#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krt n LEU 3 N 0.00 5.57 -5.01 1.04 4.77 -1.26 -4.94 117.00 117.17 3krt n LEU 3 Ca 0.00 0.97 -0.21 0.00 -0.03 0.00 0.00 56.01 56.75 3krt n LEU 3 Cb 0.00 -1.58 0.06 0.00 -2.33 0.00 0.00 43.42 39.58 3krt n LEU 3 CO 0.00 -0.59 0.38 0.42 -1.33 0.00 0.00 177.39 176.27 3krt s THR 4 N -1.29 2.34 0.30 -5.08 -4.23 -1.26 -4.23 115.64 102.20 3krt s THR 4 Ca 0.72 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 60.42 3krt s THR 4 Cb -0.41 -2.52 0.14 0.00 1.34 0.00 0.00 72.50 71.05 3krt s THR 4 CO 0.49 0.00 1.83 0.58 -0.54 0.00 0.00 174.62 176.98 3krt h VAL 5 N 0.01 1.22 -0.94 2.29 2.07 -1.97 -1.80 116.25 117.14 3krt h VAL 5 Ca -0.35 -0.87 0.16 0.00 0.82 0.00 0.00 66.70 66.46 3krt h VAL 5 Cb 1.28 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 3krt h VAL 5 CO 0.43 0.30 0.60 0.11 0.02 0.00 0.00 177.57 179.03 3krt h LYS 6 N 0.62 0.70 0.00 1.57 1.57 -1.99 -1.43 116.57 117.61 3krt h LYS 6 Ca 0.13 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 3krt h LYS 6 Cb 0.37 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3krt h LYS 6 CO 0.01 0.46 -0.54 -0.44 -0.57 0.00 0.00 179.45 178.37 3krt h ASP 7 N 0.72 0.00 0.00 0.86 3.32 -1.71 -0.81 116.42 118.79 3krt h ASP 7 Ca 0.49 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.39 3krt h ASP 7 Cb 0.79 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.35 3krt h ASP 7 CO -0.25 0.54 -0.57 0.40 -1.72 0.00 0.00 179.24 177.64 3krt h ILE 8 N 0.00 1.44 -0.53 0.35 2.04 -1.42 -2.18 117.51 117.21 3krt h ILE 8 Ca -0.01 -2.07 0.10 0.00 1.00 0.00 0.00 64.86 63.88 3krt h ILE 8 Cb 0.99 2.63 -0.08 0.00 -0.74 0.00 0.00 36.82 39.62 3krt h ILE 8 CO 0.07 0.60 0.07 0.25 0.00 0.00 0.00 178.15 179.14 3krt h LEU 9 N -0.15 -0.08 -0.26 1.44 6.46 -1.10 0.57 115.31 122.19 3krt h LEU 9 Ca -0.07 0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.72 3krt h LEU 9 Cb 1.29 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.38 3krt h LEU 9 CO 0.11 -0.02 -0.12 0.44 -0.62 0.00 0.00 178.44 178.24 3krt h ASP 10 N 0.19 0.55 -0.93 1.25 3.45 -1.26 -2.74 116.42 116.94 3krt h ASP 10 Ca 0.27 -0.41 0.01 0.00 0.43 0.00 0.00 57.03 57.34 3krt h ASP 10 Cb 0.39 -0.15 -0.05 0.00 -0.56 0.00 0.00 39.33 38.96 3krt h ASP 10 CO -0.38 0.83 0.62 0.00 -1.57 0.00 0.00 179.24 178.74 3krt h ALA 11 N 0.74 1.18 -0.27 3.45 0.00 -0.67 -1.60 119.26 122.09 3krt h ALA 11 Ca 0.06 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3krt h ALA 11 Cb 0.62 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3krt h ALA 11 CO 0.04 0.58 -0.07 0.82 0.00 0.00 0.00 179.25 180.61 3krt h ILE 12 N 1.26 0.72 -0.35 0.00 2.04 0.12 -3.25 117.51 118.05 3krt h ILE 12 Ca 0.34 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.10 3krt h ILE 12 Cb -0.14 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3krt h ILE 12 CO -0.08 0.00 -0.22 1.56 0.00 0.00 0.00 178.15 179.41 3krt h GLN 13 N -0.01 0.68 -6.80 2.37 4.20 -0.99 -3.45 115.11 111.12 3krt h GLN 13 Ca 0.13 -0.27 -0.53 0.00 0.06 0.00 0.00 58.65 58.05 3krt h GLN 13 Cb 0.21 -0.04 0.07 0.00 0.30 0.00 0.00 27.48 28.02 3krt h GLN 13 CO -0.28 0.85 0.77 -1.54 -0.67 0.00 0.00 178.83 177.96 3krt s SER 14 N -6.77 6.57 0.33 1.46 1.04 -0.90 -4.93 113.70 110.51 3krt s SER 14 Ca -0.08 2.78 0.26 0.00 0.48 0.00 0.00 55.95 59.38 3krt s SER 14 Cb 0.13 -2.63 0.78 0.00 0.10 0.00 0.00 66.02 64.39 3krt s SER 14 CO 0.82 -0.75 1.74 -0.65 0.98 0.00 0.00 173.24 175.39 3krt h PRO 15 N 4.54 0.00 -0.33 4.02 0.11 -1.90 -2.99 132.00 135.46 3krt h PRO 15 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3krt h PRO 15 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3krt h PRO 15 CO 0.75 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3krt n ASP 16 N -2.62 1.63 -4.60 -2.05 5.68 -1.26 -4.80 116.55 108.53 3krt n ASP 16 Ca 0.04 -2.03 -0.42 0.00 -0.50 0.00 0.00 54.79 51.88 3krt n ASP 16 Cb 0.41 -0.22 -0.05 0.00 -1.14 0.00 0.00 41.12 40.12 3krt n ASP 16 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3krt s SER 17 N -0.94 6.61 0.65 -1.12 0.01 -1.13 -5.05 113.70 112.74 3krt s SER 17 Ca 0.19 0.53 -0.08 0.00 1.31 0.00 0.00 55.95 57.90 3krt s SER 17 Cb 0.10 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.95 3krt s SER 17 CO 0.12 -0.65 1.00 0.42 0.41 0.00 0.00 173.24 174.54 3krt s THR 18 N 3.00 3.42 0.22 1.44 -4.23 -1.26 -4.91 115.64 113.32 3krt s THR 18 Ca 0.32 0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.91 3krt s THR 18 Cb -0.14 -3.41 0.20 0.00 1.34 0.00 0.00 72.50 70.49 3krt s THR 18 CO 0.14 -0.48 1.68 -0.65 -0.54 0.00 0.00 174.62 174.77 3krt h PRO 19 N -0.44 0.19 -0.26 3.99 0.11 -1.98 -1.77 132.00 131.84 3krt h PRO 19 Ca -0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 3krt h PRO 19 Cb 1.26 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3krt h PRO 19 CO 0.62 0.12 0.17 0.00 -0.21 0.00 0.00 178.00 178.71 3krt h ALA 20 N 1.55 1.88 0.55 -0.75 0.00 -1.94 -0.97 119.26 119.58 3krt h ALA 20 Ca 0.34 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3krt h ALA 20 Cb 0.56 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3krt h ALA 20 CO -0.49 0.09 -0.26 -0.44 0.00 0.00 0.00 179.25 178.15 3krt h ASP 21 N 0.29 -0.62 -0.77 0.00 3.32 -1.74 -1.88 116.42 115.03 3krt h ASP 21 Ca 0.10 -0.05 0.15 0.00 0.02 0.00 0.00 57.03 57.25 3krt h ASP 21 Cb 0.05 0.16 -0.10 0.00 0.22 0.00 0.00 39.33 39.66 3krt h ASP 21 CO -0.02 -0.27 0.30 0.40 -1.72 0.00 0.00 179.24 177.93 3krt h ILE 22 N -1.01 0.64 -0.38 0.35 1.08 -0.95 -0.63 117.51 116.60 3krt h ILE 22 Ca -0.08 -0.15 -0.07 0.00 -0.39 0.00 0.00 64.86 64.17 3krt h ILE 22 Cb 0.63 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 3krt h ILE 22 CO 0.12 0.08 -0.07 