.43 132.00 147.30 2dkd h PRO 101 Ca -0.37 -0.07 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 2dkd h PRO 101 Cb 1.18 -0.24 -0.15 0.00 0.13 0.00 0.00 31.00 31.92 2dkd h PRO 101 CO 0.62 0.71 -0.68 -1.12 -0.23 0.00 0.00 178.00 177.30 2dkd s SER 102 N -6.32 0.59 -0.00 1.44 0.01 -1.26 -4.58 113.70 103.58 2dkd s SER 102 Ca -0.11 -1.02 -0.30 0.00 1.31 0.00 0.00 55.95 55.82 2dkd s SER 102 Cb 0.18 0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 2dkd s SER 102 CO 0.79 -0.59 1.11 -2.16 0.41 0.00 0.00 173.24 172.80 2dkd s PRO 103 N -3.92 4.45 -0.56 12.44 0.04 -1.26 -5.05 135.00 141.15 2dkd s PRO 103 Ca 0.09 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2dkd s PRO 103 Cb 0.08 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2dkd s PRO 103 CO -0.08 -0.24 0.00 -1.71 0.04 0.00 0.00 177.00 175.01 2dkd n ASN 112 N 4.30 -2.13 -4.77 6.66 4.05 -1.26 -5.17 115.26 116.94 2dkd n ASN 112 Ca 0.08 0.13 -0.39 0.00 0.45 0.00 0.00 54.58 54.85 2dkd n ASN 112 Cb 0.48 -1.97 -0.03 0.00 1.23 0.00 0.00 39.78 39.48 2dkd n ASN 112 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 2dkd s SER 113 N -1.36 6.94 0.19 1.20 0.01 -1.26 -1.19 113.70 118.23 2dkd s SER 113 Ca 0.00 2.29 -0.19 0.00 1.31 0.00 0.00 55.95 59.36 2dkd s SER 113 Cb 0.00 -2.62 0.15 0.00 0.21 0.00 0.00 66.02 63.76 2dkd s SER 113 CO 0.00 -0.38 1.60 0.25 0.41 0.00 0.00 173.24 175.12 2dkd h LEU 114 N 3.25 -0.98 -1.77 2.44 5.85 -1.15 0.30 115.31 123.25 2dkd h LEU 114 Ca -0.48 0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.50 2dkd h LEU 114 Cb 1.22 0.51 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 2dkd h LEU 114 CO 0.65 -0.28 0.25 1.62 -0.34 0.00 0.00 178.44 180.33 2dkd h VAL 115 N -0.14 0.97 0.02 1.05 3.04 -1.87 -1.14 116.25 118.18 2dkd h VAL 115 Ca 0.24 -0.10 -0.27 0.00 -1.01 0.00 0.00 66.70 65.56 2dkd h VAL 115 Cb 0.53 0.65 0.02 0.00 -2.01 0.00 0.00 31.29 30.48 2dkd h VAL 115 CO -0.65 0.05 -1.06 -0.33 -1.01 0.00 0.00 177.57 174.57 2dkd h GLU 116 N 0.29 0.67 -0.73 4.17 4.39 -1.37 -2.16 114.58 119.84 2dkd h GLU 116 Ca 0.16 -0.74 -0.05 0.00 0.34 0.00 0.00 59.36 59.07 2dkd h GLU 116 Cb 0.25 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 2dkd h GLU 116 CO -0.03 1.32 0.28 0.28 -1.16 0.00 0.00 179.01 179.69 2dkd h VAL 117 N 0.37 1.25 -0.03 3.13 2.07 -0.61 -0.63 116.25 121.80 2dkd h VAL 117 Ca -0.13 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 2dkd h VAL 117 Cb 1.72 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2dkd h VAL 117 CO 0.21 0.32 0.00 0.40 0.02 0.00 0.00 177.57 178.52 2dkd h ILE 118 N 1.07 1.24 -0.42 4.57 2.04 -1.23 -1.78 117.51 123.00 2dkd h ILE 118 Ca 0.24 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.41 2dkd h ILE 118 Cb 0.23 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 2dkd h ILE 118 CO -0.02 0.19 0.28 0.11 0.00 0.00 0.00 178.15 178.71 2dkd h LYS 119 N -0.24 0.50 -0.45 2.37 1.57 -1.15 -0.37 116.57 118.80 2dkd h LYS 119 Ca 0.01 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2dkd h LYS 119 Cb 0.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2dkd h LYS 119 CO 0.00 0.33 -0.23 -0.91 -0.57 0.00 0.00 179.45 178.07 2dkd h ASN 120 N 0.51 0.98 -0.21 0.86 2.35 -0.92 -1.91 115.58 117.24 2dkd h ASN 120 Ca 0.16 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.48 2dkd h ASN 120 Cb 0.02 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 2dkd h ASN 120 CO -0.04 1.17 0.06 -0.07 -1.65 0.00 0.00 177.43 176.91 2dkd h LEU 121 N 0.79 0.31 -0.82 1.61 3.38 -0.46 0.71 115.31 120.83 2dkd h LEU 121 Ca 0.10 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2dkd h LEU 121 Cb 0.81 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 2dkd h LEU 121 CO 0.07 0.44 0.49 0.58 0.09 0.00 0.00 178.44 180.12 2dkd h VAL 122 N 0.17 1.00 -0.01 1.22 2.07 -1.04 -0.89 116.25 118.77 2dkd h VAL 122 Ca 0.07 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 2dkd h VAL 122 Cb 0.24 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2dkd h VAL 122 CO -0.00 0.16 -0.19 -1.28 0.02 0.00 0.00 177.57 176.28 2dkd h SER 123 N 0.89 0.18 -0.65 0.57 0.87 -1.20 -0.36 113.55 113.85 2dkd h SER 123 Ca 0.37 -0.76 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 2dkd h SER 123 Cb 0.22 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 2dkd h SER 123 CO -0.19 0.91 0.37 0.44 -0.53 0.00 0.00 176.83 177.84 2dkd h ASP 124 N -0.54 0.80 0.88 6.23 3.32 -0.76 -3.01 116.42 123.34 2dkd h ASP 124 Ca -0.02 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2dkd h ASP 124 Cb 0.94 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2dkd h ASP 124 CO 0.04 0.64 -0.54 0.18 -1.72 0.00 0.00 179.24 177.84 2dkd n LEU 125 N -4.56 0.67 -2.13 1.55 4.77 -0.35 -4.97 117.00 111.98 2dkd n LEU 125 Ca 0.05 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 2dkd n LEU 125 Cb 0.07 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2dkd n LEU 125 CO 0.37 -0.04 0.08 0.29 -1.33 0.00 0.00 177.39 176.75 2dkd n LYS 126 N -2.04 -3.51 -2.68 3.23 4.76 -0.49 -4.99 118.16 112.44 2dkd n LYS 126 Ca 0.04 0.41 -0.42 0.00 -2.87 0.00 0.00 58.31 55.47 2dkd n LYS 126 Cb 0.42 -4.16 -0.03 0.00 -1.84 0.00 0.00 35.03 29.42 2dkd n LYS 126 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2dkd s ILE 127 N -3.17 4.79 -0.59 -0.18 1.01 -0.26 -5.00 121.20 117.80 2dkd s ILE 127 Ca 0.11 2.01 -0.19 0.00 0.00 0.00 0.00 60.65 62.57 2dkd s ILE 127 Cb -0.05 -4.29 0.10 0.00 0.01 0.00 0.00 42.46 38.23 2dkd s ILE 127 CO 0.36 0.13 0.72 -0.62 0.00 0.00 0.00 174.94 175.53 2dkd s ASP 128 N 1.03 6.19 0.49 3.58 3.68 -1.26 -4.86 116.67 125.51 2dkd s ASP 128 Ca 0.52 -1.35 0.33 0.00 2.13 0.00 0.00 52.55 54.18 2dkd s ASP 128 Cb -0.21 -2.31 1.74 0.00 -1.45 0.00 0.00 42.92 40.69 2dkd s ASP 128 CO 0.27 -1.12 2.00 -0.07 0.13 0.00 0.00 175.17 176.38 2dkd h LEU 129 N 10.06 0.00 -0.11 -1.34 3.38 -1.94 -1.52 115.31 123.84 2dkd h LEU 129 Ca -0.29 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2dkd h LEU 129 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2dkd h LEU 129 CO 1.10 0.00 -0.14 0.77 0.09 0.00 0.00 178.44 180.26 2dkd h SER 130 N 0.00 0.00 -2.76 -0.43 4.64 -1.91 -3.42 113.55 109.66 2dkd h SER 130 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2dkd h SER 130 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2dkd h SER 130 CO 0.00 0.14 0.99 -0.63 -0.87 0.00 0.00 176.83 176.45 2dkd s ILE 131 N -3.18 3.89 0.10 0.95 1.01 -0.58 -4.93 121.20 118.46 2dkd s ILE 131 Ca 0.06 1.10 -0.33 0.00 0.00 0.00 0.00 60.65 61.47 2dkd s ILE 131 Cb 0.06 -3.71 -0.13 0.00 0.01 0.00 0.00 42.46 38.70 2dkd s ILE 131 CO 0.68 -0.09 1.70 -2.65 0.00 0.00 0.00 174.94 174.59 2dkd n PRO 132 N 6.76 2.33 -3.25 2.79 -0.02 -1.26 -4.78 135.00 137.56 2dkd n PRO 132 Ca 0.15 0.84 -0.34 0.00 -2.02 0.00 0.00 63.50 62.14 2dkd n PRO 132 Cb 0.44 -2.66 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 2dkd n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dkd s ALA 133 N 1.94 3.46 -0.12 3.55 0.00 -0.15 -4.35 121.76 126.10 2dkd s ALA 133 Ca 0.82 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 2dkd s ALA 133 Cb -0.63 -2.64 0.03 0.00 0.00 0.00 0.00 23.12 19.88 2dkd s ALA 133 CO 0.40 0.40 -0.03 -0.80 0.00 0.00 0.00 175.76 175.73 2dkd s ASN 134 N -2.02 2.16 0.03 0.00 0.01 -1.26 -0.80 114.94 113.06 2dkd s ASN 134 Ca 0.46 -0.34 0.01 0.00 -0.71 0.00 0.00 52.86 52.27 2dkd s ASN 134 Cb -0.13 -0.69 -0.02 0.00 0.41 0.00 0.00 41.25 40.82 2dkd s ASN 134 CO 0.19 -0.18 -0.05 0.68 -1.51 0.00 0.00 177.10 176.24 2dkd s VAL 135 N 1.80 0.28 0.06 1.60 -7.23 -0.61 -1.47 120.40 114.83 2dkd s VAL 135 Ca 0.04 -1.10 0.05 0.00 -1.81 0.00 0.00 61.98 59.16 2dkd s VAL 135 Cb -0.13 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 2dkd s VAL 135 CO -0.07 -0.53 -0.15 0.68 -0.31 0.00 0.00 175.10 174.72 2dkd s VAL 136 N -1.77 1.21 0.06 1.32 -7.23 -0.65 -1.34 120.40 112.00 2dkd s VAL 136 Ca -0.11 -1.19 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 2dkd s VAL 136 Cb -0.08 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 2dkd s VAL 136 CO -0.02 -0.08 -0.09 -0.51 -0.31 0.00 0.00 175.10 174.10 2dkd s ILE 137 N -1.04 0.67 0.22 -0.62 2.07 -0.30 -0.55 121.20 121.64 2dkd s ILE 137 Ca 0.01 -1.26 -0.12 0.00 -1.41 0.00 0.00 60.65 57.87 2dkd s ILE 137 Cb -0.09 -0.86 -0.00 0.00 0.13 0.00 0.00 42.46 41.64 2dkd s ILE 137 CO 0.02 -0.43 0.44 0.00 -1.91 0.00 0.00 174.94 173.05 2dkd s ALA 138 N -1.72 -0.25 0.09 1.50 0.00 -0.85 -1.04 121.76 119.48 2dkd s ALA 138 Ca -0.05 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 2dkd s ALA 138 Cb -0.08 1.01 0.03 0.00 0.00 0.00 0.00 23.12 24.08 2dkd s ALA 138 CO 0.00 -0.80 0.35 -0.98 0.00 0.00 0.00 175.76 174.33 2dkd s ARG 139 N -3.99 0.96 0.00 0.00 1.70 -0.66 -1.23 118.95 115.73 2dkd s ARG 139 Ca 0.20 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 54.81 2dkd s ARG 139 Cb 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 2dkd s ARG 139 CO 0.06 -0.34 0.00 -0.40 -1.08 0.00 0.00 175.30 173.53 2dkd n ASP 140 N 0.08 0.00 -0.88 -2.89 5.68 -0.13 -1.94 116.55 116.47 2dkd n ASP 140 Ca -0.17 -0.75 0.06 0.00 -0.50 0.00 0.00 54.79 53.43 2dkd n ASP 140 Cb 0.62 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.79 2dkd n ASP 140 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2dkd n SER 141 N -2.25 2.53 -4.72 -1.12 3.41 -1.26 -4.81 113.62 105.40 2dkd n SER 141 Ca 0.00 -2.15 -0.35 0.00 -0.26 0.00 0.00 58.87 56.11 2dkd n SER 141 Cb 0.00 -0.36 0.09 0.00 -0.26 0.00 0.00 64.21 63.68 2dkd n SER 141 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2dkd s ARG 142 N -1.61 2.19 0.38 4.33 0.52 -1.26 -4.66 118.95 118.83 2dkd s ARG 142 Ca 0.27 1.92 0.06 0.00 -0.52 0.00 0.00 55.73 57.46 2dkd s ARG 142 Cb 0.16 -1.82 0.78 0.00 0.52 0.00 0.00 34.95 34.59 2dkd s ARG 142 CO 0.15 -1.84 1.99 1.49 0.02 0.00 0.00 175.30 177.11 2dkd h GLU 143 N -0.05 0.68 -0.00 3.54 4.22 -1.92 -2.07 114.58 118.97 2dkd h GLU 143 Ca -0.49 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.91 2dkd h GLU 143 Cb 1.32 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2dkd h GLU 143 CO 0.50 0.45 -0.28 -1.13 -2.18 0.00 0.00 179.01 176.37 2dkd n SER 144 N -4.47 0.32 -0.02 1.04 3.41 -1.26 -4.40 113.62 108.24 2dkd n SER 144 Ca 0.08 -0.01 -0.09 0.00 -0.26 0.00 0.00 58.87 58.60 2dkd n SER 144 Cb 0.18 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 2dkd n SER 144 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dkd h SER 145 N 0.07 -0.24 -0.51 4.04 0.02 -1.69 -1.36 113.55 113.89 2dkd h SER 145 Ca 0.00 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 2dkd h SER 145 Cb 0.49 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 2dkd h SER 145 CO 0.00 -0.09 0.20 -0.65 -1.14 0.00 0.00 176.83 175.14 2dkd h PRO 146 N -0.05 0.38 -0.54 3.45 0.11 -1.77 -0.09 132.00 133.49 2dkd h PRO 146 Ca 0.09 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 2dkd h PRO 146 Cb 0.18 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 2dkd h PRO 146 CO -0.19 0.25 0.06 0.00 -0.21 0.00 0.00 178.00 177.91 2dkd h ALA 147 N 1.32 0.72 -0.14 -0.75 0.00 -1.82 -2.36 119.26 116.23 2dkd h ALA 147 Ca 0.24 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2dkd h ALA 147 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2dkd h ALA 147 CO -0.23 0.49 -0.29 -0.07 0.00 0.00 0.00 179.25 179.14 2dkd h LEU 148 N 0.79 0.27 -0.16 0.00 3.38 -0.89 -1.76 115.31 116.94 2dkd h LEU 148 Ca 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2dkd h LEU 148 Cb 0.45 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2dkd h LEU 148 CO 0.02 0.56 0.07 -1.28 0.09 0.00 0.00 178.44 177.90 2dkd h SER 149 N 0.24 0.21 -0.75 -0.43 0.87 -0.77 -1.38 113.55 111.54 2dkd h SER 149 Ca 0.03 -0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.47 2dkd h SER 149 Cb 0.65 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 2dkd h SER 149 CO 0.05 0.29 0.49 0.24 -0.53 0.00 0.00 176.83 177.37 2dkd h MET 150 N 0.12 0.94 -0.70 2.24 2.86 -1.10 -0.44 114.93 118.84 2dkd h MET 150 Ca 0.05 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2dkd h MET 150 Cb 0.14 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 2dkd h MET 150 CO -0.01 0.62 0.43 0.00 1.06 0.00 0.00 176.91 179.01 2dkd h ALA 151 N 1.30 0.90 -0.73 6.32 0.00 -1.12 -0.57 119.26 125.35 2dkd h ALA 151 Ca 0.29 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2dkd h ALA 151 Cb -0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 2dkd h ALA 151 CO -0.09 0.37 0.27 1.15 0.00 0.00 0.00 179.25 180.95 2dkd h THR 152 N 0.96 1.25 -0.14 0.00 2.02 -0.62 -1.76 112.91 114.62 2dkd h THR 152 Ca 0.25 -0.82 -0.07 0.00 0.77 0.00 0.00 66.41 66.54 2dkd h THR 152 Cb -0.03 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2dkd h THR 152 CO -0.05 0.33 -0.21 0.40 0.37 0.00 0.00 175.52 176.37 2dkd h ILE 153 N 1.07 1.22 -0.00 3.11 2.04 -0.40 0.38 117.51 124.93 2dkd h ILE 153 Ca 0.24 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 2dkd h ILE 153 Cb 0.24 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2dkd h ILE 153 CO -0.02 0.30 -0.29 0.44 0.00 0.00 0.00 178.15 178.59 2dkd h ASP 154 N 0.23 0.00 -0.13 1.72 3.32 -0.28 -1.77 116.42 119.51 2dkd h ASP 154 Ca 0.04 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2dkd h ASP 154 Cb 0.50 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 2dkd h ASP 154 CO 0.03 0.29 -0.04 1.23 -1.72 0.00 0.00 179.24 179.03 2dkd h GLY 155 N 0.87 0.29 0.06 2.75 0.00 -0.36 -2.04 103.07 104.65 2dkd h GLY 155 Ca -0.00 -0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.17 2dkd h GLY 155 CO 0.04 0.22 -0.18 0.74 0.00 0.00 0.00 176.54 177.36 2dkd h PHE 156 N -0.06 -0.46 0.00 5.60 0.05 -0.66 -1.31 116.94 120.10 2dkd h PHE 156 Ca 0.03 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.86 2dkd h PHE 156 Cb 0.48 0.26 0.00 0.00 2.00 0.00 0.00 35.95 38.69 2dkd h PHE 156 CO 0.06 -0.26 0.00 1.04 -0.18 0.00 0.00 178.31 178.96 2dkd n GLN 157 N -5.36 0.04 0.00 1.51 6.02 -0.71 -2.63 117.38 116.24 2dkd n GLN 157 Ca 0.02 0.17 0.15 0.00 -0.01 0.00 0.00 57.00 57.33 2dkd n GLN 157 Cb 0.28 -1.50 0.79 0.00 1.02 0.00 0.00 30.24 30.82 2dkd n GLN 157 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2dkd n SER 158 N -1.47 0.08 -4.30 1.08 7.64 -0.49 -4.64 113.62 111.52 2dkd n SER 158 Ca 0.05 -0.44 -0.35 0.00 1.01 0.00 0.00 58.87 59.14 2dkd n SER 158 Cb 0.21 -0.18 -0.14 0.00 -1.01 0.00 0.00 64.21 63.09 2dkd n SER 158 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2dkd s VAL 159 N -2.40 3.23 0.29 0.44 1.01 -1.08 -3.18 120.40 118.71 2dkd s VAL 159 Ca 0.34 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 2dkd s VAL 159 Cb 0.21 -2.45 -0.14 0.00 0.00 0.00 0.00 36.38 34.00 2dkd s VAL 159 CO 0.44 0.44 1.14 -0.81 0.00 0.00 0.00 175.10 176.31 2dkd n PRO 160 N 4.68 1.63 -3.06 2.72 -0.04 -1.26 -3.68 135.00 135.99 2dkd n PRO 160 Ca -0.18 0.57 -0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2dkd n PRO 160 Cb 0.51 -2.04 0.05 0.00 -0.04 0.00 0.00 33.50 31.98 2dkd n PRO 160 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dkd n ASN 161 N 1.21 -6.46 -4.03 3.54 5.03 -1.26 -4.81 115.26 108.48 2dkd n ASN 161 Ca 0.09 -0.53 -0.25 0.00 0.87 0.00 0.00 54.58 54.76 2dkd n ASN 161 Cb 0.33 -4.83 -0.17 0.00 -1.02 0.00 0.00 39.78 34.10 2dkd n ASN 161 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2dkd s THR 162 N -3.28 1.20 -0.11 3.41 2.01 -1.24 -0.97 115.64 116.65 2dkd s THR 162 Ca 0.33 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.82 2dkd s