#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krt s LEU 3 N 0.00 4.28 0.58 1.04 0.20 -1.26 -5.01 118.68 118.51 3krt s LEU 3 Ca 0.00 2.05 -0.03 0.00 0.69 0.00 0.00 54.13 56.84 3krt s LEU 3 Cb 0.00 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 42.24 3krt s LEU 3 CO 0.00 -0.82 0.85 0.42 -0.29 0.00 0.00 176.35 176.50 3krt s THR 4 N 3.41 3.10 0.42 3.68 -4.23 -1.26 -3.96 115.64 116.80 3krt s THR 4 Ca 0.65 -0.36 0.12 0.00 -1.18 0.00 0.00 61.69 60.93 3krt s THR 4 Cb -0.30 -3.22 0.17 0.00 1.34 0.00 0.00 72.50 70.50 3krt s THR 4 CO 0.24 -0.19 1.95 0.58 -0.54 0.00 0.00 174.62 176.67 3krt h VAL 5 N -0.09 1.15 -0.70 2.29 2.07 -1.95 -2.35 116.25 116.68 3krt h VAL 5 Ca -0.44 -0.70 0.10 0.00 0.82 0.00 0.00 66.70 66.48 3krt h VAL 5 Cb 1.28 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 32.25 3krt h VAL 5 CO 0.57 0.21 0.32 0.50 0.02 0.00 0.00 177.57 179.19 3krt h LYS 6 N 0.11 0.51 -0.63 1.57 1.63 -1.99 -0.45 116.57 117.32 3krt h LYS 6 Ca 0.02 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 3krt h LYS 6 Cb 0.35 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 3krt h LYS 6 CO 0.02 0.34 0.33 -0.44 -3.45 0.00 0.00 179.45 176.25 3krt h ASP 7 N 0.53 0.79 -0.21 4.20 3.32 -1.81 0.03 116.42 123.26 3krt h ASP 7 Ca 0.35 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 3krt h ASP 7 Cb 0.43 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3krt h ASP 7 CO -0.30 0.65 -0.03 0.40 -1.72 0.00 0.00 179.24 178.24 3krt h ILE 8 N 0.88 1.27 -0.03 0.35 2.04 -1.29 -2.21 117.51 118.52 3krt h ILE 8 Ca 0.22 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 65.16 3krt h ILE 8 Cb 0.05 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 3krt h ILE 8 CO -0.03 0.29 -0.26 0.25 0.00 0.00 0.00 178.15 178.40 3krt h LEU 9 N 0.13 -0.77 -0.81 1.44 6.46 -0.75 0.12 115.31 121.14 3krt h LEU 9 Ca 0.06 0.11 0.19 0.00 -0.12 0.00 0.00 57.88 58.12 3krt h LEU 9 Cb 0.45 0.32 -0.14 0.00 -0.73 0.00 0.00 40.66 40.56 3krt h LEU 9 CO 0.02 -0.32 0.02 0.44 -0.62 0.00 0.00 178.44 177.98 3krt h ASP 10 N -0.38 -0.35 1.44 1.25 3.32 -0.95 0.12 116.42 120.88 3krt h ASP 10 Ca 0.07 0.21 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 3krt h ASP 10 Cb 0.48 0.37 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3krt h ASP 10 CO -0.25 -0.21 -0.53 0.00 -1.72 0.00 0.00 179.24 176.54 3krt h ALA 11 N 1.76 0.67 -0.16 3.45 0.00 -0.89 -1.83 119.26 122.26 3krt h ALA 11 Ca 0.45 -0.48 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 3krt h ALA 11 Cb 0.83 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3krt h ALA 11 CO -0.71 0.66 -0.77 0.82 0.00 0.00 0.00 179.25 179.25 3krt h ILE 12 N 0.00 1.28 0.00 0.00 2.04 0.88 -3.37 117.51 118.33 3krt h ILE 12 Ca -0.01 -1.96 -0.13 0.00 1.00 0.00 0.00 64.86 63.76 3krt h ILE 12 Cb 1.39 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 3krt h ILE 12 CO 0.07 0.62 -1.15 1.56 0.00 0.00 0.00 178.15 179.25 3krt h GLN 13 N 0.55 0.00 -6.84 2.37 4.20 -0.79 -3.46 115.11 111.13 3krt h GLN 13 Ca -0.05 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.11 3krt h GLN 13 Cb 1.40 0.00 0.11 0.00 0.30 0.00 0.00 27.48 29.29 3krt h GLN 13 CO 0.16 0.30 0.66 -1.13 -0.67 0.00 0.00 178.83 178.15 3krt n SER 14 N -2.94 3.33 0.08 1.46 3.41 -0.69 -4.95 113.62 113.31 3krt n SER 14 Ca -0.06 1.21 -0.03 0.00 -0.26 0.00 0.00 58.87 59.74 3krt n SER 14 Cb 0.78 -1.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.16 3krt n SER 14 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3krt h PRO 15 N 2.87 -0.20 -2.60 4.33 0.11 -1.92 -3.22 132.00 131.38 3krt h PRO 15 Ca -0.48 0.01 -0.75 0.00 0.11 0.00 0.00 66.00 64.89 3krt h PRO 15 Cb 1.26 0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.28 3krt h PRO 15 CO 0.64 -0.13 2.28 -0.40 -0.21 0.00 0.00 178.00 180.18 3krt n ASP 16 N -2.55 7.93 -4.77 -2.05 5.68 -1.26 -4.88 116.55 114.64 3krt n ASP 16 Ca -0.03 -3.20 -0.37 0.00 -0.50 0.00 0.00 54.79 50.70 3krt n ASP 16 Cb 0.08 -1.34 -0.07 0.00 -1.14 0.00 0.00 41.12 38.65 3krt n ASP 16 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3krt s SER 17 N 0.21 6.48 0.40 -1.12 0.15 -1.22 -5.11 113.70 113.49 3krt s SER 17 Ca 0.52 0.56 0.08 0.00 0.70 0.00 0.00 55.95 57.81 3krt s SER 17 Cb 0.18 -2.17 -0.02 0.00 -1.71 0.00 0.00 66.02 62.30 3krt s SER 17 CO -0.10 0.19 0.36 0.42 1.20 0.00 0.00 173.24 175.32 3krt s THR 18 N -0.04 2.80 0.53 6.45 -4.23 -1.26 -5.00 115.64 114.89 3krt s THR 18 Ca 0.17 -1.35 0.37 0.00 -1.18 0.00 0.00 61.69 59.69 3krt s THR 18 Cb -0.13 -3.03 0.57 0.00 1.34 0.00 0.00 72.50 71.24 3krt s THR 18 CO 0.05 -0.03 1.77 -0.65 -0.54 0.00 0.00 174.62 175.22 3krt h PRO 19 N 1.07 0.03 -0.60 3.99 0.10 -1.89 -1.94 132.00 132.76 3krt h PRO 19 Ca -0.42 -0.00 -0.08 0.00 0.10 0.00 0.00 66.00 65.60 3krt h PRO 19 Cb 1.26 -0.01 -0.02 0.00 0.10 0.00 0.00 31.00 32.33 3krt h PRO 19 CO 0.58 0.02 0.07 0.00 0.10 0.00 0.00 178.00 178.76 3krt h ALA 20 N 1.38 0.80 -0.02 -0.75 0.00 -1.94 -2.73 119.26 115.99 3krt h ALA 20 Ca 0.62 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 3krt h ALA 20 Cb 2.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.97 3krt h ALA 20 CO -0.04 0.58 -0.64 -0.44 0.00 0.00 0.00 179.25 178.70 3krt h ASP 21 N 0.91 0.10 -0.08 0.00 3.32 -1.74 -2.66 116.42 116.26 3krt h ASP 21 Ca 0.18 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 3krt h ASP 21 Cb 0.47 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.00 3krt h ASP 21 CO 0.02 0.71 -0.70 0.40 -1.72 0.00 0.00 179.24 177.95 3krt h ILE 22 N 0.06 1.33 -0.75 0.35 1.08 -1.52 -3.08 117.51 114.99 3krt h ILE 22 Ca -0.01 -1.99 0.01 0.00 -0.39 0.00 0.00 64.86 62.48 3krt h ILE 22 Cb 1.15 2.23 -0.04 0.00 -3.07 0.00 0.00 36.82 37.09 3krt h ILE 22 CO 0.09 0.61 0.49 0.00 -0.69 0.00 0.00 178.15 178.65 3krt h ALA 23 N 0.46 1.46 0.00 1.87 0.00 -1.48 -2.81 119.26 118.76 3krt h ALA 23 Ca -0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3krt h ALA 23 Cb 1.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3krt h ALA 23 CO 0.14 0.50 -0.58 0.00 0.00 0.00 0.00 179.25 179.31 3krt h ALA 24 N 1.53 0.92 -2.44 0.00 0.00 -1.50 -3.45 119.26 114.31 3krt h ALA 24 Ca 0.27 -0.53 -0.57 0.00 0.00 0.00 0.00 54.91 54.09 3krt h ALA 24 Cb -0.11 -0.09 0.08 0.00 0.00 0.00 0.00 17.79 17.67 3krt h ALA 24 CO -0.06 0.72 0.68 1.28 0.00 0.00 0.00 179.25 181.87 3krt n LEU 25 N -3.67 3.43 -4.85 0.00 4.32 -1.06 -5.00 117.00 110.16 3krt n LEU 25 Ca -0.01 1.15 -0.31 0.00 -0.02 0.00 0.00 56.01 56.82 3krt n LEU 25 Cb 0.62 -1.47 0.02 0.00 -1.62 0.00 0.00 43.42 40.96 3krt n LEU 25 CO 0.41 -0.33 0.71 -2.16 -1.22 0.00 0.00 177.39 174.80 3krt s PRO 26 N -0.49 3.46 0.26 3.23 0.04 -1.26 -5.02 135.00 135.22 3krt s PRO 26 Ca 0.67 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 3krt s PRO 26 Cb -0.61 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.78 3krt s PRO 26 CO 0.50 -0.68 1.29 -0.51 0.04 0.00 0.00 177.00 177.64 3krt s LEU 27 N -5.11 4.44 0.90 -3.56 1.43 -1.26 -4.87 118.68 110.65 3krt s LEU 27 Ca 0.57 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 56.05 3krt s LEU 27 Cb -0.12 -3.63 0.13 0.00 0.03 0.00 0.00 46.19 42.61 3krt s LEU 27 CO 0.51 -0.49 1.09 -2.16 0.23 0.00 0.00 176.35 175.53 3krt s PRO 28 N -0.89 1.21 -0.02 1.29 0.04 -1.25 -4.68 135.00 130.69 3krt s PRO 28 Ca 0.53 0.81 0.17 0.00 0.04 0.00 0.00 61.00 62.54 3krt s PRO 28 Cb -0.37 -1.80 -0.25 0.00 0.04 0.00 0.00 34.50 32.11 3krt s PRO 28 CO 0.44 -2.27 0.42 0.39 0.04 0.00 0.00 177.00 176.02 3krt n GLU 29 N -3.90 0.67 -3.87 4.56 1.02 -1.26 -4.70 120.64 113.17 3krt n GLU 29 Ca 0.07 -0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 56.99 3krt n GLU 29 Cb 0.55 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 30.52 3krt n GLU 29 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3krt s SER 30 N -3.74 0.03 0.10 1.62 1.04 -1.26 -2.65 113.70 108.84 3krt s SER 30 Ca -0.04 -0.69 -0.14 0.00 0.48 0.00 0.00 55.95 55.56 3krt s SER 30 Cb 0.11 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.66 3krt s SER 30 CO 0.70 -0.82 0.33 -0.72 0.98 0.00 0.00 173.24 173.71 3krt s TYR 31 N -3.90 -0.10 0.09 5.02 -0.85 0.60 -4.74 117.35 113.48 3krt s TYR 31 Ca 0.10 -0.21 -0.29 0.00 -0.52 0.00 0.00 57.07 56.15 3krt s TYR 31 Cb 0.04 0.15 -0.06 0.00 0.38 0.00 0.00 41.96 42.47 3krt s TYR 31 CO -0.07 -0.62 0.92 1.03 -1.52 0.00 0.00 175.55 175.30 3krt s ARG 32 N -3.56 4.65 -0.10 -3.49 0.52 -1.26 -0.16 118.95 115.56 3krt s ARG 32 Ca 0.02 1.37 -0.08 0.00 -0.52 0.00 0.00 55.73 56.52 3krt s ARG 32 Cb 0.02 -3.38 0.03 0.00 0.52 0.00 0.00 34.95 32.14 3krt s ARG 32 CO -0.10 0.21 0.26 0.00 0.02 0.00 0.00 175.30 175.70 3krt s ALA 33 N 0.05 -0.65 0.03 2.13 0.00 -0.37 -0.80 121.76 122.15 3krt s ALA 33 Ca 0.46 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 3krt s ALA 33 Cb -0.23 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 3krt s ALA 33 CO 0.28 -0.14 0.98 0.42 0.00 0.00 0.00 175.76 177.30 3krt s ILE 34 N 0.40 4.74 0.03 0.00 -1.09 0.11 -1.08 121.20 124.31 3krt s ILE 34 Ca -0.02 2.04 -0.02 0.00 -2.23 0.00 0.00 60.65 60.41 3krt s ILE 34 Cb -0.04 -4.31 -0.02 0.00 -1.58 0.00 0.00 42.46 36.52 3krt s ILE 34 CO -0.02 0.20 0.02 -0.89 -1.23 0.00 0.00 174.94 173.02 3krt s THR 35 N 0.74 0.14 0.06 2.92 2.01 0.17 -2.55 115.64 119.13 3krt s THR 35 Ca 0.51 -1.15 0.09 0.00 0.31 0.00 0.00 61.69 61.45 3krt s THR 35 Cb -0.22 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 3krt s THR 35 CO 0.29 -0.63 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.65 3krt s VAL 36 N -2.34 1.98 -0.10 3.82 1.01 -1.08 -0.85 120.40 122.83 3krt s VAL 36 Ca -0.08 -1.37 -0.02 0.00 0.00 0.00 0.00 61.98 60.51 3krt s VAL 36 Cb -0.03 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3krt s VAL 36 CO -0.04 0.27 -0.01 -1.00 0.00 0.00 0.00 175.10 174.33 3krt s HIS 37 N -0.84 3.13 0.49 5.22 3.76 -1.26 -1.00 115.29 124.79 3krt s HIS 37 Ca 0.10 0.10 0.19 0.00 -0.15 0.00 0.00 55.06 55.30 3krt s HIS 37 Cb -0.10 -1.83 1.23 0.00 1.11 0.00 0.00 32.58 33.00 3krt s HIS 37 CO 0.02 0.36 2.02 -0.22 -0.85 0.00 0.00 174.74 176.07 3krt h LYS 38 N 5.51 0.15 -1.06 1.40 3.64 -1.34 -1.41 116.57 123.46 3krt h LYS 38 Ca -0.47 -0.01 0.28 0.00 -1.27 0.00 0.00 60.65 59.18 3krt h LYS 38 Cb 1.19 -0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.87 3krt h LYS 38 CO 0.57 0.10 0.66 -0.44 -2.27 0.00 0.00 179.45 178.07 3krt h ASP 39 N 0.16 0.49 -0.19 4.20 5.19 -1.94 -3.26 116.42 121.07 3krt h ASP 39 Ca 0.22 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 3krt h ASP 39 Cb 0.64 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.19 3krt h ASP 39 CO -0.03 0.05 0.00 -0.62 -3.12 0.00 0.00 179.24 175.52 3krt n GLU 40 N -4.72 2.65 0.26 3.56 1.02 -0.53 -4.71 120.64 118.16 3krt n GLU 40 Ca 0.27 -2.23 0.17 0.00 -0.02 0.00 0.00 57.16 55.36 3krt n GLU 40 Cb 0.90 -1.40 0.88 0.00 -0.02 0.00 0.00 31.44 31.80 3krt n GLU 40 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3krt h THR 41 N 1.16 0.00 -0.02 2.62 1.35 -1.65 -1.80 112.91 114.57 3krt h THR 41 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3krt h THR 41 Cb 0.92 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3krt h THR 41 CO 0.06 0.00 -0.12 -0.62 -0.25 0.00 0.00 175.52 174.59 3krt n GLU 42 N -2.75 1.53 0.29 4.72 1.02 -1.26 -4.61 120.64 119.58 3krt n GLU 42 Ca -0.01 -1.33 0.15 0.00 -0.02 0.00 0.00 57.16 55.95 3krt n GLU 42 Cb 0.11 -1.33 0.82 0.00 -0.02 0.00 0.00 31.44 31.02 3krt n GLU 42 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3krt h MET 43 N 2.98 0.00 -0.80 3.49 -0.00 -1.68 -2.03 114.93 116.89 3krt h MET 43 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 59.70 59.44 3krt h MET 43 Cb 0.69 0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 32.13 3krt h MET 43 CO 0.00 0.00 0.33 1.19 -0.00 0.00 0.00 176.91 178.43 3krt n PHE 44 N -2.72 2.56 -0.04 -0.10 3.01 -1.26 -4.99 117.46 113.91 3krt n PHE 44 Ca -0.02 -1.28 0.00 0.00 1.01 0.00 0.00 57.45 57.16 3krt n PHE 44 Cb 0.26 -0.73 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 3krt n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3krt n ALA 45 N -0.27 0.00 -3.47 4.37 0.00 -0.77 -3.34 120.51 117.03 3krt n ALA 45 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.54 3krt n ALA 45 Cb 1.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.82 3krt n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3krt n GLY 46 N 0.00 4.55 3.25 0.00 0.00 -1.26 -5.03 105.19 106.70 3krt n GLY 46 Ca 0.00 -2.67 -0.24 0.00 0.00 0.00 0.00 46.02 43.11 3krt n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3krt s LEU 47 N -2.04 2.23 0.72 0.99 1.43 -1.21 -5.14 118.68 115.67 3krt s LEU 47 Ca 0.32 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 3krt s LEU 47 Cb 0.03 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.42 3krt s LEU 47 CO -0.05 0.09 1.20 -1.61 0.23 0.00 0.00 176.35 176.21 3krt s GLU 48 N -1.54 2.20 0.14 1.70 0.41 -1.26 -4.95 118.70 115.39 3krt s GLU 48 Ca 0.06 1.74 -0.20 0.00 -0.41 0.00 0.00 54.97 56.15 3krt s GLU 48 Cb -0.09 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.42 3krt s GLU 48 CO 0.03 -1.79 1.68 1.15 -0.49 0.00 0.00 175.26 175.84 3krt h THR 49 N -0.25 0.65 0.00 3.63 2.02 -1.97 -2.18 112.91 114.81 3krt h THR 49 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3krt h THR 49 Cb 1.29 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3krt h THR 49 CO 0.50 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.93 3krt n ARG 50 N -5.27 0.07 -0.19 6.66 3.00 -1.26 -0.99 116.66 118.67 3krt n ARG 50 Ca -0.02 0.45 0.12 0.00 -0.01 0.00 0.00 57.85 58.39 3krt n ARG 50 Cb 0.19 -1.67 0.22 0.00 0.00 0.00 0.00 32.46 31.20 3krt n ARG 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3krt n ASP 51 N -1.80 3.50 -4.68 0.55 8.00 -0.83 -4.92 116.55 116.37 3krt n ASP 51 Ca 0.01 -2.00 -0.40 0.00 0.71 0.00 0.00 54.79 53.11 3krt n ASP 51 Cb 0.09 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 40.89 3krt n ASP 51 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3krt s LYS 52 N -1.48 4.29 -0.50 -1.24 1.02 -0.16 -4.94 119.74 116.73 3krt s LYS 52 Ca 0.39 0.83 -0.16 0.00 0.02 0.00 0.00 55.97 57.05 3krt s LYS 52 Cb 0.23 -3.55 0.09 0.00 -0.52 0.00 0.00 37.83 34.08 3krt s LYS 52 CO 0.32 -0.21 0.46 0.34 -0.92 0.00 0.00 175.35 175.34 3krt s ASP 53 N 1.10 6.17 0.58 2.83 -1.08 -1.26 -4.95 116.67 120.05 3krt s ASP 53 Ca 0.34 -1.43 0.29 0.00 -0.52 0.00 0.00 52.55 51.23 3krt s ASP 53 Cb -0.16 -2.21 1.45 0.00 -1.46 0.00 0.00 42.92 40.54 3krt s ASP 53 CO 0.13 -0.75 1.86 -0.65 0.52 0.00 0.00 175.17 176.28 3krt h PRO 54 N 8.84 0.00 0.00 4.34 0.11 -1.89 -1.23 132.00 142.16 3krt h PRO 54 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3krt h PRO 54 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3krt h PRO 54 CO 0.94 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.73 3krt h ARG 55 N 0.00 0.00 0.00 1.05 3.08 -1.93 -1.96 114.38 114.62 3krt h ARG 55 Ca 0.27 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.12 3krt h ARG 55 Cb 1.37 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.39 3krt h ARG 55 CO -0.00 0.00 -0.97 0.87 -1.07 0.00 0.00 179.97 178.80 3krt h LYS 56 N 0.00 0.00 0.00 0.04 1.79 -1.62 -3.33 116.57 113.45 3krt h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3krt h LYS 56 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3krt h LYS 56 CO 0.00 0.97 -1.48 -1.13 -1.08 0.00 0.00 179.45 176.73 3krt n SER 57 N -3.35 0.43 -4.66 0.86 3.41 -0.79 -4.93 