0.00 -0.69 0.00 0.00 178.15 177.60 3krt h ALA 23 N 1.56 1.18 0.00 1.87 0.00 -1.22 -2.64 119.26 120.02 3krt h ALA 23 Ca 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3krt h ALA 23 Cb 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3krt h ALA 23 CO -0.42 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3krt n ALA 24 N -2.48 2.01 -1.88 0.00 0.00 -0.29 -4.86 120.51 113.02 3krt n ALA 24 Ca 0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 3krt n ALA 24 Cb 0.31 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 3krt n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3krt s LEU 25 N -2.92 4.37 0.16 0.00 1.02 -0.93 -4.96 118.68 115.43 3krt s LEU 25 Ca 0.12 2.64 -0.32 0.00 0.02 0.00 0.00 54.13 56.59 3krt s LEU 25 Cb 0.14 -3.58 -0.11 0.00 0.02 0.00 0.00 46.19 42.66 3krt s LEU 25 CO 0.38 -0.88 1.71 -2.84 0.02 0.00 0.00 176.35 174.74 3krt s PRO 26 N 1.64 4.15 0.49 1.29 0.02 -1.26 -4.98 135.00 136.35 3krt s PRO 26 Ca 0.73 2.53 -0.23 0.00 0.02 0.00 0.00 61.00 64.04 3krt s PRO 26 Cb -0.44 -3.27 -0.06 0.00 0.02 0.00 0.00 34.50 30.75 3krt s PRO 26 CO 0.32 -0.74 1.28 -0.51 -0.33 0.00 0.00 177.00 177.02 3krt s LEU 27 N 1.70 3.97 0.78 -5.54 1.43 -1.26 -4.70 118.68 115.06 3krt s LEU 27 Ca 0.75 2.58 -0.11 0.00 -1.03 0.00 0.00 54.13 56.32 3krt s LEU 27 Cb -0.47 -4.20 0.06 0.00 0.03 0.00 0.00 46.19 41.61 3krt s LEU 27 CO 0.33 -1.21 1.10 -2.16 0.23 0.00 0.00 176.35 174.63 3krt s PRO 28 N -2.72 2.21 0.31 1.29 0.04 -1.26 -4.74 135.00 130.13 3krt s PRO 28 Ca 0.66 0.60 0.05 0.00 0.04 0.00 0.00 61.00 62.35 3krt s PRO 28 Cb -0.36 -1.94 0.52 0.00 0.04 0.00 0.00 34.50 32.76 3krt s PRO 28 CO 0.43 -1.52 1.77 0.93 0.04 0.00 0.00 177.00 178.65 3krt h GLU 29 N -1.02 0.39 -3.71 4.56 5.08 -1.92 -3.42 114.58 114.53 3krt h GLU 29 Ca -0.47 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 57.68 3krt h GLU 29 Cb 1.27 -0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.36 3krt h GLU 29 CO 0.60 0.60 -0.27 -1.54 -1.00 0.00 0.00 179.01 177.41 3krt s SER 30 N -6.83 -0.00 0.11 1.42 1.04 -1.26 -4.33 113.70 103.84 3krt s SER 30 Ca -0.06 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 55.77 3krt s SER 30 Cb 0.14 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 3krt s SER 30 CO 0.77 -0.83 -0.11 -0.72 0.98 0.00 0.00 173.24 173.33 3krt s TYR 31 N -3.89 1.18 0.12 5.02 -0.85 -0.07 -4.84 117.35 114.02 3krt s TYR 31 Ca 0.09 -0.62 -0.30 0.00 -0.52 0.00 0.00 57.07 55.72 3krt s TYR 31 Cb 0.03 -0.63 -0.06 0.00 0.38 0.00 0.00 41.96 41.68 3krt s TYR 31 CO -0.07 0.05 1.11 1.03 -1.52 0.00 0.00 175.55 176.15 3krt s ARG 32 N -2.75 4.54 -0.04 -3.49 0.52 -1.26 -0.80 118.95 115.67 3krt s ARG 32 Ca 0.07 1.69 -0.03 0.00 -0.52 0.00 0.00 55.73 56.94 3krt s ARG 32 Cb -0.04 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 32.13 3krt s ARG 32 CO 0.01 -0.04 0.10 0.00 0.02 0.00 0.00 175.30 175.39 3krt s ALA 33 N 0.33 -0.22 0.17 2.13 0.00 0.10 -1.56 121.76 122.71 3krt s ALA 33 Ca 0.53 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 3krt s ALA 33 Cb -0.28 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.53 3krt s ALA 33 CO 0.32 -0.08 1.13 0.42 0.00 0.00 0.00 175.76 177.56 3krt s ILE 34 N 0.39 3.81 0.08 0.00 -1.09 -0.02 -0.98 121.20 123.38 3krt s ILE 34 Ca -0.03 1.52 -0.08 0.00 -2.23 0.00 0.00 60.65 59.84 3krt s ILE 34 Cb -0.04 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 3krt s ILE 34 CO -0.02 0.24 0.16 -0.89 -1.23 0.00 0.00 174.94 173.20 3krt s THR 35 N -0.06 0.15 0.07 2.92 2.01 -0.57 -2.27 115.64 117.89 3krt s THR 35 Ca 0.51 -1.24 0.06 0.00 0.31 0.00 0.00 61.69 61.33 3krt s THR 35 Cb -0.30 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 3krt s THR 35 CO 0.35 -0.69 -0.16 0.54 -0.69 0.00 0.00 174.62 173.97 3krt s VAL 36 N -3.73 1.27 -0.14 3.82 0.11 -0.74 -1.60 120.40 119.39 3krt s VAL 36 Ca 0.04 -1.28 -0.03 0.00 -2.93 0.00 0.00 61.98 57.78 3krt s VAL 36 Cb 0.05 -1.18 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 3krt s VAL 36 CO -0.10 -0.12 -0.03 -1.00 -3.33 0.00 0.00 175.10 170.52 3krt s HIS 37 N -1.13 3.05 0.38 1.54 3.76 -1.26 -1.17 115.29 120.45 3krt s HIS 37 Ca 0.01 -0.16 0.07 0.00 -0.15 0.00 0.00 55.06 54.83 3krt s HIS 37 Cb -0.09 -1.91 0.78 0.00 1.11 0.00 0.00 32.58 32.47 3krt s HIS 37 CO 0.02 0.10 1.98 -0.22 -0.85 0.00 0.00 174.74 175.78 3krt h LYS 38 N 6.28 0.68 -1.46 1.40 3.64 -1.15 -1.71 116.57 124.24 3krt h LYS 38 Ca -0.37 -0.04 0.46 0.00 -1.27 0.00 0.00 60.65 59.44 3krt h LYS 38 Cb 1.19 -0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.74 3krt h LYS 38 CO 0.61 0.45 0.98 -0.44 -2.27 0.00 0.00 179.45 178.78 3krt h ASP 39 N 0.70 0.17 0.00 4.20 3.32 -1.95 -3.23 116.42 119.63 3krt h ASP 39 Ca 0.28 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3krt h ASP 39 Cb 0.22 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3krt h ASP 39 CO -0.09 -0.14 -0.05 -0.62 -1.72 0.00 0.00 179.24 176.63 3krt n GLU 40 N -4.50 1.17 0.30 3.56 1.02 -0.64 -4.72 120.64 116.82 3krt n GLU 40 Ca 0.38 -2.42 0.19 0.00 -0.02 0.00 0.00 57.16 55.29 3krt n GLU 40 Cb 1.56 -1.40 0.85 0.00 -0.02 0.00 0.00 31.44 32.44 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 0.67 0.05 -0.25 2.62 1.35 -1.66 -2.22 112.91 113.47 3krt h THR 41 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3krt h THR 41 Cb 1.03 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3krt h THR 41 CO 0.00 0.01 0.00 -0.62 -0.25 0.00 0.00 175.52 174.66 3krt n GLU 42 N -3.13 2.30 -0.33 4.72 -0.58 -1.26 -4.57 120.64 117.80 3krt n GLU 42 Ca -0.01 -1.95 0.19 0.00 -0.42 0.00 0.00 57.16 54.97 3krt n GLU 42 Cb 0.23 -1.48 0.40 0.00 -0.57 0.00 0.00 31.44 30.02 3krt n GLU 42 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3krt