THR 162 Cb -0.04 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 2dkd s THR 162 CO 0.68 0.37 -0.11 -0.75 -0.69 0.00 0.00 174.62 174.11 2dkd s LYS 163 N 0.68 3.20 0.16 4.92 2.20 0.02 -4.89 119.74 126.03 2dkd s LYS 163 Ca -0.14 -0.65 0.06 0.00 -0.36 0.00 0.00 55.97 54.88 2dkd s LYS 163 Cb -0.16 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 2dkd s LYS 163 CO 0.04 0.34 -0.13 1.52 -0.36 0.00 0.00 175.35 176.75 2dkd s TYR 164 N 0.03 1.49 0.03 4.03 1.13 -1.26 -1.57 117.35 121.24 2dkd s TYR 164 Ca -0.04 -0.61 0.06 0.00 -1.41 0.00 0.00 57.07 55.07 2dkd s TYR 164 Cb -0.14 -0.74 -0.02 0.00 -1.10 0.00 0.00 41.96 39.96 2dkd s TYR 164 CO 0.04 0.21 -0.18 -1.14 -2.51 0.00 0.00 175.55 171.97 2dkd s GLN 165 N -3.31 1.24 -0.23 -3.49 2.00 -0.45 -4.98 119.66 110.44 2dkd s GLN 165 Ca 0.16 -0.84 0.00 0.00 -2.00 0.00 0.00 55.36 52.69 2dkd s GLN 165 Cb -0.01 -1.30 0.06 0.00 0.80 0.00 0.00 33.01 32.55 2dkd s GLN 165 CO 0.04 0.33 -0.05 0.34 -0.50 0.00 0.00 175.29 175.45 2dkd s ASP 166 N -1.06 3.70 0.00 6.67 2.15 -1.26 -1.16 116.67 125.72 2dkd s ASP 166 Ca 0.05 -1.10 0.21 0.00 0.43 0.00 0.00 52.55 52.15 2dkd s ASP 166 Cb -0.08 -1.14 0.71 0.00 -0.30 0.00 0.00 42.92 42.11 2dkd s ASP 166 CO 0.01 -0.23 1.53 0.49 -0.17 0.00 0.00 175.17 176.81 2dkd n PHE 167 N 4.70 0.23 -3.17 -5.34 3.01 -0.21 -4.99 117.46 111.70 2dkd n PHE 167 Ca -0.12 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.22 2dkd n PHE 167 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 2dkd n PHE 167 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dkd n GLY 168 N 1.18 2.63 3.65 1.37 0.00 -1.26 -4.56 105.19 108.20 2dkd n GLY 168 Ca 0.17 -0.31 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 2dkd n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkd n LEU 169 N 0.00 3.54 -3.63 0.99 4.77 -1.26 -1.65 117.00 119.75 2dkd n LEU 169 Ca 0.00 0.81 -0.15 0.00 -0.03 0.00 0.00 56.01 56.64 2dkd n LEU 169 Cb 0.00 -1.43 -0.07 0.00 -2.33 0.00 0.00 43.42 39.59 2dkd n LEU 169 CO 0.00 -0.11 0.23 -0.36 -1.33 0.00 0.00 177.39 175.82 2dkd s PHE 170 N 5.01 -0.41 0.66 -1.77 2.99 -0.82 -4.92 117.98 118.72 2dkd s PHE 170 Ca 0.94 0.62 -0.09 0.00 0.00 0.00 0.00 56.93 58.40 2dkd s PHE 170 Cb -0.59 0.27 0.01 0.00 0.00 0.00 0.00 43.02 42.71 2dkd s PHE 170 CO 0.47 -0.53 1.02 0.95 -0.00 0.00 0.00 175.22 177.12 2dkd s THR 171 N -1.56 3.57 0.23 0.64 -4.23 -1.26 -4.28 115.64 108.75 2dkd s THR 171 Ca -0.11 0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.61 2dkd s THR 171 Cb -0.02 -3.47 0.20 0.00 1.34 0.00 0.00 72.50 70.55 2dkd s THR 171 CO 0.05 -0.57 1.89 0.74 -0.54 0.00 0.00 174.62 176.19 2dkd h THR 172 N -0.46 1.24 -0.50 3.99 2.02 -1.66 -2.38 112.91 115.16 2dkd h THR 172 Ca -0.45 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 2dkd h THR 172 Cb 1.25 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2dkd h THR 172 CO 0.63 0.24 0.18 -0.65 0.37 0.00 0.00 175.52 176.28 2dkd h PRO 173 N 1.20 0.73 -0.75 6.66 0.11 -1.82 -2.16 132.00 135.96 2dkd h PRO 173 Ca 0.32 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 2dkd h PRO 173 Cb -0.08 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 30.86 2dkd h PRO 173 CO -0.06 0.62 0.33 0.93 -0.21 0.00 0.00 178.00 179.61 2dkd h GLU 174 N 0.72 1.10 -0.56 1.05 5.08 -1.81 0.14 114.58 120.30 2dkd h GLU 174 Ca 0.17 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2dkd h GLU 174 Cb 0.18 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2dkd h GLU 174 CO -0.01 0.87 0.07 1.25 -1.00 0.00 0.00 179.01 180.19 2dkd h LEU 175 N 1.08 0.92 -1.04 1.33 7.12 -1.16 -1.64 115.31 121.93 2dkd h LEU 175 Ca 0.26 -0.27 -0.06 0.00 0.13 0.00 0.00 57.88 57.93 2dkd h LEU 175 Cb 0.17 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.03 2dkd h LEU 175 CO -0.03 0.96 0.03 0.45 -0.13 0.00 0.00 178.44 179.73 2dkd h HIS 176 N 0.84 0.75 0.34 1.25 3.86 -0.98 -2.12 115.15 119.09 2dkd h HIS 176 Ca 0.17 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2dkd h HIS 176 Cb 0.45 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2dkd h HIS 176 CO 0.03 0.69 -0.16 -0.92 0.86 0.00 0.00 177.93 178.43 2dkd h TYR 177 N 0.68 -0.42 -0.10 2.45 3.20 -0.47 -1.72 116.97 120.59 2dkd h TYR 177 Ca 0.14 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 2dkd h TYR 177 Cb 0.38 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 2dkd h TYR 177 CO 0.02 -0.18 -0.24 -0.39 -1.64 0.00 0.00 178.16 175.73 2dkd h VAL 178 N -0.58 1.22 -0.25 1.81 -1.51 -1.28 0.18 116.25 115.83 2dkd h VAL 178 Ca -0.05 -1.03 -0.02 0.00 -1.23 0.00 0.00 66.70 64.38 2dkd h VAL 178 Cb 0.43 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 2dkd h VAL 178 CO 0.08 0.31 0.09 0.74 -1.23 0.00 0.00 177.57 177.55 2dkd h THR 179 N 0.16 1.19 -0.18 7.19 2.02 -1.28 -0.56 112.91 121.45 2dkd h THR 179 Ca 0.03 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 2dkd h THR 179 Cb 0.52 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2dkd h THR 179 CO 0.04 0.19 -0.02 -0.09 0.37 0.00 0.00 175.52 176.01 2dkd h ARG 180 N 0.24 0.33 0.00 6.66 2.43 -0.91 -3.18 114.38 119.95 2dkd h ARG 180 Ca 0.08 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2dkd h ARG 180 Cb 0.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2dkd h ARG 180 CO -0.00 0.56 -0.21 1.79 -1.51 0.00 0.00 179.97 180.60 2dkd h THR 181 N 0.06 0.53 0.00 0.20 1.35 -0.94 0.42 112.91 114.54 2dkd h THR 181 Ca 0.05 -1.08 -0.00 0.00 -0.55 0.00 0.00 66.41 64.83 2dkd h THR 181 Cb 0.43 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2dkd h THR 181 CO 0.01 0.21 -0.02 -0.07 -0.25 0.00 0.00 175.52 175.41 2dkd h LEU 182 N 0.00 0.00 0.00 3.87 3.38 -1.08 -2.98 115.31 118.50 2dkd h LEU 182 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2dkd h LEU 182 Cb 0.73 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 2dkd h LEU 182 CO 0.03 0.02 -2.09 0.59 0.09 0.00 0.00 178.44 177.07 2dkd n ASN 183 N -3.12 0.92 -3.57 -0.43 3.02 -0.87 -4.84 115.26 106.37 2dkd n ASN 183 Ca 0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 2dkd n ASN 183 Cb 0.32 1.03 -0.12 0.00 -0.61 0.00 0.00 39.78 40.40 2dkd n ASN 183 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dkd s ASP 184 N -4.90 2.91 0.62 6.41 2.15 0.14 -4.99 116.67 119.02 2dkd s ASP 184 Ca -0.08 -2.83 0.40 0.00 0.43 0.00 0.00 52.55 50.47 2dkd s ASP 184 Cb 0.06 -0.77 2.18 0.00 -0.30 0.00 0.00 42.92 44.09 2dkd s ASP 184 CO 0.69 -0.22 2.23 1.55 -0.17 0.00 0.00 175.17 179.25 2dkd h PRO 185 N 6.26 0.00 0.00 4.34 0.13 -1.77 -1.74 132.00 139.22 2dkd h PRO 185 Ca 0.12 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2dkd h PRO 185 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2dkd h PRO 185 CO 0.43 0.00 -0.09 -0.44 -0.23 0.00 0.00 178.00 177.66 2dkd h ASP 186 N 0.00 0.00 1.51 1.44 3.32 -1.94 -1.27 116.42 119.48 2dkd h ASP 186 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dkd h ASP 186 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2dkd h ASP 186 CO 0.00 0.09 0.00 0.15 -1.72 0.00 0.00 179.24 177.76 2dkd h PHE 187 N 0.00 0.00 0.00 4.55 3.57 -1.68 -3.49 116.94 119.89 2dkd h PHE 187 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2dkd h PHE 187 Cb 0.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2dkd h PHE 187 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 2dkd n GLY 188 N 1.13 3.04 3.71 2.40 0.00 -0.48 -5.01 105.19 109.99 2dkd n GLY 188 Ca 0.05 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 2dkd n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkd s LYS 189 N -2.07 4.45 0.00 1.61 1.02 -1.26 -4.56 119.74 118.93 2dkd s LYS 189 Ca 0.00 1.75 -0.02 0.00 0.02 0.00 0.00 55.97 57.71 2dkd s LYS 189 Cb 0.00 -3.35 -0.11 0.00 -0.52 0.00 0.00 37.83 33.85 2dkd s LYS 189 CO 0.00 -0.23 1.94 -0.35 -0.92 0.00 0.00 175.35 175.79 2dkd n PRO 190 N 3.86 0.97 -4.35 -1.68 -0.04 -1.26 -4.28 135.00 128.22 2dkd n PRO 190 Ca 0.08 -0.41 -0.18 0.00 -0.04 0.00 0.00 63.50 62.96 2dkd n PRO 190 Cb 0.47 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 2dkd n PRO 190 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dkd s THR 191 N 1.63 0.79 0.19 0.52 -4.23 -1.26 -4.95 115.64 108.33 2dkd s THR 191 Ca 0.27 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.72 2dkd s THR 191 Cb 0.13 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.39 2dkd s THR 191 CO 0.00 -0.08 1.59 -0.08 -0.54 0.00 0.00 174.62 175.50 2dkd h GLU 192 N 2.35 0.82 -0.66 3.99 4.81 -1.98 -2.09 114.58 121.82 2dkd h GLU 192 Ca -0.39 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 58.44 2dkd h GLU 192 Cb 1.24 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 2dkd h GLU 192 CO 0.64 0.99 0.24 0.22 -0.73 0.00 0.00 179.01 180.37 2dkd h ASP 193 N 0.71 0.91 -0.67 1.04 -0.00 -1.96 -1.36 116.42 115.08 2dkd h ASP 193 Ca 0.09 -0.14 0.02 0.00 -0.00 0.00 0.00 57.03 57.00 2dkd h ASP 193 Cb 0.80 -0.24 -0.04 0.00 -0.00 0.00 0.00 39.33 39.85 2dkd h ASP 193 CO 0.07 0.83 0.43 1.23 -0.00 0.00 0.00 179.24 181.80 2dkd h GLY 194 N 1.05 0.96 0.92 -0.78 0.00 -1.62 0.24 103.07 103.85 2dkd h GLY 194 Ca 0.22 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 2dkd h GLY 194 CO -0.01 0.29 -0.01 -1.82 0.00 0.00 0.00 176.54 174.99 2dkd h TYR 195 N 0.85 -0.02 -0.13 5.60 3.20 -0.76 -1.64 116.97 124.08 2dkd h TYR 195 Ca 0.26 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 2dkd h TYR 195 Cb -0.02 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2dkd h TYR 195 CO -0.04 0.06 0.06 1.88 -1.64 0.00 0.00 178.16 178.48 2dkd h TYR 196 N -0.10 0.20 -0.57 -3.82 0.99 -1.01 -2.99 116.97 109.68 2dkd h TYR 196 Ca -0.00 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 2dkd h TYR 196 Cb 0.09 -0.06 -0.03 0.00 1.00 0.00 0.00 36.73 37.73 2dkd h TYR 196 CO -0.05 0.27 0.27 1.03 -0.00 0.00 0.00 178.16 179.68 2dkd h SER 197 N 0.07 0.72 -0.59 3.88 0.87 -0.50 -0.57 113.55 117.42 2dkd h SER 197 Ca 0.04 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.43 2dkd h SER 197 Cb 0.15 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2dkd h SER 197 CO -0.00 0.61 -0.03 0.50 -0.53 0.00 0.00 176.83 177.38 2dkd h LYS 198 N 0.80 1.07 -0.11 2.24 3.64 -1.25 0.34 116.57 123.29 2dkd h LYS 198 Ca 0.20 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 2dkd h LYS 198 Cb 0.08 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2dkd h LYS 198 CO -0.03 1.06 -0.01 -0.07 -2.27 0.00 0.00 179.45 178.13 2dkd h LEU 199 N 0.97 0.21 -0.45 5.20 3.38 -1.30 -2.91 115.31 120.40 2dkd h LEU 199 Ca 0.16 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2dkd h LEU 199 Cb 0.60 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2dkd h LEU 199 CO 0.04 0.50 0.09 0.00 0.09 0.00 0.00 178.44 179.16 2dkd h ALA 200 N 0.72 0.60 0.06 1.53 0.00 -1.03 -1.31 119.26 119.82 2dkd h ALA 200 Ca 0.03 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2dkd h ALA 200 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dkd h ALA 200 CO 0.01 0.30 -0.08 -0.22 0.00 0.00 0.00 179.25 179.26 2dkd h LYS 201 N 0.61 -0.16 -0.64 0.00 3.64 -0.98 0.78 116.57 119.82 2dkd h LYS 201 Ca 0.14 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2dkd h LYS 201 Cb 0.35 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 2dkd h LYS 201 CO 0.01 -0.11 0.16 0.66 -2.27 0.00 0.00 179.45 177.90 2dkd h SER 202 N -0.17 0.96 -0.33 4.20 4.64 -1.49 -0.93 113.55 120.43 2dkd h SER 202 Ca 0.01 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2dkd h SER 202 Cb 0.17 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 2dkd h SER 202 CO -0.04 0.94 0.21 0.15 -0.87 0.00 0.00 176.83 177.22 2dkd h PHE 203 N 0.94 0.43 -0.12 4.77 3.57 -1.01 -2.65 116.94 122.87 2dkd h PHE 203 Ca 0.20 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 2dkd h PHE 203 Cb 0.35 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2dkd h PHE 203 CO 0.03 0.29 -0.32 1.96 -2.23 0.00 0.00 178.31 178.04 2dkd h GLN 204 N 0.44 0.22 -0.46 1.11 4.20 -0.59 -0.49 115.11 119.54 2dkd h GLN 204 Ca 0.12 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 2dkd h GLN 204 Cb -0.03 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2dkd h GLN 204 CO -0.02 0.52 -0.10 0.93 -0.67 0.00 0.00 178.83 179.49 2dkd h GLU 205 N 0.20 0.83 -0.14 1.46 5.08 -0.91 -1.41 114.58 119.69 2dkd h GLU 205 Ca 0.03 -0.28 -0.22 0.00 -1.00 0.00 0.00 59.36 57.89 2dkd h GLU 205 Cb 0.66 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.85 2dkd h GLU 205 CO 0.05 0.89 -0.79 0.82 -1.00 0.00 0.00 179.01 178.98 2dkd h ILE 206 N 0.75 1.29 -1.01 3.13 2.04 -1.19 -3.10 117.51 119.42 2dkd h ILE 206 Ca 0.13 -2.01 0.03 0.00 1.00 0.00 0.00 64.86 64.00 2dkd h ILE 206 Cb 0.59 2.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.64 2dkd h ILE 206 CO 0.04 0.63 0.66 0.22 0.00 0.00 0.00 178.15 179.71 2dkd h TYR 207 N 0.50 1.25 -0.49 1.37 3.20 -0.87 -1.72 116.97 120.21 2dkd h TYR 207 Ca -0.06 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 2dkd h TYR 207 Cb 1.42 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 2dkd h TYR 207 CO 0.08 0.75 0.02 1.79 -1.64 0.00 0.00 178.16 179.16 2dkd h THR 208 N 1.31 1.24 0.00 1.81 1.35 -1.25 -2.42 112.91 114.96 2dkd h THR 208 Ca 0.39 -0.98 -0.04 0.00 -0.55 0.00 0.00 66.41 65.22 2dkd h THR 208 Cb -0.06 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 2dkd h THR 208 CO -0.11 0.35 -0.20 0.40 -0.25 0.00 0.00 175.52 175.71 2dkd h ILE 209 N 0.76 0.61 -4.46 6.82 2.04 -1.26 -3.44 117.51 118.57 2dkd h ILE 209 Ca 0.15 -0.93 -0.47 0.00 1.00 0.00 0.00 64.86 64.61 2dkd h ILE 209 Cb 0.43 1.61 0.09 0.00 -0.74 0.00 0.00 36.82 38.22 2dkd h ILE 209 CO 0.02 0.20 0.38 0.00 0.00 0.00 0.00 178.15 178.75 2dkd s GLU 211 N -5.51 3.12 -0.46 0.00 2.02 -1.26 -4.99 118.70 111.62 2dkd s GLU 211 Ca 0.61 -0.91 -0.16 0.00 0.02 0.00 0.00 54.97 54.54 2dkd s GLU 211 Cb -0.11 -4.10 0.07 0.00 0.10 0.00 0.00 34.13 30.08 2dkd s GLU 211 CO 0.48 -1.23 0.39 -1.12 0.02 0.00 0.00 175.26 173.80 2dkd s SER 212 N 2.72 6.15 0.00 -0.19 0.01 -1.26 -4.95 113.70 116.17 2dkd s SER 212 Ca 0.15 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.15 2dkd s SER 212 Cb -0.19 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2dkd s SER 212 CO 0.12 -0.63 1.25 -0.46 0.41 0.00 0.00 173.24 173.93 2dkd n ASN 213 N 5.22 3.34 -1.57 2.44 6.94 -1.26 -4.58 115.26 125.79 2dkd n ASN 213 Ca -0.12 -1.88 -0.18 0.00 -0.02 0.00 0.00 54.58 52.38 2dkd n ASN 213 Cb 0.44 -0.70 -0.08 0.00 -2.36 0.00 0.00 39.78 37.08 2dkd n ASN 213 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2dkd n ASN 214 N 1.66 -4.86 -4.22 0.53 0.23 -1.26 -4.93 115.26 102.40 2dkd n ASN 214 Ca 0.00 0.44 -0.34 0.00 -0.53 0.00 0.00 54.58 54.14 2dkd n ASN 214 Cb 0.32 -4.34 -0.15 0.00 -2.08 0.00 0.00 39.78 33.53 2dkd n ASN 214 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 2dkd s GLU 215 N -3.62 3.06 0.68 -3.83 -1.05 -1.26 -5.11 118.70 107.57 2dkd s GLU 215 Ca 0.00 -0.82 -0.16 0.00 -0.15 0.00 0.00 54.97 53.84 2dkd s GLU 215 Cb 0.00 -2.92 0.01 0.00 -0.44 0.00 0.00 34.13 30.79 2dkd s GLU 215 CO 0.00 -0.29 1.17 0.15 0.95 0.00 0.00 175.26 177.24 2dkd s LYS 216 N 1.37 2.50 -0.10 -4.83 1.02 -1.26 -4.98 119.74 113.47 2dkd s LYS 216 Ca 0.03 1.63 -0.29 0.00 0.02 0.00 0.00 55.97 57.36 2dkd s LYS 216 Cb -0.15 -1.89 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 2dkd s LYS 216 CO -0.06 -1.53 0.99 0.42 -0.92 0.00 0.00 175.35 174.25 2dkd s ILE 217 N -2.07 4.80 -0.12 2.17 1.01 0.08 -4.81 121.20 122.27 2dkd s ILE 217 Ca 0.72 2.01 -0.06 0.00 0.00 0.00 0.00 60.65 63.32 2dkd s ILE 217 