113.62 104.59 3krt n SER 57 Ca 0.00 -0.25 -0.41 0.00 -0.26 0.00 0.00 58.87 57.95 3krt n SER 57 Cb 0.93 1.39 -0.05 0.00 -0.26 0.00 0.00 64.21 66.22 3krt n SER 57 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3krt s ILE 58 N -3.32 4.91 0.12 -1.33 1.01 -0.89 -4.46 121.20 117.24 3krt s ILE 58 Ca -0.01 1.48 0.07 0.00 0.00 0.00 0.00 60.65 62.18 3krt s ILE 58 Cb 0.14 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3krt s ILE 58 CO 0.87 0.02 -0.06 -1.00 0.00 0.00 0.00 174.94 174.77 3krt s HIS 59 N 2.28 2.81 -0.40 3.97 3.76 -0.03 -4.95 115.29 122.73 3krt s HIS 59 Ca 0.34 -0.13 -0.11 0.00 -0.15 0.00 0.00 55.06 55.01 3krt s HIS 59 Cb -0.16 -1.44 0.04 0.00 1.11 0.00 0.00 32.58 32.13 3krt s HIS 59 CO 0.10 0.46 0.24 -1.17 -0.85 0.00 0.00 174.74 173.52 3krt s LEU 60 N -2.39 4.93 0.27 0.89 2.96 -1.26 -0.65 118.68 123.43 3krt s LEU 60 Ca 0.24 -1.12 0.08 0.00 -0.22 0.00 0.00 54.13 53.10 3krt s LEU 60 Cb -0.11 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3krt s LEU 60 CO 0.16 -0.45 0.13 -1.81 -1.32 0.00 0.00 176.35 173.06 3krt s ASP 61 N 1.77 5.11 -0.20 3.68 1.01 -0.24 -4.91 116.67 122.89 3krt s ASP 61 Ca 0.02 -0.45 -0.14 0.00 0.71 0.00 0.00 52.55 52.70 3krt s ASP 61 Cb -0.20 -1.12 -0.04 0.00 1.01 0.00 0.00 42.92 42.56 3krt s ASP 61 CO 0.06 -0.07 0.32 -1.81 0.21 0.00 0.00 175.17 173.87 3krt s ASP 62 N -3.80 6.36 0.02 0.27 1.01 -1.26 -1.23 116.67 118.03 3krt s ASP 62 Ca 0.33 0.41 0.04 0.00 0.71 0.00 0.00 52.55 54.05 3krt s ASP 62 Cb -0.07 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 3krt s ASP 62 CO 0.23 -0.00 -0.12 -0.69 0.21 0.00 0.00 175.17 174.80 3krt s VAL 63 N 1.07 0.96 0.39 -1.27 1.01 0.78 -4.89 120.40 118.45 3krt s VAL 63 Ca 0.16 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 3krt s VAL 63 Cb -0.14 -0.85 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 3krt s VAL 63 CO 0.06 0.10 1.07 -2.16 0.00 0.00 0.00 175.10 174.17 3krt s PRO 64 N -0.73 4.20 0.18 2.72 0.04 -1.26 -0.29 135.00 139.86 3krt s PRO 64 Ca 0.02 1.57 -0.32 0.00 0.04 0.00 0.00 61.00 62.32 3krt s PRO 64 Cb -0.06 -2.63 -0.11 0.00 0.04 0.00 0.00 34.50 31.75 3krt s PRO 64 CO 0.00 -0.12 1.61 0.08 0.04 0.00 0.00 177.00 178.61 3krt s VAL 65 N -1.58 2.45 0.61 -0.36 1.01 -1.08 -4.87 120.40 116.58 3krt s VAL 65 Ca 0.56 0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 3krt s VAL 65 Cb -0.24 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3krt s VAL 65 CO 0.30 0.03 1.03 -2.16 0.00 0.00 0.00 175.10 174.29 3krt s PRO 66 N 1.05 3.59 0.19 2.72 0.04 -1.26 -5.00 135.00 136.32 3krt s PRO 66 Ca 0.71 0.81 -0.32 0.00 0.04 0.00 0.00 61.00 62.23 3krt s PRO 66 Cb -0.45 -2.08 -0.12 0.00 0.04 0.00 0.00 34.50 31.89 3krt s PRO 66 CO 0.32 -0.58 1.74 -1.91 0.04 0.00 0.00 177.00 176.61 3krt n GLU 67 N -2.60 2.74 -2.85 4.56 2.13 -1.26 -4.96 120.64 118.40 3krt n GLU 67 Ca 0.06 0.99 -0.42 0.00 0.66 0.00 0.00 57.16 58.45 3krt n GLU 67 Cb 0.54 -2.84 -0.04 0.00 0.27 0.00 0.00 31.44 29.37 3krt n GLU 67 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3krt s LEU 68 N 1.47 4.04 0.60 4.31 2.96 -1.26 -5.05 118.68 125.76 3krt s LEU 68 Ca 0.77 0.64 0.08 0.00 -0.22 0.00 0.00 54.13 55.39 3krt s LEU 68 Cb -0.51 -3.20 0.10 0.00 0.50 0.00 0.00 46.19 43.07 3krt s LEU 68 CO 0.34 -0.76 0.83 -0.83 -1.32 0.00 0.00 176.35 174.60 3krt s GLY 69 N 1.76 1.73 0.29 7.98 0.00 -1.26 -4.90 107.32 112.92 3krt s GLY 69 Ca 0.36 -2.08 -0.30 0.00 0.00 0.00 0.00 44.72 42.70 3krt s GLY 69 CO 0.16 -1.60 1.54 -1.05 0.00 0.00 0.00 173.10 172.15 3krt n PRO 70 N -2.35 2.56 -1.18 2.90 -0.02 -1.26 -2.64 135.00 133.01 3krt n PRO 70 Ca 0.16 0.91 -0.06 0.00 -2.02 0.00 0.00 63.50 62.49 3krt n PRO 70 Cb 0.61 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 3krt n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3krt n GLY 71 N 1.99 0.84 3.58 -1.23 0.00 -0.83 -4.90 105.19 104.64 3krt n GLY 71 Ca 0.08 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 3krt n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3krt s GLU 72 N -2.33 1.88 -0.02 1.61 2.02 -1.08 -1.15 118.70 119.63 3krt s GLU 72 Ca 0.00 -2.05 -0.02 0.00 0.02 0.00 0.00 54.97 52.92 3krt s GLU 72 Cb 0.00 -1.48 0.01 0.00 0.10 0.00 0.00 34.13 32.76 3krt s GLU 72 CO 0.00 -0.06 0.06 0.00 0.02 0.00 0.00 175.26 175.28 3krt s ALA 73 N -2.82 -0.13 -0.09 5.21 0.00 0.76 -0.28 121.76 124.41 3krt s ALA 73 Ca 0.35 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.35 3krt s ALA 73 Cb 0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 3krt s ALA 73 CO 0.17 -0.04 0.43 -0.51 0.00 0.00 0.00 175.76 175.81 3krt s LEU 74 N 0.21 4.33 -0.05 0.00 1.43 -0.02 -1.78 118.68 122.80 3krt s LEU 74 Ca -0.01 0.81 0.05 0.00 -1.03 0.00 0.00 54.13 53.94 3krt s LEU 74 Cb -0.02 -2.62 -0.00 0.00 0.03 0.00 0.00 46.19 43.58 3krt s LEU 74 CO -0.01 0.11 -0.19 -0.69 0.23 0.00 0.00 176.35 175.80 3krt s VAL 75 N 0.11 1.57 -0.35 -1.59 1.01 -0.48 -0.89 120.40 119.77 3krt s VAL 75 Ca 0.24 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 3krt s VAL 75 Cb -0.15 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.89 3krt s VAL 75 CO 0.10 0.45 1.17 0.00 0.00 0.00 0.00 175.10 176.82 3krt s ALA 76 N 0.03 3.36 -0.42 5.51 0.00 0.47 -1.51 121.76 129.20 3krt s ALA 76 Ca -0.05 -0.10 -0.24 0.00 0.00 0.00 0.00 51.96 51.58 3krt s ALA 76 Cb -0.12 -3.76 0.02 0.00 0.00 0.00 0.00 23.12 19.25 3krt s ALA 76 CO 0.03 -1.77 0.83 0.08 0.00 0.00 0.00 175.76 174.92 3krt s VAL 77 N 4.12 4.62 0.07 0.00 1.01 0.12 -1.14 120.40 129.20 3krt s VAL 77 Ca 0.50 0.69 -0.02 0.00 0.00 0.00 0.00 61.98 63.15 3krt s VAL 77 Cb -0.13 -4.32 -0.27 0.00 0.00 0.00 0.00 36.38 31.66 3krt s VAL 77 CO 0.22 -0.66 1.12 0.24 0.00 0.00 0.00 175.10 176.02 3krt h MET 78 N 8.84 0.21 -3.07 2.72 2.86 -1.39 0.75 114.93 125.85 3krt h MET 78 Ca -0.24 -0.36 0.01 0.00 -2.06 0.00 0.00 59.70 57.04 3krt h MET 78 Cb 1.08 0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.79 3krt h MET 78 CO 0.97 1.15 0.18 0.00 1.06 0.00 0.00 176.91 180.26 3krt s ALA 79 N -2.66 -1.33 0.00 6.32 0.00 -0.95 -1.32 121.76 121.83 3krt s ALA 79 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3krt s ALA 79 Cb 0.08 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.06 3krt s ALA 79 CO 0.87 -0.87 0.00 0.45 0.00 0.00 0.00 175.76 176.21 3krt n SER 80 N -0.40 0.00 -3.76 0.00 2.88 0.49 -1.96 113.62 110.88 3krt n SER 80 Ca -0.11 -0.49 -0.10 0.00 -1.33 0.00 0.00 58.87 56.84 3krt n SER 80 Cb 0.62 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.02 3krt n SER 80 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3krt s SER 81 N 0.27 -0.07 -0.20 -3.46 1.04 -1.26 -1.46 113.70 108.55 3krt s SER 81 Ca 0.00 -0.37 -0.20 0.00 0.48 0.00 0.00 55.95 55.86 3krt s SER 81 Cb 0.00 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 3krt s SER 81 CO 0.00 -0.71 0.60 -0.69 0.98 0.00 0.00 173.24 173.42 3krt s VAL 82 N -3.28 5.04 0.21 5.02 1.01 -0.93 -4.57 120.40 122.91 3krt s VAL 82 Ca 0.00 1.13 0.07 0.00 0.00 0.00 0.00 61.98 63.18 3krt s VAL 82 Cb 0.02 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3krt s VAL 82 CO -0.08 0.12 0.08 0.20 0.00 0.00 0.00 175.10 175.43 3krt s ASN 83 N 1.21 5.11 0.23 3.32 0.01 -1.26 -4.63 114.94 118.93 3krt s ASN 83 Ca 0.27 -0.34 -0.06 0.00 -0.71 0.00 0.00 52.86 52.02 3krt s ASN 83 Cb -0.16 -1.19 0.41 0.00 0.41 0.00 0.00 41.25 40.72 3krt s ASN 83 CO 0.10 0.03 1.70 1.88 -1.51 0.00 0.00 177.10 179.31 3krt h TYR 84 N 2.16 0.30 -0.70 2.20 0.99 -1.97 0.03 116.97 119.98 3krt h TYR 84 Ca -0.47 0.04 0.11 0.00 2.00 0.00 0.00 58.73 60.41 3krt h TYR 84 Cb 1.22 -0.03 -0.05 0.00 1.00 0.00 0.00 36.73 38.88 3krt h TYR 84 CO 0.61 -0.04 0.47 -2.95 -0.00 0.00 0.00 178.16 176.24 3krt h ASN 85 N 0.30 0.46 -0.11 3.88 -1.07 -1.99 0.96 115.58 118.02 3krt h ASN 85 Ca 0.39 0.02 -0.13 0.00 0.07 0.00 0.00 56.30 56.64 3krt h ASN 85 Cb 0.62 -0.08 -0.01 0.00 -2.07 0.00 0.00 38.32 36.78 3krt h ASN 85 CO -0.46 0.26 -0.35 0.28 0.07 0.00 0.00 177.43 177.24 3krt h SER 86 N 0.50 0.64 -0.29 6.14 0.02 -1.39 -1.37 113.55 117.80 3krt h SER 86 Ca 0.33 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3krt h SER 86 Cb 0.61 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3krt h SER 86 CO -0.11 0.93 -0.07 0.58 -1.14 0.00 0.00 176.83 177.03 3krt h VAL 87 N 0.51 1.28 -0.71 2.27 2.07 -0.51 -1.98 116.25 119.18 3krt h VAL 87 Ca 0.05 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 3krt h VAL 87 Cb 0.85 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 3krt h VAL 87 CO 0.07 0.35 0.33 0.45 0.02 0.00 0.00 177.57 178.79 3krt h HIS 88 N 0.32 1.01 -0.64 1.57 3.86 -0.74 -2.41 115.15 118.14 3krt h HIS 88 Ca 0.07 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 3krt h HIS 88 Cb 0.55 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 3krt h HIS 88 CO 0.05 0.74 0.06 0.00 0.86 0.00 0.00 177.93 179.64 3krt h THR 89 N 1.00 1.26 -0.73 2.45 1.03 -1.18 -2.94 112.91 113.81 3krt h THR 89 Ca 0.24 -1.08 0.16 0.00 -0.01 0.00 0.00 66.41 65.72 3krt h THR 89 Cb 0.12 0.71 -0.11 0.00 -1.07 0.00 0.00 68.15 67.80 3krt h THR 89 CO -0.03 0.40 0.19 0.28 -0.01 0.00 0.00 175.52 176.35 3krt h SER 90 N 1.00 0.04 -1.95 0.00 0.02 -0.91 -3.39 113.55 108.36 3krt h SER 90 Ca 0.19 0.14 -0.45 0.00 -0.84 0.00 0.00 61.79 60.83 3krt h SER 90 Cb 0.49 0.18 0.05 0.00 0.14 0.00 0.00 62.40 63.26 3krt h SER 90 CO 0.02 -0.02 -0.04 0.27 -1.14 0.00 0.00 176.83 175.92 3krt s ILE 91 N -6.04 2.47 -0.80 3.27 -4.36 -0.95 -4.71 121.20 110.07 3krt s ILE 91 Ca -0.13 -0.75 0.02 0.00 -0.26 0.00 0.00 60.65 59.53 3krt s ILE 91 Cb 0.21 -2.72 0.31 0.00 1.25 0.00 0.00 42.46 41.51 3krt s ILE 91 CO 0.76 0.00 1.23 0.49 0.24 0.00 0.00 174.94 177.65 3krt n PHE 92 N -2.40 3.29 -5.29 1.37 3.01 -1.26 -4.79 117.46 111.40 3krt n PHE 92 Ca 0.11 -3.40 -0.31 0.00 1.01 0.00 0.00 57.45 54.86 3krt n PHE 92 Cb 0.60 -0.83 -0.16 0.00 -0.01 0.00 0.00 39.48 39.08 3krt n PHE 92 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3krt s GLU 93 N -3.34 2.29 0.19 -1.08 2.56 -1.12 -3.44 118.70 114.77 3krt s GLU 93 Ca 0.41 -0.92 -0.06 0.00 0.00 0.00 0.00 54.97 54.40 3krt s GLU 93 Cb 0.18 -2.09 0.09 0.00 2.00 0.00 0.00 34.13 34.31 3krt s GLU 93 CO -0.06 0.49 1.54 -1.35 -0.56 0.00 0.00 175.26 175.32 3krt h PRO 94 N 5.71 0.75 -5.60 4.30 0.11 -1.94 -3.41 132.00 131.92 3krt h PRO 94 Ca -0.39 -0.38 -0.55 0.00 0.11 0.00 0.00 66.00 64.79 3krt h PRO 94 Cb 1.14 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 3krt h PRO 94 CO 0.47 1.01 -0.65 -0.51 -0.21 0.00 0.00 178.00 178.11 3krt s LEU 95 N -8.71 2.58 0.88 2.35 2.01 -1.22 -5.15 118.68 111.43 3krt s LEU 95 Ca -0.09 -1.26 -0.11 0.00 0.01 0.00 0.00 54.13 52.68 3krt s LEU 95 Cb 0.12 -0.74 0.12 0.00 0.01 0.00 0.00 46.19 45.70 3krt s LEU 95 CO 0.85 -0.37 1.09 -0.94 1.01 0.00 0.00 176.35 177.99 3krt s SER 96 N -3.55 3.53 0.01 2.29 1.04 -1.24 -4.88 113.70 110.90 3krt s SER 96 Ca 0.33 1.66 0.25 0.00 0.48 0.00 0.00 55.95 58.67 3krt s SER 96 Cb 0.05 -2.32 1.07 0.00 0.10 0.00 0.00 66.02 64.92 3krt s SER 96 CO 0.15 -2.63 1.81 0.35 0.98 0.00 0.00 173.24 173.90 3krt n THR 97 N -3.89 0.28 0.20 2.02 -2.24 -1.26 -3.95 114.28 105.44 3krt n THR 97 Ca 0.08 0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 3krt n THR 97 Cb 0.54 -0.64 0.42 0.00 -2.10 0.00 0.00 70.33 68.55 3krt n THR 97 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3krt h PHE 98 N 0.00 0.00 0.12 4.78 -1.00 -1.93 -2.90 116.94 116.01 3krt h PHE 98 Ca 0.00 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.80 3krt h PHE 98 Cb 0.45 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.98 3krt h PHE 98 CO 0.00 0.32 -0.24 0.78 -1.61 0.00 0.00 178.31 177.56 3krt h GLY 99 N 1.76 -0.44 0.94 -1.45 0.00 -1.98 -1.21 103.07 100.70 3krt h GLY 99 Ca -0.00 0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 3krt h GLY 99 CO 0.04 -0.21 -0.02 -2.75 0.00 0.00 0.00 176.54 173.60 3krt h PHE 100 N -0.44 0.77 -0.68 5.60 3.57 -1.81 -1.82 116.94 122.13 3krt h PHE 100 Ca 0.03 -0.14 0.11 0.00 3.53 0.00 0.00 57.97 61.50 3krt h PHE 100 Cb 0.46 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 38.92 3krt h PHE 100 CO -0.22 0.79 0.29 -0.07 -2.23 0.00 0.00 178.31 176.87 3krt h LEU 101 N 0.52 0.31 -0.24 0.59 3.38 -1.40 -0.50 115.31 117.97 3krt h LEU 101 Ca 0.11 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3krt h LEU 101 Cb 0.50 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3krt h LEU 101 CO 0.02 0.16 0.10 -0.33 0.09 0.00 0.00 178.44 178.48 3krt h GLU 102 N 0.47 0.36 0.11 1.13 5.08 -0.98 0.79 114.58 121.53 3krt h GLU 102 Ca 0.35 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3krt h GLU 102 Cb 0.46 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3krt h GLU 102 CO -0.33 0.40 -0.05 0.00 -1.00 0.00 0.00 179.01 178.03 3krt h ARG 103 N 0.23 -0.14 -0.80 2.33 3.08 -1.07 -3.16 114.38 114.85 3krt h ARG 103 Ca 0.08 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.18 3krt h ARG 103 Cb 0.18 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 3krt h ARG 103 CO -0.01 0.30 0.53 -0.92 -1.07 0.00 0.00 179.97 178.81 3krt h TYR 104 N -0.65 0.94 0.00 3.04 3.20 -1.14 -1.78 116.97 120.57 3krt h TYR 104 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3krt h TYR 104 Cb 0.51 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3krt h TYR 104 CO 0.08 0.53 0.23 0.41 -1.64 0.00 0.00 178.16 177.77 3krt n GLY 105 N -1.42 -0.55 0.10 1.82 0.00 0.27 -1.64 105.19 103.76 3krt n GLY 105 Ca 0.11 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.35 3krt n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krt n ARG 106 N -1.85 0.25 0.07 1.61 1.74 -0.67 -3.53 116.66 114.29 3krt n ARG 106 Ca -0.01 0.20 -0.06 0.00 -0.77 0.00 0.00 57.85 57.22 3krt n ARG 106 Cb 0.24 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 29.82 3krt n ARG 106 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3krt h VAL 107 N 0.00 1.67 -2.64 1.55 2.07 -1.50 -3.48 116.25 113.92 3krt h VAL 107 Ca 0.00 -3.21 0.12 0.00 0.82 0.00 0.00 66.70 64.43 3krt h VAL 107 Cb 0.73 2.73 -0.08 0.00 -1.52 0.00 0.00 31.29 33.16 3krt h VAL 107 CO 0.00 0.92 0.37 -0.94 0.02 0.00 0.00 177.57 177.93 3krt s SER 108 N -6.73 -0.25 0.17 0.57 1.04 -1.26 -4.99 113.70 102.25 3krt s SER 108 Ca 0.01 -0.44 -0.14 0.00 0.48 0.00 0.00 55.95 55.86 3krt s SER 108 Cb 0.10 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.87 3krt s SER 108 CO 0.81 -1.07 1.81 0.44 0.98 0.00 0.00 173.24 176.22 3krt h ASP 109 N 2.00 0.62 -0.39 7.02 3.32 -1.92 -2.34 116.42 124.74 3krt h ASP 109 Ca -0.23 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.70 3krt h ASP 109 Cb 1.