h MET 43 N 4.06 0.37 -0.59 3.49 4.05 -1.76 -1.98 114.93 122.57 3krt h MET 43 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3krt h MET 43 Cb 0.89 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 3krt h MET 43 CO 0.00 0.25 0.00 1.19 0.23 0.00 0.00 176.91 178.58 3krt n PHE 44 N -5.04 1.36 -1.64 1.39 3.01 -1.26 -5.00 117.46 110.28 3krt n PHE 44 Ca 0.28 -0.63 -0.53 0.00 1.01 0.00 0.00 57.45 57.58 3krt n PHE 44 Cb 0.83 -0.23 -0.06 0.00 -0.01 0.00 0.00 39.48 40.01 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 0.93 -0.39 -0.84 4.37 0.00 -0.75 -1.84 120.51 121.99 3krt n ALA 45 Ca 0.24 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.14 3krt n ALA 45 Cb 0.86 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 3.17 0.90 3.88 0.00 0.00 -1.26 -5.03 105.19 106.85 3krt n GLY 46 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 4.23 0.51 0.99 1.43 -0.77 -5.09 118.68 119.99 3krt s LEU 47 Ca 0.00 0.75 -0.20 0.00 -1.03 0.00 0.00 54.13 53.66 3krt s LEU 47 Cb 0.00 -3.44 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 3krt s LEU 47 CO 0.00 0.01 1.06 -1.61 0.23 0.00 0.00 176.35 176.04 3krt s GLU 48 N -2.65 3.64 0.23 1.70 0.41 -1.26 -4.94 118.70 115.82 3krt s GLU 48 Ca 0.43 1.41 -0.10 0.00 -0.41 0.00 0.00 54.97 56.31 3krt s GLU 48 Cb -0.12 -2.06 0.35 0.00 -1.78 0.00 0.00 34.13 30.52 3krt s GLU 48 CO 0.23 -0.58 1.62 1.15 -0.49 0.00 0.00 175.26 177.19 3krt h THR 49 N 1.36 0.30 0.00 3.63 2.02 -1.97 -0.33 112.91 117.93 3krt h THR 49 Ca -0.49 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 3krt h THR 49 Cb 1.23 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3krt h THR 49 CO 0.58 0.01 -0.00 0.08 0.37 0.00 0.00 175.52 176.56 3krt h ARG 50 N 0.04 0.00 -0.00 6.66 0.11 -1.98 -1.91 114.38 117.30 3krt h ARG 50 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 3krt h ARG 50 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 3krt h ARG 50 CO -0.71 0.00 -0.46 -0.25 0.10 0.00 0.00 179.97 178.65 3krt n ASP 51 N -3.10 0.51 -4.69 0.08 8.00 -0.15 -4.88 116.55 112.33 3krt n ASP 51 Ca -0.01 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.80 3krt n ASP 51 Cb 0.20 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.97 4.33 -0.36 -1.24 1.02 -0.72 -4.97 119.74 114.83 3krt s LYS 52 Ca 0.12 1.76 -0.05 0.00 0.02 0.00 0.00 55.97 57.82 3krt s LYS 52 Cb 0.18 -3.56 0.06 0.00 -0.52 0.00 0.00 37.83 33.99 3krt s LYS 52 CO 0.68 -0.48 0.13 0.34 -0.92 0.00 0.00 175.35 175.10 3krt s ASP 53 N 1.59 5.27 0.54 2.83 2.15 -1.26 -4.98 116.67 122.81 3krt s ASP 53 Ca 0.58 -1.41 0.28 0.00 0.43 0.00 0.00 52.55 52.43 3krt s ASP 53 Cb -0.27 -1.85 1.44 0.00 -0.30 0.00 0.00 42.92 41.94 3krt s ASP 53 CO 0.23 -0.39 1.95 -0.65 -0.17 0.00 0.00 175.17 176.14 3krt h PRO 54 N 8.17 0.00 0.00 4.34 0.11 -1.87 0.27 132.00 143.02 3krt h PRO 54 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3krt h PRO 54 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3krt h PRO 54 CO 0.63 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 3krt h ARG 55 N 0.00 0.00 0.00 1.05 3.08 -1.93 -1.72 114.38 114.86 3krt h ARG 55 Ca 0.31 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.27 3krt h ARG 55 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 3krt h ARG 55 CO -0.00 0.00 -0.96 0.87 -1.07 0.00 0.00 179.97 178.81 3krt h LYS 56 N 0.00 0.00 0.00 0.04 1.57 -1.32 -3.37 116.57 113.48 3krt h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3krt h LYS 56 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3krt h LYS 56 CO 0.00 0.22 -1.26 -1.13 -0.57 0.00 0.00 179.45 176.71 3krt n SER 57 N -2.92 1.41 -4.72 0.86 3.41 -0.92 -4.97 113.62 105.76 3krt n SER 57 Ca -0.03 -0.30 -0.40 0.00 -0.26 0.00 0.00 58.87 57.88 3krt n SER 57 Cb 0.70 1.40 -0.04 0.00 -0.26 0.00 0.00 64.21 66.00 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 -2.70 4.98 0.17 -1.33 1.01 -0.69 -4.42 121.20 118.22 3krt s ILE 58 Ca -0.01 1.56 0.10 0.00 0.00 0.00 0.00 60.65 62.29 3krt s ILE 58 Cb 0.09 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 3krt s ILE 58 CO 0.56 0.25 -0.18 -1.00 0.00 0.00 0.00 174.94 174.57 3krt s HIS 59 N 0.72 2.47 -0.37 3.97 3.76 -0.63 -4.95 115.29 120.25 3krt s HIS 59 Ca 0.40 -0.29 -0.09 0.00 -0.15 0.00 0.00 55.06 54.92 3krt s HIS 59 Cb -0.19 -1.25 0.04 0.00 1.11 0.00 0.00 32.58 32.30 3krt s HIS 59 CO 0.20 0.46 0.19 -1.17 -0.85 0.00 0.00 174.74 173.58 3krt s LEU 60 N -2.55 4.71 0.24 0.89 2.96 -1.26 -1.51 118.68 122.16 3krt s LEU 60 Ca 0.21 -1.15 0.09 0.00 -0.22 0.00 0.00 54.13 53.06 3krt s LEU 60 Cb -0.09 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 3krt s LEU 60 CO 0.11 -0.40 -0.03 -1.81 -1.32 0.00 0.00 176.35 172.90 3krt s ASP 61 N 1.63 4.47 -0.26 3.68 1.01 -0.15 -4.91 116.67 122.14 3krt s ASP 61 Ca 0.01 -0.62 -0.10 0.00 0.71 0.00 0.00 52.55 52.55 3krt s ASP 61 Cb -0.20 -0.81 -0.05 0.00 1.01 0.00 0.00 42.92 42.87 3krt s ASP 61 CO 0.05 0.03 0.16 -1.81 0.21 0.00 0.00 175.17 173.81 3krt s ASP 62 N -3.41 5.91 0.02 0.27 1.01 -1.26 0.02 116.67 119.24 3krt s ASP 62 Ca 0.29 0.01 0.05 0.00 0.71 0.00 0.00 52.55 53.61 3krt s ASP 62 Cb -0.07 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 3krt s ASP 62 CO 0.19 -0.00 -0.14 -0.69 0.21 0.00 0.00 175.17 174.73 3krt s VAL 63 N 1.45 1.12 0.52 -1.27 1.01 0.01 -4.86 120.40 118.39 3krt s VAL 63 Ca 0.07 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 3krt s VAL 63 Cb -0.15 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 3krt s VAL 63 CO 0.07 0.12 1.16 -2.16 0.00 0.00 0.00 175.10 174.29 3krt s PRO 64 N -0.85 3.43 0.11 2.72 0.04 -1.26 -0.89 135.00 138.30 3krt s PRO 64 Ca 0.03 1.70 -0.31 0.00 0.04 0.00 0.00 61.00 62.46 3krt s PRO 64 Cb -0.07 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 3krt s PRO 64 CO 0.01 -0.81 1.46 0.08 0.04 0.00 0.00 177.00 177.78 3krt s VAL 65 N -1.67 3.17 0.83 -0.36 1.01 -1.26 -4.88 120.40 117.25 3krt s VAL 65 Ca 0.70 0.80 -0.10 0.00 0.00 0.00 0.00 61.98 63.38 3krt s VAL 65 Cb -0.26 -3.51 0.10 0.00 0.00 0.00 0.00 36.38 32.70 3krt s VAL 65 CO 0.30 0.05 1.12 -2.16 0.00 0.00 0.00 175.10 174.41 3krt s PRO 66 N 1.40 1.71 0.16 2.72 0.04 -1.26 -4.97 135.00 134.80 3krt s PRO 66 Ca 0.67 1.34 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 3krt s PRO 66 Cb -0.38 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 3krt s PRO 66 CO 0.30 -2.08 1.47 -2.00 0.04 0.00 0.00 177.00 174.73 3krt s GLU 67 N -4.78 4.27 -0.08 4.56 2.12 -1.26 -5.00 118.70 118.53 3krt s GLU 67 Ca 0.64 2.24 -0.27 0.00 0.36 0.00 0.00 54.97 57.94 3krt s GLU 67 Cb -0.20 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 3krt s GLU 67 CO 0.57 -0.50 0.86 -1.17 -0.54 0.00 0.00 175.26 174.48 3krt s LEU 68 N 0.80 4.28 0.46 2.70 2.96 -1.26 -5.07 118.68 123.54 3krt s LEU 68 Ca 0.66 1.36 0.08 0.00 -0.22 0.00 0.00 54.13 56.01 3krt s LEU 68 Cb -0.41 -3.33 0.01 0.00 0.50 0.00 0.00 46.19 42.96 3krt s LEU 68 CO 0.33 -0.29 0.50 -0.83 -1.32 0.00 0.00 176.35 174.74 3krt s GLY 69 N 1.00 2.06 0.33 7.98 0.00 -1.26 -4.96 107.32 112.46 3krt s GLY 69 Ca 0.43 -1.79 -0.28 0.00 0.00 0.00 0.00 44.72 43.07 3krt s GLY 69 CO 0.19 -1.67 1.31 -1.05 0.00 0.00 0.00 173.10 171.88 3krt n PRO 70 N -1.76 2.14 -1.00 2.90 -0.02 -1.26 -2.79 135.00 133.21 3krt n PRO 70 Ca 0.06 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3krt n PRO 70 Cb 0.61 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 0.97 0.37 3.62 -1.23 0.00 -0.14 -4.87 105.19 103.91 3krt n GLY 71 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.54 2.07 0.07 1.61 2.02 -1.12 -0.63 118.70 122.18 3krt s GLU 72 Ca 0.00 -1.71 0.04 0.00 0.02 0.00 0.00 54.97 53.32 3krt s GLU 72 Cb 0.00 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 3krt s GLU 72 CO 0.00 0.18 -0.11 0.00 0.02 0.00 0.00 175.26 175.35 3krt s ALA 73 N -2.49 0.96 -0.12 5.21 0.00 0.66 -0.12 121.76 125.85 3krt s ALA 73 Ca 0.34 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 3krt s ALA 73 Cb -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3krt s ALA 73 CO 0.19 0.06 0.08 -0.51 0.00 0.00 0.00 175.76 175.59 3krt s LEU 74 N -1.83 4.05 -0.04 0.00 1.43 0.44 -1.29 118.68 121.43 3krt s LEU 74 Ca -0.03 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 3krt s LEU 74 Cb -0.09 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3krt s LEU 74 CO 0.01 0.36 -0.13 -0.69 0.23 0.00 0.00 176.35 176.13 3krt s VAL 75 N -0.73 1.14 -0.37 -1.59 1.01 0.08 -0.22 120.40 119.72 3krt s VAL 75 Ca 0.12 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 3krt s VAL 75 Cb -0.12 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.28 3krt s VAL 75 CO 0.03 0.34 1.07 0.00 0.00 0.00 0.00 175.10 176.54 3krt s ALA 76 N 0.25 3.38 -0.41 5.51 0.00 0.12 -1.52 121.76 129.10 3krt s ALA 76 Ca -0.06 -0.24 -0.23 0.00 0.00 0.00 0.00 51.96 51.43 3krt s ALA 76 Cb -0.12 -3.72 0.02 0.00 0.00 0.00 0.00 23.12 19.30 3krt s ALA 76 CO 0.02 -1.73 0.80 0.08 0.00 0.00 0.00 175.76 174.93 3krt s VAL 77 N 3.86 4.67 0.10 0.00 1.01 -0.28 -1.04 120.40 128.71 3krt s VAL 77 Ca 0.45 0.68 0.03 0.00 0.00 0.00 0.00 61.98 63.14 3krt s VAL 77 Cb -0.11 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.76 3krt s VAL 77 CO 0.21 -0.60 1.21 0.24 0.00 0.00 0.00 175.10 176.15 3krt h MET 78 N 8.75 0.09 -2.89 2.72 2.86 -1.42 -1.56 114.93 123.49 3krt h MET 78 Ca -0.25 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.20 3krt h MET 78 Cb 1.09 0.06 -0.13 0.00 0.06 0.00 0.00 31.60 32.67 3krt h MET 78 CO 0.94 1.06 0.17 0.00 1.06 0.00 0.00 176.91 180.14 3krt s ALA 79 N -2.69 -1.54 0.00 6.32 0.00 -0.89 -1.24 121.76 121.73 3krt s ALA 79 Ca -0.01 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3krt s ALA 79 Cb 0.09 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.92 3krt s ALA 79 CO 0.84 -0.68 0.00 0.45 0.00 0.00 0.00 175.76 176.37 3krt n SER 80 N -0.13 0.00 -3.70 0.00 2.88 0.76 -0.89 113.62 112.54 3krt n SER 80 Ca -0.17 -0.23 -0.10 0.00 -1.33 0.00 0.00 58.87 57.04 3krt n SER 80 Cb 0.63 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.84 -0.22 -0.12 -3.46 1.04 -1.26 -1.23 113.70 109.29 3krt s SER 81 Ca 0.00 -0.42 -0.19 0.00 0.48 0.00 0.00 55.95 55.83 3krt s SER 81 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 3krt s SER 81 CO 0.00 -0.93 0.49 -0.69 0.98 0.00 0.00 173.24 173.09 3krt s VAL 82 N -3.84 5.18 0.25 5.02 1.01 -0.62 -4.60 120.40 122.80 3krt s VAL 82 Ca 0.06 0.99 0.11 0.00 0.00 0.00 0.00 61.98 63.14 3krt s VAL 82 Cb 0.01 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3krt s VAL 82 CO -0.08 0.32 -0.17 0.20 0.00 0.00 0.00 175.10 175.38 3krt s ASN 83 N 0.64 3.78 0.27 3.32 0.01 -1.26 -4.57 114.94 117.13 3krt s ASN 83 Ca 0.27 -0.90 -0.00 0.00 -0.71 0.00 0.00 52.86 51.52 3krt s ASN 83 Cb -0.15 -0.42 0.59 0.00 0.41 0.00 0.00 41.25 41.68 3krt s ASN 83 CO 0.11 0.05 1.72 1.88 -1.51 0.00 0.00 177.10 179.35 3krt h TYR 84 N 2.43 0.63 -0.45 2.20 0.99 -1.98 -1.26 116.97 119.52 3krt h TYR 84 Ca -0.42 0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.37 3krt h TYR 84 Cb 1.24 -0.15 -0.02 0.00 1.00 0.00 0.00 36.73 38.80 3krt h TYR 84 CO 0.75 0.04 0.30 -2.95 -0.00 0.00 0.00 178.16 176.30 3krt h ASN 85 N 0.47 0.45 -0.54 3.88 -1.07 -1.98 0.38 115.58 117.17 3krt h ASN 85 Ca 0.49 -0.01 -0.11 0.00 0.07 0.00 0.00 56.30 56.74 3krt h ASN 85 Cb 0.82 -0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 36.94 3krt h ASN 85 CO -0.45 0.32 -0.10 0.28 0.07 0.00 0.00 177.43 