Cb -0.26 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2dkd s ILE 217 CO 0.42 0.02 0.11 -0.62 0.00 0.00 0.00 174.94 174.88 2dkd s ASP 218 N 1.09 6.16 -0.12 3.58 2.15 -1.26 -1.06 116.67 127.21 2dkd s ASP 218 Ca 0.48 0.40 -0.19 0.00 0.43 0.00 0.00 52.55 53.67 2dkd s ASP 218 Cb -0.18 -1.96 0.05 0.00 -0.30 0.00 0.00 42.92 40.53 2dkd s ASP 218 CO 0.19 0.40 0.48 -0.51 -0.17 0.00 0.00 175.17 175.55 2dkd s ILE 219 N -0.96 0.01 -0.10 4.11 1.10 -0.78 -4.85 121.20 119.74 2dkd s ILE 219 Ca 0.14 -0.12 0.04 0.00 -0.51 0.00 0.00 60.65 60.20 2dkd s ILE 219 Cb -0.12 -0.72 0.00 0.00 0.15 0.00 0.00 42.46 41.78 2dkd s ILE 219 CO 0.04 -0.07 -0.22 -0.89 -2.11 0.00 0.00 174.94 171.68 2dkd s THR 220 N -0.39 1.96 -0.14 4.00 2.01 -1.24 -2.31 115.64 119.53 2dkd s THR 220 Ca -0.05 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 2dkd s THR 220 Cb -0.03 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 2dkd s THR 220 CO 0.03 0.54 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.75 2dkd s ILE 221 N 0.44 3.15 -0.53 1.82 1.09 -0.39 -1.96 121.20 124.82 2dkd s ILE 221 Ca -0.17 -0.62 -0.19 0.00 -1.10 0.00 0.00 60.65 58.57 2dkd s ILE 221 Cb -0.17 -2.33 0.07 0.00 -1.06 0.00 0.00 42.46 38.96 2dkd s ILE 221 CO 0.07 0.52 0.64 -0.62 -0.10 0.00 0.00 174.94 175.45 2dkd s ASP 222 N 0.41 6.21 -0.03 3.58 3.68 0.13 -0.83 116.67 129.81 2dkd s ASP 222 Ca -0.09 -1.09 0.07 0.00 2.13 0.00 0.00 52.55 53.56 2dkd s ASP 222 Cb -0.16 -2.29 0.26 0.00 -1.45 0.00 0.00 42.92 39.28 2dkd s ASP 222 CO 0.05 -0.95 1.11 0.00 0.13 0.00 0.00 175.17 175.50 2dkd n ALA 223 N 6.18 2.65 -1.33 3.66 0.00 -0.85 -1.13 120.51 129.69 2dkd n ALA 223 Ca -0.08 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 2dkd n ALA 223 Cb 0.44 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 2dkd n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkd n ALA 224 N 0.26 -0.19 -2.81 0.00 0.00 -1.19 -0.88 120.51 115.69 2dkd n ALA 224 Ca 0.09 0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.53 2dkd n ALA 224 Cb 0.35 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.35 2dkd n ALA 224 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dkd n ASN 225 N -0.56 -5.63 -4.56 0.00 3.02 0.14 -1.91 115.26 105.76 2dkd n ASN 225 Ca -0.13 -0.17 -0.25 0.00 -0.03 0.00 0.00 54.58 54.00 2dkd n ASN 225 Cb 0.47 -4.62 -0.01 0.00 -0.61 0.00 0.00 39.78 35.01 2dkd n ASN 225 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dkd n GLY 226 N -1.27 2.97 0.34 7.41 0.00 -0.06 -3.88 105.19 110.70 2dkd n GLY 226 Ca -0.15 -2.31 0.20 0.00 0.00 0.00 0.00 46.02 43.76 2dkd n GLY 226 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2dkd h VAL 227 N 0.79 0.07 0.00 1.61 3.04 -1.82 -1.23 116.25 118.71 2dkd h VAL 227 Ca -0.33 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.33 2dkd h VAL 227 Cb 1.17 0.87 -0.00 0.00 -2.01 0.00 0.00 31.29 31.32 2dkd h VAL 227 CO 0.53 0.00 -0.12 1.23 -1.01 0.00 0.00 177.57 178.21 2dkd h GLY 228 N 0.00 0.00 0.95 3.17 0.00 -1.82 -3.23 103.07 102.14 2dkd h GLY 228 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2dkd h GLY 228 CO -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 176.54 176.17 2dkd h ALA 229 N 1.88 -1.01 0.00 3.60 0.00 -1.43 -1.53 119.26 120.78 2dkd h ALA 229 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2dkd h ALA 229 Cb 0.33 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2dkd h ALA 229 CO 0.02 -1.07 -0.16 -1.00 0.00 0.00 0.00 179.25 177.03 2dkd h PRO 230 N -1.00 0.00 -0.06 0.00 0.13 -1.77 -2.58 132.00 126.74 2dkd h PRO 230 Ca -0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 2dkd h PRO 230 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2dkd h PRO 230 CO 0.14 0.16 -0.32 0.87 -0.23 0.00 0.00 178.00 178.62 2dkd h LYS 231 N 0.00 0.31 -0.28 0.86 1.79 -1.56 -2.19 116.57 115.51 2dkd h LYS 231 Ca -0.00 -0.26 -0.08 0.00 -2.18 0.00 0.00 60.65 58.12 2dkd h LYS 231 Cb 0.40 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2dkd h LYS 231 CO 0.02 0.92 -0.19 0.97 -1.08 0.00 0.00 179.45 180.09 2dkd h ILE 232 N -0.20 1.25 -0.05 1.86 6.09 -1.26 -0.93 117.51 124.26 2dkd h ILE 232 Ca -0.02 -1.14 0.01 0.00 -1.37 0.00 0.00 64.86 62.33 2dkd h ILE 232 Cb 0.98 1.24 -0.01 0.00 0.47 0.00 0.00 36.82 39.51 2dkd h ILE 232 CO 0.07 0.37 0.01 -0.61 -3.07 0.00 0.00 178.15 174.91 2dkd h GLN 233 N 0.45 0.03 -0.02 2.19 5.75 -1.46 -0.88 115.11 121.16 2dkd h GLN 233 Ca 0.08 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2dkd h GLN 233 Cb 0.58 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 2dkd h GLN 233 CO 0.04 0.02 0.01 1.49 -2.65 0.00 0.00 178.83 177.74 2dkd h GLU 234 N 0.03 0.03 0.20 1.69 4.57 -1.14 -1.49 114.58 118.48 2dkd h GLU 234 Ca 0.02 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2dkd h GLU 234 Cb 0.02 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 2dkd h GLU 234 CO -0.03 0.21 -0.25 1.25 -1.18 0.00 0.00 179.01 179.01 2dkd h LEU 235 N -0.15 -0.70 -0.20 1.64 5.85 -1.06 -0.49 115.31 120.21 2dkd h LEU 235 Ca 0.01 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2dkd h LEU 235 Cb 0.19 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2dkd h LEU 235 CO -0.00 -0.36 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.59 2dkd h LEU 236 N -0.51 0.41 -0.22 2.25 3.38 -1.21 -0.87 115.31 118.54 2dkd h LEU 236 Ca 0.01 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 2dkd h LEU 236 Cb 0.49 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2dkd h LEU 236 CO -0.09 0.72 -0.11 -0.08 0.09 0.00 0.00 178.44 178.97 2dkd h GLU 237 N 0.10 0.46 0.11 1.13 4.57 -1.28 -1.99 114.58 117.69 2dkd h GLU 237 Ca 0.05 -0.20 -0.29 0.00 -1.18 0.00 0.00 59.36 57.73 2dkd h GLU 237 Cb 0.55 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2dkd h GLU 237 CO 0.03 0.74 -1.42 0.87 -1.18 0.00 0.00 179.01 178.05 2dkd h LYS 238 N 0.16 0.24 0.00 1.92 1.79 -1.18 -3.36 116.57 116.15 2dkd h LYS 238 Ca 0.05 -0.41 -0.31 0.00 -2.18 0.00 0.00 60.65 57.80 2dkd h LYS 238 Cb 0.61 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.35 2dkd h LYS 238 CO 0.03 1.13 -2.16 0.66 -1.08 0.00 0.00 179.45 178.03 2dkd n TYR 239 N -3.46 0.00 -1.62 -1.35 4.02 -0.34 -4.71 117.16 109.70 2dkd n TYR 239 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 2dkd n TYR 239 Cb 1.03 -0.81 0.19 0.00 -0.02 0.00 0.00 39.34 39.73 2dkd n TYR 239 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2dkd n LEU 240 N -2.81 3.29 -0.22 7.72 4.77 -0.87 -4.78 117.00 124.10 2dkd n LEU 240 Ca -0.31 -3.98 0.09 0.00 -0.03 0.00 0.00 56.01 51.77 2dkd n LEU 240 Cb 0.98 -0.54 0.36 0.00 -2.33 0.00 0.00 43.42 41.90 2dkd n LEU 240 CO 0.30 1.46 1.22 -0.74 -1.33 0.00 0.00 177.39 178.29 2dkd h HIS 241 N 1.14 0.79 -0.00 -1.77 2.76 -1.53 0.38 115.15 116.92 2dkd h HIS 241 Ca 0.09 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.12 2dkd h HIS 241 Cb 1.19 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 2dkd h HIS 241 CO 0.84 0.37 -0.75 0.87 -1.30 0.00 0.00 177.93 177.96 2dkd h LYS 242 N 0.74 0.03 0.00 5.26 1.57 -1.89 -3.35 116.57 118.93 2dkd h LYS 242 Ca 0.37 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.91 2dkd h LYS 242 Cb 0.45 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2dkd h LYS 242 CO -0.14 0.76 -2.01 0.39 -0.57 0.00 0.00 179.45 177.88 2dkd n GLU 243 N -3.67 0.66 -4.63 3.15 4.71 -0.91 -4.80 120.64 115.15 2dkd n GLU 243 Ca -0.01 0.01 -0.23 0.00 -0.01 0.00 0.00 57.16 56.91 2dkd n GLU 243 Cb 0.72 -1.60 -0.15 0.00 -1.01 0.00 0.00 31.44 29.41 2dkd n GLU 243 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2dkd s ILE 244 N -2.89 1.30 0.00 -3.67 1.01 0.08 -0.74 121.20 116.29 2dkd s ILE 244 Ca -0.07 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.79 2dkd s ILE 244 Cb 0.09 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 2dkd s ILE 244 CO 0.85 0.24 -0.21 -0.94 0.00 0.00 0.00 174.94 174.88 2dkd s SER 245 N -0.71 3.54 0.28 3.58 1.04 -0.22 -4.56 113.70 116.65 2dkd s SER 245 Ca 0.05 -0.41 -0.21 0.00 0.48 0.00 0.00 55.95 55.87 2dkd s SER 245 Cb -0.07 -0.54 0.02 0.00 0.10 0.00 0.00 66.02 65.53 2dkd s SER 245 CO 0.00 0.30 0.73 0.72 0.98 0.00 0.00 173.24 175.97 2dkd s PHE 246 N -0.77 -0.17 -0.00 5.02 -0.12 -1.26 -1.86 117.98 118.82 2dkd s PHE 246 Ca 0.12 -0.29 -0.07 0.00 -0.05 0.00 0.00 56.93 56.64 2dkd s PHE 246 Cb -0.10 0.71 0.00 0.00 -0.63 0.00 0.00 43.02 43.00 2dkd s PHE 246 CO 0.02 -1.24 0.14 0.95 -0.05 0.00 0.00 175.22 175.04 2dkd s THR 247 N -3.81 0.08 -0.10 -4.49 -4.23 -0.98 -4.99 115.64 97.12 2dkd s THR 247 Ca 0.11 -0.65 0.04 0.00 -1.18 0.00 0.00 61.69 60.01 2dkd s THR 247 Cb -0.06 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.37 2dkd s THR 247 CO 0.07 -0.36 -0.23 -0.69 -0.54 0.00 0.00 174.62 172.87 2dkd s VAL 248 N -1.30 2.03 0.21 2.29 1.01 -1.26 -1.26 120.40 122.13 2dkd s VAL 248 Ca -0.14 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 60.94 2dkd s VAL 248 Cb -0.07 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2dkd s VAL 248 CO 0.01 0.55 -0.13 0.68 0.00 0.00 0.00 175.10 176.21 2dkd s VAL 249 N 0.40 2.90 -1.12 2.92 -7.23 -0.01 -4.68 120.40 113.57 2dkd s VAL 249 Ca -0.18 -1.92 -0.09 0.00 -1.81 0.00 0.00 61.98 57.98 2dkd s VAL 249 Cb -0.18 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2dkd s VAL 249 CO 0.08 -0.20 0.86 0.59 -0.31 0.00 0.00 175.10 176.11 2dkd n ASN 250 N -0.17 -5.20 -0.52 4.85 3.02 -1.26 -2.01 115.26 113.97 2dkd n ASN 250 Ca -0.09 -0.81 0.07 0.00 -0.03 0.00 0.00 54.58 53.71 2dkd n ASN 250 Cb 0.57 -4.52 0.16 0.00 -0.61 0.00 0.00 39.78 35.39 2dkd n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dkd n GLY 251 N -1.40 3.66 2.50 7.41 0.00 -1.26 0.24 105.19 116.35 2dkd n GLY 251 Ca -0.12 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 2dkd n GLY 251 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dkd n ASP 252 N -0.39 6.76 0.28 1.61 8.00 -1.26 -4.69 116.55 126.85 2dkd n ASP 252 Ca 0.14 -2.73 0.16 0.00 0.71 0.00 0.00 54.79 53.07 2dkd n ASP 252 Cb 0.60 -1.58 0.78 0.00 -0.02 0.00 0.00 41.12 40.91 2dkd n ASP 252 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2dkd h TYR 253 N 5.38 0.00 0.00 1.24 -0.00 -1.83 -2.11 116.97 119.65 2dkd h TYR 253 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.46 2dkd h TYR 253 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.16 2dkd h TYR 253 CO 1.68 0.06 0.00 1.63 -0.00 0.00 0.00 178.16 181.54 2dkd n LYS 254 N -3.29 0.22 -3.69 0.10 5.02 -1.26 -3.74 118.16 111.53 2dkd n LYS 254 Ca -0.01 0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 2dkd n LYS 254 Cb 0.25 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.67 2dkd n LYS 254 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dkd n GLN 255 N -1.33 2.31 0.07 1.97 6.02 -0.79 -4.96 117.38 120.67 2dkd n GLN 255 Ca 0.08 -4.54 0.21 0.00 -0.01 0.00 0.00 57.00 52.75 2dkd n GLN 255 Cb 0.17 -2.32 0.70 0.00 1.02 0.00 0.00 30.24 29.80 2dkd n GLN 255 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2dkd h PRO 256 N 5.26 0.00 0.00 -1.09 0.13 -1.79 -0.06 132.00 134.45 2dkd h PRO 256 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 2dkd h PRO 256 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 2dkd h PRO 256 CO 0.81 0.00 -0.04 -0.91 -0.23 0.00 0.00 178.00 177.63 2dkd h ASN 257 N 0.00 0.00 0.42 1.44 -0.26 -1.93 -1.77 115.58 113.47 2dkd h ASN 257 Ca 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 2dkd h ASN 257 Cb 1.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.61 2dkd h ASN 257 CO -0.00 0.04 -0.15 0.18 -1.06 0.00 0.00 177.43 176.44 2dkd n LEU 258 N -3.22 0.49 -4.68 1.61 4.77 -0.04 -4.80 117.00 111.13 2dkd n LEU 258 Ca -0.01 0.02 -0.48 0.00 -0.03 0.00 0.00 56.01 55.52 2dkd n LEU 258 Cb 0.24 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2dkd n LEU 258 CO 0.26 0.09 1.36 -0.11 -1.33 0.00 0.00 177.39 177.67 2dkd n LEU 259 N -1.02 3.26 -1.79 2.23 7.94 -0.67 -1.58 117.00 125.37 2dkd n LEU 259 Ca 0.13 1.02 -0.20 0.00 -1.11 0.00 0.00 56.01 55.85 2dkd n LEU 259 Cb 0.30 -1.39 -0.07 0.00 0.53 0.00 0.00 43.42 42.79 2dkd n LEU 259 CO 0.25 -0.17 -0.21 0.59 -1.11 0.00 0.00 177.39 176.75 2dkd n ASN 260 N 5.30 -5.36 -4.58 1.96 3.02 -0.80 -4.75 115.26 110.05 2dkd n ASN 260 Ca 0.20 0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 54.70 2dkd n ASN 260 Cb 0.29 -4.68 -0.03 0.00 -0.61 0.00 0.00 39.78 34.76 2dkd n ASN 260 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2dkd s PHE 261 N -2.77 2.48 -1.34 3.10 5.99 -0.62 -3.76 117.98 121.07 2dkd s PHE 261 Ca 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 56.93 57.22 2dkd s PHE 261 Cb 0.00 -4.50 0.05 0.00 0.00 0.00 0.00 43.02 38.57 2dkd s PHE 261 CO 0.00 -1.75 0.51 -0.25 -0.00 0.00 0.00 175.22 173.72 2dkd n ASP 262 N 8.86 -4.28 -3.62 6.13 10.43 -1.26 -4.75 116.55 128.06 2dkd n ASP 262 Ca 0.09 -0.35 -0.06 0.00 2.57 0.00 0.00 54.79 57.04 2dkd n ASP 262 Cb 0.49 -3.51 -0.01 0.00 1.84 0.00 0.00 41.12 39.93 2dkd n ASP 262 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2dkd n GLY 264 N -0.50 2.21 0.19 0.00 0.00 -1.26 -4.36 105.19 101.47 2dkd n GLY 264 Ca -0.05 -1.93 -0.05 0.00 0.00 0.00 0.00 46.02 43.98 2dkd n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dkd h ALA 265 N 0.00 0.56 -0.39 4.61 0.00 -1.31 -2.69 119.26 120.03 2dkd h ALA 265 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2dkd h ALA 265 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2dkd h ALA 265 CO 0.00 -0.14 0.23 -0.44 0.00 0.00 0.00 179.25 178.90 2dkd h ASP 266 N 0.43 0.38 -0.15 0.00 3.32 -1.86 -1.39 116.42 117.14 2dkd h ASP 266 Ca 0.20 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.28 2dkd h ASP 266 Cb 0.12 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2dkd h ASP 266 CO -0.15 0.27 -0.02 0.22 -1.72 0.00 0.00 179.24 177.85 2dkd h TYR 267 N 0.47 -0.05 -0.40 4.55 3.20 -1.70 -0.39 116.97 122.67 2dkd h TYR 267 Ca 0.15 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 2dkd h TYR 267 Cb 0.00 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2dkd h TYR 267 CO -0.07 -0.05 -0.28 -0.39 -1.64 0.00 0.00 178.16 175.73 2dkd h VAL 268 N 0.02 1.27 -0.38 1.81 -1.51 -1.38 0.13 116.25 116.22 2dkd h VAL 268 Ca 0.07 -1.43 -0.10 0.00 -1.23 0.00 0.00 66.70 64.02 2dkd h VAL 268 Cb 0.10 1.27 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 2dkd h VAL 268 CO -0.14 0.48 -0.17 0.50 -1.23 0.00 0.00 177.57 177.01 2dkd h LYS 269 N 0.72 0.70 0.17 5.19 1.63 -1.09 0.28 116.57 124.15 2dkd h LYS 269 Ca 0.08 -0.25 -0.23 0.00 -0.85 0.00 0.00 60.65 59.40 2dkd h LYS 269 Cb 0.83 -0.05 0.02 0.00 -0.60 0.00 0.00 32.23 32.43 2dkd h LYS 269 CO 0.07 0.83 -1.05 1.15 -3.45 0.00 0.00 179.45 176.99 2dkd h THR 270 N 0.62 1.39 0.00 1.00 2.02 -0.93 -3.38 112.91 113.65 2dkd h THR 270 Ca 0.10 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.72 2dkd h THR 270 Cb 0.63 3.11 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 2dkd h THR 270 CO 0.04 0.74 -1.09 0.59 0.37 0.00 0.00 175.52 176.17 2dkd n ASN 271 N -4.00 0.75 -3.88 4.18 4.13 0.44 -5.01 115.26 111.87 2dkd n ASN 271 Ca -0.16 -0.67 -0.39 0.00 1.68 0.00 0.00 54.58 55.04 2dkd n ASN 271 Cb 0.90 1.03 0.03 0.00 -1.54 0.00 0.00 39.78 40.21 2dkd n ASN 271 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dkd n GLN 272 N -1.67 -0.74 -3.71 3.52 6.02 0.97 -4.98 117.38 116.78 2dkd n GLN 272 Ca 0.03 0.27 -0.13 0.00 -0.01 0.00 0.00 57.00 57.16 2dkd n GLN 272 Cb 0.38 -3.34 -0.07 0.00 1.02 0.00 0.00 30.24 28.23 2dkd n GLN 272 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2dkd