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 3krt h ASP 109 CO 0.26 0.48 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.15 3krt h LEU 110 N 0.71 0.77 -1.28 1.55 -0.00 -1.96 -2.66 115.31 112.44 3krt h LEU 110 Ca 0.19 -0.20 -0.07 0.00 -0.00 0.00 0.00 57.88 57.80 3krt h LEU 110 Cb -0.03 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.41 3krt h LEU 110 CO -0.04 0.86 -0.26 0.00 -0.00 0.00 0.00 178.44 179.01 3krt h ALA 111 N 1.22 1.40 0.00 1.53 0.00 -1.84 -2.85 119.26 118.72 3krt h ALA 111 Ca 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3krt h ALA 111 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3krt h ALA 111 CO 0.03 0.42 -0.19 -0.22 0.00 0.00 0.00 179.25 179.29 3krt h LYS 112 N 0.14 0.00 -1.08 0.00 3.64 -1.05 -2.87 116.57 115.35 3krt h LYS 112 Ca 0.02 0.00 0.29 0.00 -1.27 0.00 0.00 60.65 59.69 3krt h LYS 112 Cb 0.54 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 3krt h LYS 112 CO 0.04 0.19 0.72 0.00 -2.27 0.00 0.00 179.45 178.12 3krt h ARG 113 N 0.00 0.27 0.00 1.90 3.08 -1.49 0.20 114.38 118.34 3krt h ARG 113 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3krt h ARG 113 Cb 0.56 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3krt h ARG 113 CO 0.02 0.18 0.00 0.45 -1.07 0.00 0.00 179.97 179.55 3krt h HIS 114 N 0.28 0.00 -1.23 3.04 3.86 -1.70 -3.41 115.15 115.99 3krt h HIS 114 Ca 0.59 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 59.11 3krt h HIS 114 Cb 1.73 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 30.09 3krt h HIS 114 CO -0.00 0.00 1.96 0.34 0.86 0.00 0.00 177.93 181.08 3krt s ASP 115 N -5.22 6.89 0.32 2.45 2.15 0.06 -4.70 116.67 118.62 3krt s ASP 115 Ca 0.07 -2.57 0.08 0.00 0.43 0.00 0.00 52.55 50.55 3krt s ASP 115 Cb 0.09 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 40.12 3krt s ASP 115 CO 0.57 -1.06 -0.08 -0.76 -0.17 0.00 0.00 175.17 173.67 3krt s LEU 116 N 3.52 2.62 0.00 -1.34 1.43 -1.26 -5.03 118.68 118.62 3krt s LEU 116 Ca 0.51 -1.20 0.22 0.00 -1.03 0.00 0.00 54.13 52.63 3krt s LEU 116 Cb 0.02 -0.84 0.99 0.00 0.03 0.00 0.00 46.19 46.39 3krt s LEU 116 CO 0.05 -0.27 1.70 -2.65 0.23 0.00 0.00 176.35 175.42 3krt n PRO 117 N -0.70 0.11 -4.23 1.29 -0.02 -1.26 -4.74 135.00 125.44 3krt n PRO 117 Ca -0.05 0.11 -0.18 0.00 -2.02 0.00 0.00 63.50 61.36 3krt n PRO 117 Cb 0.63 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.50 3krt n PRO 117 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3krt s TYR 118 N -2.85 1.38 -0.27 6.00 -0.85 -1.26 -0.86 117.35 118.64 3krt s TYR 118 Ca 0.14 -0.54 0.03 0.00 -0.52 0.00 0.00 57.07 56.18 3krt s TYR 118 Cb 0.14 -0.73 0.06 0.00 0.38 0.00 0.00 41.96 41.81 3krt s TYR 118 CO 0.37 0.13 -0.10 -1.58 -1.52 0.00 0.00 175.55 172.86 3krt s HIS 119 N -1.97 3.29 -0.27 -3.49 2.46 -0.17 -4.97 115.29 110.17 3krt s HIS 119 Ca 0.07 -2.33 -0.29 0.00 0.47 0.00 0.00 55.06 52.98 3krt s HIS 119 Cb -0.06 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.42 3krt s HIS 119 CO 0.03 -0.88 1.18 0.08 -2.47 0.00 0.00 174.74 172.69 3krt s VAL 120 N 1.10 4.36 0.47 0.89 1.01 -1.26 -2.64 120.40 124.33 3krt s VAL 120 Ca -0.08 1.59 0.08 0.00 0.00 0.00 0.00 61.98 63.57 3krt s VAL 120 Cb -0.20 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 31.98 3krt s VAL 120 CO -0.05 -0.36 0.58 0.27 0.00 0.00 0.00 175.10 175.54 3krt s ILE 121 N 3.79 2.60 0.00 2.22 -4.36 -1.06 -1.23 121.20 123.16 3krt s ILE 121 Ca 0.51 -1.11 0.00 0.00 -0.26 0.00 0.00 60.65 59.79 3krt s ILE 121 Cb -0.16 -2.71 0.00 0.00 1.25 0.00 0.00 42.46 40.84 3krt s ILE 121 CO 0.16 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.95 3krt n GLY 122 N -1.89 3.10 0.02 6.27 0.00 -1.25 -0.81 105.19 110.64 3krt n GLY 122 Ca 0.08 -1.40 0.02 0.00 0.00 0.00 0.00 46.02 44.72 3krt n GLY 122 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3krt n SER 123 N 0.00 2.03 -4.33 1.61 7.64 -1.26 -1.20 113.62 118.10 3krt n SER 123 Ca 0.00 -2.19 -0.19 0.00 1.01 0.00 0.00 58.87 57.50 3krt n SER 123 Cb 0.00 -0.08 -0.11 0.00 -1.01 0.00 0.00 64.21 63.01 3krt n SER 123 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3krt s ASP 124 N -1.34 2.51 -0.07 6.43 1.01 -1.26 -4.48 116.67 119.47 3krt s ASP 124 Ca 0.06 -0.94 -0.30 0.00 0.71 0.00 0.00 52.55 52.08 3krt s ASP 124 Cb 0.05 -0.13 0.09 0.00 1.01 0.00 0.00 42.92 43.95 3krt s ASP 124 CO 0.01 -0.13 0.81 -1.48 0.21 0.00 0.00 175.17 174.59 3krt s LEU 125 N -3.00 -0.52 -0.02 1.23 0.05 -1.26 -4.37 118.68 110.79 3krt s LEU 125 Ca 0.18 0.48 -0.00 0.00 0.05 0.00 0.00 54.13 54.84 3krt s LEU 125 Cb -0.03 2.25 0.03 0.00 -2.05 0.00 0.00 46.19 46.39 3krt s LEU 125 CO 0.06 -0.54 0.03 0.00 -0.55 0.00 0.00 176.35 175.35 3krt s ALA 126 N -1.54 0.04 0.00 1.48 0.00 -0.83 -2.52 121.76 118.39 3krt s ALA 126 Ca -0.05 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3krt s ALA 126 Cb -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3krt s ALA 126 CO 0.03 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3krt n GLY 127 N 3.98 0.98 2.89 0.00 0.00 -0.28 -1.03 105.19 111.73 3krt n GLY 127 Ca -0.25 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 3krt n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krt s VAL 128 N -1.31 0.82 0.09 1.61 1.01 -0.29 -0.73 120.40 121.59 3krt s VAL 128 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 61.98 61.45 3krt s VAL 128 Cb 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 36.38 35.39 3krt s VAL 128 CO 0.00 0.32 1.65 0.52 0.00 0.00 0.00 175.10 177.59 3krt n VAL 129 N 4.70 0.15 -0.12 2.92 0.31 -0.47 -0.39 118.33 125.43 3krt n VAL 129 Ca -0.14 -0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 63.92 3krt n VAL 129 Cb 0.50 -1.61 -0.11 0.00 -0.91 0.00 0.00 33.84 31.71 3krt n VAL 129 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3krt n LEU 130 N 4.24 2.46 -3.62 7.52 4.77 -0.07 -0.23 117.00 132.07 3krt n LEU 130 Ca 0.18 0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 56.14 3krt n LEU 130 Cb 0.29 -0.89 -0.07 0.00 -2.33 0.00 0.00 43.42 40.42 3krt n LEU 130 CO 0.66 0.74 0.24 -0.60 -1.33 0.00 0.00 177.39 177.11 3krt s ARG 131 N -2.51 0.92 -0.07 3.23 6.06 -1.13 -4.58 118.95 120.87 3krt s ARG 131 Ca -0.35 -0.05 0.02 0.00 -2.50 0.00 0.00 55.73 52.85 3krt s ARG 131 Cb 0.11 0.42 0.01 0.00 0.06 0.00 0.00 34.95 35.55 3krt s ARG 131 CO 0.57 -0.29 -0.13 0.99 -2.50 0.00 0.00 175.30 173.93 3krt s THR 132 N -1.64 1.19 0.95 4.11 2.01 -1.26 -0.84 115.64 120.16 3krt s THR 132 Ca -0.10 -0.51 -0.15 0.00 0.31 0.00 0.00 61.69 61.24 3krt s THR 132 Cb -0.02 -1.08 0.20 0.00 0.01 0.00 0.00 72.50 71.61 3krt s THR 132 CO 0.04 0.37 1.31 -0.83 -0.69 0.00 0.00 174.62 174.82 3krt s GLY 133 N 0.63 1.78 0.15 4.40 0.00 0.61 -4.96 107.32 109.94 3krt s GLY 133 Ca -0.15 -1.24 -0.31 0.00 0.00 0.00 0.00 44.72 43.02 3krt s GLY 133 CO 0.04 -0.47 1.64 -4.14 0.00 0.00 0.00 173.10 170.17 3krt s PRO 134 N -5.86 4.19 0.00 2.90 0.02 -1.26 -2.76 135.00 132.23 3krt s PRO 134 Ca 0.74 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.18 3krt s PRO 134 Cb -0.04 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3krt s PRO 134 CO 0.53 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 3krt n GLY 135 N 3.89 0.39 3.68 0.52 0.00 -1.26 -1.96 105.19 110.46 3krt n GLY 135 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3krt n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krt s VAL 136 N -2.14 4.79 0.00 1.61 1.01 -1.11 -4.88 120.40 119.67 3krt s VAL 136 Ca 0.00 1.99 0.00 0.00 0.00 0.00 0.00 61.98 63.97 3krt s VAL 136 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3krt s VAL 136 CO 0.00 -0.00 0.00 0.59 0.00 0.00 0.00 175.10 175.69 3krt n ASN 137 N 5.10 2.75 -0.02 3.32 5.03 -1.26 -4.78 115.26 125.41 3krt n ASN 137 Ca 0.08 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.66 3krt n ASN 137 Cb 0.49 0.47 0.43 0.00 -1.02 0.00 0.00 39.78 40.15 3krt n ASN 137 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3krt n ALA 138 N -0.97 3.00 -2.76 5.41 0.00 -1.26 -4.84 120.51 119.09 3krt n ALA 138 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 3krt n ALA 138 Cb 0.08 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.14 3krt n ALA 138 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3krt s TRP 139 N -2.94 0.67 0.11 0.00 0.52 -1.26 -5.16 118.94 110.87 3krt s TRP 139 Ca 0.14 -0.57 -0.08 0.00 0.02 0.00 0.00 56.10 55.61 3krt s TRP 139 Cb 0.18 -0.40 -0.01 0.00 -1.15 0.00 0.00 33.47 32.09 3krt s TRP 139 CO 0.61 -0.11 0.19 1.14 0.02 0.00 0.00 176.95 178.81 3krt s GLN 140 N -1.92 0.91 0.44 4.98 -2.07 -1.26 -4.98 119.66 115.75 3krt s GLN 140 Ca -0.07 -1.05 -0.25 0.00 -1.82 0.00 0.00 55.36 52.17 3krt s GLN 140 Cb -0.08 0.34 -0.09 0.00 -1.09 0.00 0.00 33.01 32.09 3krt s GLN 140 CO -0.01 -0.29 1.28 0.00 -1.32 0.00 0.00 175.29 174.96 3krt n ALA 141 N -0.09 1.36 0.00 2.60 0.00 -1.26 -2.20 120.51 120.93 3krt n ALA 141 Ca -0.13 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3krt n ALA 141 Cb 0.62 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3krt n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3krt n GLY 142 N 0.80 2.55 3.73 0.00 0.00 0.68 -4.73 105.19 108.22 3krt n GLY 142 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3krt n GLY 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3krt s ASP 143 N -1.80 6.82 -0.12 1.61 1.01 -0.93 -4.77 116.67 118.48 3krt s ASP 143 Ca 0.00 2.45 -0.20 0.00 0.71 0.00 0.00 52.55 55.51 3krt s ASP 143 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3krt s ASP 143 CO 0.00 -0.60 0.56 -1.61 0.21 0.00 0.00 175.17 173.73 3krt s GLU 144 N 0.18 4.33 0.05 8.23 2.02 -1.26 -1.37 118.70 130.87 3krt s GLU 144 Ca 0.60 0.58 -0.00 0.00 0.02 0.00 0.00 54.97 56.16 3krt s GLU 144 Cb -0.38 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.35 3krt s GLU 144 CO 0.37 0.05 -0.04 0.14 0.02 0.00 0.00 175.26 175.80 3krt s VAL 145 N 0.94 0.24 0.39 2.63 -7.23 0.09 -1.75 120.40 115.72 3krt s VAL 145 Ca 0.29 -1.53 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 3krt s VAL 145 Cb -0.16 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 3krt s VAL 145 CO 0.12 -0.82 0.14 0.68 -0.31 0.00 0.00 175.10 174.91 3krt s VAL 146 N -3.08 2.45 0.04 1.32 -7.23 -0.11 -1.13 120.40 112.66 3krt s VAL 146 Ca 0.00 -1.76 0.08 0.00 -1.81 0.00 0.00 61.98 58.49 3krt s VAL 146 Cb 0.02 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 3krt s VAL 146 CO -0.07 -0.06 -0.24 0.00 -0.31 0.00 0.00 175.10 174.43 3krt s ALA 147 N -2.57 2.02 0.50 1.32 0.00 -1.05 -1.43 121.76 120.54 3krt s ALA 147 Ca 0.39 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 3krt s ALA 147 Cb 0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3krt s ALA 147 CO 0.22 0.47 0.77 -1.58 0.00 0.00 0.00 175.76 175.64 3krt s HIS 148 N -0.79 3.39 -2.73 0.00 2.46 0.92 -4.49 115.29 114.05 3krt s HIS 148 Ca 0.10 0.59 0.22 0.00 0.47 0.00 0.00 55.06 56.44 3krt s HIS 148 Cb -0.09 -2.40 0.17 0.00 -0.13 0.00 0.00 32.58 30.12 3krt s HIS 148 CO 0.02 -0.43 1.19 0.00 -2.47 0.00 0.00 174.74 173.06 3krt s LEU 150 N -1.88 4.21 -0.17 0.00 2.96 -1.26 -0.53 118.68 122.01 3krt s LEU 150 Ca 0.25 1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 55.29 3krt s LEU 150 Cb 0.18 -3.15 -0.01 0.00 0.50 0.00 0.00 46.19 43.71 3krt s LEU 150 CO 0.29 -0.31 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.36 3krt s SER 151 N 1.07 4.02 0.08 3.68 0.15 -0.25 -4.75 113.70 117.71 3krt s SER 151 Ca 0.37 -0.39 0.07 0.00 0.70 0.00 0.00 55.95 56.71 3krt s SER 151 Cb -0.17 -1.64 -0.03 0.00 -1.71 0.00 0.00 66.02 62.47 3krt s SER 151 CO 0.14 0.08 -0.19 0.68 1.20 0.00 0.00 173.24 175.14 3krt s VAL 152 N 0.89 1.57 -0.21 4.45 -7.23 -1.26 -0.42 120.40 118.18 3krt s VAL 152 Ca -0.03 -1.39 0.06 0.00 -1.81 0.00 0.00 61.98 58.81 3krt s VAL 152 Cb -0.15 -1.42 -0.21 0.00 0.56 0.00 0.00 36.38 35.16 3krt s VAL 152 CO 0.00 -0.02 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.13 3krt n GLU 153 N 1.34 0.67 -2.44 4.82 -0.58 -1.26 -5.02 120.64 118.17 3krt n GLU 153 Ca -0.19 0.13 -0.17 0.00 -0.42 0.00 0.00 57.16 56.50 3krt n GLU 153 Cb 0.54 -1.56 -0.01 0.00 -0.57 0.00 0.00 31.44 29.84 3krt n GLU 153 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3krt n LEU 154 N -3.13 -1.59 -0.12 -4.62 4.77 -1.26 -4.87 117.00 106.19 3krt n LEU 154 Ca -0.39 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.54 3krt n LEU 154 Cb 1.05 -2.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.54 3krt n LEU 154 CO 0.34 -0.16 0.61 -0.08 -1.33 0.00 0.00 177.39 176.76 3krt h GLU 155 N -0.04 0.81 -7.14 3.23 4.81 -2.01 -3.43 114.58 110.82 3krt h GLU 155 Ca -0.40 -0.39 -0.51 0.00 -0.13 0.00 0.00 59.36 57.92 3krt h GLU 155 Cb 1.30 -0.00 0.10 0.00 0.63 0.00 0.00 28.75 30.77 3krt h GLU 155 CO 0.47 1.03 0.41 0.45 -0.73 0.00 0.00 179.01 180.64 3krt s SER 156 N -6.61 5.29 0.37 1.04 0.15 -1.26 -4.94 113.70 107.74 3krt s SER 156 Ca -0.12 2.16 0.26 0.00 0.70 0.00 0.00 55.95 58.95 3krt s SER 156 Cb 0.10 -2.57 0.82 0.00 -1.71 0.00 0.00 66.02 62.66 3krt s SER 156 CO 0.85 -1.51 1.76 0.77 1.20 0.00 0.00 173.24 176.31 3krt h SER 157 N 0.60 0.00 -0.83 5.45 4.64 -1.99 -3.37 113.55 118.05 3krt h SER 157 Ca -0.49 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 60.97 3krt h SER 157 Cb 1.26 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.29 3krt h SER 157 CO 0.55 0.00 0.54 0.44 -0.87 0.00 0.00 176.83 177.49 3krt h ASP 158 N 0.00 0.55 -0.54 4.97 3.32 -1.92 -2.43 116.42 120.36 3krt h ASP 158 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3krt h ASP 158 Cb 0.70 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3krt h ASP 158 CO 0.00 0.28 0.00 0.61 -1.72 0.00 0.00 179.24 178.41 3krt n GLY 159 N -1.47 2.54 0.21 2.75 0.00 -1.26 -4.35 105.19 103.61 3krt n GLY 159 Ca 0.16 -0.76 0.15 0.00 0.00 0.00 0.00 46.02 45.57 3krt n GLY 159 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3krt n HIS 160 N 0.79 0.00 0.01 1.61 8.25 -0.92 -3.28 115.22 121.68 3krt n HIS 160 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 3krt n HIS 160 Cb 0.91 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.02 3krt n HIS 160 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3krt n ASN 161 N -0.49 1.27 0.00 0.41 5.15 -1.26 -4.99 115.26 115.36 3krt n ASN 161 Ca 0.22 -1.26 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 3krt n ASN 161 Cb 0.22 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 3krt n ASN 161 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3krt n ASP 162 N -0.10 0.00 0.25 1.20 2.03 -1.23 -5.07 116.55 113.63 3krt n ASP 162 Ca 0.00 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.45 3krt n ASP 162 Cb 0.07 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 40.99 3krt n ASP 162 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3krt h THR 163 N 0.00 0.21 0.00 5.18 1.03 -1.91 -2.26 112.91 115.16 3krt h THR 163 Ca 0.00 -0.83 0.00 0.00 -0.01 0.00 0.00 66.41 65.57 3krt h THR 163 Cb 0.00 1.