177.54 3krt h SER 86 N 0.53 1.02 -0.24 6.14 0.02 -1.64 -2.23 113.55 117.15 3krt h SER 86 Ca 0.18 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 3krt h SER 86 Cb 0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3krt h SER 86 CO -0.04 1.13 -0.03 0.58 -1.14 0.00 0.00 176.83 177.33 3krt h VAL 87 N 0.89 1.27 -0.52 2.27 2.07 -0.46 -2.28 116.25 119.49 3krt h VAL 87 Ca 0.14 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.69 3krt h VAL 87 Cb 0.67 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3krt h VAL 87 CO 0.05 0.31 0.34 0.45 0.02 0.00 0.00 177.57 178.74 3krt h HIS 88 N 0.19 0.63 0.00 1.57 3.86 -0.22 -2.05 115.15 119.12 3krt h HIS 88 Ca 0.06 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.15 3krt h HIS 88 Cb 0.47 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 3krt h HIS 88 CO 0.04 0.39 -0.66 0.00 0.86 0.00 0.00 177.93 178.56 3krt h THR 89 N 0.67 1.42 -0.87 2.45 1.03 -1.29 -1.60 112.91 114.72 3krt h THR 89 Ca 0.20 -2.29 0.11 0.00 -0.01 0.00 0.00 66.41 64.41 3krt h THR 89 Cb -0.03 2.25 -0.08 0.00 -1.07 0.00 0.00 68.15 69.23 3krt h THR 89 CO -0.05 0.65 0.51 0.28 -0.01 0.00 0.00 175.52 176.89 3krt h SER 90 N 0.00 0.71 -0.52 0.00 0.02 -0.77 -2.79 113.55 110.20 3krt h SER 90 Ca -0.01 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3krt h SER 90 Cb 1.20 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3krt h SER 90 CO 0.09 0.38 0.00 2.30 -1.14 0.00 0.00 176.83 178.45 3krt n ILE 91 N -4.74 0.85 -3.31 3.27 -5.35 -1.11 -4.68 119.36 104.28 3krt n ILE 91 Ca 0.16 -0.92 -0.24 0.00 -0.27 0.00 0.00 62.75 61.48 3krt n ILE 91 Cb 0.33 0.64 0.02 0.00 -1.74 0.00 0.00 39.64 38.89 3krt n ILE 91 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3krt n PHE 92 N 1.25 -2.00 -4.47 4.28 3.01 -0.75 -4.95 117.46 113.84 3krt n PHE 92 Ca 0.19 0.58 -0.32 0.00 1.01 0.00 0.00 57.45 58.91 3krt n PHE 92 Cb 0.55 -3.84 -0.11 0.00 -0.01 0.00 0.00 39.48 36.07 3krt n PHE 92 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3krt s GLU 93 N -5.99 2.48 0.30 -1.08 2.02 -0.68 -3.00 118.70 112.76 3krt s GLU 93 Ca 0.41 -0.77 0.06 0.00 0.02 0.00 0.00 54.97 54.69 3krt s GLU 93 Cb -0.20 -2.46 0.49 0.00 0.10 0.00 0.00 34.13 32.06 3krt s GLU 93 CO 0.50 0.59 1.74 -1.00 0.02 0.00 0.00 175.26 177.11 3krt h PRO 94 N 4.47 0.32 -5.18 0.39 0.13 -1.94 -3.42 132.00 126.77 3krt h PRO 94 Ca -0.48 -0.13 -0.40 0.00 -0.87 0.00 0.00 66.00 64.12 3krt h PRO 94 Cb 1.17 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 3krt h PRO 94 CO 0.53 0.61 -0.67 -0.51 -0.23 0.00 0.00 178.00 177.73 3krt s LEU 95 N -8.46 2.30 0.81 1.56 1.43 -1.16 -5.15 118.68 110.02 3krt s LEU 95 Ca -0.05 -1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 51.76 3krt s LEU 95 Cb 0.14 -0.36 0.08 0.00 0.03 0.00 0.00 46.19 46.08 3krt s LEU 95 CO 0.77 -0.44 1.12 -0.94 0.23 0.00 0.00 176.35 177.09 3krt s SER 96 N -3.31 3.96 0.41 2.29 1.04 -1.20 -4.77 113.70 112.12 3krt s SER 96 Ca 0.27 2.00 0.18 0.00 0.48 0.00 0.00 55.95 58.88 3krt s SER 96 Cb 0.05 -2.54 0.89 0.00 0.10 0.00 0.00 66.02 64.51 3krt s SER 96 CO 0.08 -2.41 1.86 0.71 0.98 0.00 0.00 173.24 174.46 3krt h THR 97 N -1.27 0.97 -0.97 2.02 1.35 -1.90 -3.34 112.91 109.78 3krt h THR 97 Ca -0.44 -1.16 0.10 0.00 -0.55 0.00 0.00 66.41 64.37 3krt h THR 97 Cb 1.25 1.67 -0.08 0.00 -1.73 0.00 0.00 68.15 69.27 3krt h THR 97 CO 0.48 0.30 0.62 -0.26 -0.25 0.00 0.00 175.52 176.41 3krt h PHE 98 N 0.00 1.10 -0.25 4.73 -1.00 -1.92 -2.62 116.94 116.98 3krt h PHE 98 Ca -0.00 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.84 3krt h PHE 98 Cb 0.65 -0.35 -0.07 0.00 3.61 0.00 0.00 35.95 39.79 3krt h PHE 98 CO 0.00 0.48 -0.52 0.78 -1.61 0.00 0.00 178.31 177.44 3krt h GLY 99 N 0.99 -1.10 0.62 -1.45 0.00 -1.98 0.33 103.07 100.49 3krt h GLY 99 Ca 0.46 0.70 0.07 0.00 0.00 0.00 0.00 47.33 48.56 3krt h GLY 99 CO -0.22 -0.19 0.34 -2.75 0.00 0.00 0.00 176.54 173.72 3krt h PHE 100 N -0.47 0.63 -0.75 5.60 3.57 -1.76 -1.24 116.94 122.53 3krt h PHE 100 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3krt h PHE 100 Cb 0.60 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 3krt h PHE 100 CO -0.65 0.28 0.47 -0.07 -2.23 0.00 0.00 178.31 176.12 3krt h LEU 101 N 0.63 0.87 -0.05 0.59 3.38 -0.94 0.12 115.31 119.92 3krt h LEU 101 Ca 0.30 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3krt h LEU 101 Cb 0.23 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3krt h LEU 101 CO -0.20 0.65 -0.00 -0.33 0.09 0.00 0.00 178.44 178.64 3krt h GLU 102 N 1.02 0.08 -0.34 1.13 5.08 0.14 -2.27 114.58 119.41 3krt h GLU 102 Ca 0.27 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 3krt h GLU 102 Cb -0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3krt h GLU 102 CO -0.06 0.38 -0.15 0.00 -1.00 0.00 0.00 179.01 178.18 3krt h ARG 103 N -0.22 0.71 0.00 2.33 3.08 -0.92 -2.51 114.38 116.85 3krt h ARG 103 Ca 0.01 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 3krt h ARG 103 Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3krt h ARG 103 CO 0.00 0.91 -0.29 -0.92 -1.07 0.00 0.00 179.97 178.60 3krt h TYR 104 N 0.49 0.00 -0.06 3.04 3.20 -1.09 -2.84 116.97 119.71 3krt h TYR 104 Ca 0.08 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3krt h TYR 104 Cb 0.69 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 3krt h TYR 104 CO 0.06 0.29 0.08 0.78 -1.64 0.00 0.00 178.16 177.73 3krt h GLY 105 N 1.86 0.00 2.00 1.82 0.00 -0.93 -1.59 103.07 106.22 3krt h GLY 105 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3krt h GLY 105 CO 0.04 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.79 3krt h ARG 106 N 0.00 0.00 0.06 4.80 3.08 -1.52 -3.24 114.38 117.56 3krt h ARG 106 