s LYS 273 N -6.70 0.84 0.11 -1.09 -2.85 -1.26 -4.80 119.74 103.99 2dkd s LYS 273 Ca 0.49 -0.35 -0.31 0.00 -1.00 0.00 0.00 55.97 54.79 2dkd s LYS 273 Cb -0.22 0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 35.82 2dkd s LYS 273 CO 0.92 -0.27 1.87 1.28 0.10 0.00 0.00 175.35 179.24 2dkd n LEU 274 N 0.70 4.11 -4.58 2.77 4.77 -1.26 -4.70 117.00 118.80 2dkd n LEU 274 Ca -0.19 0.97 -0.29 0.00 -0.03 0.00 0.00 56.01 56.47 2dkd n LEU 274 Cb 0.59 -1.55 0.21 0.00 -2.33 0.00 0.00 43.42 40.34 2dkd n LEU 274 CO 0.21 0.20 0.60 -2.16 -1.33 0.00 0.00 177.39 174.91 2dkd s PRO 275 N 3.01 0.05 0.56 3.23 0.04 -1.26 -4.91 135.00 135.71 2dkd s PRO 275 Ca 0.83 1.12 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 2dkd s PRO 275 Cb -0.46 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2dkd s PRO 275 CO 0.38 -3.16 1.35 1.17 0.04 0.00 0.00 177.00 176.78 2dkd n LYS 276 N -4.55 1.63 -0.73 4.56 4.81 0.17 -2.82 118.16 121.23 2dkd n LYS 276 Ca 0.07 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 2dkd n LYS 276 Cb 0.53 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.02 2dkd n LYS 276 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2dkd n ASN 277 N -1.06 0.00 -4.61 3.14 4.13 -1.26 -4.79 115.26 110.81 2dkd n ASN 277 Ca 0.11 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.97 2dkd n ASN 277 Cb 0.45 -0.20 -0.08 0.00 -1.54 0.00 0.00 39.78 38.41 2dkd n ASN 277 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2dkd s VAL 278 N -3.52 5.09 -0.66 2.41 1.01 -1.13 -4.89 120.40 118.71 2dkd s VAL 278 Ca 0.00 0.72 -0.23 0.00 0.00 0.00 0.00 61.98 62.47 2dkd s VAL 278 Cb 0.00 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.64 2dkd s VAL 278 CO 0.00 0.07 1.01 -0.54 0.00 0.00 0.00 175.10 175.64 2dkd s LYS 279 N 2.25 3.14 -0.37 2.72 -0.14 -1.26 -4.93 119.74 121.15 2dkd s LYS 279 Ca 0.19 -0.70 -0.39 0.00 -1.36 0.00 0.00 55.97 53.70 2dkd s LYS 279 Cb -0.16 -4.21 -0.15 0.00 -1.68 0.00 0.00 37.83 31.64 2dkd s LYS 279 CO 0.10 -1.84 2.00 -0.35 -0.76 0.00 0.00 175.35 174.50 2dkd n PRO 280 N 7.93 0.81 -3.94 -1.68 -0.04 -1.26 -4.98 135.00 131.85 2dkd n PRO 280 Ca -0.02 0.26 -0.29 0.00 -0.04 0.00 0.00 63.50 63.40 2dkd n PRO 280 Cb 0.46 -2.08 -0.16 0.00 -0.04 0.00 0.00 33.50 31.68 2dkd n PRO 280 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dkd s VAL 281 N 5.51 1.35 0.27 0.52 1.01 -1.26 -5.11 120.40 122.69 2dkd s VAL 281 Ca 1.08 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 2dkd s VAL 281 Cb -1.11 -1.48 -0.15 0.00 0.00 0.00 0.00 36.38 33.65 2dkd s VAL 281 CO 0.60 0.15 0.92 0.59 0.00 0.00 0.00 175.10 177.37 2dkd n ASN 282 N 4.79 0.82 -1.52 3.32 5.03 -1.26 -2.37 115.26 124.06 2dkd n ASN 282 Ca -0.13 1.17 -0.18 0.00 0.87 0.00 0.00 54.58 56.31 2dkd n ASN 282 Cb 0.47 -1.22 -0.08 0.00 -1.02 0.00 0.00 39.78 37.94 2dkd n ASN 282 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2dkd n ASN 283 N 1.41 -4.67 -4.76 6.41 3.02 0.70 -4.94 115.26 112.43 2dkd n ASN 283 Ca 0.11 0.44 -0.36 0.00 -0.03 0.00 0.00 54.58 54.74 2dkd n ASN 283 Cb 0.30 -4.20 -0.07 0.00 -0.61 0.00 0.00 39.78 35.20 2dkd n ASN 283 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2dkd s LYS 284 N -3.52 4.08 0.03 3.52 2.20 -1.00 -4.72 119.74 120.34 2dkd s LYS 284 Ca 0.00 -0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 2dkd s LYS 284 Cb 0.00 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 2dkd s LYS 284 CO 0.00 0.37 1.15 -1.17 -0.36 0.00 0.00 175.35 175.34 2dkd s LEU 285 N 0.13 4.36 0.20 5.43 2.96 -1.26 -4.48 118.68 126.02 2dkd s LEU 285 Ca 0.11 1.91 0.11 0.00 -0.22 0.00 0.00 54.13 56.05 2dkd s LEU 285 Cb -0.12 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 2dkd s LEU 285 CO 0.00 -0.44 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.05 2dkd s TYR 286 N 1.21 2.31 -0.02 5.38 1.51 -0.22 -3.71 117.35 123.81 2dkd s TYR 286 Ca 0.57 -0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 56.27 2dkd s TYR 286 Cb -0.27 -1.13 0.02 0.00 -0.11 0.00 0.00 41.96 40.47 2dkd s TYR 286 CO 0.28 0.52 0.03 0.00 -1.11 0.00 0.00 175.55 175.27 2dkd s ALA 287 N -1.76 0.03 -0.10 3.71 0.00 -0.83 -1.73 121.76 121.08 2dkd s ALA 287 Ca 0.22 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.42 2dkd s ALA 287 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2dkd s ALA 287 CO 0.10 -0.08 -0.14 -1.12 0.00 0.00 0.00 175.76 174.53 2dkd s SER 288 N 0.74 4.00 0.36 0.00 0.01 -0.06 0.20 113.70 118.96 2dkd s SER 288 Ca -0.06 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 56.97 2dkd s SER 288 Cb -0.09 -1.35 -0.01 0.00 0.21 0.00 0.00 66.02 64.79 2dkd s SER 288 CO -0.02 0.23 0.52 -0.36 0.41 0.00 0.00 173.24 174.01 2dkd s PHE 289 N -0.01 3.11 0.59 2.43 2.99 -0.28 -2.21 117.98 124.59 2dkd s PHE 289 Ca -0.04 -0.14 0.08 0.00 0.00 0.00 0.00 56.93 56.83 2dkd s PHE 289 Cb -0.14 -2.09 0.10 0.00 0.00 0.00 0.00 43.02 40.89 2dkd s PHE 289 CO 0.04 -0.11 0.81 -0.40 -0.00 0.00 0.00 175.22 175.56 2dkd n ASP 290 N -1.75 1.95 -0.22 1.36 5.75 -1.14 -1.13 116.55 121.37 2dkd n ASP 290 Ca 0.01 -2.44 0.02 0.00 -0.01 0.00 0.00 54.79 52.36 2dkd n ASP 290 Cb 0.58 -0.44 0.11 0.00 -1.03 0.00 0.00 41.12 40.33 2dkd n ASP 290 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2dkd h GLY 291 N -0.00 0.67 -2.76 6.12 0.00 -1.88 -2.38 103.07 102.84 2dkd h GLY 291 Ca -0.27 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2dkd h GLY 291 CO 0.37 -0.23 0.00 2.09 0.00 0.00 0.00 176.54 178.77 2dkd n ASP 292 N -5.32 4.06 -3.52 0.19 5.75 -1.26 -3.04 116.55 113.41 2dkd n ASP 292 Ca 0.10 -2.07 -0.21 0.00 -0.01 0.00 0.00 54.79 52.60 2dkd n ASP 292 Cb 0.38 -0.51 0.08 0.00 -1.03 0.00 0.00 41.12 40.05 2dkd n ASP 292 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dkd n ALA 293 N 1.56 -1.66 -0.98 2.12 0.00 -0.90 -1.82 120.51 118.83 2dkd n ALA 293 Ca 0.25 0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.94 2dkd n ALA 293 Cb 0.66 -3.98 0.11 0.00 0.00 0.00 0.00 19.45 16.24 2dkd n ALA 293 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dkd n ASP 294 N -3.07 2.09 -3.79 0.00 3.85 -1.26 -1.72 116.55 112.65 2dkd n ASP 294 Ca -0.14 -2.82 -0.14 0.00 -0.71 0.00 0.00 54.79 50.98 2dkd n ASP 294 Cb 0.61 -0.34 -0.15 0.00 -1.35 0.00 0.00 41.12 39.89 2dkd n ASP 294 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2dkd s ARG 295 N -2.35 0.02 -0.08 0.11 0.52 -1.26 -4.43 118.95 111.49 2dkd s ARG 295 Ca 0.24 0.21 0.03 0.00 -0.52 0.00 0.00 55.73 55.69 2dkd s ARG 295 Cb 0.21 -0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.54 2dkd s ARG 295 CO 0.02 -0.12 -0.15 -1.17 0.02 0.00 0.00 175.30 173.90 2dkd s LEU 296 N 0.80 1.73 -0.09 2.53 2.96 -0.83 -2.87 118.68 122.93 2dkd s LEU 296 Ca -0.06 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2dkd s LEU 296 Cb -0.09 -0.96 0.02 0.00 0.50 0.00 0.00 46.19 45.66 2dkd s LEU 296 CO -0.03 0.06 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.36 2dkd s ILE 297 N 0.63 0.85 0.35 6.68 -1.09 -0.94 -4.31 121.20 123.37 2dkd s ILE 297 Ca -0.15 -0.21 0.08 0.00 -2.23 0.00 0.00 60.65 58.13 2dkd s ILE 297 Cb -0.16 -0.88 -0.03 0.00 -1.58 0.00 0.00 42.46 39.81 2dkd s ILE 297 CO 0.04 0.33 0.30 0.00 -1.23 0.00 0.00 174.94 174.38 2dkd s TYR 299 N -2.34 -0.04 0.17 0.00 -0.85 -0.70 -0.41 117.35 113.19 2dkd s TYR 299 Ca 0.42 -0.15 -0.23 0.00 -0.52 0.00 0.00 57.07 56.59 2dkd s TYR 299 Cb -0.05 0.59 0.06 0.00 0.38 0.00 0.00 41.96 42.93 2dkd s TYR 299 CO 0.27 -0.47 0.72 1.52 -1.52 0.00 0.00 175.55 176.06 2dkd s TYR 300 N -2.52 -0.36 -0.13 -3.49 -0.85 -1.00 -1.05 117.35 107.94 2dkd s TYR 300 Ca 0.17 0.08 -0.04 0.00 -0.52 0.00 0.00 57.07 56.76 2dkd s TYR 300 Cb 0.02 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.93 2dkd s TYR 300 CO -0.01 -0.92 0.02 -1.14 -1.52 0.00 0.00 175.55 171.98 2dkd s GLN 301 N -3.66 3.49 0.66 -3.49 0.74 -1.26 -0.52 119.66 115.63 2dkd s GLN 301 Ca 0.06 -0.40 -0.04 0.00 0.05 0.00 0.00 55.36 55.03 2dkd s GLN 301 Cb -0.03 -2.98 0.14 0.00 1.10 0.00 0.00 33.01 31.24 2dkd s GLN 301 CO -0.05 0.46 0.91 0.27 -0.55 0.00 0.00 175.29 176.33 2dkd n ASN 302 N 2.90 0.85 0.00 6.67 0.23 -0.29 -0.22 115.26 125.40 2dkd n ASN 302 Ca -0.18 -1.80 0.04 0.00 -0.53 0.00 0.00 54.58 52.11 2dkd n ASN 302 Cb 0.53 -0.62 0.18 0.00 -2.08 0.00 0.00 39.78 37.78 2dkd n ASN 302 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2dkd n ASN 303 N -3.14 0.00 -1.02 0.53 3.02 -1.26 -0.86 115.26 112.53 2dkd n ASN 303 Ca 0.14 0.39 0.08 0.00 -0.03 0.00 0.00 54.58 55.15 2dkd n ASN 303 Cb 0.49 -0.43 0.26 0.00 -0.61 0.00 0.00 39.78 39.49 2dkd n ASN 303 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2dkd n ASP 304 N -1.43 3.88 -0.20 6.41 8.00 -1.26 -4.94 116.55 127.02 2dkd n ASP 304 Ca 0.02 -2.55 -0.03 0.00 0.71 0.00 0.00 54.79 52.94 2dkd n ASP 304 Cb 0.08 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.71 2dkd n ASP 304 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2dkd n ASN 305 N 0.26 -4.71 -4.77 -2.24 3.02 -0.04 -4.99 115.26 101.80 2dkd n ASN 305 Ca 0.20 0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.42 2dkd n ASN 305 Cb 0.76 -2.44 -0.06 0.00 -0.61 0.00 0.00 39.78 37.43 2dkd n ASN 305 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2dkd s LYS 306 N -1.57 4.71 -0.14 3.52 2.20 -1.26 -4.76 119.74 122.44 2dkd s LYS 306 Ca 0.00 1.36 -0.29 0.00 -0.36 0.00 0.00 55.97 56.67 2dkd s LYS 306 Cb 0.00 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.17 2dkd s LYS 306 CO 0.00 0.46 1.12 0.12 -0.36 0.00 0.00 175.35 176.69 2dkd s PHE 307 N -1.30 3.25 -0.35 4.03 5.36 -1.26 -1.14 117.98 126.56 2dkd s PHE 307 Ca 0.42 1.34 -0.05 0.00 -0.96 0.00 0.00 56.93 57.69 2dkd s PHE 307 Cb -0.23 -3.34 0.06 0.00 -0.34 0.00 0.00 43.02 39.17 2dkd s PHE 307 CO 0.28 -0.88 0.10 0.15 -1.46 0.00 0.00 175.22 173.41 2dkd s LYS 308 N 2.68 2.45 0.11 10.12 -0.14 0.32 -4.98 119.74 130.30 2dkd s LYS 308 Ca 0.51 -1.34 -0.30 0.00 -1.36 0.00 0.00 55.97 53.47 2dkd s LYS 308 Cb -0.20 -3.42 -0.06 0.00 -1.68 0.00 0.00 37.83 32.47 2dkd s LYS 308 CO 0.15 -0.75 1.15 -1.17 -0.76 0.00 0.00 175.35 173.97 2dkd s LEU 309 N 1.31 4.42 -0.66 3.17 2.96 -1.26 -2.38 118.68 126.24 2dkd s LEU 309 Ca -0.01 2.03 0.05 0.00 -0.22 0.00 0.00 54.13 55.99 2dkd s LEU 309 Cb -0.20 -3.59 0.19 0.00 0.50 0.00 0.00 46.19 43.08 2dkd s LEU 309 CO 0.00 -0.36 0.52 0.18 -1.32 0.00 0.00 176.35 175.37 2dkd n LEU 310 N 3.28 2.72 0.00 -0.68 4.77 0.45 -4.96 117.00 122.58 2dkd n LEU 310 Ca 0.06 -5.15 0.00 0.00 -0.03 0.00 0.00 56.01 50.89 2dkd n LEU 310 Cb 0.46 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2dkd n LEU 310 CO 0.55 1.83 0.00 -0.90 -1.33 0.00 0.00 177.39 177.53 2dkd n ASP 311 N 1.84 0.00 -0.27 -1.43 5.68 -1.26 -1.44 116.55 119.67 2dkd n ASP 311 Ca 0.23 -0.71 0.21 0.00 -0.50 0.00 0.00 54.79 54.02 2dkd n ASP 311 Cb 0.38 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 40.88 2dkd n ASP 311 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2dkd h GLY 312 N 0.00 0.94 1.74 6.12 0.00 -1.26 -0.34 103.07 110.26 2dkd h GLY 312 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 2dkd h GLY 312 CO 0.00 -0.04 -0.56 -0.55 0.00 0.00 0.00 176.54 175.38 2dkd h ASP 313 N 0.38 0.00 0.33 0.19 3.32 -1.80 -1.43 116.42 117.42 2dkd h ASP 313 Ca 0.51 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.43 2dkd h ASP 313 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 2dkd h ASP 313 CO -0.21 0.33 -0.53 0.11 -1.72 0.00 0.00 179.24 177.22 2dkd h LYS 314 N 0.00 0.22 0.06 3.56 1.79 -1.40 -1.42 116.57 119.39 2dkd h LYS 314 Ca -0.03 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2dkd h LYS 314 Cb 1.27 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2dkd h LYS 314 CO 0.04 0.70 -0.03 -0.07 -1.08 0.00 0.00 179.45 179.01 2dkd h LEU 315 N 0.17 -0.07 -0.78 2.94 3.38 -1.16 -2.28 115.31 117.51 2dkd h LEU 315 Ca 0.00 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.51 2dkd h LEU 315 Cb 1.00 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2dkd h LEU 315 CO 0.08 0.46 0.51 0.77 0.09 0.00 0.00 178.44 180.35 2dkd h SER 316 N -0.63 0.91 0.52 -0.43 4.64 -1.23 -1.68 113.55 115.65 2dkd h SER 316 Ca -0.01 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 2dkd h SER 316 Cb 0.54 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2dkd h SER 316 CO 0.01 0.66 -0.38 0.71 -0.87 0.00 0.00 176.83 176.97 2dkd h THR 317 N 1.06 1.12 -0.07 2.95 1.35 -1.32 -0.27 112.91 117.75 2dkd h THR 317 Ca 0.29 -1.37 -0.02 0.00 -0.55 0.00 0.00 66.41 64.76 2dkd h THR 317 Cb -0.11 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2dkd h THR 317 CO -0.06 0.37 -0.04 0.25 -0.25 0.00 0.00 175.52 175.79 2dkd h LEU 318 N 0.00 0.15 -1.21 3.87 5.85 -0.79 -1.78 115.31 121.40 2dkd h LEU 318 Ca -0.00 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 2dkd h LEU 318 Cb 0.74 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 2dkd h LEU 318 CO 0.05 0.54 0.17 -0.26 -0.34 0.00 0.00 178.44 178.60 2dkd h PHE 319 N -0.24 0.72 -0.46 1.25 0.05 -1.10 -0.54 116.94 116.62 2dkd h PHE 319 Ca 0.01 -0.04 -0.11 0.00 3.82 0.00 0.00 57.97 61.65 2dkd h PHE 319 Cb 0.49 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 38.20 2dkd h PHE 319 CO 0.07 0.58 -0.14 0.00 -0.18 0.00 0.00 178.31 178.64 2dkd h ALA 320 N 1.48 0.64 -0.22 2.45 0.00 -0.99 -0.16 119.26 122.46 2dkd h ALA 320 Ca 0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2dkd h ALA 320 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2dkd h ALA 320 CO -0.01 0.56 0.07 1.25 0.00 0.00 0.00 179.25 181.12 2dkd h LEU 321 N 0.75 0.32 0.08 0.00 5.85 -0.93 -0.96 115.31 120.42 2dkd h LEU 321 Ca 0.11 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2dkd h LEU 321 Cb 0.70 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2dkd h LEU 321 CO 0.05 0.43 -0.24 0.15 -0.34 0.00 0.00 178.44 178.50 2dkd h PHE 322 N 0.19 -0.64 -0.70 1.25 3.57 -1.00 -0.10 116.94 119.50 2dkd h PHE 322 Ca 0.07 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.64 2dkd h PHE 322 Cb 0.23 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 2dkd h PHE 322 CO 0.00 -0.34 0.40 -0.07 -2.23 0.00 0.00 178.31 176.08 2dkd h LEU 323 N -0.42 0.61 -1.18 0.59 3.38 -0.92 -1.43 115.31 115.94 2dkd h LEU 323 Ca 0.04 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2dkd h LEU 323 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2dkd h LEU 323 CO -0.16 0.39 -0.14 -0.61 0.09 0.00 0.00 178.44 178.01 2dkd h GLN 324 N 0.74 0.39 -0.32 1.13 4.15 -0.78 -1.74 115.11 118.69 2dkd h GLN 324 Ca 0.31 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.53 2dkd h GLN 324 Cb 0.18 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2dkd h GLN 324 CO -0.18 0.54 -0.21 1.96 -1.93 0.00 0.00 178.83 179.01 2dkd h GLN 325 N 0.37 0.60 -0.34 1.69 1.08 0.01 -2.61 115.11 115.90 2dkd h GLN 325 Ca 0.07 -0.22 -0.15 0.00 -1.45 0.00 0.00 58.65 56.90 2dkd h GLN 325 Cb 0.48 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2dkd h GLN 325 CO 0.03 0.77 -0.39 -0.07 -0.95 0.00 0.00 178.83 178.22 2dkd h LEU 326 N 0.53 0.88 -1.27 1.46 3.38 -0.92 -3.08 115.31 116.29 2dkd h LEU 326 Ca 0.08 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2dkd h LEU 326 Cb 0.66 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2dkd h LEU 326 CO 0.05 1.16 0.39 -0.26 0.09 0.00 0.00 178.44 179.87 2dkd h PHE 327 N 0.68 0.86 0.00 1.13 0.05 -1.06 -0.48 116.94 118.12 2dkd h PHE 327 Ca 0.06 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.85 2dkd h PHE 327 Cb 0.96 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 