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 3krt h THR 163 CO 0.00 0.09 0.00 0.23 -0.01 0.00 0.00 175.52 175.83 3krt n MET 164 N -3.20 0.04 0.00 0.00 2.81 -1.26 -1.56 117.12 113.96 3krt n MET 164 Ca 0.01 0.31 0.13 0.00 -1.81 0.00 0.00 57.70 56.34 3krt n MET 164 Cb 0.39 -1.50 0.39 0.00 -0.71 0.00 0.00 33.22 31.79 3krt n MET 164 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3krt n LEU 165 N -1.36 1.50 -4.68 4.03 4.32 -0.85 -4.93 117.00 115.03 3krt n LEU 165 Ca 0.02 -0.48 -0.42 0.00 -0.02 0.00 0.00 56.01 55.11 3krt n LEU 165 Cb 0.04 -0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 3krt n LEU 165 CO 0.04 0.26 1.45 -0.62 -1.22 0.00 0.00 177.39 177.30 3krt s ASP 166 N -2.22 6.52 0.00 -1.43 2.15 -0.60 -4.19 116.67 116.90 3krt s ASP 166 Ca 0.30 2.57 0.19 0.00 0.43 0.00 0.00 52.55 56.04 3krt s ASP 166 Cb 0.20 -2.55 0.80 0.00 -0.30 0.00 0.00 42.92 41.07 3krt s ASP 166 CO 0.42 -0.97 1.60 -0.81 -0.17 0.00 0.00 175.17 175.24 3krt n PRO 167 N 6.41 0.00 -0.56 4.34 -0.04 -1.26 -2.96 135.00 140.94 3krt n PRO 167 Ca 0.18 0.18 0.09 0.00 -0.04 0.00 0.00 63.50 63.91 3krt n PRO 167 Cb 0.40 -1.51 0.34 0.00 -0.04 0.00 0.00 33.50 32.70 3krt n PRO 167 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3krt n GLU 168 N -1.51 3.58 -1.58 0.54 4.71 -1.26 -5.00 120.64 120.13 3krt n GLU 168 Ca 0.04 -2.82 -0.35 0.00 -0.01 0.00 0.00 57.16 54.02 3krt n GLU 168 Cb 0.22 -1.83 0.08 0.00 -1.01 0.00 0.00 31.44 28.90 3krt n GLU 168 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 3krt s GLN 169 N -1.80 2.32 0.00 3.49 -2.07 -1.15 -4.49 119.66 115.96 3krt s GLN 169 Ca 0.49 1.88 0.00 0.00 -1.82 0.00 0.00 55.36 55.91 3krt s GLN 169 Cb 0.31 -1.84 -0.00 0.00 -1.09 0.00 0.00 33.01 30.39 3krt s GLN 169 CO 0.24 -1.72 -0.02 1.03 -1.32 0.00 0.00 175.29 173.50 3krt s ARG 170 N -3.68 0.13 -0.24 9.60 0.52 0.44 -5.01 118.95 120.73 3krt s ARG 170 Ca 0.78 -0.14 -0.26 0.00 -0.52 0.00 0.00 55.73 55.58 3krt s ARG 170 Cb -0.32 -0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.08 3krt s ARG 170 CO 0.42 0.01 0.91 0.42 0.02 0.00 0.00 175.30 177.09 3krt s ILE 171 N -0.27 4.78 0.20 1.52 -1.09 -1.26 -1.09 121.20 123.99 3krt s ILE 171 Ca -0.02 1.74 -0.32 0.00 -2.23 0.00 0.00 60.65 59.83 3krt s ILE 171 Cb -0.02 -4.19 -0.11 0.00 -1.58 0.00 0.00 42.46 36.56 3krt s ILE 171 CO -0.00 -0.11 1.65 0.86 -1.23 0.00 0.00 174.94 176.10 3krt s TRP 172 N 2.98 2.95 0.00 3.97 -0.00 0.31 0.83 118.94 129.98 3krt s TRP 172 Ca 0.38 0.50 0.00 0.00 -0.00 0.00 0.00 56.10 56.99 3krt s TRP 172 Cb -0.15 -4.05 0.00 0.00 -0.00 0.00 0.00 33.47 29.27 3krt s TRP 172 CO 0.07 -3.89 0.00 0.41 -0.00 0.00 0.00 176.95 173.54 3krt n GLY 173 N 3.66 2.00 1.16 5.86 0.00 -1.20 -4.31 105.19 112.36 3krt n GLY 173 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3krt n GLY 173 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3krt n PHE 174 N -2.00 -0.24 0.14 1.61 7.35 -0.42 -3.75 117.46 120.16 3krt n PHE 174 Ca 0.00 0.04 0.10 0.00 -0.76 0.00 0.00 57.45 56.83 3krt n PHE 174 Cb 0.00 0.07 0.19 0.00 0.35 0.00 0.00 39.48 40.09 3krt n PHE 174 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3krt n GLU 175 N -3.34 2.35 -4.42 -4.13 1.02 0.24 -4.89 120.64 107.47 3krt n GLU 175 Ca 0.00 -2.14 -0.21 0.00 -0.02 0.00 0.00 57.16 54.79 3krt n GLU 175 Cb 0.13 -1.43 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 3krt n GLU 175 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3krt s THR 176 N -1.25 1.46 0.10 2.62 -4.23 -1.05 -4.76 115.64 108.53 3krt s THR 176 Ca 0.33 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3krt s THR 176 Cb 0.19 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.53 3krt s THR 176 CO 0.26 -0.23 0.14 -3.20 -0.54 0.00 0.00 174.62 171.05 3krt n ASN 177 N -0.59 0.23 -3.21 3.99 2.85 -1.26 -3.27 115.26 114.00 3krt n ASN 177 Ca -0.05 -1.18 -0.19 0.00 -0.11 0.00 0.00 54.58 53.05 3krt n ASN 177 Cb 0.64 -0.09 0.07 0.00 1.24 0.00 0.00 39.78 41.65 3krt n ASN 177 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3krt n PHE 178 N -1.49 -2.37 -1.46 1.20 3.72 -1.16 -4.31 117.46 111.60 3krt n PHE 178 Ca 0.02 0.88 -0.30 0.00 -0.05 0.00 0.00 57.45 58.00 3krt n PHE 178 Cb 0.09 -4.62 0.22 0.00 -0.94 0.00 0.00 39.48 34.23 3krt n PHE 178 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3krt s GLY 179 N -3.55 1.67 0.00 1.37 0.00 -0.37 -3.05 107.32 103.40 3krt s GLY 179 Ca 0.37 -1.08 0.28 0.00 0.00 0.00 0.00 44.72 44.28 3krt s GLY 179 CO 0.64 -0.24 1.76 0.61 0.00 0.00 0.00 173.10 175.88 3krt n GLY 180 N -2.20 -1.33 2.69 0.20 0.00 -0.34 -4.36 105.19 99.85 3krt n GLY 180 Ca 0.14 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3krt n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3krt n LEU 181 N -1.41 7.13 -3.71 0.99 4.77 0.01 -4.64 117.00 120.14 3krt n LEU 181 Ca 0.08 -4.31 -0.01 0.00 -0.03 0.00 0.00 56.01 51.74 3krt n LEU 181 Cb 0.32 -1.60 -0.01 0.00 -2.33 0.00 0.00 43.42 39.81 3krt n LEU 181 CO 0.29 1.33 0.89 0.00 -1.33 0.00 0.00 177.39 178.58 3krt s ALA 182 N 2.29 -1.94 -0.54 -1.18 0.00 -1.26 -0.72 121.76 118.41 3krt s ALA 182 Ca 0.49 0.35 0.24 0.00 0.00 0.00 0.00 51.96 53.04 3krt s ALA 182 Cb 0.14 0.53 0.42 0.00 0.00 0.00 0.00 23.12 24.20 3krt s ALA 182 CO -0.07 -1.06 1.49 0.93 0.00 0.00 0.00 175.76 177.06 3krt h GLU 183 N 2.00 0.00 -3.96 0.00 5.08 -1.24 -3.42 114.58 113.03 3krt h GLU 183 Ca -0.27 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.83 3krt h GLU 183 Cb 1.22 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.19 3krt h GLU 183 CO 0.28 0.00 -0.73 0.42 -1.00 0.00 0.00 179.01 177.98 3krt s ILE 184 N -3.20 0.16 0.10 3.13 -1.09 -1.26 -0.70 121.20 118.34 3krt s ILE 184 Ca 0.07 -0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.34 3krt s ILE 184 Cb 0.10 -0.16 -0.04 0.00 -1.58 0.00 0.00 42.46 40.78 3krt s ILE 184 CO 0.68 -0.02 -0.11 0.00 -1.23 0.00 0.00 174.94 174.27 3krt s ALA 185 N -0.21 1.17 -0.16 9.38 0.00 -0.57 -4.85 121.76 126.52 3krt s ALA 185 Ca -0.01 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 3krt s ALA 185 Cb -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3krt s ALA 185 CO -0.00 0.00 -0.09 -1.17 0.00 0.00 0.00 175.76 174.50 3krt s LEU 186 N -2.39 2.87 0.14 0.00 2.96 -1.17 -1.38 118.68 119.71 3krt s LEU 186 Ca 0.05 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 3krt s LEU 186 Cb -0.04 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3krt s LEU 186 CO 0.01 0.11 0.13 0.68 -1.32 0.00 0.00 176.35 175.96 3krt s VAL 187 N 0.71 0.09 0.45 1.68 -7.23 -0.74 -4.83 120.40 110.52 3krt s VAL 187 Ca -0.04 -1.74 -0.21 0.00 -1.81 0.00 0.00 61.98 58.17 3krt s VAL 187 Cb -0.15 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 3krt s VAL 187 CO 0.02 -0.40 1.01 -0.54 -0.31 0.00 0.00 175.10 174.88 3krt s LYS 188 N -4.02 4.03 0.57 4.82 1.02 -1.26 -0.17 119.74 124.72 3krt s LYS 188 Ca 0.22 1.31 0.30 0.00 0.02 0.00 0.00 55.97 57.82 3krt s LYS 188 Cb 0.06 -2.23 1.71 0.00 -0.52 0.00 0.00 37.83 36.85 3krt s LYS 188 CO 0.01 -0.22 2.18 0.66 -0.92 0.00 0.00 175.35 177.06 3krt h SER 189 N 1.90 0.00 -0.43 2.83 4.64 -1.41 -0.72 113.55 120.37 3krt h SER 189 Ca -0.49 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.67 3krt h SER 189 Cb 1.21 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.20 3krt h SER 189 CO 0.60 0.05 0.21 -0.46 -0.87 0.00 0.00 176.83 176.37 3krt n ASN 190 N -3.65 3.41 -0.00 4.97 0.23 -1.26 -2.32 115.26 116.64 3krt n ASN 190 Ca -0.02 -2.69 0.05 0.00 -0.53 0.00 0.00 54.58 51.39 3krt n ASN 190 Cb 0.16 -0.64 -0.06 0.00 -2.08 0.00 0.00 39.78 37.15 3krt n ASN 190 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3krt n GLN 191 N -0.09 3.41 -3.07 -3.83 6.02 -0.28 -4.94 117.38 114.61 3krt n GLN 191 Ca 0.24 -0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.84 3krt n GLN 191 Cb 0.96 -1.01 -0.06 0.00 1.02 0.00 0.00 30.24 31.16 3krt n GLN 191 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3krt s LEU 192 N -2.52 4.50 0.12 1.08 1.43 -0.98 -0.05 118.68 122.26 3krt s LEU 192 Ca 0.04 1.43 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 3krt s LEU 192 Cb 0.08 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 3krt s LEU 192 CO 0.44 0.13 -0.11 -0.04 0.23 0.00 0.00 176.35 177.01 3krt s MET 193 N -0.58 0.97 0.22 1.70 -1.94 -0.52 -4.93 119.30 114.22 3krt s MET 193 Ca 0.35 -1.30 -0.30 0.00 -1.71 0.00 0.00 55.69 52.73 3krt s MET 193 Cb -0.21 -0.64 -0.09 0.00 2.01 0.00 0.00 34.83 35.90 3krt s MET 193 CO 0.22 0.10 1.22 -1.25 -0.01 0.00 0.00 175.02 175.30 3krt s PRO 194 N -3.17 4.48 0.14 2.03 0.04 -1.26 -0.93 135.00 136.33 3krt s PRO 194 Ca 0.11 1.94 -0.31 0.00 0.04 0.00 0.00 61.00 62.78 3krt s PRO 194 Cb -0.01 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.24 3krt s PRO 194 CO 0.01 -0.08 1.49 0.21 0.04 0.00 0.00 177.00 178.67 3krt s LYS 195 N -0.63 4.26 0.16 4.56 2.20 -0.71 -4.49 119.74 125.08 3krt s LYS 195 Ca 0.52 2.24 -0.32 0.00 -0.36 0.00 0.00 55.97 58.04 3krt s LYS 195 Cb -0.34 -3.20 -0.11 0.00 -1.51 0.00 0.00 37.83 32.66 3krt s LYS 195 CO 0.40 -0.54 1.78 -2.30 -0.36 0.00 0.00 175.35 174.33 3krt n PRO 196 N 4.00 2.75 0.15 4.03 -0.02 -1.26 -4.91 135.00 139.74 3krt n PRO 196 Ca 0.13 1.00 0.01 0.00 -2.02 0.00 0.00 63.50 62.61 3krt n PRO 196 Cb 0.40 -2.87 0.30 0.00 -0.02 0.00 0.00 33.50 31.32 3krt n PRO 196 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3krt h ASP 197 N 7.70 0.09 -0.01 2.55 3.32 -1.93 -3.05 116.42 125.09 3krt h ASP 197 Ca -0.45 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3krt h ASP 197 Cb 1.22 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3krt h ASP 197 CO 0.95 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.94 3krt n HIS 198 N -4.06 0.00 -4.31 4.55 1.44 -1.26 0.42 115.22 112.00 3krt n HIS 198 Ca -0.02 -0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.38 3krt n HIS 198 Cb 0.44 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.45 3krt n HIS 198 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3krt s LEU 199 N -1.99 3.24 0.92 2.39 1.43 -1.16 -4.49 118.68 119.02 3krt s LEU 199 Ca 0.41 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 3krt s LEU 199 Cb 0.21 -1.93 0.14 0.00 0.03 0.00 0.00 46.19 44.65 3krt s LEU 199 CO 0.35 0.23 1.09 -0.94 0.23 0.00 0.00 176.35 177.31 3krt s SER 200 N -1.82 3.30 0.23 2.29 1.04 -1.26 -4.02 113.70 113.46 3krt s SER 200 Ca 0.20 1.37 -0.06 0.00 0.48 0.00 0.00 55.95 57.94 3krt s SER 200 Cb -0.11 -2.04 0.40 0.00 0.10 0.00 0.00 66.02 64.37 3krt s SER 200 CO 0.12 -2.73 1.72 -0.50 0.98 0.00 0.00 173.24 172.83 3krt h TRP 201 N -1.61 0.40 -0.09 5.02 4.06 -1.69 -0.07 115.95 121.97 3krt h TRP 201 Ca -0.51 0.04 -0.20 0.00 2.06 0.00 0.00 58.89 60.27 3krt h TRP 201 Cb 1.30 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 3krt h TRP 201 CO 0.38 0.03 -0.79 1.05 -3.56 0.00 0.00 178.44 175.56 3krt h GLU 202 N 0.38 0.53 -0.47 0.49 9.09 -1.90 -1.85 114.58 120.85 3krt h GLU 202 Ca 0.38 -0.45 -0.06 0.00 0.05 0.00 0.00 59.36 59.27 3krt h GLU 202 Cb 0.58 0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 27.76 3krt h GLU 202 CO -0.41 1.09 0.03 0.93 0.05 0.00 0.00 179.01 180.69 3krt h GLU 203 N 0.35 0.76 0.00 1.06 5.08 -1.80 -1.59 114.58 118.43 3krt h GLU 203 Ca -0.05 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 57.98 3krt h GLU 203 Cb 1.39 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 3krt h GLU 203 CO 0.14 0.75 -0.68 0.00 -1.00 0.00 0.00 179.01 178.23 3krt h ALA 204 N 1.32 0.88 0.00 3.43 0.00 -0.76 -2.95 119.26 121.18 3krt h ALA 204 Ca 0.15 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3krt h ALA 204 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3krt h ALA 204 CO 0.01 0.85 -0.05 0.00 0.00 0.00 0.00 179.25 180.06 3krt h ALA 205 N 1.32 0.97 -0.16 0.00 0.00 -1.17 -3.39 119.26 116.83 3krt h ALA 205 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3krt h ALA 205 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3krt h ALA 205 CO 0.09 0.00 0.08 0.00 0.00 0.00 0.00 179.25 179.42 3krt h ALA 206 N 2.29 0.21 -0.23 0.00 0.00 -1.10 -3.33 119.26 117.09 3krt h ALA 206 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 3krt h ALA 206 Cb 0.86 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3krt h ALA 206 CO 0.00 -0.23 -0.58 -1.35 0.00 0.00 0.00 179.25 177.08 3krt h PRO 207 N 0.14 0.74 0.00 0.00 0.11 -1.75 -3.44 132.00 127.80 3krt h PRO 207 Ca 0.06 -0.49 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3krt h PRO 207 Cb 0.11 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3krt h PRO 207 CO -0.01 1.11 0.00 0.41 -0.21 0.00 0.00 178.00 179.31 3krt n GLY 208 N 0.37 0.00 0.17 -0.55 0.00 -1.25 -0.08 105.19 103.86 3krt n GLY 208 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 3krt n GLY 208 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3krt h LEU 209 N 0.00 0.64 -0.26 0.99 6.46 -1.84 -2.60 115.31 118.70 3krt h LEU 209 Ca 0.00 -0.62 -0.08 0.00 -0.12 0.00 0.00 57.88 57.06 3krt h LEU 209 Cb 0.00 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.73 3krt h LEU 209 CO 0.00 1.15 -0.16 0.58 -0.62 0.00 0.00 178.44 179.40 3krt h VAL 210 N 0.18 1.30 -0.42 1.05 2.07 -1.69 -2.14 116.25 116.59 3krt h VAL 210 Ca -0.02 -1.26 -0.14 0.00 0.82 0.00 0.00 66.70 66.10 3krt h VAL 210 Cb 1.11 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3krt h VAL 210 CO 0.10 0.40 -0.28 -1.13 0.02 0.00 0.00 177.57 176.67 3krt h ASN 211 N 0.29 0.95 0.16 0.57 -1.24 -0.55 -2.18 115.58 113.58 3krt h ASN 211 Ca 0.05 -0.39 -0.15 0.00 0.71 0.00 0.00 56.30 56.53 3krt h ASN 211 Cb 0.68 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 3krt h ASN 211 CO 0.04 1.16 -0.55 0.77 -1.29 0.00 0.00 177.43 177.57 3krt h SER 212 N 0.78 0.46 -0.20 1.15 4.64 -1.48 -1.33 113.55 117.57 3krt h SER 212 Ca 0.09 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3krt h SER 212 Cb 0.85 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 3krt h SER 212 CO 0.08 0.92 0.12 0.74 -0.87 0.00 0.00 176.83 177.82 3krt h THR 213 N 0.32 1.08 -0.75 2.95 2.02 -1.31 -2.48 112.91 114.74 3krt h THR 213 Ca 0.01 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3krt h THR 213 Cb 1.06 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 3krt h THR 213 CO 0.10 0.08 0.38 0.00 0.37 0.00 0.00 175.52 176.44 3krt h ALA 214 N 1.04 0.97 0.26 6.16 0.00 -1.27 -2.10 119.26 124.31 3krt h ALA 214 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3krt h ALA 214 Cb 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3krt h ALA 214 CO -0.01 0.51 -0.36 -0.92 0.00 0.00 0.00 179.25 178.47 3krt h TYR 215 N 1.05 -0.97 -0.90 0.00 3.20 -1.23 0.14 116.97 118.26 3krt h TYR 215 Ca 0.26 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.18 3krt h TYR 215 Cb 0.09 0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 3krt h TYR 215 CO 0.01 -0.48 0.58 -0.09 -1.64 0.00 0.00 178.16 176.53 3krt h ARG 216 N -0.67 1.08 -0.23 1.82 2.43 -1.37 0.34 114.38 117.79 3krt h ARG 216 Ca -0.00 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 3krt h ARG 216 Cb 0.64 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3krt h ARG 216 CO -0.12 0.72 -0.15 0.37 -1.51 0.00 0.00 179.97 179.28 3krt h GLN 217 N 1.12 0.50 0.00 0.20 4.15 -1.11 -2.82 115.11 117.15 3krt h GLN 217 Ca 0.36 -0.23 -0.29 0.00 0.77 0.00 0.00 58.65 59.25 3krt h GLN 217 Cb 0.02 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 3krt h GLN 217 CO -0.12 0.79 -1.79 -0.11 -1.93 0.00 0.00 178.83 175.67 3krt n LEU 218 N -4.48 1.92 -0.01 -2.39 7.94 0.46 -0.65 117.00 119.78 3krt n LEU 218 Ca -0.05 0.39 -0.21 0.00 -1.11 0.00 0.00 56.01 55.03 3krt n LEU 218 Cb 0.37 -0.85 -0.13 0.00 0.53 0.00 0.00 43.42 43.33 3krt n LEU 218 CO 0.41 0.27 -0.47 0.58 -1.11 0.00 0.00 177.39 177.07 3krt h VAL 219 N -1.00 0.97 -4.11 1.96 2.07 -0.52 -1.99 116.25 113.63 3krt h VAL 219 Ca -0.44 -2.35 -0.53 0.00 0.82 0.00 0.00 66.70 64.20 3krt h VAL 219 Cb 1.34 2.62 0.12 0.00 -1.52 0.00 0.00 31.29 33.85 3krt h VAL 219 CO -0.27 0.67 0.46 -0.55 0.02 0.00 0.00 177.57 177.90 3krt s SER 220 N -6.98 5.10 0.23 0.57 0.15 -0.37 -3.95 113.70 108.44 3krt s SER 220 Ca -0.22 2.36 0.21 0.00 0.70 0.00 0.00 55.95 59.01 3krt s SER 220 Cb 0.05 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.70 3krt s SER 220 CO 0.74 -1.66 1.64 0.54 1.20 0.00 0.00 173.24 175.70 3krt n ARG 221 N -1.74 0.15 0.21 5.44 1.74 -1.26 -1.69 116.66 119.51 3krt n ARG 221 Ca 0.13 0.45 0.13 0.00 -0.77 0.00 0.00 57.85 57.80 3krt n ARG 221 Cb 0.50 -1.83 0.33 0.00 -1.02 0.00 0.00 32.46 30.43 3krt n ARG 221 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3krt h ASN 222 N 0.00 0.00 0.00 0.55 2.35 -1.91 -3.45 115.58 113.12 3krt h ASN 222 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3krt h ASN 222 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3krt h ASN 222 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 3krt n GLY 