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3krt h ARG 106 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3krt h ARG 106 CO -0.00 0.00 -0.07 0.28 -1.07 0.00 0.00 179.97 179.11 3krt h VAL 107 N 0.00 0.84 -3.18 2.04 2.07 -1.46 -3.48 116.25 113.08 3krt h VAL 107 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3krt h VAL 107 Cb 0.53 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3krt h VAL 107 CO 0.00 0.00 0.17 -0.94 0.02 0.00 0.00 177.57 176.82 3krt s SER 108 N -5.06 -0.01 0.26 0.57 1.04 -1.24 -5.00 113.70 104.26 3krt s SER 108 Ca -0.14 -0.97 -0.00 0.00 0.48 0.00 0.00 55.95 55.32 3krt s SER 108 Cb 0.06 0.76 0.35 0.00 0.10 0.00 0.00 66.02 67.30 3krt s SER 108 CO 0.66 -1.48 1.72 0.44 0.98 0.00 0.00 173.24 175.56 3krt h ASP 109 N 2.04 0.63 0.65 7.02 3.32 -1.92 -2.40 116.42 125.76 3krt h ASP 109 Ca -0.27 -0.19 -0.16 0.00 0.02 0.00 0.00 57.03 56.43 3krt h ASP 109 Cb 1.25 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3krt h ASP 109 CO 0.34 0.80 -0.74 -0.07 -1.72 0.00 0.00 179.24 177.85 3krt h LEU 110 N 0.58 0.09 -1.26 1.55 4.07 -1.96 -2.84 115.31 115.53 3krt h LEU 110 Ca 0.10 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 3krt h LEU 110 Cb 0.59 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 3krt h LEU 110 CO 0.04 0.80 -0.24 0.00 -1.08 0.00 0.00 178.44 177.95 3krt h ALA 111 N 1.20 1.39 0.00 1.53 0.00 -1.81 -2.89 119.26 118.68 3krt h ALA 111 Ca -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3krt h ALA 111 Cb 1.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3krt h ALA 111 CO 0.10 0.43 -0.30 -0.22 0.00 0.00 0.00 179.25 179.27 3krt h LYS 112 N 0.18 0.00 -1.01 0.00 3.64 -1.18 -2.87 116.57 115.32 3krt h LYS 112 Ca 0.03 0.00 0.29 0.00 -1.27 0.00 0.00 60.65 59.70 3krt h LYS 112 Cb 0.53 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.22 3krt h LYS 112 CO 0.04 0.30 0.59 0.00 -2.27 0.00 0.00 179.45 178.11 3krt h ARG 113 N 0.00 0.40 0.00 1.90 3.08 -1.45 -1.24 114.38 117.08 3krt h ARG 113 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3krt h ARG 113 Cb 0.81 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3krt h ARG 113 CO 0.04 0.27 0.00 0.72 -1.07 0.00 0.00 179.97 179.93 3krt n HIS 114 N -4.96 0.84 -2.97 3.04 8.25 -1.08 -4.63 115.22 113.71 3krt n HIS 114 Ca 0.30 0.28 -0.44 0.00 -0.26 0.00 0.00 57.72 57.60 3krt n HIS 114 Cb 0.91 -0.96 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 3krt n HIS 114 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3krt s ASP 115 N -4.33 6.55 0.25 0.41 2.15 -0.47 -4.62 116.67 116.61 3krt s ASP 115 Ca 0.08 -1.92 0.02 0.00 0.43 0.00 0.00 52.55 51.16 3krt s ASP 115 Cb 0.11 -2.38 -0.05 0.00 -0.30 0.00 0.00 42.92 40.30 3krt s ASP 115 CO 0.49 -1.07 0.06 -0.76 -0.17 0.00 0.00 175.17 173.72 3krt s LEU 116 N 2.64 1.86 0.06 -1.34 1.43 -1.26 -5.04 118.68 117.02 3krt s LEU 116 Ca 0.28 -1.33 0.23 0.00 -1.03 0.00 0.00 54.13 52.28 3krt s LEU 116 Cb -0.08 -0.08 0.92 0.00 0.03 0.00 0.00 46.19 46.97 3krt s LEU 116 CO -0.06 -0.66 1.71 -2.65 0.23 0.00 0.00 176.35 174.92 3krt n PRO 117 N -0.45 0.06 -4.26 1.29 -0.02 -1.26 -4.75 135.00 125.61 3krt n PRO 117 Ca -0.02 0.18 -0.19 0.00 -2.02 0.00 0.00 63.50 61.45 3krt n PRO 117 Cb 0.65 -1.59 -0.11 0.00 -0.02 0.00 0.00 33.50 32.43 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 -3.06 1.52 -0.21 6.00 -0.85 -1.26 -0.53 117.35 118.95 3krt s TYR 118 Ca 0.10 -0.52 -0.00 0.00 -0.52 0.00 0.00 57.07 56.12 3krt s TYR 118 Cb 0.13 -0.79 0.06 0.00 0.38 0.00 0.00 41.96 41.74 3krt s TYR 118 CO 0.42 0.19 -0.03 -1.58 -1.52 0.00 0.00 175.55 173.03 3krt s HIS 119 N -2.01 1.91 0.04 -3.49 2.46 -0.32 -4.95 115.29 108.92 3krt s HIS 119 Ca 0.10 -1.41 -0.30 0.00 0.47 0.00 0.00 55.06 53.92 3krt s HIS 119 Cb -0.06 -1.38 -0.04 0.00 -0.13 0.00 0.00 32.58 30.97 3krt s HIS 119 CO 0.04 -0.71 1.06 0.08 -2.47 0.00 0.00 174.74 172.75 3krt s VAL 120 N 1.56 4.49 0.37 0.89 1.01 -1.26 -1.80 120.40 125.67 3krt s VAL 120 Ca -0.04 1.82 0.08 0.00 0.00 0.00 0.00 61.98 63.85 3krt s VAL 120 Cb -0.18 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3krt s VAL 120 CO -0.07 0.16 0.24 -0.63 0.00 0.00 0.00 175.10 174.80 3krt s ILE 121 N 0.90 2.89 0.00 2.22 1.09 -0.96 -2.05 121.20 125.28 3krt s ILE 121 Ca 0.54 -1.54 0.00 0.00 -1.10 0.00 0.00 60.65 58.55 3krt s ILE 121 Cb -0.25 -3.03 0.00 0.00 -1.06 0.00 0.00 42.46 38.13 3krt s ILE 121 CO 0.29 -0.10 0.00 0.61 -0.10 0.00 0.00 174.94 175.64 3krt n GLY 122 N -1.32 3.53 0.12 6.18 0.00 -1.23 -0.75 105.19 111.73 3krt n GLY 122 Ca -0.01 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.79 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 2.04 -4.00 1.61 7.64 -1.26 -1.09 113.62 118.55 3krt n SER 123 Ca 0.00 -2.90 -0.08 0.00 1.01 0.00 0.00 58.87 56.89 3krt n SER 123 Cb 0.00 -0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 62.71 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 -2.56 0.31 0.04 6.43 1.01 -1.26 -4.43 116.67 116.21 3krt s ASP 124 Ca 0.27 -0.67 -0.27 0.00 0.71 0.00 0.00 52.55 52.59 3krt s ASP 124 Cb 0.23 0.16 0.09 0.00 1.01 0.00 0.00 42.92 44.41 3krt s ASP 124 CO 0.02 -0.44 0.75 -1.48 0.21 0.00 0.00 175.17 174.23 3krt s LEU 125 N -2.07 -0.50 -0.01 1.23 0.05 -1.26 -4.39 118.68 111.73 3krt s LEU 125 Ca -0.06 0.15 0.00 0.00 0.05 0.00 0.00 54.13 54.27 3krt s LEU 125 Cb -0.02 2.33 0.02 0.00 -2.05 0.00 0.00 46.19 46.46 3krt s LEU 125 CO -0.05 -0.74 0.02 0.00 -0.55 0.00 0.00 176.35 175.03 3krt s ALA 126 N -2.89 0.07 0.00 1.48 0.00 -0.07 -2.98 121.76 117.37 3krt s ALA 126 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3krt s ALA 126 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3krt s ALA 126 CO -0.07 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.04 