38.62 2dkd h PHE 327 CO 0.05 0.57 -0.00 0.87 -0.18 0.00 0.00 178.31 179.63 2dkd h LYS 328 N 0.90 0.00 0.00 1.51 1.57 -1.38 -0.31 116.57 118.86 2dkd h LYS 328 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2dkd h LYS 328 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2dkd h LYS 328 CO -0.04 0.00 -0.78 1.04 -0.57 0.00 0.00 179.45 179.10 2dkd n GLN 329 N -3.13 0.16 -4.08 3.15 1.13 -0.21 -4.91 117.38 109.49 2dkd n GLN 329 Ca -0.03 0.01 -0.35 0.00 -1.94 0.00 0.00 57.00 54.69 2dkd n GLN 329 Cb 0.10 -1.57 -0.07 0.00 0.11 0.00 0.00 30.24 28.81 2dkd n GLN 329 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2dkd s ILE 330 N -3.10 4.97 -0.30 5.09 -4.36 -0.13 -4.27 121.20 119.09 2dkd s ILE 330 Ca 0.07 -0.09 -0.29 0.00 -0.26 0.00 0.00 60.65 60.09 2dkd s ILE 330 Cb 0.15 -3.18 -0.01 0.00 1.25 0.00 0.00 42.46 40.68 2dkd s ILE 330 CO 0.76 0.54 1.56 -0.62 0.24 0.00 0.00 174.94 177.42 2dkd s ASP 331 N -1.19 6.30 0.57 4.36 -1.08 -1.26 -4.90 116.67 119.46 2dkd s ASP 331 Ca 0.17 1.29 0.35 0.00 -0.52 0.00 0.00 52.55 53.84 2dkd s ASP 331 Cb -0.12 -2.53 1.55 0.00 -1.46 0.00 0.00 42.92 40.36 2dkd s ASP 331 CO 0.07 -1.38 2.06 1.55 0.52 0.00 0.00 175.17 177.98 2dkd h PRO 332 N 11.01 0.00 0.00 4.34 0.13 -1.90 -1.88 132.00 143.70 2dkd h PRO 332 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2dkd h PRO 332 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2dkd h PRO 332 CO 1.03 0.02 0.00 1.79 -0.23 0.00 0.00 178.00 180.61 2dkd h THR 333 N 0.00 0.00 0.02 1.56 1.35 -2.03 -3.26 112.91 110.55 2dkd h THR 333 Ca -0.00 -0.53 -0.38 0.00 -0.55 0.00 0.00 66.41 64.95 2dkd h THR 333 Cb 0.42 1.47 -0.06 0.00 -1.73 0.00 0.00 68.15 68.25 2dkd h THR 333 CO 0.00 0.00 -2.33 0.29 -0.25 0.00 0.00 175.52 173.23 2dkd n LYS 334 N -2.59 0.68 -3.72 4.72 4.76 -0.75 -4.97 118.16 116.28 2dkd n LYS 334 Ca 0.03 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.50 2dkd n LYS 334 Cb 0.38 -1.57 -0.13 0.00 -1.84 0.00 0.00 35.03 31.87 2dkd n LYS 334 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2dkd s ILE 335 N -2.53 -0.08 -0.29 -0.18 1.10 -0.91 -5.11 121.20 113.21 2dkd s ILE 335 Ca -0.27 0.17 -0.07 0.00 -0.51 0.00 0.00 60.65 59.97 2dkd s ILE 335 Cb 0.08 -0.37 -0.00 0.00 0.15 0.00 0.00 42.46 42.31 2dkd s ILE 335 CO 0.68 0.07 0.08 -0.94 -2.11 0.00 0.00 174.94 172.73 2dkd s SER 336 N 1.37 5.15 -0.02 4.50 1.04 -1.26 -4.28 113.70 120.20 2dkd s SER 336 Ca -0.08 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 55.78 2dkd s SER 336 Cb -0.11 -1.90 0.01 0.00 0.10 0.00 0.00 66.02 64.12 2dkd s SER 336 CO -0.08 -0.16 -0.05 -0.76 0.98 0.00 0.00 173.24 173.17 2dkd s LEU 337 N 1.53 1.66 0.31 2.42 1.43 -1.26 -5.09 118.68 119.69 2dkd s LEU 337 Ca 0.04 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.11 2dkd s LEU 337 Cb -0.17 -0.38 -0.05 0.00 0.03 0.00 0.00 46.19 45.63 2dkd s LEU 337 CO 0.03 0.01 0.05 0.54 0.23 0.00 0.00 176.35 177.21 2dkd s ASN 338 N 0.38 4.49 0.03 2.29 6.03 -1.26 -5.05 114.94 121.86 2dkd s ASN 338 Ca -0.05 -0.79 0.05 0.00 -1.03 0.00 0.00 52.86 51.04 2dkd s ASN 338 Cb -0.09 -0.71 -0.02 0.00 -3.03 0.00 0.00 41.25 37.40 2dkd s ASN 338 CO -0.00 -0.18 -0.14 -0.63 -2.03 0.00 0.00 177.10 174.13 2dkd s ILE 339 N -2.42 1.07 0.03 0.54 1.01 -1.26 -2.53 121.20 117.64 2dkd s ILE 339 Ca 0.35 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2dkd s ILE 339 Cb -0.03 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2dkd s ILE 339 CO 0.21 0.02 -0.06 -0.83 0.00 0.00 0.00 174.94 174.28 2dkd s GLY 340 N -1.06 0.39 -0.14 6.18 0.00 -0.79 -4.07 107.32 107.83 2dkd s GLY 340 Ca 0.01 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.11 2dkd s GLY 340 CO 0.01 -0.69 -0.19 0.14 0.00 0.00 0.00 173.10 172.38 2dkd s VAL 341 N -1.24 2.39 -0.10 1.40 1.01 -0.61 -1.14 120.40 122.10 2dkd s VAL 341 Ca -0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 2dkd s VAL 341 Cb -0.09 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2dkd s VAL 341 CO -0.00 0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 174.85 2dkd s VAL 342 N 0.75 3.45 0.27 2.92 1.01 0.77 -1.01 120.40 128.56 2dkd s VAL 342 Ca -0.08 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.42 2dkd s VAL 342 Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 2dkd s VAL 342 CO 0.00 0.55 0.20 0.00 0.00 0.00 0.00 175.10 175.86 2dkd n GLN 343 N 2.94 0.39 -4.72 2.72 6.02 0.18 -2.76 117.38 122.14 2dkd n GLN 343 Ca -0.18 -2.66 -0.31 0.00 -0.01 0.00 0.00 57.00 53.84 2dkd n GLN 343 Cb 0.53 2.04 -0.09 0.00 1.02 0.00 0.00 30.24 33.74 2dkd n GLN 343 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2dkd s THR 344 N -3.01 1.35 -0.30 5.09 -4.23 -1.26 -1.46 115.64 111.82 2dkd s THR 344 Ca 0.29 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.02 2dkd s THR 344 Cb 0.01 -2.38 0.22 0.00 1.34 0.00 0.00 72.50 71.70 2dkd s THR 344 CO 0.20 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.95 2dkd n ALA 345 N -1.18 1.24 1.08 3.99 0.00 -1.26 -2.12 120.51 122.26 2dkd n ALA 345 Ca -0.15 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.58 2dkd n ALA 345 Cb 0.67 -1.34 0.63 0.00 0.00 0.00 0.00 19.45 19.41 2dkd n ALA 345 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dkd n TYR 346 N -2.25 0.00 -2.26 0.00 4.02 -1.26 -4.85 117.16 110.57 2dkd n TYR 346 Ca -0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.48 2dkd n TYR 346 Cb 0.10 -0.42 -0.03 0.00 -0.02 0.00 0.00 39.34 38.97 2dkd n TYR 346 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dkd s ALA 347 N -2.84 3.45 0.31 -0.72 0.00 -0.90 -4.81 121.76 116.25 2dkd s ALA 347 Ca 0.18 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 2dkd s ALA 347 Cb 0.18 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.77 2dkd s ALA 347 CO 0.47 -0.45 1.55 -1.71 0.00 0.00 0.00 175.76 175.62 2dkd n ASN 348 N 0.92 3.72 0.02 0.00 5.15 -1.26 -4.86 115.26 118.95 2dkd n ASN 348 Ca -0.00 1.17 0.15 0.00 -0.60 0.00 0.00 54.58 55.29 2dkd n ASN 348 Cb 0.43 -1.58 0.60 0.00 -0.53 0.00 0.00 39.78 38.70 2dkd n ASN 348 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2dkd h GLY 349 N 4.25 0.23 1.91 8.20 0.00 -1.93 -1.35 103.07 114.38 2dkd h GLY 349 Ca -0.48 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 2dkd h GLY 349 CO 0.75 0.04 -0.31 1.76 0.00 0.00 0.00 176.54 178.78 2dkd h SER 350 N 0.17 0.10 -0.43 0.19 0.02 -1.89 -1.89 113.55 109.82 2dkd h SER 350 Ca 0.21 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 2dkd h SER 350 Cb 0.63 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2dkd h SER 350 CO -0.03 0.41 -0.06 0.77 -1.14 0.00 0.00 176.83 176.78 2dkd h SER 351 N 0.09 0.81 -0.29 3.07 4.64 -1.59 -1.03 113.55 119.26 2dkd h SER 351 Ca 0.01 -0.34 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 2dkd h SER 351 Cb 0.59 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2dkd h SER 351 CO 0.04 0.96 0.12 0.74 -0.87 0.00 0.00 176.83 177.82 2dkd h THR 352 N 0.64 1.17 -0.72 2.95 2.02 -1.43 -2.39 112.91 115.16 2dkd h THR 352 Ca 0.12 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2dkd h THR 352 Cb 0.58 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 2dkd h THR 352 CO 0.03 0.18 0.28 0.50 0.37 0.00 0.00 175.52 176.89 2dkd h LYS 353 N 0.32 1.06 -0.36 6.66 3.64 -1.26 -2.00 116.57 124.63 2dkd h LYS 353 Ca 0.10 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2dkd h LYS 353 Cb 0.17 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2dkd h LYS 353 CO -0.01 0.87 0.23 -0.92 -2.27 0.00 0.00 179.45 177.35 2dkd h TYR 354 N 1.04 0.45 -0.14 1.91 3.20 -0.99 0.24 116.97 122.68 2dkd h TYR 354 Ca 0.24 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 2dkd h TYR 354 Cb 0.21 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2dkd h TYR 354 CO 0.02 0.30 0.06 0.28 -1.64 0.00 0.00 178.16 177.18 2dkd h VAL 355 N 0.47 1.14 -0.26 1.81 2.07 -1.11 0.14 116.25 120.52 2dkd h VAL 355 Ca 0.13 -0.43 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 2dkd h VAL 355 Cb -0.03 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2dkd h VAL 355 CO -0.03 0.13 -0.27 -0.33 0.02 0.00 0.00 177.57 177.10 2dkd h GLU 356 N 0.09 0.64 0.09 1.57 5.08 -1.22 0.82 114.58 121.64 2dkd h GLU 356 Ca 0.05 -0.34 -0.32 0.00 -1.00 0.00 0.00 59.36 57.75 2dkd h GLU 356 Cb 0.16 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2dkd h GLU 356 CO -0.00 0.94 -1.73 -0.44 -1.00 0.00 0.00 179.01 176.77 2dkd h ASP 357 N 0.35 0.29 0.00 1.42 3.32 -0.55 -3.22 116.42 118.04 2dkd h ASP 357 Ca 0.04 -0.53 -0.24 0.00 0.02 0.00 0.00 57.03 56.33 2dkd h ASP 357 Cb 0.83 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 2dkd h ASP 357 CO 0.07 1.46 -1.61 0.52 -1.72 0.00 0.00 179.24 177.95 2dkd n VAL 358 N -3.35 1.51 0.15 -1.35 0.31 0.44 -4.48 118.33 111.56 2dkd n VAL 358 Ca -0.22 -0.10 0.02 0.00 -0.01 0.00 0.00 64.34 64.04 2dkd n VAL 358 Cb 1.05 -2.10 0.18 0.00 -0.91 0.00 0.00 33.84 32.05 2dkd n VAL 358 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2dkd h LEU 359 N -1.00 0.00 -1.44 7.52 3.38 -1.32 -3.47 115.31 118.97 2dkd h LEU 359 Ca -0.36 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.26 2dkd h LEU 359 Cb 1.24 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.15 2dkd h LEU 359 CO -0.22 0.53 -0.75 0.29 0.09 0.00 0.00 178.44 178.39 2dkd n LYS 360 N -3.50 -6.92 -4.74 1.13 4.76 0.23 -5.01 118.16 104.11 2dkd n LYS 360 Ca 0.00 0.83 -0.28 0.00 -2.87 0.00 0.00 58.31 55.99 2dkd n LYS 360 Cb 0.63 -5.85 -0.14 0.00 -1.84 0.00 0.00 35.03 27.83 2dkd n LYS 360 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2dkd s ILE 361 N -3.36 1.98 0.31 -0.18 1.01 -0.88 -5.01 121.20 115.07 2dkd s ILE 361 Ca 0.16 -1.38 -0.29 0.00 0.00 0.00 0.00 60.65 59.14 2dkd s ILE 361 Cb -0.07 -1.72 -0.12 0.00 0.01 0.00 0.00 42.46 40.56 2dkd s ILE 361 CO 0.73 0.27 1.44 -2.65 0.00 0.00 0.00 174.94 174.73 2dkd n PRO 362 N 1.68 2.36 -4.69 2.79 -0.02 -1.26 -4.16 135.00 131.70 2dkd n PRO 362 Ca -0.17 0.83 -0.25 0.00 -2.02 0.00 0.00 63.50 61.90 2dkd n PRO 362 Cb 0.53 -2.52 -0.14 0.00 -0.02 0.00 0.00 33.50 31.34 2dkd n PRO 362 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dkd s VAL 363 N -0.52 1.51 0.02 -1.45 0.11 -1.26 -1.57 120.40 117.23 2dkd s VAL 363 Ca 0.61 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.66 2dkd s VAL 363 Cb -0.55 -1.30 -0.01 0.00 -1.53 0.00 0.00 36.38 32.99 2dkd s VAL 363 CO 0.55 0.25 -0.07 -0.13 -3.33 0.00 0.00 175.10 172.37 2dkd s ARG 364 N -0.90 0.53 -0.17 1.54 1.81 -0.18 -4.96 118.95 116.62 2dkd s ARG 364 Ca 0.06 -0.47 -0.00 0.00 -1.72 0.00 0.00 55.73 53.61 2dkd s ARG 364 Cb -0.08 -0.43 0.00 0.00 -0.45 0.00 0.00 34.95 33.99 2dkd s ARG 364 CO 0.01 0.10 -0.15 0.00 -0.68 0.00 0.00 175.30 174.58 2dkd s THR 366 N 0.98 1.94 1.13 0.00 -4.23 -0.54 -4.83 115.64 110.08 2dkd s THR 366 Ca -0.02 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.36 2dkd s THR 366 Cb -0.15 -2.95 0.26 0.00 1.34 0.00 0.00 72.50 71.00 2dkd s THR 366 CO -0.03 0.00 1.04 -2.84 -0.54 0.00 0.00 174.62 172.26 2dkd s PRO 367 N -3.72 -0.65 0.58 3.99 0.02 -1.26 -4.30 135.00 129.67 2dkd s PRO 367 Ca 0.34 0.76 -0.17 0.00 0.02 0.00 0.00 61.00 61.94 2dkd s PRO 367 Cb 0.10 -1.59 -0.04 0.00 0.02 0.00 0.00 34.50 32.98 2dkd s PRO 367 CO 0.17 -3.52 1.08 0.95 -0.33 0.00 0.00 177.00 175.35 2dkd s THR 368 N -2.58 3.58 0.00 0.99 -4.23 -1.26 -4.53 115.64 107.61 2dkd s THR 368 Ca 0.68 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 62.01 2dkd s THR 368 Cb -0.23 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.29 2dkd s THR 368 CO 0.63 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 2dkd n GLY 369 N -0.58 2.50 0.48 3.99 0.00 -1.26 -4.78 105.19 105.54 2dkd n GLY 369 Ca 0.10 -1.07 0.29 0.00 0.00 0.00 0.00 46.02 45.34 2dkd n GLY 369 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2dkd h VAL 370 N 0.00 0.49 -0.74 1.61 -1.51 -1.98 0.22 116.25 114.35 2dkd h VAL 370 Ca 0.00 -0.04 0.07 0.00 -1.23 0.00 0.00 66.70 65.50 2dkd h VAL 370 Cb 0.00 0.37 -0.06 0.00 -2.13 0.00 0.00 31.29 29.47 2dkd h VAL 370 CO 0.00 0.02 0.43 0.50 -1.23 0.00 0.00 177.57 177.29 2dkd h LYS 371 N 0.11 0.75 -0.11 5.19 3.64 -1.96 0.84 116.57 125.03 2dkd h LYS 371 Ca 0.53 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.81 2dkd h LYS 371 Cb 1.86 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.51 2dkd h LYS 371 CO -0.08 0.50 -0.12 0.45 -2.27 0.00 0.00 179.45 177.92 2dkd h HIS 372 N 0.77 0.34 -0.16 1.91 3.86 -0.88 -1.72 115.15 119.26 2dkd h HIS 372 Ca 0.33 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2dkd h HIS 372 Cb 0.21 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2dkd h HIS 372 CO -0.06 0.70 0.09 -0.07 0.86 0.00 0.00 177.93 179.45 2dkd h LEU 373 N -0.12 0.20 -0.42 2.43 4.07 -0.89 -2.65 115.31 117.92 2dkd h LEU 373 Ca 0.02 -0.07 0.06 0.00 0.08 0.00 0.00 57.88 57.96 2dkd h LEU 373 Cb 0.65 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.29 2dkd h LEU 373 CO 0.03 0.21 0.13 -0.74 -1.08 0.00 0.00 178.44 176.99 2dkd h HIS 374 N 0.17 0.22 -0.44 1.13 2.76 0.67 -1.06 115.15 118.60 2dkd h HIS 374 Ca 0.06 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.33 2dkd h HIS 374 Cb 0.05 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 28.91 2dkd h HIS 374 CO -0.04 0.07 0.02 1.25 -1.30 0.00 0.00 177.93 177.93 2dkd h HIS 375 N 0.28 0.01 -0.30 5.26 6.17 -1.12 -1.34 115.15 124.12 2dkd h HIS 375 Ca 0.20 0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.20 2dkd h HIS 375 Cb 0.21 0.06 -0.01 0.00 2.52 0.00 0.00 27.41 30.18 2dkd h HIS 375 CO -0.17 -0.07 -0.25 1.49 0.71 0.00 0.00 177.93 179.64 2dkd h GLU 376 N 0.13 0.58 0.00 5.26 4.57 -1.12 -2.76 114.58 121.25 2dkd h GLU 376 Ca 0.22 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2dkd h GLU 376 Cb 0.31 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2dkd h GLU 376 CO -0.35 0.79 -0.05 0.00 -1.18 0.00 0.00 179.01 178.22 2dkd h ALA 377 N 1.21 1.78 0.00 2.92 0.00 -0.10 -0.74 119.26 124.33 2dkd h ALA 377 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2dkd h ALA 377 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dkd h ALA 377 CO 0.05 0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.75 2dkd n GLU 378 N -4.28 0.04 -0.04 0.00 1.02 -0.84 -2.38 120.64 114.15 2dkd n GLU 378 Ca -0.03 0.27 0.03 0.00 -0.02 0.00 0.00 57.16 57.42 2dkd n GLU 378 Cb 0.13 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.18 2dkd n GLU 378 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2dkd n ASN 379 N -1.45 0.50 -4.28 1.62 3.02 -0.28 -4.83 115.26 109.55 2dkd n ASN 379 Ca 0.03 -1.91 -0.15 0.00 -0.03 0.00 0.00 54.58 52.52 2dkd n ASN 379 Cb 0.12 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.14 2dkd n ASN 379 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2dkd s PHE 380 N -1.88 1.38 0.11 3.10 0.40 -1.00 -5.04 117.98 115.05 2dkd s PHE 380 Ca 0.10 -1.00 -0.14 0.00 -0.60 0.00 0.00 56.93 55.30 2dkd s PHE 380 Cb 0.05 -0.79 -0.07 0.00 0.51 0.00 0.00 43.02 42.72 2dkd s PHE 380 CO 0.08 -0.16 1.44 -0.44 0.70 0.00 0.00 175.22 176.84 2dkd h ASP 381 N 2.58 0.82 -3.30 1.36 3.45 -1.86 -3.39 116.42 116.08 2dkd h ASP 381 Ca -0.37 -0.46 -0.53 0.00 0.43 0.00 0.00 57.03 56.10 2dkd h ASP 381 Cb 1.22 -0.23 -0.38 0.00 -0.56 0.00 0.00 39.33 39.37 2dkd h ASP 381 CO 0.63 1.11 -0.78 -0.63 -1.57 0.00 0.00 179.24 178.00 2dkd s ILE 382 N -4.41 0.91 -0.26 0.35 1.01 -1.05 -0.18 121.20 117.58 2dkd s ILE 382 Ca -0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 2dkd s ILE 382 Cb 0.09 