223 N 0.88 1.06 0.17 2.83 0.00 -0.68 -4.96 105.19 104.49 3krt n GLY 223 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3krt n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krt h ALA 224 N -0.40 0.81 -5.88 4.61 0.00 -0.90 -3.49 119.26 114.03 3krt h ALA 224 Ca 0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 54.91 54.27 3krt h ALA 224 Cb 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 17.79 17.85 3krt h ALA 224 CO 0.00 0.36 -0.80 0.41 0.00 0.00 0.00 179.25 179.22 3krt n GLY 225 N 1.16 -0.33 3.44 0.00 0.00 -0.76 -4.93 105.19 103.77 3krt n GLY 225 Ca 0.03 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3krt n GLY 225 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3krt n MET 226 N -4.20 0.20 -4.15 1.61 0.00 -0.81 -4.99 117.12 104.79 3krt n MET 226 Ca -0.30 0.11 -0.16 0.00 0.00 0.00 0.00 57.70 57.36 3krt n MET 226 Cb 0.67 -1.80 -0.12 0.00 0.00 0.00 0.00 33.22 31.97 3krt n MET 226 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 3krt s LYS 227 N -2.84 0.63 0.46 3.17 2.20 -1.26 -4.98 119.74 117.11 3krt s LYS 227 Ca 0.64 -0.69 -0.24 0.00 -0.36 0.00 0.00 55.97 55.31 3krt s LYS 227 Cb -0.33 -0.51 -0.09 0.00 -1.51 0.00 0.00 37.83 35.40 3krt s LYS 227 CO 0.60 0.11 1.24 0.00 -0.36 0.00 0.00 175.35 176.94 3krt n GLN 228 N 1.77 1.77 -0.26 4.03 10.64 -1.24 -1.99 117.38 132.10 3krt n GLN 228 Ca -0.20 0.64 0.00 0.00 -1.83 0.00 0.00 57.00 55.61 3krt n GLN 228 Cb 0.55 -2.37 0.00 0.00 -0.86 0.00 0.00 30.24 27.56 3krt n GLN 228 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3krt n GLY 229 N 0.87 1.66 3.77 2.61 0.00 0.39 -4.88 105.19 109.60 3krt n GLY 229 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3krt n GLY 229 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3krt s ASP 230 N -3.26 6.10 -0.22 1.61 1.01 -0.84 -4.76 116.67 116.30 3krt s ASP 230 Ca 0.00 2.38 -0.17 0.00 0.71 0.00 0.00 52.55 55.47 3krt s ASP 230 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 3krt s ASP 230 CO 0.00 -0.97 0.46 0.20 0.21 0.00 0.00 175.17 175.07 3krt s ASN 231 N -1.26 6.46 -0.20 0.27 0.01 -1.26 0.19 114.94 119.15 3krt s ASN 231 Ca 0.64 0.55 0.01 0.00 -0.71 0.00 0.00 52.86 53.34 3krt s ASN 231 Cb -0.31 -2.26 0.04 0.00 0.41 0.00 0.00 41.25 39.13 3krt s ASN 231 CO 0.37 -0.16 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.99 3krt s VAL 232 N 1.66 1.78 -0.19 1.60 1.01 -0.55 -1.05 120.40 124.66 3krt s VAL 232 Ca 0.21 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 3krt s VAL 232 Cb -0.15 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3krt s VAL 232 CO 0.09 0.24 0.77 -0.22 0.00 0.00 0.00 175.10 175.98 3krt s LEU 233 N 1.35 4.16 -0.31 3.92 2.96 0.74 0.07 118.68 131.56 3krt s LEU 233 Ca -0.00 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.97 3krt s LEU 233 Cb -0.16 -3.13 0.07 0.00 0.50 0.00 0.00 46.19 43.48 3krt s LEU 233 CO -0.09 -0.37 0.00 -0.63 -1.32 0.00 0.00 176.35 173.94 3krt s ILE 234 N 2.15 2.67 0.55 6.68 1.01 0.01 -0.21 121.20 134.07 3krt s ILE 234 Ca 0.35 -1.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.11 3krt s ILE 234 Cb -0.16 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 3krt s ILE 234 CO 0.11 -0.24 1.14 0.26 0.00 0.00 0.00 174.94 176.21 3krt s TRP 235 N 1.14 2.63 -1.38 3.97 0.52 -1.23 -0.77 118.94 123.82 3krt s TRP 235 Ca -0.02 1.54 -0.02 0.00 0.02 0.00 0.00 56.10 57.62 3krt s TRP 235 Cb -0.20 -3.31 0.02 0.00 -1.15 0.00 0.00 33.47 28.83 3krt s TRP 235 CO -0.04 -1.66 0.63 0.41 0.02 0.00 0.00 176.95 176.32 3krt n GLY 236 N 0.17 -0.29 0.28 0.98 0.00 -0.91 -4.64 105.19 100.78 3krt n GLY 236 Ca 0.12 0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.45 3krt n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krt h ALA 237 N 0.87 1.06 -0.00 4.61 0.00 -1.48 -2.21 119.26 122.11 3krt h ALA 237 Ca -0.61 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3krt h ALA 237 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3krt h ALA 237 CO 0.61 0.07 -0.85 -1.13 0.00 0.00 0.00 179.25 177.94 3krt n SER 238 N -3.24 1.22 -3.45 0.00 3.41 -1.26 -2.34 113.62 107.96 3krt n SER 238 Ca -0.01 -1.09 -0.30 0.00 -0.26 0.00 0.00 58.87 57.21 3krt n SER 238 Cb 0.25 0.84 0.27 0.00 -0.26 0.00 0.00 64.21 65.31 3krt n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3krt n GLY 239 N 1.48 -3.16 0.17 5.00 0.00 -0.83 -1.65 105.19 106.21 3krt n GLY 239 Ca 0.05 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 3krt n GLY 239 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3krt h GLY 240 N -3.01 -0.38 0.83 -0.02 0.00 -1.84 -0.04 103.07 98.60 3krt h GLY 240 Ca -0.41 0.14 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 3krt h GLY 240 CO 0.26 -0.14 -0.20 -2.00 0.00 0.00 0.00 176.54 174.46 3krt h LEU 241 N -0.38 0.52 -1.76 3.11 5.85 -1.89 -3.04 115.31 117.71 3krt h LEU 241 Ca -0.04 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.23 3krt h LEU 241 Cb 0.29 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3krt h LEU 241 CO 0.06 0.89 0.21 1.23 -0.34 0.00 0.00 178.44 180.50 3krt h GLY 242 N 0.15 0.35 2.00 3.75 0.00 -1.63 -1.90 103.07 105.80 3krt h GLY 242 Ca 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 3krt h GLY 242 CO 0.05 0.11 -0.21 1.48 0.00 0.00 0.00 176.54 177.97 3krt h SER 243 N 0.31 0.00 0.11 0.19 4.64 -0.59 -0.65 113.55 117.56 3krt h SER 243 Ca 0.13 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.10 3krt h SER 243 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3krt h SER 243 CO -0.03 0.21 -1.88 -1.22 -0.87 0.00 0.00 176.83 173.05 3krt n TYR 244 N -3.40 1.24 -0.23 4.77 4.01 -0.91 -3.67 117.16 118.97 3krt n TYR 244 Ca -0.00 0.30 0.03 0.00 -0.16 0.00 0.00 57.90 58.06 3krt n TYR 244 Cb 0.41 -1.16 0.14 0.00 -0.31 0.00 0.00 39.34 38.43 3krt n TYR 244 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3krt h ALA 245 N -0.02 0.87 -0.22 -0.72 0.00 -1.17 -0.49 119.26 117.50 3krt h ALA 245 Ca -0.41 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3krt h ALA 245 Cb 1.92 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 3krt h ALA 245 CO 0.04 -0.25 0.09 1.15 0.00 0.00 0.00 179.25 180.28 3krt h THR 246 N 0.36 1.17 -0.95 0.00 2.02 -1.28 -1.37 112.91 112.86 3krt h THR 246 Ca 0.36 -0.51 0.06 0.00 0.77 0.00 0.00 66.41 67.08 3krt h THR 246 Cb 0.53 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 3krt h THR 246 CO -0.39 0.17 0.62 1.56 0.37 0.00 0.00 175.52 177.85 3krt h GLN 247 N 0.21 1.09 -0.48 6.66 4.20 -1.52 -1.86 115.11 123.41 3krt h GLN 247 Ca 0.07 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 3krt h GLN 247 Cb 0.18 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3krt h GLN 247 CO -0.01 0.72 -0.20 0.74 -0.67 0.00 0.00 178.83 179.41 3krt h PHE 248 N 1.13 1.12 -0.65 2.96 0.04 -0.64 0.48 116.94 121.37 3krt h PHE 248 Ca 0.40 -0.26 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 3krt h PHE 248 Cb 0.13 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 3krt h PHE 248 CO -0.00 1.08 0.27 0.00 -0.60 0.00 0.00 178.31 179.06 3krt h ALA 249 N 0.91 0.84 0.15 2.45 0.00 -1.01 -0.70 119.26 121.90 3krt h ALA 249 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3krt h ALA 249 Cb 0.77 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3krt h ALA 249 CO 0.06 0.45 -0.07 -0.07 0.00 0.00 0.00 179.25 179.62 3krt h LEU 250 N 0.91 -0.17 -2.34 0.00 3.38 -1.22 0.41 115.31 116.27 3krt h LEU 250 Ca 0.22 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3krt h LEU 250 Cb 0.19 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3krt h LEU 250 CO -0.02 0.38 0.05 0.00 0.09 0.00 0.00 178.44 178.94 3krt h ALA 251 N -0.21 1.67 -0.06 1.53 0.00 -0.92 -0.90 119.26 120.37 3krt h ALA 251 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3krt h ALA 251 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3krt h ALA 251 CO 0.03 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.62 3krt n GLY 252 N -1.38 0.29 1.21 0.00 0.00 -0.27 -4.94 105.19 100.10 3krt n GLY 252 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3krt n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krt n GLY 253 N 1.21 0.67 4.01 -0.02 0.00 -0.34 -3.59 105.19 107.12 3krt n GLY 253 Ca 0.18 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 3krt n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krt s ALA 254 N -2.00 4.23 -0.35 4.61 0.00 0.14 -0.46 121.76 127.93 3krt s ALA 254 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.10 3krt s ALA 254 Cb 0.00 -1.74 0.09 0.00 0.00 0.00 0.00 23.12 21.46 3krt s ALA 254 CO 0.00 -1.03 0.08 -0.80 0.00 0.00 0.00 175.76 174.01 3krt s ASN 255 N -4.64 4.93 0.29 0.00 -0.87 0.13 -4.27 114.94 110.51 3krt s ASN 255 Ca 0.62 -1.84 -0.29 0.00 -1.57 0.00 0.00 52.86 49.78 3krt s ASN 255 Cb -0.06 -1.71 -0.10 0.00 -0.02 0.00 0.00 41.25 39.36 3krt s ASN 255 CO 0.40 -0.39 1.13 -2.16 -2.57 0.00 0.00 177.10 173.51 3krt s PRO 256 N 1.08 4.58 -0.42 -0.60 0.04 -1.26 -1.48 135.00 136.94 3krt s PRO 256 Ca 0.04 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 3krt s PRO 256 Cb -0.21 -3.15 0.10 0.00 0.04 0.00 0.00 34.50 31.28 3krt s PRO 256 CO -0.05 0.14 0.24 0.42 0.04 0.00 0.00 177.00 177.79 3krt s ILE 257 N -1.17 3.69 -0.18 0.56 -1.09 0.11 -4.21 121.20 118.90 3krt s ILE 257 Ca 0.45 -1.81 -0.22 0.00 -2.23 0.00 0.00 60.65 56.84 3krt s ILE 257 Cb -0.33 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 3krt s ILE 257 CO 0.42 -0.64 0.68 0.00 -1.23 0.00 0.00 174.94 174.18 3krt s VAL 259 N 1.86 5.37 0.33 0.00 1.01 0.05 -0.12 120.40 128.90 3krt s VAL 259 Ca 0.32 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.60 3krt s VAL 259 Cb -0.16 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3krt s VAL 259 CO 0.11 0.41 0.12 0.68 0.00 0.00 0.00 175.10 176.42 3krt s VAL 260 N 0.53 0.61 -0.88 2.92 -7.23 0.62 -1.77 120.40 115.20 3krt s VAL 260 Ca 0.10 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 3krt s VAL 260 Cb -0.12 -2.55 0.05 0.00 0.56 0.00 0.00 36.38 34.32 3krt s VAL 260 CO 0.00 0.00 0.70 -1.54 -0.31 0.00 0.00 175.10 173.96 3krt n SER 261 N -0.91 1.53 -3.46 4.85 3.41 -1.26 -0.72 113.62 117.06 3krt n SER 261 Ca -0.02 -1.26 -0.12 0.00 -0.26 0.00 0.00 58.87 57.21 3krt n SER 261 Cb 0.65 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.65 3krt n SER 261 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3krt s SER 262 N -0.68 -0.53 0.38 4.04 1.04 -1.26 -4.50 113.70 112.19 3krt s SER 262 Ca 0.08 -0.05 0.08 0.00 0.48 0.00 0.00 55.95 56.54 3krt s SER 262 Cb 0.06 0.60 0.77 0.00 0.10 0.00 0.00 66.02 67.55 3krt s SER 262 CO 0.10 -0.98 1.93 -0.65 0.98 0.00 0.00 173.24 174.62 3krt h PRO 263 N 2.02 0.32 -0.20 4.02 0.11 -1.99 -1.78 132.00 134.51 3krt h PRO 263 Ca -0.33 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.56 3krt h PRO 263 Cb 1.30 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3krt h PRO 263 CO 0.38 0.40 -0.52 0.37 -0.21 0.00 0.00 178.00 178.42 3krt h GLN 264 N 0.31 0.55 -0.67 1.05 4.15 -2.00 -2.09 115.11 116.42 3krt h GLN 264 Ca 0.07 -0.33 -0.05 0.00 0.77 0.00 0.00 58.65 59.10 3krt h GLN 264 Cb 0.31 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 3krt h GLN 264 CO 0.01 0.94 0.22 0.87 -1.93 0.00 0.00 178.83 178.94 3krt h LYS 265 N 0.43 1.03 -0.95 1.69 1.57 -1.92 -2.54 116.57 115.88 3krt h LYS 265 Ca 0.02 -0.22 0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3krt h LYS 265 Cb 1.05 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.14 3krt h LYS 265 CO 0.10 0.89 0.60 0.00 -0.57 0.00 0.00 179.45 180.47 3krt h ALA 266 N 1.09 1.34 -0.25 3.86 0.00 -1.08 -2.11 119.26 122.11 3krt h ALA 266 Ca 0.22 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3krt h ALA 266 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3krt h ALA 266 CO -0.01 0.34 -0.24 0.93 0.00 0.00 0.00 179.25 180.27 3krt h GLU 267 N 1.07 0.46 -0.45 0.00 4.39 -1.12 -2.29 114.58 116.65 3krt h GLU 267 Ca 0.43 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 3krt h GLU 267 Cb 0.23 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3krt h GLU 267 CO -0.19 0.67 0.27 0.82 -1.16 0.00 0.00 179.01 179.42 3krt h ILE 268 N 0.41 1.14 -0.92 3.13 1.08 -0.99 -1.25 117.51 120.11 3krt h ILE 268 Ca 0.06 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3krt h ILE 268 Cb 0.64 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 3krt h ILE 268 CO 0.05 0.14 0.57 0.00 -0.69 0.00 0.00 178.15 178.21 3krt h ARG 270 N 1.26 0.63 -0.50 0.00 3.08 -1.14 -1.89 114.38 115.82 3krt h ARG 270 Ca 0.33 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 3krt h ARG 270 Cb -0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3krt h ARG 270 CO -0.07 0.70 -0.03 0.00 -1.07 0.00 0.00 179.97 179.50 3krt h ALA 271 N 1.34 1.00 0.00 0.04 0.00 -0.92 -2.26 119.26 118.47 3krt h ALA 271 Ca 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3krt h ALA 271 Cb 0.47 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3krt h ALA 271 CO 0.02 0.61 -0.10 0.52 0.00 0.00 0.00 179.25 180.30 3krt h MET 272 N 0.79 0.00 0.00 0.00 2.86 -0.98 -3.47 114.93 114.14 3krt h MET 272 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3krt h MET 272 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3krt h MET 272 CO 0.03 0.10 0.00 0.41 1.06 0.00 0.00 176.91 178.50 3krt n GLY 273 N -0.22 1.44 3.84 8.32 0.00 -0.84 -4.98 105.19 112.75 3krt n GLY 273 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3krt n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krt s ALA 274 N -2.00 3.18 -0.02 4.61 0.00 -0.77 -4.99 121.76 121.76 3krt s ALA 274 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.17 3krt s ALA 274 Cb 0.00 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 3krt s ALA 274 CO 0.00 0.18 -0.00 0.39 0.00 0.00 0.00 175.76 176.33 3krt n GLU 275 N -0.64 2.55 -3.01 0.00 1.02 -1.26 -4.25 120.64 115.04 3krt n GLU 275 Ca 0.05 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.76 3krt n GLU 275 Cb 0.54 -1.05 -0.05 0.00 -0.02 0.00 0.00 31.44 30.86 3krt n GLU 275 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3krt s ALA 276 N -2.05 3.29 -0.04 0.62 0.00 -1.26 -5.02 121.76 117.29 3krt s ALA 276 Ca -0.02 -1.80 0.04 0.00 0.00 0.00 0.00 51.96 50.18 3krt s ALA 276 Cb 0.01 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3krt s ALA 276 CO 0.08 -2.35 -0.15 0.42 0.00 0.00 0.00 175.76 173.76 3krt s ILE 277 N 3.23 1.26 -0.16 0.00 1.01 -1.26 -1.11 121.20 124.18 3krt s ILE 277 Ca 0.19 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3krt s ILE 277 Cb -0.19 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.20 3krt s ILE 277 CO 0.11 0.37 -0.19 -0.63 0.00 0.00 0.00 174.94 174.61 3krt s ILE 278 N 0.18 1.91 -0.51 2.92 1.01 0.83 -4.95 121.20 122.57 3krt s ILE 278 Ca -0.06 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 59.52 3krt s ILE 278 Cb -0.12 -1.72 0.04 0.00 0.01 0.00 0.00 42.46 40.67 3krt s ILE 278 CO 0.02 0.52 0.77 -0.62 0.00 0.00 0.00 174.94 175.63 3krt s ASP 279 N 1.17 6.30 0.47 3.58 -1.08 -1.26 -0.27 116.67 125.58 3krt s ASP 279 Ca 0.01 -0.55 0.27 0.00 -0.52 0.00 0.00 52.55 51.76 3krt s ASP 279 Cb -0.14 -2.36 0.93 0.00 -1.46 0.00 0.00 42.92 39.89 3krt s ASP 279 CO -0.08 -1.02 1.82 0.08 0.52 0.00 0.00 175.17 176.49 3krt h ARG 280 N 9.11 0.00 0.00 4.34 0.11 -1.25 -2.45 114.38 124.25 3krt h ARG 280 Ca -0.26 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.76 3krt h ARG 280 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 3krt h ARG 280 CO 1.01 0.12 -0.22 -0.91 0.10 0.00 0.00 179.97 180.08 3krt h ASN 281 N 0.00 0.18 -0.78 0.08 2.35 -1.79 -2.15 115.58 113.47 3krt h ASN 281 Ca -0.00 -0.80 0.11 0.00 -0.55 0.00 0.00 56.30 55.06 3krt h ASN 281 Cb 0.74 -0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.98 3krt h ASN 281 CO 0.02 0.96 0.40 0.00 -1.65 0.00 0.00 177.43 177.16 3krt h ALA 282 N 0.23 1.11 0.00 -0.83 0.00 -1.84 0.17 119.26 118.09 3krt h ALA 282 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3krt h ALA 282 Cb 1.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3krt h ALA 282 CO 0.04 -0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.66 3krt n GLU 283 N -4.84 0.24 -3.52 0.00 -0.58 -0.93 -4.95 120.64 106.06 3krt n GLU 283 Ca 0.13 0.33 -0.21 0.00 -0.42 0.00 0.00 57.16 56.99 3krt n GLU 283 Cb 0.32 -1.85 0.08 0.00 -0.57 0.00 0.00 31.44 29.42 3krt n GLU 283 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3krt n GLY 284 N 0.63 -0.46 3.69 0.62 0.00 0.05 -4.93 105.19 104.78 3krt n GLY 284 Ca 0.04 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3krt n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3krt s TYR 285 N -3.32 2.44 -0.57 1.61 2.02 -1.02 -4.95 117.35 113.55 3krt s TYR 285 Ca 0.40 0.31 0.04 0.00 -0.37 0.00 0.00 57.07 57.45 3krt s TYR 285 Cb -0.18 -3.98 0.14 0.00 -0.40 0.00 0.00 41.96 37.55 3krt s TYR 285 CO 0.71 -3.93 0.34 -0.98 -1.57 0.00 0.00 175.55 170.13 3krt s ARG 286 N 2.56 2.04 0.50 -0.62 1.04 -1.26 -4.94 118.95 118.27 3krt s ARG 286 Ca 0.74 -2.79 0.28 0.00 -1.04 0.00 0.00 55.73 52.92 3krt s ARG 286 Cb -0.41 -3.21 1.27 0.00 -2.04 0.00 0.00 34.95 30.57 3krt s ARG 286 CO 0.33 -1.18 1.97 0.74 -0.04 0.00 0.00 175.30 177.12 3krt h PHE 287 N 6.13 0.00 -3.73 5.89 0.04 -1.88 -3.39 116.94 119.99 3krt h PHE 287 Ca 0.01 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.10 3krt h PHE 287 Cb 0.85 0.00 -0.33 0.00 2.20 0.00 0.00 35.95 38.67 3krt h PHE 287 CO 0.56 0.14 -0.73 -1.58 -0.60 0.00 0.00 178.31 176.11 3krt s TRP 288 N -3.88 3.22 0.32 -0.55 0.52 -1.26 -0.36 118.94 116.95 3krt s TRP 288 Ca -0.01 -1.88 0.09 0.00 0.02 0.00 0.00 56.10 54.33 3krt s TRP 288 Cb 0.11 -2.07 0.52 0.00 -1.15 0.00 0.00 33.47 30.88 3krt s TRP 288 CO 0.59 -0.80 1.72 -0.22 0.02 0.00 0.00 176.95 178.26 3krt h LYS 289 N 7.97 0.11 -3.36 4.98 3.64 -1.30 -3.46 116.57 125.14 3krt h LYS 289 Ca -0.23 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 58.96 3krt h LYS 289 Cb 1.07 -0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.68 3krt h LYS 289 CO 0.53 0.53 -0.43 0.34 -2.27 0.00 0.00 179.45 178.16 3krt s ASP 290 N -6.89 -0.05 0.60 4.20 -1.08 -0.82 -4.99 116.67 107.64 3krt s ASP 290 Ca -0.03 -0.09 0.28 0.00 -0.52 0.00 0.00 52.55 52.19 3krt s ASP 290 Cb 0.14 0.25 1.41 0.00 -1.46 0.00 0.00 42.92 43.25 3krt s ASP 290 CO 0.75 -0.38 1.81 -0.08 0.52 0.00 0.00 175.17 177.80 3krt h GLU 291 N 4.24 0.00 -0.00 4.34 4.81 -2.03 0.42 114.58 126.36 3krt h GLU 291 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3krt h GLU 291 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3krt h GLU 291 CO 0.40 0.00 -0.47 0.09 -0.73 0.00 0.00 179.01 178.30 3krt n ASN 292 N -3.56 0.48 -3.93 1.04 3.02 -1.26 -5.02 115.26 106.03 3krt n ASN 292 Ca 0.09 -0.74 -0.25 0.00 -0.03 0.00 0.00 54.58 53.65 3krt n ASN 292 Cb 0.76 1.00 -0.17 0.00 -0.61 0.00 0.00 39.78 40.76 3krt n ASN 292 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3krt s THR 293 N -1.94 0.98 0.35 3.41 2.01 0.14 -5.11 115.64 115.48 3krt s THR 293 Ca 0.04 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 3krt s THR 293 Cb 0.08 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.54 3krt s THR 293 CO 0.41 0.35 0.71 -1.10 -0.69 0.00 0.00 174.62 174.29 3krt s GLN 294 N 1.37 3.82 -0.35 4.92 -0.21 -1.26 -1.08 119.66 126.87 3krt s GLN 294 Ca -0.02 0.43 -0.04 0.00 0.02 0.00 0.00 55.36 55.75 3krt s GLN 294 Cb -0.14 -2.46 0.06 0.00 1.00 0.00 0.00 33.01 31.47 3krt s GLN 294 CO -0.04 0.09 0.11 0.34 -2.12 0.00 0.00 175.29 173.67 3krt s ASP 295 N -2.85 5.20 0.42 5.90 -1.08 0.52 -4.73 116.67 120.05 3krt s ASP 295 Ca 0.51 -1.45 0.14 0.00 -0.52 0.00 0.00 52.55 51.23 3krt s ASP 295 Cb -0.10 -1.82 0.89 0.00 -1.46 0.00 0.00 42.92 40.42 3krt s ASP 295 CO 0.26 -0.38 1.92 -0.65 0.52 0.00 0.00 175.17 176.84 3krt h PRO 296 N 8.13 0.00 0.00 4.34 0.11 -1.95 -1.97 132.00 140.66 3krt h PRO 296 Ca -0.20 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 3krt h PRO 296 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3krt h PRO 296 CO 0.62 0.26 -0.02 0.87 -0.21 0.00 0.00 178.00 179.52 3krt h LYS 297 N 0.00 0.00 0.18 1.05 1.79 -1.97 -0.28 116.57 117.34 3krt h LYS 297 Ca -0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 3krt h LYS 297 Cb 0.47 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.13 3krt h LYS 297 CO 0.03 0.02 -1.55 0.93 -1.08 0.00 0.00 179.45 177.81 3krt h GLU 298 N 0.00 0.38 -0.27 3.15 4.39 -1.66 -1.65 114.58 118.91 3krt h GLU 298 Ca -0.00 -0.65 0.07 0.00 0.34 0.00 0.00 59.36 59.12 3krt h GLU 298 Cb 0.06 0.24 -0.07 0.00 -0.10 0.00 0.00 28.75 28.88 3krt h GLU 298 CO 0.00 1.28 -0.23 -1.49 -1.16 0.00 0.00 179.01 177.42 3krt h TRP 299 N 0.10 -0.60 -0.84 4.33 6.55 -1.35 -0.93 115.95 123.22 3krt h TRP 299 Ca -0.26 0.04 0.01 0.00 0.95 0.00 0.00 58.89 59.62 3krt h TRP 299 Cb 2.08 0.31 -0.04 0.00 -0.86 0.00 0.00 29.16 30.65 3krt h TRP 299 CO 0.09 -0.30 0.55 0.87 -1.05 0.00 0.00 178.44 178.60 3krt h LYS 300 N -0.22 1.12 -0.51 0.49 1.57 -1.08 -0.69 116.57 117.26 3krt h LYS 300 Ca 0.15 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3krt h LYS 300 Cb 0.44 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3krt h LYS 300 CO -0.40 0.75 0.01 -0.09 -0.57 0.00 0.00 179.45 179.15 3krt h ARG 301 N 1.15 0.84 -0.30 3.15 2.43 -0.98 -1.19 114.38 119.48 3krt h ARG 301 Ca 0.31 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3krt h ARG 301 Cb -0.11 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3krt h ARG 301 CO -0.06 0.84 -0.00 0.35 -1.51 0.00 0.00 179.97 179.58 3krt h PHE 302 N 0.79 0.58 -0.36 2.20 3.57 -0.74 -2.30 116.94 120.68 3krt h PHE 302 Ca 0.15 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3krt h PHE 302 Cb 0.46 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3krt h PHE 302 CO 0.03 0.67 0.14 0.78 -2.23 0.00 0.00 178.31 177.70 3krt h GLY 303 N 0.33 0.54 0.88 2.40 0.00 -0.88 -0.62 103.07 105.72 3krt h GLY 303 Ca 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3krt h GLY 303 CO 0.02 0.24 0.08 1.70 0.00 0.00 0.00 176.54 178.57 3krt h LYS 304 N 0.50 0.34 -0.21 4.80 3.64 -1.06 -1.07 116.57 123.51 3krt h LYS 304 Ca 0.12 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3krt h LYS 304 Cb 0.11 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3krt h LYS 304 CO -0.01 0.42 0.08 -0.09 -2.27 0.00 0.00 179.45 177.58 3krt h ARG 305 N 0.20 0.18 -0.27 1.90 9.65 -0.99 -1.18 114.38 123.86 3krt h ARG 305 Ca 0.07 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.01 3krt h ARG 305 Cb 0.21 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.68 3krt h ARG 305 CO -0.00 0.12 -0.28 0.82 2.80 0.00 0.00 179.97 183.42 3krt h ILE 306 N 0.18 0.32 0.00 1.20 2.04 -1.01 -2.35 117.51 117.89 3krt h ILE 306 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 3krt h ILE 306 Cb 0.05 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3krt h ILE 306 CO -0.09 0.00 -0.05 0.03 0.00 0.00 0.00 178.15 178.04 3krt h ARG 307 N -0.28 0.00 -0.55 2.37 3.08 -0.78 -0.37 114.38 117.84 3krt h ARG 307 Ca 0.14 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 3krt h ARG 307 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3krt h ARG 307 CO -0.43 0.05 -0.10 0.93 -1.07 0.00 0.00 179.97 179.36 3krt h GLU 308 N 0.00 1.04 -0.00 0.04 5.08 -0.71 0.24 114.58 120.25 3krt h GLU 308 Ca -0.00 -0.38 -0.18 0.00 -1.00 0.00 0.00 59.36 57.80 3krt h GLU 308 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3krt h GLU 308 CO 0.01 1.07 -0.81 -0.07 -1.00 0.00 0.00 179.01 178.20 3krt h LEU 309 N 0.92 0.16 -0.69 1.33 4.07 -0.70 -3.28 115.31 117.12 3krt h LEU 309 Ca 0.14 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3krt h LEU 309 Cb 0.67 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.36 3krt h LEU 309 CO 0.05 0.91 -0.39 0.35 -1.08 0.00 0.00 178.44 178.27 3krt n THR 310 N -3.66 0.00 -2.83 0.22 -2.24 -0.55 -4.94 114.28 100.28 3krt n THR 310 Ca -0.02 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 3krt n THR 310 Cb 0.77 0.80 0.03 0.00 -2.10 0.00 0.00 70.33 69.83 3krt n THR 310 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krt n GLY 311 N 1.39 0.38 0.66 3.38 0.00 -0.92 -4.15 105.19 105.94 3krt n GLY 311 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3krt n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krt n GLY 312 N -1.04 0.80 3.49 -0.02 0.00 0.79 -5.04 105.19 104.17 3krt n GLY 312 Ca -0.01 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 3krt n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3krt s GLU 313 N -0.66 2.15 0.66 1.61 2.02 -1.26 -5.03 118.70 118.18 3krt s GLU 313 Ca 0.00 -0.95 -0.03 0.00 0.02 0.00 0.00 54.97 54.01 3krt s GLU 313 Cb 0.00 -2.25 0.07 0.00 0.10 0.00 0.00 34.13 32.05 3krt s GLU 313 CO 0.00 0.55 0.93 -0.51 0.02 0.00 0.00 175.26 176.25 3krt s ASP 314 N -1.53 4.85 -0.14 -0.19 1.01 -1.26 -4.45 116.67 114.96 3krt s ASP 314 Ca 0.16 0.15 -0.29 0.00 0.71 0.00 0.00 52.55 53.27 3krt s ASP 314 Cb -0.11 -0.82 -0.01 0.00 1.01 0.00 0.00 42.92 42.99 3krt s ASP 314 CO 0.07 -1.51 1.06 -0.63 0.21 0.00 0.00 175.17 174.36 3krt s ILE 315 N -3.07 4.65 0.05 0.77 -1.09 -1.15 -4.69 121.20 116.66 3krt s ILE 315 Ca 0.61 1.95 -0.17 0.00 -2.23 0.00 0.00 60.65 60.81 3krt s ILE 315 Cb -0.10 -4.26 -0.21 0.00 -1.58 0.00 0.00 42.46 36.32 3krt s ILE 315 CO 0.43 -0.07 1.19 0.44 -1.23 0.00 0.00 174.94 175.70 3krt h ASP 316 N 7.33 0.70 -3.34 3.58 3.32 -1.45 0.19 116.42 126.76 3krt h ASP 316 Ca -0.27 -0.70 -0.44 0.00 0.02 0.00 0.00 57.03 55.64 3krt h ASP 316 Cb 1.12 -0.21 -0.36 0.00 0.22 0.00 0.00 39.33 40.10 3krt h ASP 316 CO 0.91 1.30 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.32 3krt s ILE 317 N -3.45 0.58 -0.25 0.35 1.01 -0.83 -1.02 121.20 117.58 3krt s ILE 317 Ca -0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 3krt s ILE 317 Cb 0.06 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 3krt s ILE 317 CO 0.86 0.27 0.26 -0.69 0.00 0.00 0.00 174.94 175.64 3krt s VAL 318 N 1.42 5.27 -0.88 2.92 1.01 -0.42 -0.18 120.40 129.54 3krt s VAL 318 Ca -0.03 0.37 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 3krt s VAL 318 Cb -0.13 -3.60 0.12 0.00 0.00 0.00 0.00 36.38 32.77 3krt s VAL 318 CO -0.03 0.25 1.09 0.12 0.00 0.00 0.00 175.10 176.53 3krt s PHE 319 N 1.56 3.05 0.34 5.22 5.36 0.71 -0.82 117.98 133.39 3krt s PHE 319 Ca 0.11 -1.25 -0.05 0.00 -0.96 0.00 0.00 56.93 54.79 3krt s PHE 319 Cb -0.15 -4.28 -0.05 0.00 -0.34 0.00 0.00 43.02 38.20 3krt s PHE 319 CO 0.08 -1.51 0.61 -1.21 -1.46 0.00 0.00 175.22 171.73 3krt s GLU 320 N 2.90 3.61 0.00 10.12 0.41 0.98 -3.47 118.70 133.26 3krt s GLU 320 Ca 0.30 0.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.89 3krt s GLU 320 Cb -0.07 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.69 3krt s GLU 320 CO -0.06 0.12 0.00 -2.39 -0.49 0.00 0.00 175.26 172.44 3krt n HIS 321 N -1.29 0.00 0.19 1.61 1.44 -1.26 -3.38 115.22 112.53 3krt n HIS 321 Ca -0.01 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.76 3krt n HIS 321 Cb 0.54 0.00 0.33 0.00 0.12 0.00 0.00 29.99 30.99 3krt n HIS 321 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 3krt h PRO 322 N 0.00 0.00 0.00 -1.40 0.11 -1.92 -0.92 132.00 127.87 3krt h PRO 322 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3krt h PRO 322 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3krt h PRO 322 CO 0.00 0.35 0.00 0.41 -0.21 0.00 0.00 178.00 178.55 3krt n GLY 323 N 0.32 0.68 0.28 -0.55 0.00 -1.26 0.26 105.19 104.93 3krt n GLY 323 Ca 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 44.95 3krt n GLY 323 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3krt h ARG 324 N 0.00 0.07 -0.58 1.61 2.43 -1.35 0.16 114.38 116.72 3krt h ARG 324 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3krt h ARG 324 Cb 0.00 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3krt h ARG 324 CO 0.00 0.05 0.31 1.49 -1.51 0.00 0.00 179.97 180.31 3krt h GLU 325 N 0.07 0.82 0.00 0.20 4.22 -1.85 -3.23 114.58 114.81 3krt h GLU 325 Ca 0.41 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.75 3krt h GLU 325 Cb 0.72 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3krt h GLU 325 CO -0.71 0.63 -1.09 0.25 -2.18 0.00 0.00 179.01 175.92 3krt n THR 326 N -4.58 0.00 -0.15 0.32 -2.24 -0.84 -4.68 114.28 102.12 3krt n THR 326 Ca 0.04 -0.15 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 3krt n THR 326 Cb 0.09 0.79 0.15 0.00 -2.10 0.00 0.00 70.33 69.26 3krt n THR 326 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3krt h PHE 327 N 0.00 0.93 -0.47 4.78 3.57 -0.72 -0.26 116.94 124.76 3krt h PHE 327 Ca 0.00 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 3krt h PHE 327 Cb 0.53 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3krt h PHE 327 CO 0.00 0.80 0.26 0.78 -2.23 0.00 0.00 178.31 177.92 3krt h GLY 328 N 1.00 0.71 1.00 2.40 0.00 -1.76 -2.41 103.07 104.00 3krt h GLY 328 Ca 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3krt h GLY 328 CO 0.01 0.30 0.38 0.00 0.00 0.00 0.00 176.54 177.23 3krt h ALA 329 N 1.11 0.84 -0.76 3.60 0.00 -1.69 -2.44 119.26 119.92 3krt h ALA 329 Ca 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3krt h ALA 329 Cb 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3krt h ALA 329 CO -0.03 0.34 0.51 0.77 0.00 0.00 0.00 179.25 180.84 3krt h SER 330 N 0.90 0.87 -0.41 0.00 0.02 -0.92 -2.34 113.55 111.67 3krt h SER 330 Ca 0.23 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 3krt h SER 330 Cb 0.01 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3krt h SER 330 CO -0.04 0.63 -0.08 0.58 -1.14 0.00 0.00 176.83 176.78 3krt h VAL 331 N 1.03 1.27 -0.34 2.27 2.07 -1.31 -3.07 116.25 118.17 3krt h VAL 331 Ca 0.28 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.68 3krt h VAL 331 Cb -0.11 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3krt h VAL 331 CO -0.06 0.39 0.11 0.15 0.02 0.00 0.00 177.57 178.18 3krt h PHE 332 N 0.59 0.20 0.00 1.57 3.57 -1.20 -3.16 116.94 118.51 3krt h PHE 332 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3krt h PHE 332 Cb 0.60 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.30 3krt h PHE 332 CO 0.05 0.08 -0.16 1.33 -2.23 0.00 0.00 178.31 177.38 3krt n VAL 333 N -5.03 0.14 -2.40 1.41 0.24 -0.90 -4.87 118.33 106.92 3krt n VAL 333 Ca 0.01 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.34 61.87 3krt n VAL 333 Cb 0.13 -0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 32.15 3krt n VAL 333 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3krt s THR 334 N -3.03 3.43 0.76 3.34 -4.23 -1.16 -2.95 115.64 111.79 3krt s THR 334 Ca 0.12 1.03 -0.15 0.00 -1.18 0.00 0.00 61.69 61.51 3krt s THR 334 Cb 0.17 -3.50 0.04 0.00 1.34 0.00 0.00 72.50 70.55 3krt s THR 334 CO 0.60 -0.06 1.09 -1.14 -0.54 0.00 0.00 174.62 174.57 3krt n ARG 335 N -0.52 0.41 -1.68 3.99 0.63 0.66 -4.78 116.66 115.37 3krt n ARG 335 Ca 0.07 0.20 -0.50 0.00 -0.92 0.00 0.00 57.85 56.71 3krt n ARG 335 Cb 0.50 -2.34 -0.05 0.00 0.45 0.00 0.00 32.46 31.01 3krt