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.45 2dkd s ILE 382 CO 0.84 0.11 -0.00 -0.83 0.00 0.00 0.00 174.94 175.06 2dkd s GLY 383 N 1.72 1.69 -0.32 6.18 0.00 -0.39 -1.88 107.32 114.31 2dkd s GLY 383 Ca 0.01 -1.39 -0.13 0.00 0.00 0.00 0.00 44.72 43.21 2dkd s GLY 383 CO -0.07 0.55 0.28 0.14 0.00 0.00 0.00 173.10 174.00 2dkd s VAL 384 N 1.43 5.24 -0.04 1.40 1.01 -0.30 -1.39 120.40 127.75 2dkd s VAL 384 Ca 0.02 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2dkd s VAL 384 Cb -0.16 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2dkd s VAL 384 CO -0.01 0.03 -0.04 -0.72 0.00 0.00 0.00 175.10 174.35 2dkd s TYR 385 N 1.85 0.72 -0.01 5.22 -0.85 -0.72 -0.16 117.35 123.39 2dkd s TYR 385 Ca 0.09 -0.19 -0.10 0.00 -0.52 0.00 0.00 57.07 56.35 2dkd s TYR 385 Cb -0.17 -0.66 0.01 0.00 0.38 0.00 0.00 41.96 41.53 2dkd s TYR 385 CO 0.11 -0.19 0.20 -0.06 -1.52 0.00 0.00 175.55 174.09 2dkd s PHE 386 N 0.96 -0.07 0.17 -3.49 0.40 -1.11 -1.29 117.98 113.55 2dkd s PHE 386 Ca -0.10 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 2dkd s PHE 386 Cb -0.14 0.02 -0.04 0.00 0.51 0.00 0.00 43.02 43.36 2dkd s PHE 386 CO -0.00 -0.30 0.34 -1.21 0.70 0.00 0.00 175.22 174.75 2dkd s GLU 387 N -1.16 3.49 0.54 0.44 2.02 0.25 -4.44 118.70 119.84 2dkd s GLU 387 Ca -0.12 -0.42 0.21 0.00 0.02 0.00 0.00 54.97 54.66 2dkd s GLU 387 Cb -0.06 -2.90 1.41 0.00 0.10 0.00 0.00 34.13 32.68 2dkd s GLU 387 CO 0.02 0.46 2.13 0.00 0.02 0.00 0.00 175.26 177.89 2dkd h ALA 388 N 2.18 2.02 0.00 5.21 0.00 -1.87 -1.49 119.26 125.30 2dkd h ALA 388 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2dkd h ALA 388 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2dkd h ALA 388 CO 0.69 -0.16 0.00 0.27 0.00 0.00 0.00 179.25 180.05 2dkd n ASN 389 N -4.34 0.00 0.00 0.00 0.23 -1.26 -1.10 115.26 108.78 2dkd n ASN 389 Ca -0.00 -0.17 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 2dkd n ASN 389 Cb 0.21 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 2dkd n ASN 389 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dkd n GLY 390 N -0.48 0.51 3.71 4.83 0.00 -0.56 -4.60 105.19 108.61 2dkd n GLY 390 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2dkd n GLY 390 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dkd s HIS 391 N -2.21 3.51 0.00 1.61 5.04 -1.25 -1.96 115.29 120.03 2dkd s HIS 391 Ca 0.00 0.94 0.00 0.00 -1.54 0.00 0.00 55.06 54.46 2dkd s HIS 391 Cb 0.00 -2.61 0.00 0.00 0.04 0.00 0.00 32.58 30.01 2dkd s HIS 391 CO 0.00 0.12 0.00 0.41 -2.34 0.00 0.00 174.74 172.93 2dkd n GLY 392 N 3.31 1.30 0.00 1.59 0.00 -1.26 -0.58 105.19 109.55 2dkd n GLY 392 Ca -0.06 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2dkd n GLY 392 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dkd n THR 393 N -0.96 0.00 -4.91 2.61 5.66 -0.41 -4.02 114.28 112.25 2dkd n THR 393 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 2dkd n THR 393 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 2dkd n THR 393 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2dkd s VAL 394 N -2.80 1.56 0.22 1.08 1.01 -1.26 -1.76 120.40 118.45 2dkd s VAL 394 Ca 0.00 -0.78 0.12 0.00 0.00 0.00 0.00 61.98 61.32 2dkd s VAL 394 Cb 0.00 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2dkd s VAL 394 CO 0.00 0.45 -0.22 0.27 0.00 0.00 0.00 175.10 175.60 2dkd s ILE 395 N 0.12 2.43 -0.05 2.22 -4.36 -0.49 -4.21 121.20 116.87 2dkd s ILE 395 Ca -0.07 -2.14 0.06 0.00 -0.26 0.00 0.00 60.65 58.24 2dkd s ILE 395 Cb -0.13 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.36 2dkd s ILE 395 CO 0.03 -0.21 -0.24 -0.36 0.24 0.00 0.00 174.94 174.40 2dkd s PHE 396 N -1.96 2.29 0.25 1.37 0.40 -1.26 -1.26 117.98 117.81 2dkd s PHE 396 Ca 0.24 -0.65 -0.30 0.00 -0.60 0.00 0.00 56.93 55.62 2dkd s PHE 396 Cb -0.07 -1.50 -0.10 0.00 0.51 0.00 0.00 43.02 41.85 2dkd s PHE 396 CO 0.12 -0.19 1.49 1.21 0.70 0.00 0.00 175.22 178.54 2dkd s ASN 397 N -0.18 6.59 0.21 1.36 3.84 0.75 -4.81 114.94 122.70 2dkd s ASN 397 Ca -0.02 2.71 -0.16 0.00 0.21 0.00 0.00 52.86 55.60 2dkd s ASN 397 Cb -0.13 -2.62 0.22 0.00 -0.55 0.00 0.00 41.25 38.17 2dkd s ASN 397 CO 0.03 -0.76 1.60 -0.65 -2.79 0.00 0.00 177.10 174.53 2dkd h PRO 398 N 5.23 -0.06 -0.12 0.43 0.11 -1.96 0.14 132.00 135.77 2dkd h PRO 398 Ca -0.46 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 2dkd h PRO 398 Cb 1.22 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2dkd h PRO 398 CO 0.80 -0.04 -0.41 1.05 -0.21 0.00 0.00 178.00 179.18 2dkd h GLU 399 N -0.07 0.26 -0.40 1.05 4.11 -1.98 -2.38 114.58 115.18 2dkd h GLU 399 Ca 0.30 -0.13 -0.09 0.00 0.07 0.00 0.00 59.36 59.51 2dkd h GLU 399 Cb 0.53 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2dkd h GLU 399 CO -0.71 0.64 -0.09 0.00 0.07 0.00 0.00 179.01 178.92 2dkd h ALA 400 N 1.35 0.55 -0.60 1.06 0.00 -1.53 -1.99 119.26 118.10 2dkd h ALA 400 Ca 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2dkd h ALA 400 Cb 0.83 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2dkd h ALA 400 CO 0.07 0.41 0.34 1.49 0.00 0.00 0.00 179.25 181.56 2dkd h GLU 401 N 0.57 0.82 -0.40 0.00 4.81 -0.56 -0.84 114.58 118.99 2dkd h GLU 401 Ca 0.10 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 2dkd h GLU 401 Cb 0.61 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2dkd h GLU 401 CO 0.04 0.60 -0.12 -0.22 -0.73 0.00 0.00 179.01 178.57 2dkd h LYS 402 N 0.84 0.78 -0.88 1.92 3.64 -1.22 -1.69 116.57 119.96 2dkd h LYS 402 Ca 0.22 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2dkd h LYS 402 Cb 0.00 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 2dkd h LYS 402 CO -0.04 0.93 0.52 0.87 -2.27 0.00 0.00 179.45 179.46 2dkd h LYS 403 N 0.59 1.21 -0.75 1.90 1.57 -0.74 0.16 116.57 120.51 2dkd h LYS 403 Ca 0.10 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2dkd h LYS 403 Cb 0.65 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 2dkd h LYS 403 CO 0.04 0.85 0.33 0.82 -0.57 0.00 0.00 179.45 180.92 2dkd h ILE 404 N 1.22 1.25 0.00 1.86 2.04 -0.95 -0.60 117.51 122.32 2dkd h ILE 404 Ca 0.32 -0.75 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 2dkd h ILE 404 Cb -0.04 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 2dkd h ILE 404 CO -0.06 0.31 -0.51 -0.26 0.00 0.00 0.00 178.15 177.63 2dkd h PHE 405 N 1.07 0.00 0.00 1.37 -1.00 -0.75 -3.20 116.94 114.43 2dkd h PHE 405 Ca 0.25 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.03 2dkd h PHE 405 Cb 0.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.73 2dkd h PHE 405 CO 0.01 0.51 -0.41 -0.44 -1.61 0.00 0.00 178.31 176.38 2dkd h ASP 406 N 0.00 0.00 -2.73 2.17 3.32 -0.43 -3.46 116.42 115.29 2dkd h ASP 406 Ca -0.01 -0.09 -0.54 0.00 0.02 0.00 0.00 57.03 56.41 2dkd h ASP 406 Cb 1.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 2dkd h ASP 406 CO 0.07 0.05 0.98 -0.47 -1.72 0.00 0.00 179.24 178.15 2dkd s TYR 407 N -3.18 2.38 -0.48 4.55 6.04 -0.26 -4.97 117.35 121.43 2dkd s TYR 407 Ca 0.07 0.46 0.02 0.00 0.04 0.00 0.00 57.07 57.65 2dkd s TYR 407 Cb 0.11 -3.82 0.13 0.00 -1.04 0.00 0.00 41.96 37.34 2dkd s TYR 407 CO 0.69 -3.30 0.23 -1.59 -1.54 0.00 0.00 175.55 170.04 2dkd s LYS 408 N 3.25 1.96 1.01 4.97 0.00 -1.26 -5.02 119.74 124.65 2dkd s LYS 408 Ca 0.69 -2.35 -0.14 0.00 0.00 0.00 0.00 55.97 54.17 2dkd s LYS 408 Cb -0.33 -3.39 0.08 0.00 0.00 0.00 0.00 37.83 34.19 2dkd s LYS 408 CO 0.28 -1.07 0.35 -2.30 0.00 0.00 0.00 175.35 172.61 2dkd n PRO 409 N 3.59 -0.82 -0.13 1.78 -0.02 -1.26 -4.97 135.00 133.17 2dkd n PRO 409 Ca 0.05 -0.20 0.05 0.00 -2.02 0.00 0.00 63.50 61.37 2dkd n PRO 409 Cb 0.36 -1.85 0.12 0.00 -0.02 0.00 0.00 33.50 32.11 2dkd n PRO 409 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2dkd n ASN 410 N -1.77 2.68 -3.80 2.55 2.04 -1.26 -4.92 115.26 110.77 2dkd n ASN 410 Ca 0.05 -1.94 -0.13 0.00 -0.44 0.00 0.00 54.58 52.12 2dkd n ASN 410 Cb 0.56 -0.17 -0.12 0.00 -2.53 0.00 0.00 39.78 37.52 2dkd n ASN 410 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2dkd s ASN 411 N -0.98 -0.20 0.43 0.53 4.22 -1.26 -5.06 114.94 112.62 2dkd s ASN 411 Ca 0.18 0.38 0.19 0.00 -2.14 0.00 0.00 52.86 51.48 2dkd s ASN 411 Cb 0.10 0.41 1.13 0.00 1.28 0.00 0.00 41.25 44.17 2dkd s ASN 411 CO 0.13 -0.10 1.84 0.44 -2.04 0.00 0.00 177.10 177.37 2dkd h ASP 412 N 5.69 0.37 -0.10 3.54 3.45 -1.99 -0.84 116.42 126.55 2dkd h ASP 412 Ca -0.26 0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.23 2dkd h ASP 412 Cb 1.20 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2dkd h ASP 412 CO 0.38 0.13 -0.01 -1.13 -1.57 0.00 0.00 179.24 177.04 2dkd h ASN 413 N 0.36 0.18 0.62 6.45 -1.24 -1.97 -2.21 115.58 117.78 2dkd h ASN 413 Ca 0.50 -0.34 -0.09 0.00 0.71 0.00 0.00 56.30 57.08 2dkd h ASN 413 Cb 1.32 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.31 2dkd h ASN 413 CO -0.18 0.48 -0.42 -0.08 -1.29 0.00 0.00 177.43 175.94 2dkd h GLU 414 N -0.11 0.00 -0.42 6.67 4.81 -1.56 -2.48 114.58 121.48 2dkd h GLU 414 Ca 0.03 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 2dkd h GLU 414 Cb 0.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2dkd h GLU 414 CO 0.01 0.42 -0.26 0.00 -0.73 0.00 0.00 179.01 178.45 2dkd h ALA 415 N 1.58 0.60 -0.01 2.92 0.00 -1.09 -0.94 119.26 122.32 2dkd h ALA 415 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2dkd h ALA 415 Cb 0.84 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dkd h ALA 415 CO 0.05 0.61 0.00 0.87 0.00 0.00 0.00 179.25 180.79 2dkd h LYS 416 N 0.75 0.01 -0.02 0.00 1.57 -1.22 -0.57 116.57 117.08 2dkd h LYS 416 Ca 0.09 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2dkd h LYS 416 Cb 0.83 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 2dkd h LYS 416 CO 0.07 0.17 -0.25 0.00 -0.57 0.00 0.00 179.45 178.87 2dkd h ALA 417 N 0.84 -0.32 -0.96 3.86 0.00 -1.38 0.79 119.26 122.09 2dkd h ALA 417 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2dkd h ALA 417 Cb 0.16 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2dkd h ALA 417 CO -0.00 -0.75 0.63 0.82 0.00 0.00 0.00 179.25 179.95 2dkd h ILE 418 N -0.38 1.12 -0.40 0.00 1.08 -1.10 -1.02 117.51 116.81 2dkd h ILE 418 Ca 0.07 -0.40 -0.12 0.00 -0.39 0.00 0.00 64.86 64.02 2dkd h ILE 418 Cb 0.47 -0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 2dkd h ILE 418 CO -0.24 0.21 -0.22 0.50 -0.69 0.00 0.00 178.15 177.72 2dkd h LYS 419 N 1.16 0.81 -0.46 2.37 3.64 -0.30 -0.26 116.57 123.53 2dkd h LYS 419 Ca 0.40 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2dkd h LYS 419 Cb 0.10 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2dkd h LYS 419 CO -0.14 0.95 0.10 0.28 -2.27 0.00 0.00 179.45 178.37 2dkd h VAL 420 N 0.70 1.24 -0.56 2.00 2.07 -0.14 -1.52 116.25 120.04 2dkd h VAL 420 Ca 0.10 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2dkd h VAL 420 Cb 0.74 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2dkd h VAL 420 CO 0.06 0.30 0.23 0.25 0.02 0.00 0.00 177.57 178.43 2dkd h LEU 421 N 0.61 0.77 -0.39 2.57 5.85 -0.97 0.89 115.31 124.64 2dkd h LEU 421 Ca 0.14 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2dkd h LEU 421 Cb 0.34 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2dkd h LEU 421 CO 0.00 0.72 0.22 1.56 -0.34 0.00 0.00 178.44 180.60 2dkd h GLN 422 N 0.76 0.43 -0.02 1.25 4.20 -0.85 -2.05 115.11 118.84 2dkd h GLN 422 Ca 0.19 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 2dkd h GLN 422 Cb 0.19 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2dkd h GLN 422 CO -0.02 0.29 -0.46 -0.91 -0.67 0.00 0.00 178.83 177.06 2dkd h ASN 423 N 0.44 0.05 -0.22 1.46 2.35 -0.91 -2.73 115.58 116.03 2dkd h ASN 423 Ca 0.16 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 2dkd h ASN 423 Cb 0.03 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2dkd h ASN 423 CO -0.09 0.51 -0.14 0.15 -1.65 0.00 0.00 177.43 176.21 2dkd h PHE 424 N 0.04 0.68 0.00 1.19 3.57 -0.34 -0.44 116.94 121.65 2dkd h PHE 424 Ca -0.00 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 2dkd h PHE 424 Cb 0.84 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 2dkd h PHE 424 CO 0.00 0.73 -0.03 0.66 -2.23 0.00 0.00 178.31 177.45 2dkd h SER 425 N 0.57 0.00 0.31 0.41 4.64 -1.06 -1.57 113.55 116.85 2dkd h SER 425 Ca 0.10 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.26 2dkd h SER 425 Cb 0.57 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 2dkd h SER 425 CO 0.04 0.03 -1.83 0.00 -0.87 0.00 0.00 176.83 174.19 2dkd n GLN 426 N -3.21 0.65 -0.05 4.77 1.13 -0.76 -4.46 117.38 115.45 2dkd n GLN 426 Ca -0.01 0.02 -0.11 0.00 -1.94 0.00 0.00 57.00 54.96 2dkd n GLN 426 Cb 0.22 -1.64 -0.10 0.00 0.11 0.00 0.00 30.24 28.83 2dkd n GLN 426 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2dkd h LEU 427 N 0.00 -0.02 -9.94 1.08 5.85 -0.73 -3.44 115.31 108.12 2dkd h LEU 427 Ca -0.20 -0.72 -0.53 0.00 0.84 0.00 0.00 57.88 57.27 2dkd h LEU 427 Cb 1.53 0.00 0.08 0.00 0.37 0.00 0.00 40.66 42.65 2dkd h LEU 427 CO 0.02 0.82 0.62 -0.51 -0.34 0.00 0.00 178.44 179.05 2dkd s ILE 428 N -2.30 2.63 -0.70 4.05 1.10 -0.62 -4.84 121.20 120.52 2dkd s ILE 428 Ca -0.15 0.58 -0.24 0.00 -0.51 0.00 0.00 60.65 60.33 2dkd s ILE 428 Cb -0.02 -3.34 0.05 0.00 0.15 0.00 0.00 42.46 39.30 2dkd s ILE 428 CO 0.53 0.09 1.11 0.21 -2.11 0.00 0.00 174.94 174.78 2dkd s ASN 429 N -0.70 6.18 0.25 4.50 3.84 -1.26 -4.88 114.94 122.86 2dkd s ASN 429 Ca 0.56 -0.77 0.23 0.00 0.21 0.00 0.00 52.86 53.09 2dkd s ASN 429 Cb -0.38 -2.48 0.96 0.00 -0.55 0.00 0.00 41.25 38.80 2dkd s ASN 429 CO 0.49 -1.61 1.70 0.00 -2.79 0.00 0.00 177.10 174.89 2dkd n GLN 430 N 8.45 0.19 0.13 0.43 6.02 -1.26 -3.28 117.38 128.05 2dkd n GLN 430 Ca -0.00 0.41 -0.21 0.00 -0.01 0.00 0.00 57.00 57.19 2dkd n GLN 430 Cb 0.47 -1.85 -0.15 0.00 1.02 0.00 0.00 30.24 29.73 2dkd n GLN 430 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2dkd h THR 431 N 0.00 1.37 -2.29 5.09 2.02 -1.90 -3.46 112.91 113.74 2dkd h THR 431 Ca 0.00 -2.83 0.12 0.00 0.77 0.00 0.00 66.41 64.46 2dkd h THR 431 Cb 0.37 2.97 -0.14 0.00 -1.74 0.00 0.00 68.15 69.61 2dkd h THR 431 CO 0.00 0.84 0.49 0.54 0.37 0.00 0.00 175.52 177.76 2dkd s VAL 432 N -2.66 0.00 0.13 3.16 0.11 -1.21 -4.69 120.40 115.25 2dkd s VAL 432 Ca -0.07 -0.07 -0.32 0.00 -2.93 0.00 0.00 61.98 58.59 2dkd s VAL 432 Cb 0.05 -1.11 -0.12 0.00 -1.53 0.00 0.00 36.38 33.67 2dkd s VAL 432 CO 0.92 0.00 1.77 0.61 -3.33 0.00 0.00 175.10 175.07 2dkd n GLY 433 N -0.27 1.52 2.81 6.54 0.00 -1.26 -4.67 105.19 109.86 2dkd n GLY 433 Ca -0.09 0.70 -0.27 0.00 0.00 0.00 0.00 46.02 46.36 2dkd n GLY 433 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dkd s ASP 434 N 2.14 2.78 0.21 1.61 -1.08 -1.26 -4.60 116.67 116.47 2dkd s ASP 434 Ca 0.81 -0.70 -0.10 0.00 -0.52 0.00 0.00 52.55 52.04 2dkd s ASP 434 Cb -0.54 -0.73 0.20 0.00 -1.46 0.00 0.00 42.92 40.38 2dkd s ASP 434 CO 0.38 -0.24 1.84 0.00 0.52 0.00 0.00 175.17 177.66 2dkd h ALA 435 N 8.19 0.92 -0.10 3.66 0.00 -1.57 0.25 119.26 130.60 2dkd h ALA 435 Ca -0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2dkd h ALA 435 Cb 1.