n ARG 335 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3krt n LYS 336 N -2.49 1.90 -0.91 -0.14 4.81 -1.26 -1.15 118.16 118.92 3krt n LYS 336 Ca 0.13 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3krt n LYS 336 Cb 0.50 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.07 3krt n LYS 336 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3krt n GLY 337 N 4.00 0.61 3.97 3.14 0.00 0.80 -4.99 105.19 112.72 3krt n GLY 337 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 3krt n GLY 337 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krt s GLY 338 N -1.99 1.76 -0.04 -0.02 0.00 -0.30 -4.89 107.32 101.85 3krt s GLY 338 Ca 0.00 -1.52 0.06 0.00 0.00 0.00 0.00 44.72 43.26 3krt s GLY 338 CO 0.00 -0.89 -0.23 -1.59 0.00 0.00 0.00 173.10 170.39 3krt s THR 339 N -3.38 1.84 -0.23 0.90 2.01 -0.19 -2.46 115.64 114.12 3krt s THR 339 Ca 0.68 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 3krt s THR 339 Cb -0.05 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 3krt s THR 339 CO 0.47 0.52 0.02 -0.63 -0.69 0.00 0.00 174.62 174.31 3krt s ILE 340 N -0.23 3.92 -0.14 1.82 1.09 0.51 -1.31 121.20 126.86 3krt s ILE 340 Ca 0.00 -0.31 -0.02 0.00 -1.10 0.00 0.00 60.65 59.23 3krt s ILE 340 Cb -0.12 -2.81 -0.02 0.00 -1.06 0.00 0.00 42.46 38.46 3krt s ILE 340 CO 0.02 0.38 -0.10 0.28 -0.10 0.00 0.00 174.94 175.42 3krt s THR 341 N 1.50 3.33 -0.02 2.92 -1.32 -0.00 0.11 115.64 122.16 3krt s THR 341 Ca 0.06 -0.56 0.07 0.00 -1.21 0.00 0.00 61.69 60.05 3krt s THR 341 Cb -0.15 -2.43 -0.02 0.00 -1.51 0.00 0.00 72.50 68.40 3krt s THR 341 CO 0.01 0.51 -0.23 -0.89 -2.21 0.00 0.00 174.62 171.80 3krt s THR 342 N 0.44 1.85 0.00 5.08 2.01 -0.50 -0.01 115.64 124.52 3krt s THR 342 Ca -0.07 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 60.92 3krt s THR 342 Cb -0.15 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 70.82 3krt s THR 342 CO 0.04 0.52 0.66 0.00 -0.69 0.00 0.00 174.62 175.15 3krt s ALA 344 N -0.42 -1.91 -0.41 0.00 0.00 -1.26 -4.84 121.76 112.92 3krt s ALA 344 Ca 0.00 0.32 0.09 0.00 0.00 0.00 0.00 51.96 52.37 3krt s ALA 344 Cb 0.00 0.54 0.32 0.00 0.00 0.00 0.00 23.12 23.98 3krt s ALA 344 CO 0.00 -1.05 0.85 0.43 0.00 0.00 0.00 175.76 175.98 3krt n SER 345 N -0.54 -0.62 0.06 0.00 7.64 -1.07 -4.23 113.62 114.86 3krt n SER 345 Ca -0.07 -3.23 0.03 0.00 1.01 0.00 0.00 58.87 56.62 3krt n SER 345 Cb 0.61 0.43 0.42 0.00 -1.01 0.00 0.00 64.21 64.67 3krt n SER 345 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3krt h THR 346 N 1.95 1.12 -0.00 0.44 1.35 -0.98 0.29 112.91 117.08 3krt h THR 346 Ca 0.01 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3krt h THR 346 Cb 1.01 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3krt h THR 346 CO 0.36 0.15 -0.02 -1.54 -0.25 0.00 0.00 175.52 174.22 3krt n SER 347 N -4.41 0.05 0.00 5.36 3.41 0.14 -4.96 113.62 113.21 3krt n SER 347 Ca 0.01 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3krt n SER 347 Cb 0.14 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3krt n SER 347 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3krt n GLY 348 N 1.32 4.07 0.03 5.00 0.00 0.09 -4.73 105.19 110.97 3krt n GLY 348 Ca 0.13 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.72 3krt n GLY 348 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3krt n TYR 349 N -0.09 0.22 -2.45 1.61 0.18 -1.25 -1.08 117.16 114.30 3krt n TYR 349 Ca 0.00 0.06 -0.39 0.00 1.88 0.00 0.00 57.90 59.45 3krt n TYR 349 Cb 0.00 -0.43 -0.03 0.00 -0.38 0.00 0.00 39.34 38.50 3krt n TYR 349 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3krt s MET 350 N -3.07 3.23 0.31 -3.48 -1.94 -1.26 -4.90 119.30 108.19 3krt s MET 350 Ca 0.09 -0.53 -0.27 0.00 -1.71 0.00 0.00 55.69 53.27 3krt s MET 350 Cb 0.16 -4.80 -0.09 0.00 2.01 0.00 0.00 34.83 32.11 3krt s MET 350 CO 0.70 -2.37 0.98 -1.01 -0.01 0.00 0.00 175.02 173.31 3krt s HIS 351 N 6.24 3.69 -0.06 -0.03 3.76 -1.26 -4.58 115.29 123.05 3krt s HIS 351 Ca 0.47 1.79 0.02 0.00 -0.15 0.00 0.00 55.06 57.19 3krt s HIS 351 Cb -0.05 -3.02 0.01 0.00 1.11 0.00 0.00 32.58 30.64 3krt s HIS 351 CO 0.03 0.04 -0.10 -2.00 -0.85 0.00 0.00 174.74 171.86 3krt s GLU 352 N -1.81 1.48 0.08 1.40 2.12 -1.26 -5.08 118.70 115.64 3krt s GLU 352 Ca 0.48 -0.34 -0.09 0.00 0.36 0.00 0.00 54.97 55.37 3krt s GLU 352 Cb -0.23 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 32.90 3krt s GLU 352 CO 0.29 0.01 0.20 1.52 -0.54 0.00 0.00 175.26 176.74 3krt s TYR 353 N 0.68 0.12 -0.54 5.30 -0.85 -1.26 -3.53 117.35 117.26 3krt s TYR 353 Ca -0.13 -0.52 -0.25 0.00 -0.52 0.00 0.00 57.07 55.65 3krt s TYR 353 Cb -0.15 -0.04 0.04 0.00 0.38 0.00 0.00 41.96 42.19 3krt s TYR 353 CO 0.03 -0.54 1.00 0.34 -1.52 0.00 0.00 175.55 174.86 3krt s ASP 354 N -2.76 6.39 0.27 -0.18 -1.08 -1.26 -4.93 116.67 113.12 3krt s ASP 354 Ca 0.04 -0.16 0.22 0.00 -0.52 0.00 0.00 52.55 52.13 3krt s ASP 354 Cb 0.04 -2.47 1.02 0.00 -1.46 0.00 0.00 42.92 40.05 3krt s ASP 354 CO -0.10 -1.25 1.68 -3.20 0.52 0.00 0.00 175.17 172.81 3krt n ASN 355 N 7.64 0.61 -0.06 -0.34 5.15 -1.26 -2.61 115.26 124.39 3krt n ASN 355 Ca 0.04 0.69 -0.10 0.00 -0.60 0.00 0.00 54.58 54.61 3krt n ASN 355 Cb 0.48 -0.80 -0.03 0.00 -0.53 0.00 0.00 39.78 38.89 3krt n ASN 355 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3krt h ARG 356 N 0.00 0.32 -0.43 1.20 3.08 -1.99 -0.49 114.38 116.06 3krt h ARG 356 Ca 0.00 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.09 3krt h ARG 356 Cb 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3krt h ARG 356 CO 0.00 0.30 0.30 1.88 -1.07 0.00 0.00 179.97 181.37 3krt h TYR 357 N 0.26 0.25 0.06 3.04 0.05 -1.90 -0.35 116.97 118.38 3krt h TYR 357 Ca 0.08 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 3krt h TYR 357 Cb 0.07 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.73 3krt h TYR 357 CO -0.03 0.13 -0.03 1.25 -1.05 0.00 0.00 178.16 178.43 3krt h LEU 358 N 0.25 -0.07 -0.26 3.88 5.85 -1.38 -3.21 115.31 120.36 3krt h LEU 358 Ca 0.20 -0.41 -0.14 0.00 0.84 0.00 0.00 57.88 58.36 3krt h LEU 358 Cb 0.46 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3krt h LEU 358 CO -0.04 0.61 -0.39 4.11 -0.34 0.00 0.00 178.44 182.39 3krt h TRP 359 N -0.97 0.90 0.00 1.25 0.09 -1.12 -0.20 115.95 115.90 3krt h TRP 359 Ca -0.01 -0.30 -0.06 0.00 0.09 0.00 0.00 58.89 58.61 3krt h TRP 359 Cb 0.48 -0.18 -0.01 0.00 0.08 0.00 0.00 29.16 29.53 3krt h TRP 359 CO 0.11 1.08 -0.30 0.52 0.09 0.00 0.00 178.44 179.95 3krt h MET 360 N 0.47 0.00 -0.19 0.12 2.86 -1.23 -2.73 114.93 114.24 3krt h MET 360 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3krt h MET 360 Cb 0.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.65 3krt h MET 360 CO 0.09 0.30 0.00 0.43 1.06 0.00 0.00 176.91 178.79 3krt n SER 361 N -3.65 3.01 -3.53 1.22 7.64 -1.21 -5.00 113.62 112.10 3krt n SER 361 Ca -0.01 -2.61 -0.25 0.00 1.01 0.00 0.00 58.87 57.00 3krt n SER 361 Cb 0.41 -0.35 0.05 0.00 -1.01 0.00 0.00 64.21 63.31 3krt n SER 361 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3krt n LEU 362 N -0.45 -2.80 -4.93 -3.43 4.77 -0.83 -0.14 117.00 109.19 3krt n LEU 362 Ca 0.14 -0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 55.33 3krt n LEU 362 Cb 0.62 -2.80 0.07 0.00 -2.33 0.00 0.00 43.42 38.98 3krt n LEU 362 CO 0.08 0.45 0.64 -0.54 -1.33 0.00 0.00 177.39 176.69 3krt s LYS 363 N -6.23 2.13 -0.04 3.23 1.02 -0.15 -3.46 119.74 116.24 3krt s LYS 363 Ca 0.53 -0.24 -0.02 0.00 0.02 0.00 0.00 55.97 56.26 3krt s LYS 363 Cb -0.25 -2.14 0.03 0.00 -0.52 0.00 0.00 37.83 34.95 3krt s LYS 363 CO 0.65 -1.30 0.10 0.50 -0.92 0.00 0.00 175.35 174.38 3krt s ARG 364 N -5.29 0.06 -0.20 1.68 3.52 -1.03 -4.80 118.95 112.88 3krt s ARG 364 Ca 0.61 0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 56.43 3krt s ARG 364 Cb -0.11 -0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.14 3krt s ARG 364 CO 0.45 -0.12 -0.05 0.42 -0.81 0.00 0.00 175.30 175.19 3krt s ILE 365 N 0.83 3.38 -0.21 4.11 1.01 -1.26 -0.36 121.20 128.69 3krt s ILE 365 Ca -0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 3krt s ILE 365 Cb -0.09 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 3krt s ILE 365 CO -0.03 0.44 -0.05 -0.63 0.00 0.00 0.00 174.94 174.67 3krt s ILE 366 N 1.23 3.36 0.13 2.92 1.01 0.12 -4.96 121.20 125.00 3krt s ILE 366 Ca 0.03 -0.50 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 3krt s ILE 366 Cb -0.14 -2.52 -0.07 0.00 0.01 0.00 0.00 42.46 39.74 3krt s ILE 366 CO -0.02 0.43 0.83 -0.83 0.00 0.00 0.00 174.94 175.36 3krt s GLY 367 N 1.37 2.93 0.03 6.18 0.00 -1.26 -1.41 107.32 115.16 3krt s GLY 367 Ca 0.05 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.18 3krt s GLY 367 CO -0.03 1.10 -0.04 -0.45 0.00 0.00 0.00 173.10 173.69 3krt s SER 368 N -0.59 0.40 -0.26 1.64 0.15 0.71 -4.91 113.70 110.85 3krt s SER 368 Ca 0.40 -0.64 -0.10 0.00 0.70 0.00 0.00 55.95 56.31 3krt s SER 368 Cb -0.23 0.11 0.10 0.00 -1.71 0.00 0.00 66.02 64.30 3krt s SER 368 CO 0.27 -0.36 0.57 -2.28 1.20 0.00 0.00 173.24 172.64 3krt s HIS 369 N -2.08 -1.07 0.00 3.44 2.46 -1.26 -4.02 115.29 112.75 3krt s HIS 369 Ca -0.09 1.97 0.00 0.00 0.47 0.00 0.00 55.06 57.41 3krt s HIS 369 Cb -0.05 0.59 0.00 0.00 -0.13 0.00 0.00 32.58 32.98 3krt s HIS 369 CO -0.03 -0.56 0.00 1.19 -2.47 0.00 0.00 174.74 172.87 3krt n PHE 370 N 5.10 0.00 -3.64 3.88 3.72 -1.26 -4.79 117.46 120.47 3krt n PHE 370 Ca -0.14 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.12 3krt n PHE 370 Cb 0.52 0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.99 3krt n PHE 370 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3krt s ALA 371 N -1.23 -1.53 0.87 4.37 0.00 -1.26 -4.24 121.76 118.73 3krt s ALA 371 Ca 0.00 1.57 -0.11 0.00 0.00 0.00 0.00 51.96 53.42 3krt s ALA 371 Cb 0.00 -0.74 0.11 0.00 0.00 0.00 0.00 23.12 22.49 3krt s ALA 371 CO 0.00 -0.31 1.10 0.54 0.00 0.00 0.00 175.76 177.09 3krt s ASN 372 N -0.09 3.64 0.42 0.00 2.20 -1.26 -4.79 114.94 115.07 3krt s ASN 372 Ca -0.03 1.70 0.14 0.00 -0.94 0.00 0.00 52.86 53.73 3krt s ASN 372 Cb -0.04 -2.36 0.90 0.00 -2.00 0.00 0.00 41.25 37.76 3krt s ASN 372 CO 0.03 -2.56 1.92 0.22 -2.94 0.00 0.00 177.10 173.77 3krt h TYR 373 N -1.50 0.00 -0.47 1.54 3.20 -1.95 -1.71 116.97 116.09 3krt h TYR 373 Ca -0.47 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.32 3krt h TYR 373 Cb 1.27 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 3krt h TYR 373 CO 0.48 0.26 -0.03 -0.09 -1.64 0.00 0.00 178.16 177.14 3krt h ARG 374 N 0.00 0.86 -0.36 1.82 2.43 -1.97 -0.21 114.38 116.95 3krt h ARG 374 Ca -0.00 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 58.83 3krt h ARG 374 Cb 0.47 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3krt h ARG 374 CO 0.03 0.92 0.01 0.93 -1.51 0.00 0.00 179.97 180.35 3krt h GLU 375 N 0.71 0.56 -0.11 0.20 5.08 -1.82 -1.77 114.58 117.43 3krt h GLU 375 Ca 0.13 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 3krt h GLU 375 Cb 0.55 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3krt h GLU 375 CO 0.03 0.58 -0.66 0.00 -1.00 0.00 0.00 179.01 177.96 3krt h ALA 376 N 1.48 0.65 -0.36 3.43 0.00 -1.06 -2.16 119.26 121.24 3krt h ALA 376 Ca 0.11 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3krt h ALA 376 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3krt h ALA 376 CO 0.01 0.73 0.07 2.35 0.00 0.00 0.00 179.25 182.42 3krt h TRP 377 N 0.31 0.62 -0.53 0.00 2.91 -0.66 -2.03 115.95 116.57 3krt h TRP 377 Ca -0.02 -0.08 -0.08 0.00 1.13 0.00 0.00 58.89 59.84 3krt h TRP 377 Cb 1.22 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.67 3krt h TRP 377 CO 0.04 0.63 0.01 0.93 -1.03 0.00 0.00 178.44 179.02 3krt h GLU 378 N 0.43 0.90 -0.16 2.65 5.08 -1.28 -0.43 114.58 121.77 3krt h GLU 378 Ca 0.11 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3krt h GLU 378 Cb 0.33 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3krt h GLU 378 CO 0.00 0.88 0.07 0.00 -1.00 0.00 0.00 179.01 178.97 3krt h ALA 379 N 1.17 0.21 -0.38 3.43 0.00 -1.31 -2.21 119.26 120.18 3krt h ALA 379 Ca 0.16 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3krt h ALA 379 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3krt h ALA 379 CO 0.02 -0.21 -0.17 -0.97 0.00 0.00 0.00 179.25 177.92 3krt h ASN 380 N 0.11 0.70 -0.91 0.00 -1.24 -1.19 -2.59 115.58 110.46 3krt h ASN 380 Ca 0.05 -0.22 0.07 0.00 0.71 0.00 0.00 56.30 56.91 3krt h ASN 380 Cb 0.15 -0.19 -0.06 0.00 0.73 0.00 0.00 38.32 38.95 3krt h ASN 380 CO -0.01 0.87 0.59 -0.09 -1.29 0.00 0.00 177.43 177.51 3krt h ARG 381 N 0.62 0.99 -0.53 6.67 2.43 -0.94 -0.38 114.38 123.26 3krt h ARG 381 Ca 0.10 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 3krt h ARG 381 Cb 0.64 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3krt h ARG 381 CO 0.05 0.66 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.04 3krt h LEU 382 N 1.02 0.92 -0.35 3.80 3.38 -1.02 0.45 115.31 123.51 3krt h LEU 382 Ca 0.39 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3krt h LEU 382 Cb 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3krt h LEU 382 CO -0.15 1.01 0.18 0.40 0.09 0.00 0.00 178.44 179.97 3krt h ILE 383 N 0.85 1.00 -0.08 1.22 1.08 -1.12 -1.43 117.51 119.03 3krt h ILE 383 Ca 0.15 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 3krt h ILE 383 Cb 0.57 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 3krt h ILE 383 CO 0.03 0.07 -0.07 0.00 -0.69 0.00 0.00 178.15 177.50 3krt h ALA 384 N 1.18 1.75 0.00 1.87 0.00 -0.56 -0.51 119.26 122.99 3krt h ALA 384 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3krt h ALA 384 Cb 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3krt h ALA 384 CO -0.09 0.19 0.00 1.63 0.00 0.00 0.00 179.25 180.98 3krt n LYS 385 N -4.39 0.08 -1.19 0.00 5.02 0.10 -4.90 118.16 112.87 3krt n LYS 385 Ca -0.02 0.11 -0.05 0.00 -2.02 0.00 0.00 58.31 56.33 3krt n LYS 385 Cb 0.18 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 3krt n LYS 385 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3krt n GLY 386 N 1.21 0.76 0.07 0.72 0.00 -0.20 -4.91 105.19 102.85 3krt n GLY 386 Ca 0.06 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 3krt n GLY 386 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3krt h ARG 387 N 0.00 0.05 -4.67 1.61 2.47 -1.49 -3.46 114.38 108.90 3krt h ARG 387 Ca -0.11 -0.09 -0.41 0.00 -1.26 0.00 0.00 59.98 58.11 3krt h ARG 387 Cb 0.38 0.03 -0.30 0.00 -1.65 0.00 0.00 29.97 28.43 3krt h ARG 387 CO 0.16 0.98 -0.78 0.42 0.56 0.00 0.00 179.97 181.31 3krt s ILE 388 N -2.68 0.74 -0.01 2.04 -1.09 -1.13 -4.82 121.20 114.26 3krt s ILE 388 Ca -0.01 -0.37 0.06 0.00 -2.23 0.00 0.00 60.65 58.10 3krt s ILE 388 Cb 0.09 -0.64 -0.03 0.00 -1.58 0.00 0.00 42.46 40.30 3krt s ILE 388 CO 0.83 0.22 -0.19 -1.00 -1.23 0.00 0.00 174.94 173.57 3krt s HIS 389 N -0.03 2.54 0.66 3.97 3.76 -1.26 -4.10 115.29 120.84 3krt s HIS 389 Ca 0.01 -0.27 -0.17 0.00 -0.15 0.00 0.00 55.06 54.47 3krt s HIS 389 Cb -0.06 -1.53 -0.02 0.00 1.11 0.00 0.00 32.58 32.09 3krt s HIS 389 CO -0.00 0.15 1.03 -0.35 -0.85 0.00 0.00 174.74 174.72 3krt n PRO 390 N 2.06 0.77 -2.63 8.40 -0.04 -1.26 -4.96 135.00 137.34 3krt n PRO 390 Ca -0.17 0.31 -0.22 0.00 -0.04 0.00 0.00 63.50 63.38 3krt n PRO 390 Cb 0.52 -2.26 -0.00 0.00 -0.04 0.00 0.00 33.50 31.71 3krt n PRO 390 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3krt n THR 391 N -2.11 2.02 -1.99 0.52 -2.24 -1.26 -4.76 114.28 104.46 3krt n THR 391 Ca 0.14 -4.59 -0.42 0.00 -2.27 0.00 0.00 64.05 56.91 3krt n THR 391 Cb 0.48 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 3krt n THR 391 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3krt s LEU 392 N -3.38 4.37 -0.02 3.22 1.43 -1.26 0.21 118.68 123.25 3krt s LEU 392 Ca 0.43 2.50 0.15 0.00 -1.03 0.00 0.00 54.13 56.18 3krt s LEU 392 Cb 0.39 -3.58 -0.23 0.00 0.03 0.00 0.00 46.19 42.80 3krt s LEU 392 CO -0.13 -0.80 0.36 -1.54 0.23 0.00 0.00 176.35 174.47 3krt n SER 393 N 4.41 1.48 -3.64 2.29 3.41 -0.16 -3.21 113.62 118.20 3krt n SER 393 Ca 0.14 -0.08 -0.08 0.00 -0.26 0.00 0.00 58.87 58.58 3krt n SER 393 Cb 0.40 1.62 -0.07 0.00 -0.26 0.00 0.00 64.21 65.90 3krt n SER 393 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3krt s LYS 394 N -2.98 0.62 -0.05 4.33 2.47 -1.24 -4.62 119.74 118.27 3krt s LYS 394 Ca -0.04 0.88 0.02 0.00 -1.56 0.00 0.00 55.97 55.26 3krt s LYS 394 Cb 0.10 0.22 0.02 0.00 -1.46 0.00 0.00 37.83 36.71 3krt s LYS 394 CO 0.62 -0.10 -0.09 0.08 0.16 0.00 0.00 175.35 176.03 3krt s VAL 395 N 0.87 0.86 0.24 4.02 1.01 -1.26 0.27 120.40 126.41 3krt s VAL 395 Ca -0.04 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.72 3krt s VAL 395 Cb -0.05 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 3krt s VAL 395 CO -0.10 0.29 -0.08 -0.31 0.00 0.00 0.00 175.10 174.90 3krt s TYR 396 N 0.71 2.58 0.69 5.22 1.51 -0.00 -4.97 117.35 123.08 3krt s TYR 396 Ca -0.12 -0.25 -0.10 0.00 -1.01 0.00 0.00 57.07 55.58 3krt s TYR 396 Cb -0.15 -1.18 0.02 0.00 -0.11 0.00 0.00 41.96 40.54 3krt s TYR 396 CO 0.02 0.60 1.07 -1.54 -1.11 0.00 0.00 175.55 174.59 3krt s SER 397 N -3.34 5.42 0.21 2.29 1.04 -1.26 -0.06 113.70 117.99 3krt s SER 397 Ca 0.29 1.03 -0.09 0.00 0.48 0.00 0.00 55.95 57.65 3krt s SER 397 Cb -0.07 -1.85 0.24 0.00 0.10 0.00 0.00 66.02 64.45 3krt s SER 397 CO 0.17 -1.32 1.80 0.25 0.98 0.00 0.00 173.24 175.12 3krt h LEU 398 N -0.59 0.53 -2.03 2.42 5.85 -1.31 -0.59 115.31 119.59 3krt h LEU 398 Ca -0.45 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.43 3krt h LEU 398 Cb 1.26 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3krt h LEU 398 CO 0.63 0.34 0.36 -0.33 -0.34 0.00 0.00 178.44 179.11 3krt h GLU 399 N 0.66 0.00 -0.52 1.25 5.08 -1.93 -2.11 114.58 117.01 3krt h GLU 399 Ca 0.30 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 3krt h GLU 399 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3krt h GLU 399 CO -0.19 0.00 0.02 -0.25 -1.00 0.00 0.00 179.01 177.59 3krt n ASP 400 N -4.19 5.27 -0.14 1.42 8.00 -0.23 -4.54 116.55 122.14 3krt n ASP 400 Ca 0.08 -2.99 0.01 0.00 0.71 0.00 0.00 54.79 52.60 3krt n ASP 400 Cb 0.56 -0.66 0.30 0.00 -0.02 0.00 0.00 41.12 41.30 3krt n ASP 400 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3krt h THR 401 N 3.40 1.17 -0.68 -3.53 2.02 -1.31 -0.91 112.91 113.06 3krt h THR 401 Ca 0.02 -0.36 0.14 0.00 0.77 0.00 0.00 66.41 66.98 3krt h THR 401 Cb 1.90 0.29 -0.10 0.00 -1.74 0.00 0.00 68.15 68.50 3krt h THR 401 CO 0.46 0.17 0.18 1.23 0.37 0.00 0.00 175.52 177.93 3krt h GLY 402 N 0.87 0.94 0.90 2.16 0.00 -1.84 0.15 103.07 106.26 3krt h GLY 402 Ca 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 3krt h GLY 402 CO -0.04 -0.14 0.06 -1.61 0.00 0.00 0.00 176.54 174.81 3krt h GLN 403 N 0.30 0.54 -0.90 4.80 5.75 -1.54 -1.97 115.11 122.10 3krt h GLN 403 Ca 0.37 -0.14 0.10 0.00 -0.15 0.00 0.00 58.65 58.83 3krt h GLN 403 Cb 0.58 -0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.99 3krt h GLN 403 CO -0.44 0.62 0.54 0.00 -2.65 0.00 0.00 178.83 176.89 3krt h ALA 404 N 0.90 1.30 -0.54 3.38 0.00 -0.78 0.11 119.26 123.63 3krt h ALA 404 Ca 0.10 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3krt h ALA 404 Cb 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3krt h ALA 404 CO 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 179.25 179.32 3krt h ALA 405 N 1.48 0.74 -0.46 0.00 0.00 -0.42 -2.40 119.26 118.21 3krt h ALA 405 Ca 0.43 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3krt h ALA 405 Cb 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3krt h ALA 405 CO -0.25 0.65 0.28 -0.92 0.00 0.00 0.00 179.25 179.01 3krt h TYR 406 N 0.89 0.60 -0.05 0.00 3.20 -0.87 -0.11 116.97 120.63 3krt h TYR 406 Ca 0.14 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3krt h TYR 406 Cb 0.67 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 3krt h TYR 406 CO 0.05 0.42 -0.03 -0.44 -1.64 0.00 0.00 178.16 176.53 3krt h ASP 407 N 0.61 0.06 0.20 -2.11 5.19 -0.51 -1.30 116.42 118.57 3krt h ASP 407 Ca 0.16 -0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.22 3krt h ASP 407 Cb -0.00 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 3krt h ASP 407 CO -0.03 0.10 -1.85 0.58 -3.12 0.00 0.00 179.24 174.92 3krt h VAL 408 N 0.07 0.80 -0.69 -1.35 2.07 -1.09 0.29 116.25 116.35 3krt h VAL 408 Ca 0.02 -2.47 0.09 0.00 0.82 0.00 0.00 66.70 65.16 3krt h VAL 408 Cb 0.09 2.62 -0.07 0.00 -1.52 0.00 0.00 31.29 32.41 3krt h VAL 408 CO 0.00 0.85 0.33 -0.74 0.02 0.00 0.00 177.57 178.04 3krt h HIS 409 N 0.08 0.60 -0.44 1.57 -0.00 -0.82 -2.03 115.15 114.10 3krt h HIS 409 Ca -0.37 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 3krt h HIS 409 Cb 2.06 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 29.30 3krt h HIS 409 CO 0.08 0.21 0.00 0.54 -0.00 0.00 0.00 177.93 178.76 3krt n ARG 410 N -4.88 2.76 -4.12 5.26 5.12 -0.51 -4.96 116.66 115.33 3krt n ARG 410 Ca 0.11 -1.90 -0.30 0.00 -1.93 0.00 0.00 57.85 53.83 3krt n ARG 410 Cb 0.27 -1.65 -0.04 0.00 -1.16 0.00 0.00 32.46 29.88 3krt n ARG 410 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3krt n ASN 411 N 0.71 -0.83 0.11 0.55 3.02 -0.77 -4.91 115.26 113.14 3krt n ASN 411 Ca 0.17 -1.07 -0.04 0.00 -0.03 0.00 0.00 54.58 53.61 3krt n ASN 411 Cb 0.61 -2.62 0.07 0.00 -0.61 0.00 0.00 39.78 37.23 3krt n ASN 411 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3krt h LEU 412 N -1.71 0.01 -9.31 3.41 4.07 -1.20 -3.46 115.31 107.12 3krt h LEU 412 Ca -0.63 -0.01 -0.60 0.00 0.08 0.00 0.00 57.88 56.73 3krt h LEU 412 Cb 1.38 -0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.99 3krt h LEU 412 CO 0.69 0.76 -0.73 -1.00 -1.08 0.00 0.00 178.44 177.09 3krt s HIS 413 N -3.30 2.39 0.35 1.13 3.76 -1.26 -5.12 115.29 113.24 3krt s HIS 413 Ca -0.01 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.60 3krt s HIS 413 Cb 0.12 -1.07 -0.03 0.00 1.11 0.00 0.00 32.58 32.71 3krt s HIS 413 CO 0.78 0.68 0.55 -0.65 -0.85 0.00 0.00 174.74 175.26 3krt s GLN 414 N -3.56 3.40 5.75 1.40 -1.52 -1.26 -4.96 119.66 118.91 3krt s GLN 414 Ca 0.31 -0.42 0.00 0.00 -1.95 0.00 0.00 55.36 53.29 3krt s GLN 414 Cb -0.05 -2.67 0.00 0.00 -0.22 0.00 0.00 33.01 30.07 3krt s GLN 414 CO 0.16 0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.72 3krt n GLY 415 N -1.80 1.80 3.75 3.09 0.00 -0.66 -4.26 105.19 107.12 3krt n GLY 415 Ca -0.04 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 3krt n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krt s LYS 416 N 0.00 2.82 -0.27 1.61 -0.14 0.13 -3.73 119.74 120.16 3krt s LYS 416 Ca 0.00 -0.70 -0.07 0.00 -1.36 0.00 0.00 55.97 53.83 3krt s LYS 416 Cb 0.00 -2.70 -0.01 0.00 -1.68 0.00 0.00 37.83 33.44 3krt s LYS 416 CO 0.00 0.57 0.08 0.08 -0.76 0.00 0.00 175.35 175.32 3krt s VAL 417 N -1.35 4.18 0.20 3.17 1.01 -1.26 -0.98 120.40 125.37 3krt s VAL 417 Ca 0.28 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3krt s VAL 417 Cb -0.12 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 3krt s VAL 417 CO 0.20 0.21 0.33 -0.83 0.00 0.00 0.00 175.10 175.01 3krt s GLY 418 N 1.57 1.42 -0.08 4.51 0.00 0.14 -2.18 107.32 112.70 3krt s GLY 418 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.62 3krt s GLY 418 CO 0.03 -1.16 -0.06 0.14 0.00 0.00 0.00 173.10 172.06 3krt s VAL 419 N -1.88 0.75 0.04 1.40 1.01 -0.54 -0.82 120.40 120.36 3krt s VAL 419 Ca 0.34 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 3krt s VAL 419 Cb -0.10 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3krt s VAL 419 CO 0.29 0.30 1.07 -0.76 0.00 0.00 0.00 175.10 176.00 3krt s LEU 420 N 1.40 4.38 0.00 3.92 1.43 0.91 -0.38 118.68 130.34 3krt s LEU 420 Ca -0.02 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 3krt s LEU 420 Cb -0.13 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3krt s LEU 420 CO -0.03 -0.33 0.00 0.00 0.23 0.00 0.00 176.35 176.21 3krt h LEU 422 N 0.00 0.30 -9.51 0.00 3.38 -0.74 -3.43 115.31 105.30 3krt h LEU 422 Ca 0.00 -0.23 -0.56 0.00 0.09 0.00 0.00 57.88 57.18 3krt h LEU 422 Cb 0.00 -0.09 0.05 0.00 0.09 0.00 0.00 40.66 40.71 3krt h LEU 422 CO 0.00 0.99 0.96 0.00 0.09 0.00 0.00 178.44 180.49 3krt n ALA 423 N -2.47 1.86 1.33 1.53 0.00 -0.92 -4.87 120.51 116.97 3krt n ALA 423 Ca -0.04 0.38 0.14 0.00 0.00 0.00 0.00 53.44 53.93 3krt n ALA 423 Cb 0.76 -2.47 0.69 0.00 0.00 0.00 0.00 19.45 18.43 3krt n ALA 423 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3krt n PRO 424 N 4.51 0.38 -3.69 0.00 -0.04 -1.26 -4.88 135.00 130.01 3krt n PRO 424 Ca 0.18 -0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 3krt n PRO 424 Cb 0.32 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 3krt n PRO 424 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3krt s GLU 425 N -2.65 1.24 0.74 0.54 -1.05 -1.26 -5.17 118.70 111.08 3krt s GLU 425 Ca 0.25 -0.63 -0.12 0.00 -0.15 0.00 0.00 54.97 54.32 3krt s GLU 425 Cb 0.20 0.46 0.04 0.00 -0.44 0.00 0.00 34.13 34.39 3krt s GLU 425 CO 0.49 -0.56 1.10 -1.21 0.95 0.00 0.00 175.26 176.02 3krt s GLU 426 N -3.42 2.41 0.00 -4.83 2.02 -1.26 -4.26 118.70 109.36 3krt s GLU 426 Ca 0.09 1.25 0.00 0.00 0.02 0.00 0.00 54.97 56.34 3krt s GLU 426 Cb -0.02 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.30 3krt s GLU 426 CO -0.01 -1.54 0.00 0.41 0.02 0.00 0.00 175.26 174.15 3krt n GLY 427 N -0.95 0.56 3.91 -1.39 0.00 -1.26 -5.02 105.19 101.05 3krt n GLY 427 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 3krt n GLY 427 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3krt s LEU 428 N 0.00 3.80 0.00 0.99 1.43 -1.26 -4.54 118.68 119.11 3krt s LEU 428 Ca 0.00 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 3krt s LEU 428 Cb 0.00 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.53 3krt s LEU 428 CO 0.00 -0.44 0.00 0.61 0.23 0.00 0.00 176.35 176.75 3krt n GLY 429 N -1.89 0.72 3.75 -3.19 0.00 -1.26 -2.00 105.19 101.32 3krt n GLY 429 Ca -0.01 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3krt n GLY 429 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3krt s VAL 430 N -2.00 4.73 -0.10 1.61 -7.23 -1.26 -4.70 120.40 111.46 3krt s VAL 430 Ca 0.00 1.59 0.09 0.00 -1.81 0.00 0.00 61.98 61.84 3krt s VAL 430 Cb 0.00 -4.09 -0.12 0.00 0.56 0.00 0.00 36.38 32.72 3krt s VAL 430 CO 0.00 0.38 0.04 0.54 -0.31 0.00 0.00 175.10 175.75 3krt n ARG 431 N 2.70 2.36 -3.72 4.82 1.74 0.17 -4.81 116.66 119.92 3krt n ARG 431 Ca -0.03 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.68 3krt n ARG 431 Cb 0.50 -1.25 -0.09 0.00 -1.02 0.00 0.00 32.46 30.60 3krt n ARG 431 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3krt s ASP 432 N -4.20 5.29 0.32 0.55 -1.08 -0.89 -4.94 116.67 111.73 3krt s ASP 432 Ca -0.05 -3.05 0.16 0.00 -0.52 0.00 0.00 52.55 49.10 3krt s ASP 432 Cb 0.03 -1.85 0.43 0.00 -1.46 0.00 0.00 42.92 40.07 3krt s ASP 432 CO 0.40 -0.32 1.61 0.03 0.52 0.00 0.00 175.17 177.42 3krt h ARG 433 N 6.77 0.00 -0.09 4.34 3.08 -1.87 -2.49 114.38 124.12 3krt h ARG 433 Ca 0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3krt h ARG 433 Cb 0.92 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 3krt h ARG 433 CO 0.73 0.47 -0.03 1.49 -1.07 0.00 0.00 179.97 181.56 3krt h GLU 434 N 0.00 0.18 -0.96 0.04 4.81 -1.99 -0.89 114.58 115.77 3krt h GLU 434 Ca -0.00 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3krt h GLU 434 Cb 1.11 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 3krt h GLU 434 CO 0.06 0.52 0.63 -0.22 -0.73 0.00 0.00 179.01 179.27 3krt h LYS 435 N -0.17 1.23 -0.20 1.92 3.64 -1.97 -2.23 116.57 118.79 3krt h LYS 435 Ca 0.02 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3krt h LYS 435 Cb 0.46 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3krt h LYS 435 CO 0.01 0.81 0.02 -0.09 -2.27 0.00 0.00 179.45 177.94 3krt h ARG 436 N 1.27 0.10 -0.16 1.90 2.43 -1.27 -2.48 114.38 116.16 3krt h ARG 436 Ca 0.36 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 3krt h ARG 436 Cb -0.09 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3krt h ARG 436 CO -0.09 0.06 -0.05 0.00 -1.51 0.00 0.00 179.97 178.38 3krt h ALA 437 N 1.15 1.62 -0.64 2.80 0.00 -0.99 0.82 119.26 124.03 3krt h ALA 437 Ca 0.09 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.97 3krt h ALA 437 Cb 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3krt h ALA 437 CO -0.13 0.28 0.43 0.37 0.00 0.00 0.00 179.25 180.20 3krt h GLN 438 N 0.24 0.40 0.00 0.00 4.15 -0.95 -3.28 115.11 115.67 3krt h GLN 438 Ca 0.05 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3krt h GLN 438 Cb 0.25 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3krt h GLN 438 CO 0.01 0.27 0.00 0.72 -1.93 0.00 0.00 178.83 177.90 3krt n HIS 439 N -4.47 0.00 -0.20 3.99 8.25 -0.47 -4.85 115.22 117.47 3krt n HIS 439 Ca 0.11 -0.17 0.01 0.00 -0.26 0.00 0.00 57.72 57.41 3krt n HIS 439 Cb 0.41 -0.02 0.11 0.00 1.12 0.00 0.00 29.99 31.61 3krt n HIS 439 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3krt h LEU 440 N 0.00 0.03 -0.55 2.41 5.85 -0.95 0.20 115.31 122.30 3krt h LEU 440 Ca 0.00 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3krt h LEU 440 Cb 0.26 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3krt h LEU 440 CO 0.00 0.03 0.28 0.44 -0.34 0.00 0.00 178.44 178.84 3krt h ASP 441 N 0.28 0.39 -0.40 1.25 5.19 -1.87 -0.23 116.42 121.04 3krt h ASP 441 Ca 0.31 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.70 3krt h ASP 441 Cb 0.45 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 3krt h ASP 441 CO -0.39 0.27 0.02 0.00 -3.12 0.00 0.00 179.24 176.02 3krt h ALA 442 N 1.30 0.53 -0.76 3.45 0.00 -1.47 -2.58 119.26 119.73 3krt h ALA 442 Ca 0.24 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3krt h ALA 442 Cb 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3krt h ALA 442 CO -0.17 0.29 0.50 0.82 0.00 0.00 0.00 179.25 180.69 3krt h ILE 443 N 0.52 1.07 -0.56 0.00 2.04 -0.21 -2.60 117.51 117.76 3krt h ILE 443 Ca 0.11 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3krt h ILE 443 Cb 0.44 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3krt h ILE 443 CO 0.02 0.16 0.00 0.59 0.00 0.00 0.00 178.15 178.91 3krt n ASN 444 N -4.47 3.87 0.15 1.72 3.02 -0.14 -4.55 115.26 114.86 3krt n ASN 444 Ca 0.10 -2.28 0.16 0.00 -0.03 0.00 0.00 54.58 52.54 3krt n ASN 444 Cb 0.17 -0.50 0.75 0.00 -0.61 0.00 0.00 39.78 39.59 3krt n ASN 444 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3krt h ARG 445 N 3.48 0.00 -0.00 3.52 3.08 -1.06 -2.37 114.38 121.03 3krt h ARG 445 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3krt h ARG 445 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3krt h ARG 445 CO 0.15 0.00 -0.72 1.19 -1.07 0.00 0.00 179.97 179.52 3krt n PHE 446 N -4.13 0.00 0.14 3.04 3.01 -1.26 -5.03 117.46 113.24 3krt n PHE 446 Ca 0.03 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.51 3krt n PHE 446 Cb 0.37 -0.08 0.07 0.00 -0.01 0.00 0.00 39.48 39.84 3krt n PHE 446 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31