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dkd h ALA 435 CO 0.35 0.20 0.02 0.82 0.00 0.00 0.00 179.25 180.64 2dkd h ILE 436 N 0.84 1.21 -0.59 0.00 2.04 -1.94 -0.18 117.51 118.89 2dkd h ILE 436 Ca 0.28 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2dkd h ILE 436 Cb 0.04 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2dkd h ILE 436 CO -0.12 0.19 0.28 -1.28 0.00 0.00 0.00 178.15 177.22 2dkd h SER 437 N -0.06 0.78 -0.80 1.72 0.87 -1.83 -2.08 113.55 112.14 2dkd h SER 437 Ca 0.03 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2dkd h SER 437 Cb 0.27 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2dkd h SER 437 CO 0.00 0.69 0.45 0.44 -0.53 0.00 0.00 176.83 177.88 2dkd h ASP 438 N 0.81 1.01 -0.37 6.23 3.32 -0.39 -1.00 116.42 126.03 2dkd h ASP 438 Ca 0.20 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 2dkd h ASP 438 Cb 0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2dkd h ASP 438 CO -0.03 0.81 -0.13 0.25 -1.72 0.00 0.00 179.24 178.42 2dkd h LEU 439 N 1.13 0.76 -0.85 1.55 5.85 -0.70 0.95 115.31 124.00 2dkd h LEU 439 Ca 0.29 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 2dkd h LEU 439 Cb 0.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2dkd h LEU 439 CO -0.05 0.97 0.14 -0.07 -0.34 0.00 0.00 178.44 179.09 2dkd h LEU 440 N 0.54 0.94 -0.30 2.25 3.38 -1.15 0.53 115.31 121.50 2dkd h LEU 440 Ca 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2dkd h LEU 440 Cb 0.66 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2dkd h LEU 440 CO 0.05 0.92 0.10 0.00 0.09 0.00 0.00 178.44 179.60 2dkd h ALA 441 N 1.20 0.39 -0.04 1.53 0.00 -0.99 0.61 119.26 121.96 2dkd h ALA 441 Ca 0.20 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2dkd h ALA 441 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2dkd h ALA 441 CO 0.00 0.02 -0.02 0.28 0.00 0.00 0.00 179.25 179.52 2dkd h VAL 442 N 0.33 0.92 -0.33 0.00 2.07 -0.50 0.49 116.25 119.23 2dkd h VAL 442 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 2dkd h VAL 442 Cb 0.23 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2dkd h VAL 442 CO -0.00 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.61 2dkd h LEU 443 N -0.02 0.07 -0.78 2.57 3.38 -0.64 -1.28 115.31 118.62 2dkd h LEU 443 Ca 0.03 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 2dkd h LEU 443 Cb 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2dkd h LEU 443 CO -0.06 0.08 -0.56 -0.29 0.09 0.00 0.00 178.44 177.70 2dkd h ILE 444 N 0.22 1.38 -0.05 1.22 6.09 -0.73 -2.47 117.51 123.17 2dkd h ILE 444 Ca 0.15 -1.89 -0.02 0.00 -1.37 0.00 0.00 64.86 61.73 2dkd h ILE 444 Cb 0.14 1.97 -0.00 0.00 0.47 0.00 0.00 36.82 39.40 2dkd h ILE 444 CO -0.17 0.55 -0.02 0.58 -3.07 0.00 0.00 178.15 176.02 2dkd h VAL 445 N 0.12 1.32 0.00 2.19 2.07 -0.42 0.79 116.25 122.32 2dkd h VAL 445 Ca -0.00 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 2dkd h VAL 445 Cb 1.02 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 2dkd h VAL 445 CO 0.08 0.28 -0.28 -0.37 0.02 0.00 0.00 177.57 177.30 2dkd h VAL 446 N -0.27 1.12 -0.23 2.57 -1.51 -1.29 0.19 116.25 116.82 2dkd h VAL 446 Ca 0.01 -0.97 -0.10 0.00 -1.23 0.00 0.00 66.70 64.41 2dkd h VAL 446 Cb 0.46 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2dkd h VAL 446 CO 0.01 0.27 -0.24 -0.74 -1.23 0.00 0.00 177.57 175.64 2dkd h HIS 447 N 0.00 0.70 -0.14 5.19 6.17 -1.28 0.26 115.15 126.04 2dkd h HIS 447 Ca -0.00 -0.21 -0.01 0.00 0.71 0.00 0.00 60.37 60.86 2dkd h HIS 447 Cb 0.51 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.29 2dkd h HIS 447 CO 0.00 0.91 0.06 -0.92 0.71 0.00 0.00 177.93 178.69 2dkd h TYR 448 N 0.28 0.21 0.00 5.26 3.20 -0.24 -2.62 116.97 123.06 2dkd h TYR 448 Ca 0.04 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2dkd h TYR 448 Cb 0.80 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.01 2dkd h TYR 448 CO 0.08 0.30 0.00 1.28 -1.64 0.00 0.00 178.16 178.17 2dkd n LEU 449 N -4.88 0.00 -3.58 2.82 4.77 -0.00 -4.92 117.00 111.20 2dkd n LEU 449 Ca -0.05 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.89 2dkd n LEU 449 Cb 0.12 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.10 2dkd n LEU 449 CO 0.35 -0.01 0.08 0.29 -1.33 0.00 0.00 177.39 176.77 2dkd n LYS 450 N -1.17 -6.28 -4.24 3.23 5.02 0.15 -4.99 118.16 109.88 2dkd n LYS 450 Ca 0.18 0.76 -0.34 0.00 -2.02 0.00 0.00 58.31 56.88 2dkd n LYS 450 Cb 0.18 -5.64 -0.08 0.00 -0.02 0.00 0.00 35.03 29.47 2dkd n LYS 450 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dkd s LEU 451 N -6.70 3.74 0.49 -0.35 1.43 0.69 -5.02 118.68 112.96 2dkd s LEU 451 Ca 0.16 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 2dkd s LEU 451 Cb -0.08 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2dkd s LEU 451 CO 0.76 0.35 0.74 -0.94 0.23 0.00 0.00 176.35 177.49 2dkd s SER 452 N -1.17 5.75 0.39 2.29 1.04 -1.26 -4.70 113.70 116.04 2dkd s SER 452 Ca 0.16 0.39 0.10 0.00 0.48 0.00 0.00 55.95 57.08 2dkd s SER 452 Cb -0.12 -1.56 0.87 0.00 0.10 0.00 0.00 66.02 65.32 2dkd s SER 452 CO 0.06 -0.81 1.94 -0.65 0.98 0.00 0.00 173.24 174.76 2dkd h PRO 453 N 0.23 0.59 -0.37 4.02 0.11 -1.98 -0.88 132.00 133.72 2dkd h PRO 453 Ca -0.46 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2dkd h PRO 453 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2dkd h PRO 453 CO 0.58 0.39 0.05 1.03 -0.21 0.00 0.00 178.00 179.84 2dkd h SER 454 N 0.61 0.60 -0.91 -2.05 0.87 -1.92 -1.46 113.55 109.28 2dkd h SER 454 Ca 0.34 -0.27 0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2dkd h SER 454 Cb 0.51 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 2dkd h SER 454 CO -0.12 0.71 0.59 0.44 -0.53 0.00 0.00 176.83 177.92 2dkd h ASP 455 N 0.46 0.96 -0.03 6.23 3.32 -1.55 -0.66 116.42 125.14 2dkd h ASP 455 Ca 0.11 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2dkd h ASP 455 Cb 0.37 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2dkd h ASP 455 CO 0.01 0.65 -0.00 -0.25 -1.72 0.00 0.00 179.24 177.92 2dkd h TRP 456 N 1.12 0.07 0.00 4.55 7.01 -1.21 -3.04 115.95 124.45 2dkd h TRP 456 Ca 0.37 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.35 2dkd h TRP 456 Cb 0.05 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.09 2dkd h TRP 456 CO -0.02 0.39 -0.01 0.22 -2.79 0.00 0.00 178.44 176.23 2dkd h ASP 457 N -0.27 0.00 0.43 2.65 3.58 -0.92 -2.14 116.42 119.76 2dkd h ASP 457 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2dkd h ASP 457 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2dkd h ASP 457 CO 0.00 0.01 0.00 -3.20 -2.88 0.00 0.00 179.24 173.17 2dkd n ASN 458 N -4.14 0.00 -0.12 2.28 5.15 -0.28 -3.73 115.26 114.42 2dkd n ASN 458 Ca -0.03 -0.23 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 2dkd n ASN 458 Cb 0.10 -0.24 0.27 0.00 -0.53 0.00 0.00 39.78 39.38 2dkd n ASN 458 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2dkd h GLU 459 N 0.00 0.79 -2.81 1.20 4.39 -1.45 -3.45 114.58 113.25 2dkd h GLU 459 Ca 0.00 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2dkd h GLU 459 Cb 0.22 -0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 28.57 2dkd h GLU 459 CO 0.00 0.61 0.17 1.52 -1.16 0.00 0.00 179.01 180.14 2dkd s TYR 460 N -5.47 -0.52 -0.21 4.33 -0.85 -1.24 -5.06 117.35 108.32 2dkd s TYR 460 Ca -0.10 0.47 -0.02 0.00 -0.52 0.00 0.00 57.07 56.91 2dkd s TYR 460 Cb 0.17 0.48 0.00 0.00 0.38 0.00 0.00 41.96 42.99 2dkd s TYR 460 CO 0.77 -0.77 -0.11 0.99 -1.52 0.00 0.00 175.55 174.92 2dkd s THR 461 N -3.10 2.82 0.58 -3.49 2.01 -1.26 -4.94 115.64 108.26 2dkd s THR 461 Ca -0.02 -0.70 -0.19 0.00 0.31 0.00 0.00 61.69 61.09 2dkd s THR 461 Cb -0.01 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 2dkd s THR 461 CO -0.07 0.46 1.00 0.47 -0.69 0.00 0.00 174.62 175.79 2dkd n ASP 462 N 4.72 0.98 -4.83 3.53 8.00 -1.26 -4.74 116.55 122.95 2dkd n ASP 462 Ca -0.19 0.84 -0.35 0.00 0.71 0.00 0.00 54.79 55.80 2dkd n ASP 462 Cb 0.50 -1.40 -0.06 0.00 -0.02 0.00 0.00 41.12 40.14 2dkd n ASP 462 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dkd s LEU 463 N -2.03 4.28 0.39 0.64 1.43 -1.26 -4.98 118.68 117.14 2dkd s LEU 463 Ca 0.74 1.33 -0.25 0.00 -1.03 0.00 0.00 54.13 54.92 2dkd s LEU 463 Cb -0.43 -3.64 -0.12 0.00 0.03 0.00 0.00 46.19 42.03 2dkd s LEU 463 CO 0.48 -0.01 0.97 -2.65 0.23 0.00 0.00 176.35 175.37 2dkd n PRO 464 N 0.49 1.29 -3.79 1.29 -0.02 -1.13 -4.79 135.00 128.35 2dkd n PRO 464 Ca -0.01 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 61.81 2dkd n PRO 464 Cb 0.52 -1.95 -0.08 0.00 -0.02 0.00 0.00 33.50 31.97 2dkd n PRO 464 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dkd s ASN 465 N -0.71 -0.07 -0.09 2.55 2.20 -1.26 -2.10 114.94 115.46 2dkd s ASN 465 Ca 0.62 -0.22 -0.04 0.00 -0.94 0.00 0.00 52.86 52.27 2dkd s ASN 465 Cb -0.60 0.32 0.04 0.00 -2.00 0.00 0.00 41.25 39.02 2dkd s ASN 465 CO 0.58 -0.57 0.20 -0.75 -2.94 0.00 0.00 177.10 173.62 2dkd s LYS 466 N -2.39 0.16 -0.16 3.55 2.20 -0.02 -4.99 119.74 118.09 2dkd s LYS 466 Ca -0.06 0.44 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 2dkd s LYS 466 Cb -0.02 -0.12 0.02 0.00 -1.51 0.00 0.00 37.83 36.20 2dkd s LYS 466 CO -0.03 -0.15 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.44 2dkd s LEU 467 N 1.11 2.10 0.15 5.43 2.96 -1.26 -1.54 118.68 127.63 2dkd s LEU 467 Ca -0.08 -0.62 0.04 0.00 -0.22 0.00 0.00 54.13 53.25 2dkd s LEU 467 Cb -0.10 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 2dkd s LEU 467 CO -0.07 0.04 -0.07 0.68 -1.32 0.00 0.00 176.35 175.61 2dkd s VAL 468 N 1.06 1.04 -0.09 1.68 -7.23 -0.64 -5.01 120.40 111.21 2dkd s VAL 468 Ca -0.01 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 2dkd s VAL 468 Cb -0.14 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 2dkd s VAL 468 CO -0.07 -0.69 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.11 2dkd s LYS 469 N -3.79 2.90 -0.12 4.82 2.20 -1.26 -0.59 119.74 123.90 2dkd s LYS 469 Ca 0.18 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 55.07 2dkd s LYS 469 Cb 0.04 -2.43 0.01 0.00 -1.51 0.00 0.00 37.83 33.94 2dkd s LYS 469 CO 0.01 0.38 -0.20 0.08 -0.36 0.00 0.00 175.35 175.27 2dkd s VAL 470 N -0.12 1.83 -0.10 4.02 1.01 0.28 -4.97 120.40 122.36 2dkd s VAL 470 Ca -0.03 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.85 2dkd s VAL 470 Cb -0.14 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2dkd s VAL 470 CO 0.04 0.51 0.83 -0.63 0.00 0.00 0.00 175.10 175.84 2dkd s ILE 471 N 0.80 4.93 0.05 2.22 -1.09 -1.26 -0.78 121.20 126.06 2dkd s ILE 471 Ca -0.09 1.67 0.05 0.00 -2.23 0.00 0.00 60.65 60.06 2dkd s ILE 471 Cb -0.16 -4.15 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 2dkd s ILE 471 CO -0.00 0.12 -0.15 0.68 -1.23 0.00 0.00 174.94 174.36 2dkd s VAL 472 N 1.49 1.17 0.24 2.92 -7.23 -1.26 -4.96 120.40 112.78 2dkd s VAL 472 Ca 0.41 -1.10 -0.05 0.00 -1.81 0.00 0.00 61.98 59.44 2dkd s VAL 472 Cb -0.18 -1.07 0.23 0.00 0.56 0.00 0.00 36.38 35.92 2dkd s VAL 472 CO 0.17 -0.03 1.70 1.55 -0.31 0.00 0.00 175.10 178.18 2dkd h PRO 473 N 4.76 0.31 -3.20 4.82 0.13 -1.97 -3.37 132.00 133.49 2dkd h PRO 473 Ca -0.39 -0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.20 2dkd h PRO 473 Cb 1.18 -0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.84 2dkd h PRO 473 CO 0.43 0.20 -0.76 0.34 -0.23 0.00 0.00 178.00 177.98 2dkd s ASP 474 N -5.26 3.17 0.00 1.44 2.15 -1.26 -4.98 116.67 111.93 2dkd s ASP 474 Ca -0.13 -1.06 0.30 0.00 0.43 0.00 0.00 52.55 52.09 2dkd s ASP 474 Cb 0.21 -0.49 1.38 0.00 -0.30 0.00 0.00 42.92 43.72 2dkd s ASP 474 CO 0.76 -0.38 1.95 -2.11 -0.17 0.00 0.00 175.17 175.22 2dkd n ARG 475 N 5.13 0.73 0.18 4.34 1.85 -1.26 -3.65 116.66 123.98 2dkd n ARG 475 Ca -0.06 -0.19 0.14 0.00 -1.00 0.00 0.00 57.85 56.74 2dkd n ARG 475 Cb 0.45 -1.50 0.55 0.00 -1.05 0.00 0.00 32.46 30.91 2dkd n ARG 475 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2dkd h SER 476 N 0.45 0.00 1.15 2.89 0.87 -1.95 -2.88 113.55 114.08 2dkd h SER 476 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dkd h SER 476 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2dkd h SER 476 CO 0.00 0.00 0.00 2.30 -0.53 0.00 0.00 176.83 178.60 2dkd n ILE 477 N -2.51 0.66 -2.85 2.23 -5.35 -1.24 -4.60 119.36 105.71 2dkd n ILE 477 Ca 0.02 -0.07 -0.43 0.00 -0.27 0.00 0.00 62.75 62.00 2dkd n ILE 477 Cb 0.26 -0.81 -0.04 0.00 -1.74 0.00 0.00 39.64 37.31 2dkd n ILE 477 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2dkd s PHE 478 N -3.17 2.71 -0.14 4.28 0.40 -1.09 -3.24 117.98 117.73 2dkd s PHE 478 Ca 0.08 -0.34 -0.03 0.00 -0.60 0.00 0.00 56.93 56.04 2dkd s PHE 478 Cb 0.11 -4.21 -0.03 0.00 0.51 0.00 0.00 43.02 39.41 2dkd s PHE 478 CO 0.51 -1.55 -0.02 0.15 0.70 0.00 0.00 175.22 175.01 2dkd s LYS 479 N 4.07 3.50 0.50 0.44 3.01 0.05 -4.62 119.74 126.68 2dkd s LYS 479 Ca 0.25 -0.48 0.03 0.00 -1.01 0.00 0.00 55.97 54.77 2dkd s LYS 479 Cb -0.15 -2.90 -0.02 0.00 -1.01 0.00 0.00 37.83 33.75 2dkd s LYS 479 CO 0.14 0.38 0.07 0.95 0.51 0.00 0.00 175.35 177.40 2dkd s THR 480 N 0.01 1.42 0.36 2.17 -4.23 -1.26 0.29 115.64 114.40 2dkd s THR 480 Ca 0.02 -1.91 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 2dkd s THR 480 Cb -0.13 -2.33 0.05 0.00 1.34 0.00 0.00 72.50 71.43 2dkd s THR 480 CO 0.02 0.00 0.78 0.28 -0.54 0.00 0.00 174.62 175.16 2dkd s THR 481 N -2.82 0.00 -1.14 3.99 -1.32 -0.04 -4.76 115.64 109.54 2dkd s THR 481 Ca 0.16 -0.99 -0.08 0.00 -1.21 0.00 0.00 61.69 59.57 2dkd s THR 481 Cb 0.02 -2.68 -0.03 0.00 -1.51 0.00 0.00 72.50 68.30 2dkd s THR 481 CO 0.09 0.00 0.86 -3.20 -2.21 0.00 0.00 174.62 170.15 2dkd n ASN 482 N -1.19 -4.58 -3.35 8.08 4.05 -1.26 -1.79 115.26 115.22 2dkd n ASN 482 Ca -0.07 -0.79 -0.23 0.00 0.45 0.00 0.00 54.58 53.93 2dkd n ASN 482 Cb 0.60 -4.52 0.06 0.00 1.23 0.00 0.00 39.78 37.14 2dkd n ASN 482 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2dkd n ALA 483 N -3.80 -1.17 -1.13 5.20 0.00 -1.26 -1.88 120.51 116.47 2dkd n ALA 483 Ca -0.15 0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.60 2dkd n ALA 483 Cb 0.63 -4.85 -0.02 0.00 0.00 0.00 0.00 19.45 15.21 2dkd n ALA 483 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dkd n GLU 484 N -4.60 -1.49 0.03 0.00 1.02 -0.98 -4.46 120.64 110.16 2dkd n GLU 484 Ca -0.04 0.59 0.12 0.00 -0.02 0.00 0.00 57.16 57.81 2dkd n GLU 484 Cb 0.59 -4.80 0.18 0.00 -0.02 0.00 0.00 31.44 27.38 2dkd n GLU 484 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dkd n ARG 485 N -0.53 0.17 -4.25 3.49 1.74 -0.79 -4.70 116.66 111.79 2dkd n ARG 485 Ca -0.05 0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 2dkd n ARG 485 Cb 0.44 -1.59 -0.16 0.00 -1.02 0.00 0.00 32.46 30.13 2dkd n ARG 485 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dkd s THR 486 N -3.10 1.77 -0.50 0.55 2.01 -0.74 -4.83 115.64 110.80 2dkd s THR 486 Ca 0.08 -0.78 -0.26 0.00 0.31 0.00 0.00 61.69 61.04 2dkd s THR 486 Cb 0.15 -1.62 0.03 0.00 0.01 0.00 0.00 72.50 71.08 2dkd s THR 486 CO 0.73 0.49 1.00 -0.22 -0.69 0.00 0.00 174.62 175.93 2dkd s LEU 487 N 1.22 3.89 0.05 4.42 2.96 -1.26 -0.86 118.68 129.09 2dkd s LEU 487 Ca 0.01 0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.86 2dkd s LEU 487 Cb -0.14 -3.19 -0.32 0.00 0.50 0.00 0.00 46.19 43.05 2dkd s LEU 487 CO -0.08 -1.18 1.06 0.58 -1.32 0.00 0.00 176.35 175.42 2dkd h VAL 488 N 6.11 1.31 -3.84 1.68 2.07 -0.46 -3.38 116.25 119.73 2dkd h VAL 488 Ca -0.24 -2.65 -0.26 0.00 0.82 0.00 0.00 66.70 64.37 2dkd h VAL 488 Cb 1.07 2.89 -0.27 0.00 -1.52 0.00 0.00 31.29 33.46 2dkd h VAL 488 CO 1.08 0.80 -0.73 -0.70 0.02 0.00 0.00 177.57 178.03 2dkd s GLU 489 N -2.77 0.24 0.71 1.57 2.12 -0.90 -4.15 118.70 115.52 2dkd s GLU 489 Ca -0.08 -0.21 -0.15 0.00 0.36 0.00 0.00 54.97 54.89 2dkd s GLU 489 Cb 0.05 -0.16 0.03 0.00 0.26 0.00 0.00 34.13 34.31 2dkd s GLU 489 CO 0.93 0.04 1.18 -1.25 -0.54 0.00 0.00 175.26 175.62 2dkd s PRO 490 N -0.36 2.33 0.30 4.30 0.04 -1.20 -0.77 135.00 139.63 2dkd s PRO 490 Ca -0.02 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 2dkd s PRO 490 Cb -0.03 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.54 2dkd s PRO 490 CO -0.00 -1.67 1.42 0.15 0.04 0.00 0.00 177.00 176.94 2dkd s LYS 491 N -3.95 4.25 0.00 4.56 -0.14 -1.26 -3.03 119.74 120.18 2dkd s LYS 491 Ca 0.72 2.35 0.00 0.00 -1.36 0.00 0.00 55.97 57.68 2dkd s LYS 491 Cb -0.27 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 32.82 2dkd s LYS 491 CO 0.44 -0.39 0.00 0.41 -0.76 0.00 0.00 175.35 175.05 2dkd n GLY 492 N 1.49 2.93 0.26 -3.33 0.00 -1.26 -4.87 105.19 100.40 2dkd n GLY 492 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2dkd n GLY 492 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2dkd h MET 493 N 1.58 0.86 -0.45 1.61 -1.53 -1.87 -2.74 114.93 112.39 2dkd h MET 493 Ca 0.00 -0.22 -0.03 0.00 -3.44 0.00 0.00 59.70 56.00 2dkd h MET 493 Cb 0.00 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 30.92 2dkd h MET 493 CO 0.00 0.83 0.14 0.37 0.14 0.00 0.00 176.91 178.40 2dkd h GLN 494 N 0.74 0.66 -0.89 0.39 5.75 -1.78 -1.25 115.11 118.73 2dkd h GLN 494 Ca 0.16 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2dkd h GLN 494 Cb 0.38 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 2dkd h GLN 494 CO 0.01 0.58 0.51 -0.44 -2.65 0.00 0.00 178.83 176.84 2dkd h ASP 495 N 0.65 1.09 0.16 -0.69 3.45 -1.85 -1.04 116.42 118.20 2dkd h ASP 495 Ca 0.15 -0.08 -0.21 0.00 0.43 0.00 0.00 57.03 57.32 2dkd h ASP 495 Cb 0.19 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 2dkd h ASP 495 CO -0.01 0.86 -0.80 -0.08 -1.57 0.00 0.00 179.24 177.64 2dkd h GLU 496 N 1.24 0.51 -0.36 3.56 4.57 -1.15 -2.55 114.58 120.39 2dkd h GLU 496 Ca 0.32 -0.45 0.01 0.00 -1.18 0.00 0.00 59.36 58.06 2dkd h GLU 496 Cb -0.01 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2dkd h GLU 496 CO -0.06 1.08 0.23 0.82 -1.18 0.00 0.00 179.01 179.91 2dkd h ILE 497 N 0.34 1.08 -0.72 2.32 2.04 -0.95 -0.17 117.51 121.44 2dkd h ILE 497 Ca -0.05 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.72 2dkd h ILE 497 Cb 1.40 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 2dkd h ILE 497 CO 0.14 0.09 0.41 0.44 0.00 0.00 0.00 178.15 179.23 2dkd h ASP 498 N 0.48 0.59 -0.06 1.72 3.45 -1.14 0.13 116.42 121.59 2dkd h ASP 498 Ca 0.13 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.63 2dkd h ASP 498 Cb -0.04 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 38.64 2dkd h ASP 498 CO -0.04 0.37 0.04 0.11 -1.57 0.00 0.00 179.24 178.15 2dkd h LYS 499 N 0.72 0.08 -0.35 3.56 1.57 -0.94 -1.11 116.57 120.11 2dkd h LYS 499 Ca 0.33 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2dkd h LYS 499 Cb 0.24 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2dkd h LYS 499 CO -0.21 0.08 0.21 -0.07 -0.57 0.00 0.00 179.45 178.89 2dkd h LEU 500 N 0.06 0.43 -0.69 2.94 3.38 -0.40 -2.94 115.31 118.08 2dkd h LEU 500 Ca 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2dkd h LEU 500 Cb 0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2dkd h LEU 500 CO -0.00 0.36 0.38 0.58 0.09 0.00 0.00 178.44 179.85 2dkd h VAL 501 N 0.46 1.21 0.00 1.22 2.07 -0.63 -2.62 116.25 117.96 2dkd h VAL 501 Ca 0.13 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2dkd h VAL 501 Cb 0.02 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2dkd h VAL 501 CO -0.02 0.24 0.11 0.00 0.02 0.00 0.00 177.57 177.91 2dkd h ALA 502 N 1.19 1.08 0.00 1.67 0.00 -1.02 -1.50 119.26 120.69 2dkd h ALA 502 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dkd h ALA 502 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2dkd h ALA 502 CO -0.04 -0.08 0.00 1.96 0.00 0.00 0.00 179.25 181.09 2dkd h GLN 503 N 0.00 0.00 -5.89 0.00 1.08 -1.48 -3.45 115.11 105.38 2dkd h GLN 503 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 2dkd h GLN 503 Cb 0.22 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 27.36 2dkd h GLN 503 CO 0.00 0.00 -0.84 0.71 -0.95 0.00 0.00 178.83 177.75 2dkd s TYR 504 N -3.39 1.73 0.28 2.96 1.51 -0.56 -5.09 117.35 114.79 2dkd s TYR 504 Ca 0.05 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.48 2dkd s TYR 504 Cb 0.09 -1.10 -0.10 0.00 -0.11 0.00 0.00 41.96 40.73 2dkd s TYR 504 CO 0.54 -0.01 1.40 -2.14 -1.11 0.00 0.00 175.55 174.23 2dkd s PRO 505 N -0.55 4.29 0.00 -1.71 0.02 -1.26 -1.46 135.00 134.33 2dkd s PRO 505 Ca 0.07 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2dkd s PRO 505 Cb -0.08 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2dkd s PRO 505 CO -0.00 -0.35 0.00 0.09 -0.33 0.00 0.00 177.00 176.40 2dkd n ASN 506 N 1.81 -2.72 -4.76 2.53 4.13 -1.26 -1.69 115.26 113.31 2dkd n ASN 506 Ca 0.05 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.89 2dkd n ASN 506 Cb 0.41 -1.64 -0.01 0.00 -1.54 0.00 0.00 39.78 37.00 2dkd n ASN 506 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dkd n GLY 507 N -1.45 1.26 3.64 7.41 0.00 -0.54 -4.18 105.19 111.34 2dkd n GLY 507 Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 46.02 46.35 2dkd n GLY 507 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dkd s ARG 508 N -1.30 0.66 -0.10 1.61 3.52 -0.39 -4.89 118.95 118.06 2dkd s ARG 508 Ca 0.59 1.17 -0.14 0.00 -0.13 0.00 0.00 55.73 57.22 2dkd s ARG 508 Cb -0.49 0.16 0.03 0.00 -1.56 0.00 0.00 34.95 33.10 2dkd s ARG 508 CO 0.56 -0.14 0.35 0.45 -0.81 0.00 0.00 175.30 175.71 2dkd s SER 509 N 1.66 -0.33 0.03 -2.12 0.15 -1.26 -0.69 113.70 111.14 2dkd s SER 509 Ca -0.10 0.55 -0.07 0.00 0.70 0.00 0.00 55.95 57.03 2dkd s SER 509 Cb -0.05 0.62 -0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2dkd s SER 509 CO -0.19 -0.23 0.14 0.72 1.20 0.00 0.00 173.24 174.88 2dkd s PHE 510 N -0.26 0.12 -0.03 3.44 -0.12 -0.79 -4.98 117.98 115.36 2dkd s PHE 510 Ca -0.04 -0.35 0.06 0.00 -0.05 0.00 0.00 56.93 56.55 2dkd s PHE 510 Cb -0.03 -0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.26 2dkd s PHE 510 CO 0.02 -0.37 -0.21 0.08 -0.05 0.00 0.00 175.22 174.69 2dkd s VAL 511 N -2.33 1.70 -0.15 -2.49 1.01 -1.26 -2.03 120.40 114.84 2dkd s VAL 511 Ca -0.07 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 2dkd s VAL 511 Cb -0.03 -1.42 0.07 0.00 0.00 0.00 0.00 36.38 35.00 2dkd s VAL 511 CO -0.03 0.48 0.69 0.00 0.00 0.00 0.00 175.10 176.24 2dkd s ARG 512 N -0.30 0.95 0.42 2.72 1.70 -0.99 -4.76 118.95 118.68 2dkd s ARG 512 Ca 0.03 0.59 -0.23 0.00 -0.47 0.00 0.00 55.73 55.65 2dkd s ARG 512 Cb -0.10 0.45 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 2dkd s ARG 512 CO 0.01 -0.22 1.06 0.00 -1.08 0.00 0.00 175.30 175.07 2dkd s ALA 513 N -0.47 3.04 0.56 7.88 0.00 -1.26 0.08 121.76 131.59 2dkd s ALA 513 Ca -0.06 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 52.46 2dkd s ALA 513 Cb -0.02 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 2dkd s ALA 513 CO 0.06 -0.29 1.03 0.45 0.00 0.00 0.00 175.76 177.01 2dkd s SER 514 N -1.60 6.16 0.00 0.00 0.15 0.62 -4.81 113.70 114.22 2dkd s SER 514 Ca 0.60 1.69 0.09 0.00 0.70 0.00 0.00 55.95 59.02 2dkd s SER 514 Cb -0.22 -2.52 0.16 0.00 -1.71 0.00 0.00 66.02 61.73 2dkd s SER 514 CO 0.27 -0.91 1.00 0.61 1.20 0.00 0.00 173.24 175.41 2dkd n GLY 515 N -1.34 1.19 0.00 9.45 0.00 -1.26 -4.52 105.19 108.72 2dkd n GLY 515 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2dkd n GLY 515 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dkd n THR 516 N 0.39 0.00 -3.62 2.61 -2.24 -1.26 -4.55 114.28 105.61 2dkd n THR 516 Ca 0.07 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 2dkd n THR 516 Cb 0.31 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 2dkd n THR 516 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2dkd s GLU 517 N -0.31 0.56 -0.76 -0.78 -1.05 -1.26 -5.09 118.70 110.01 2dkd s GLU 517 Ca 0.00 0.53 -0.26 0.00 -0.15 0.00 0.00 54.97 55.09 2dkd s GLU 517 Cb 0.00 0.27 -0.13 0.00 -0.44 0.00 0.00 34.13 33.84 2dkd s GLU 517 CO 0.00 -0.10 2.39 0.34 0.95 0.00 0.00 175.26 178.85 2dkd s ASP 518 N -0.06 4.00 -0.18 0.83 -1.08 -1.26 -4.40 116.67 114.52 2dkd s ASP 518 Ca 0.02 0.15 -0.35 0.00 -0.52 0.00 0.00 52.55 51.84 2dkd s ASP 518 Cb -0.04 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 39.03 2dkd s ASP 518 CO -0.04 -3.72 1.39 0.00 0.52 0.00 0.00 175.17 173.33 2dkd s ALA 519 N 14.31 -2.34 -0.10 3.66 0.00 -1.26 -4.75 121.76 131.28 2dkd s ALA 519 Ca 0.92 1.40 0.00 0.00 0.00 0.00 0.00 51.96 54.28 2dkd s ALA 519 Cb -0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2dkd s ALA 519 CO 0.10 -0.81 -0.10 0.08 0.00 0.00 0.00 175.76 175.03 2dkd s VAL 520 N -2.08 3.39 -0.10 0.00 1.01 0.04 -0.27 120.40 122.38 2dkd s VAL 520 Ca 0.13 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 2dkd s VAL 520 Cb 0.03 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2dkd s VAL 520 CO -0.04 0.55 0.23 -0.13 0.00 0.00 0.00 175.10 175.71 2dkd s ARG 521 N -0.21 3.75 -0.22 2.72 0.52 0.11 -0.55 118.95 125.07 2dkd s ARG 521 Ca 0.02 0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.29 2dkd s ARG 521 Cb -0.13 -3.25 0.04 0.00 0.52 0.00 0.00 34.95 32.13 2dkd s ARG 521 CO 0.03 0.64 -0.12 0.08 0.02 0.00 0.00 175.30 175.94 2dkd s VAL 522 N -0.71 1.88 -0.05 3.52 1.01 0.25 -2.36 120.40 123.94 2dkd s VAL 522 Ca 0.17 -1.21 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 2dkd s VAL 522 Cb -0.13 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2dkd s VAL 522 CO 0.06 0.16 -0.02 -0.47 0.00 0.00 0.00 175.10 174.83 2dkd s TYR 523 N 1.28 3.07 -0.01 5.22 5.04 -0.86 -1.62 117.35 129.47 2dkd s TYR 523 Ca -0.03 0.11 -0.12 0.00 -2.44 0.00 0.00 57.07 54.59 2dkd s TYR 523 Cb -0.17 -1.73 0.02 0.00 0.35 0.00 0.00 41.96 40.43 2dkd s TYR 523 CO -0.08 0.43 0.25 0.00 -1.34 0.00 0.00 175.55 174.81 2dkd s ALA 524 N -0.93 -0.63 -0.01 3.97 0.00 -0.59 -1.88 121.76 121.69 2dkd s ALA 524 Ca 0.15 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 2dkd s ALA 524 Cb -0.11 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.11 2dkd s ALA 524 CO 0.04 -0.24 0.27 -1.83 0.00 0.00 0.00 175.76 174.01 2dkd s GLU 525 N -1.33 0.62 0.38 0.00 -1.05 0.14 -0.84 118.70 116.61 2dkd s GLU 525 Ca -0.14 -0.21 -0.12 0.00 -0.15 0.00 0.00 54.97 54.35 2dkd s GLU 525 Cb -0.06 0.27 0.04 0.00 -0.44 0.00 0.00 34.13 33.94 2dkd s GLU 525 CO 0.03 -0.16 0.71 0.00 0.95 0.00 0.00 175.26 176.79 2dkd s ALA 526 N -1.28 -0.32 0.21 -0.84 0.00 -0.89 -1.26 121.76 117.36 2dkd s ALA 526 Ca -0.13 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 2dkd s ALA 526 Cb -0.06 0.80 0.16 0.00 0.00 0.00 0.00 23.12 24.02 2dkd s ALA 526 CO 0.04 -0.93 1.62 0.38 0.00 0.00 0.00 175.76 176.86 2dkd h ASP 527 N 2.02 0.82 -2.51 0.00 2.03 -1.58 -2.98 116.42 114.22 2dkd h ASP 527 Ca -0.31 -0.30 -0.55 0.00 -0.73 0.00 0.00 57.03 55.14 2dkd h ASP 527 Cb 1.25 -0.22 -0.14 0.00 -0.83 0.00 0.00 39.33 39.38 2dkd h ASP 527 CO 0.40 1.02 -0.71 0.42 -1.03 0.00 0.00 179.24 179.34 2dkd s THR 528 N -4.61 2.06 0.20 1.15 -4.23 -1.26 -4.54 115.64 104.40 2dkd s THR 528 Ca -0.10 -2.24 -0.07 0.00 -1.18 0.00 0.00 61.69 58.10 2dkd s THR 528 Cb 0.13 -2.39 0.07 0.00 1.34 0.00 0.00 72.50 71.65 2dkd s THR 528 CO 0.84 -0.35 1.66 -0.61 -0.54 0.00 0.00 174.62 175.61 2dkd h GLN 529 N 2.26 0.99 -0.13 3.99 5.75 -1.93 -1.73 115.11 124.30 2dkd h GLN 529 Ca -0.40 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 57.78 2dkd h GLN 529 Cb 1.24 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 2dkd h GLN 529 CO 0.65 1.00 0.08 -0.91 -2.65 0.00 0.00 178.83 176.99 2dkd h ASN 530 N 0.90 0.16 -0.62 -0.69 2.35 -1.99 -1.77 115.58 113.93 2dkd h ASN 530 Ca 0.16 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2dkd h ASN 530 Cb 0.57 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 2dkd h ASN 530 CO 0.03 0.19 0.39 0.78 -1.65 0.00 0.00 177.43 177.17 2dkd h ASN 531 N 0.13 0.72 0.50 5.81 2.35 -1.95 -1.97 115.58 121.18 2dkd h ASN 531 Ca 0.05 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2dkd h ASN 531 Cb 0.06 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2dkd h ASN 531 CO -0.01 0.55 -0.30 1.62 -1.65 0.00 0.00 177.43 177.64 2dkd h VAL 532 N 0.83 0.97 0.10 2.81 3.04 -1.22 -0.60 116.25 122.18 2dkd h VAL 532 Ca 0.22 -1.13 -0.00 0.00 -1.01 0.00 0.00 66.70 64.77 2dkd h VAL 532 Cb -0.06 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2dkd h VAL 532 CO -0.04 0.30 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.43 2dkd h GLU 533 N 0.00 -0.13 -0.19 4.17 4.39 -0.60 -1.08 114.58 121.13 2dkd h GLU 533 Ca -0.00 0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2dkd h GLU 533 Cb 0.63 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2dkd h GLU 533 CO 0.04 0.06 -0.51 1.05 -1.16 0.00 0.00 179.01 178.49 2dkd h GLU 534 N -0.30 0.54 -0.60 2.33 4.11 -1.14 -2.21 114.58 117.31 2dkd h GLU 534 Ca -0.01 -0.32 -0.06 0.00 0.07 0.00 0.00 59.36 59.03 2dkd h GLU 534 Cb 0.25 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2dkd h GLU 534 CO 0.02 0.92 0.12 1.25 0.07 0.00 0.00 179.01 181.39 2dkd h LEU 535 N 0.42 0.93 -0.40 3.06 5.85 -1.10 0.33 115.31 124.40 2dkd h LEU 535 Ca 0.02 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 2dkd h LEU 535 Cb 1.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2dkd h LEU 535 CO 0.10 0.94 0.24 -1.28 -0.34 0.00 0.00 178.44 178.09 2dkd h SER 536 N 0.88 0.49 -0.24 1.25 0.87 -1.10 -1.22 113.55 114.48 2dkd h SER 536 Ca 0.18 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2dkd h SER 536 Cb 0.39 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2dkd h SER 536 CO 0.01 0.41 0.08 0.11 -0.53 0.00 0.00 176.83 176.90 2dkd h LYS 537 N 0.53 0.37 0.04 2.24 1.57 -1.16 -0.76 116.57 119.40 2dkd h LYS 537 Ca 0.14 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2dkd h LYS 537 Cb 0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2dkd h LYS 537 CO -0.03 0.45 -0.03 0.00 -0.57 0.00 0.00 179.45 179.27 2dkd h ALA 538 N 0.91 -0.06 -0.17 3.86 0.00 -0.76 0.27 119.26 123.31 2dkd h ALA 538 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2dkd h ALA 538 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2dkd h ALA 538 CO -0.00 -0.54 -0.23 0.28 0.00 0.00 0.00 179.25 178.76 2dkd h VAL 539 N -0.07 1.24 -0.16 0.00 2.07 -1.22 -2.29 116.25 115.82 2dkd h VAL 539 Ca -0.00 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 66.32 2dkd h VAL 539 Cb 0.06 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2dkd h VAL 539 CO -0.00 0.34 -0.33 0.28 0.02 0.00 0.00 177.57 177.88 2dkd h SER 540 N 0.27 0.32 -0.58 0.57 0.02 -0.67 -2.88 113.55 110.61 2dkd h SER 540 Ca 0.05 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 2dkd h SER 540 Cb 0.56 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2dkd h SER 540 CO 0.04 0.64 0.10 -0.33 -1.14 0.00 0.00 176.83 176.13 2dkd h GLU 541 N 0.28 0.96 -0.45 3.45 4.39 -0.39 -2.05 114.58 120.77 2dkd h GLU 541 Ca 0.04 -0.26 0.08 0.00 0.34 0.00 0.00 59.36 59.56 2dkd h GLU 541 Cb 0.71 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.18 2dkd h GLU 541 CO 0.05 0.91 0.01 -0.07 -1.16 0.00 0.00 179.01 178.76 2dkd h LEU 542 N 0.86 -0.16 -0.65 1.33 3.38 -1.26 -2.61 115.31 116.21 2dkd h LEU 542 Ca 0.18 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 2dkd h LEU 542 Cb 0.41 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2dkd h LEU 542 CO 0.01 -0.05 -0.40 0.58 0.09 0.00 0.00 178.44 178.67 2dkd h VAL 543 N 0.12 0.83 0.00 1.22 2.07 -1.47 -3.52 116.25 115.50 2dkd h VAL 543 Ca 0.22 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2dkd h VAL 543 Cb 0.32 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2dkd h VAL 543 CO -0.36 0.39 0.00 1.17 0.02 0.00 0.00 177.57 178.79