3krt n GLY 127 N 3.76 1.27 3.03 0.00 0.00 -0.11 -1.09 105.19 112.06 3krt n GLY 127 Ca -0.22 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.12 1.15 0.07 1.61 1.01 -0.21 -0.11 120.40 122.80 3krt s VAL 128 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 3krt s VAL 128 Cb 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 3krt s VAL 128 CO 0.00 0.36 1.63 -0.69 0.00 0.00 0.00 175.10 176.39 3krt s VAL 129 N 0.60 3.05 -0.24 2.92 1.01 0.10 0.15 120.40 127.98 3krt s VAL 129 Ca -0.14 0.53 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 3krt s VAL 129 Cb -0.15 -3.34 -0.17 0.00 0.00 0.00 0.00 36.38 32.72 3krt s VAL 129 CO 0.04 0.00 -0.13 0.18 0.00 0.00 0.00 175.10 175.19 3krt n LEU 130 N 5.41 2.32 -3.72 3.92 4.77 0.69 -0.10 117.00 130.29 3krt n LEU 130 Ca 0.15 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 3krt n LEU 130 Cb 0.41 -0.91 -0.10 0.00 -2.33 0.00 0.00 43.42 40.48 3krt n LEU 130 CO 0.62 0.66 0.10 -0.60 -1.33 0.00 0.00 177.39 176.85 3krt s ARG 131 N -2.49 0.48 -0.07 3.23 3.52 -1.01 -3.78 118.95 118.84 3krt s ARG 131 Ca -0.34 0.66 0.06 0.00 -0.13 0.00 0.00 55.73 55.98 3krt s ARG 131 Cb 0.11 0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.66 3krt s ARG 131 CO 0.58 -0.09 -0.25 0.99 -0.81 0.00 0.00 175.30 175.72 3krt s THR 132 N 0.56 2.03 0.86 4.11 2.01 -1.26 -0.42 115.64 123.53 3krt s THR 132 Ca -0.03 -1.05 -0.11 0.00 0.31 0.00 0.00 61.69 60.82 3krt s THR 132 Cb -0.04 -1.73 0.19 0.00 0.01 0.00 0.00 72.50 70.93 3krt s THR 132 CO -0.03 0.56 1.18 0.61 -0.69 0.00 0.00 174.62 176.25 3krt n GLY 133 N 3.07 -0.78 3.73 4.40 0.00 0.83 -4.99 105.19 111.45 3krt n GLY 133 Ca -0.18 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3krt n GLY 133 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3krt s PRO 134 N -5.54 4.23 0.00 1.61 0.02 -1.26 -3.10 135.00 130.96 3krt s PRO 134 Ca 0.70 2.35 0.00 0.00 0.02 0.00 0.00 61.00 64.06 3krt s PRO 134 Cb -0.02 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3krt s PRO 134 CO 0.48 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 177.05 3krt n GLY 135 N 2.80 1.28 3.65 0.52 0.00 -1.26 -0.96 105.19 111.22 3krt n GLY 135 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.31 4.27 0.00 1.61 1.01 -1.18 -4.85 120.40 118.94 3krt s VAL 136 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.47 3krt s VAL 136 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3krt s VAL 136 CO 0.00 -0.30 0.00 0.59 0.00 0.00 0.00 175.10 175.39 3krt n ASN 137 N 7.03 3.06 0.18 3.32 3.02 -1.26 -4.75 115.26 125.85 3krt n ASN 137 Ca 0.14 -0.10 0.07 0.00 -0.03 0.00 0.00 54.58 54.66 3krt n ASN 137 Cb 0.46 0.80 0.16 0.00 -0.61 0.00 0.00 39.78 40.59 3krt n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3krt h ALA 138 N 0.00 0.84 -3.22 5.41 0.00 -1.97 -3.46 119.26 116.86 3krt h ALA 138 Ca 0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 54.91 54.29 3krt h ALA 138 Cb 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 17.53 3krt h ALA 138 CO 0.00 0.37 -0.76 -1.58 0.00 0.00 0.00 179.25 177.29 3krt s TRP 139 N -3.17 1.02 0.06 0.00 0.52 -1.26 -5.17 118.94 110.94 3krt s TRP 139 Ca 0.04 -0.50 -0.05 0.00 0.02 0.00 0.00 56.10 55.61 3krt s TRP 139 Cb 0.07 -0.58 -0.02 0.00 -1.15 0.00 0.00 33.47 31.80 3krt s TRP 139 CO 0.70 0.00 0.08 1.14 0.02 0.00 0.00 176.95 178.89 3krt s GLN 140 N -1.86 0.71 0.40 4.98 -2.07 -1.26 -4.98 119.66 115.58 3krt s GLN 140 Ca -0.03 -1.06 -0.25 0.00 -1.82 0.00 0.00 55.36 52.20 3krt s GLN 140 Cb -0.09 0.27 -0.11 0.00 -1.09 0.00 0.00 33.01 31.99 3krt s GLN 140 CO 0.01 -0.18 0.94 0.00 -1.32 0.00 0.00 175.29 174.74 3krt n ALA 141 N 0.12 -0.14 0.00 2.60 0.00 -1.26 -1.52 120.51 120.30 3krt n ALA 141 Ca -0.15 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3krt n ALA 141 Cb 0.61 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.28 3.22 3.73 0.00 0.00 0.85 -4.38 105.19 109.89 3krt n GLY 142 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.75 6.60 -0.34 1.61 1.01 -0.58 -4.69 116.67 119.53 3krt s ASP 143 Ca 0.00 2.67 -0.19 0.00 0.71 0.00 0.00 52.55 55.74 3krt s ASP 143 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 3krt s ASP 143 CO 0.00 -0.78 0.58 -1.61 0.21 0.00 0.00 175.17 173.58 3krt s GLU 144 N 0.27 3.74 0.12 8.23 2.02 -1.26 -0.72 118.70 131.10 3krt s GLU 144 Ca 0.64 0.05 0.04 0.00 0.02 0.00 0.00 54.97 55.73 3krt s GLU 144 Cb -0.43 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 29.98 3krt s GLU 144 CO 0.38 -0.64 -0.10 0.14 0.02 0.00 0.00 175.26 175.07 3krt s VAL 145 N 2.55 1.03 0.42 2.63 -7.23 0.84 -1.80 120.40 118.84 3krt s VAL 145 Ca 0.22 -1.81 0.07 0.00 -1.81 0.00 0.00 61.98 58.65 3krt s VAL 145 Cb -0.15 -1.56 -0.07 0.00 0.56 0.00 0.00 36.38 35.16 3krt s VAL 145 CO 0.13 -0.63 0.06 0.68 -0.31 0.00 0.00 175.10 175.03 3krt s VAL 146 N -2.80 2.03 -0.04 1.32 -7.23 0.13 -0.93 120.40 112.87 3krt s VAL 146 Ca 0.10 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 3krt s VAL 146 Cb -0.01 -2.94 -0.00 0.00 0.56 0.00 0.00 36.38 33.99 3krt s VAL 146 CO 0.00 0.00 -0.18 0.00 -0.31 0.00 0.00 175.10 174.61 3krt s ALA 147 N -2.69 1.59 0.47 1.32 0.00 -1.16 -0.74 121.76 120.56 3krt s ALA 147 Ca 0.35 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 3krt s ALA 147 Cb 0.08 -0.52 -0.09 0.00 0.00 0.00 0.00 23.12 22.59 3krt s ALA 147 CO 0.18 0.30 0.99 -1.58 0.00 0.00 0.00 175.76 175.65 3krt s HIS 148 N -0.01 3.20 -2.31 0.00 2.46 0.40 -4.48 115.29 114.54 3krt s HIS 148 Ca -0.03 1.57 0.21 0.00 0.47 0.00 0.00 55.06 57.28 3krt s HIS 148 Cb -0.11 -2.93 0.65 0.00 -0.13 0.00 0.00 32.58 30.06 3krt s HIS 148 CO 0.02 -0.46 1.50 0.00 -2.47 0.00 0.00 174.74 173.33 3krt s LEU 150 N -1.53 4.20 -0.19 0.00 2.96 -1.26 -0.01 118.68 122.85 3krt s LEU 150 Ca 0.33 0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 55.07 3krt s LEU 150 Cb 0.18 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 44.05 3krt s LEU 150 CO 0.27 -0.17 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.45 3krt s SER 151 N 1.01 3.71 0.08 3.68 0.15 0.28 -4.73 113.70 117.88 3krt s SER 151 Ca 0.28 -0.51 0.09 0.00 0.70 0.00 0.00 55.95 56.52 3krt s SER 151 Cb -0.16 -1.60 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 3krt s SER 151 CO 0.11 0.01 -0.25 0.68 1.20 0.00 0.00 173.24 175.00 3krt s VAL 152 N 1.25 2.03 -0.11 4.45 -7.23 -1.26 0.36 120.40 119.88 3krt s VAL 152 Ca 0.03 -1.48 -0.06 0.00 -1.81 0.00 0.00 61.98 58.66 3krt s VAL 152 Cb -0.14 -1.77 -0.26 0.00 0.56 0.00 0.00 36.38 34.77 3krt s VAL 152 CO -0.06 0.20 0.39 -0.62 -0.31 0.00 0.00 175.10 174.70 3krt n GLU 153 N 1.45 0.76 -3.84 4.82 -0.58 -1.26 -5.01 120.64 116.97 3krt n GLU 153 Ca -0.18 0.27 -0.30 0.00 -0.42 0.00 0.00 57.16 56.53 3krt n GLU 153 Cb 0.53 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 -3.46 -1.99 0.05 -4.62 4.77 -1.26 -4.90 117.00 105.59 3krt n LEU 154 Ca -0.31 -0.73 -0.18 0.00 -0.03 0.00 0.00 56.01 54.76 3krt n LEU 154 Cb 1.05 -2.29 -0.09 0.00 -2.33 0.00 0.00 43.42 39.76 3krt n LEU 154 CO 0.43 0.32 0.11 -0.08 -1.33 0.00 0.00 177.39 176.84 3krt h GLU 155 N -1.56 0.64 -7.08 3.23 4.81 -2.00 -3.45 114.58 109.17 3krt h GLU 155 Ca -0.54 -0.68 -0.50 0.00 -0.13 0.00 0.00 59.36 57.52 3krt h GLU 155 Cb 1.35 0.19 0.06 0.00 0.63 0.00 0.00 28.75 30.99 3krt h GLU 155 CO 0.67 1.27 0.42 0.45 -0.73 0.00 0.00 179.01 181.10 3krt s SER 156 N -7.24 5.88 0.47 1.04 0.15 -1.26 -4.96 113.70 107.79 3krt s SER 156 Ca -0.09 2.13 0.27 0.00 0.70 0.00 0.00 55.95 58.96 3krt s SER 156 Cb 0.07 -2.58 1.03 0.00 -1.71 0.00 0.00 66.02 62.83 3krt s SER 156 CO 0.91 -1.11 1.86 0.77 1.20 0.00 0.00 173.24 176.88 3krt h SER 157 N 1.33 0.00 -1.06 5.45 4.64 -2.00 -3.35 113.55 118.56 3krt h SER 157 Ca -0.50 0.00 0.33 0.00 -0.47 0.00 0.00 61.79 61.15 3krt h SER 157 Cb 1.25 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 3krt h SER 157 CO 0.58 0.15 0.63 0.44 -0.87 0.00 0.00 176.83 177.76 3krt h ASP 158 N 0.00 0.48 -0.64 4.97 3.32 -1.93 -2.21 116.42 120.41 3krt h ASP 158 Ca -0.00 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3krt h ASP 158 Cb 0.69 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3krt h ASP 158 CO 0.02 -0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.05 3krt n GLY 159 N -1.35 2.12 0.27 2.75 0.00 -1.26 -4.42 105.19 103.30 3krt n GLY 159 Ca 0.31 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 1.49 0.10 -1.49 1.61 8.25 -0.83 -2.76 115.22 121.59 3krt n HIS 160 Ca 0.22 -0.05 0.07 0.00 -0.26 0.00 0.00 57.72 57.70 3krt n HIS 160 Cb 0.58 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.83 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 -0.24 1.74 0.00 0.41 5.15 -1.26 -5.00 115.26 116.06 3krt n ASN 161 Ca 0.15 -3.18 0.00 0.00 -0.60 0.00 0.00 54.58 50.95 3krt n ASN 161 Cb 0.19 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 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 -1.00 0.00 0.00 1.20 2.03 -1.19 -5.06 116.55 112.54 3krt n ASP 162 Ca 0.14 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.56 3krt n ASP 162 Cb 0.71 0.00 0.49 0.00 -0.72 0.00 0.00 41.12 41.60 3krt n ASP 162 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3krt n THR 163 N 0.00 0.43 0.81 5.18 -2.24 -1.11 -2.39 114.28 114.95 3krt n THR 163 Ca 0.00 0.11 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 3krt n THR 163 Cb 0.00 -0.72 0.42 0.00 -2.10 0.00 0.00 70.33 67.93 3krt n THR 163 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3krt n MET 164 N -1.47 0.29 0.00 -0.78 2.81 -1.26 -2.03 117.12 114.68 3krt n MET 164 Ca 0.06 0.10 0.12 0.00 -1.81 0.00 0.00 57.70 56.18 3krt n MET 164 Cb 0.25 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.49 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 -1.22 1.83 -4.66 4.03 4.32 -1.01 -4.91 117.00 115.39 3krt n LEU 165 Ca 0.09 -0.61 -0.42 0.00 -0.02 0.00 0.00 56.01 55.04 3krt n LEU 165 Cb 0.11 -0.04 -0.03 0.00 -1.62 0.00 0.00 43.42 41.84 3krt n LEU 165 CO 0.11 0.32 1.59 -0.62 -1.22 0.00 0.00 177.39 177.58 3krt s ASP 166 N -2.30 6.46 0.35 -1.43 2.15 -0.86 -4.27 116.67 116.76 3krt s ASP 166 Ca 0.26 2.66 0.27 0.00 0.43 0.00 0.00 52.55 56.16 3krt s ASP 166 Cb 0.19 -2.53 1.13 0.00 -0.30 0.00 0.00 42.92 41.41 3krt s ASP 166 CO 0.46 -1.05 1.80 1.55 -0.17 0.00 0.00 175.17 177.76 3krt h PRO 167 N 10.55 0.00 -0.72 4.34 0.13 -1.90 -3.00 132.00 141.40 3krt h PRO 167 Ca -0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 3krt h PRO 167 Cb 1.24 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 3krt h PRO 167 CO 0.94 0.00 0.22 0.39 -0.23 0.00 0.00 178.00 179.32 3krt n GLU 168 N -2.49 4.01 -2.08 0.86 1.02 -1.26 -4.99 120.64 115.71 3krt n GLU 168 Ca 0.01 -3.10 -0.36 0.00 -0.02 0.00 0.00 57.16 53.69 3krt n GLU 168 Cb 0.24 -2.24 0.02 0.00 -0.02 0.00 0.00 31.44 29.44 3krt n GLU 168 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3krt s GLN 169 N -2.94 3.09 0.02 3.49 -2.07 -1.14 -4.29 119.66 115.81 3krt s GLN 169 Ca 0.55 1.78 0.02 0.00 -1.82 0.00 0.00 55.36 55.89 3krt s GLN 169 Cb 0.44 -1.96 -0.01 0.00 -1.09 0.00 0.00 33.01 30.38 3krt s GLN 169 CO 0.14 -1.10 -0.08 1.03 -1.32 0.00 0.00 175.29 173.96 3krt s ARG 170 N -3.30 0.56 -0.23 9.60 0.52 0.16 -5.00 118.95 121.25 3krt s ARG 170 Ca 0.76 -0.47 -0.23 0.00 -0.52 0.00 0.00 55.73 55.28 3krt s ARG 170 Cb -0.29 -0.48 -0.01 0.00 0.52 0.00 0.00 34.95 34.69 3krt s ARG 170 CO 0.32 0.12 0.74 0.42 0.02 0.00 0.00 175.30 176.91 3krt s ILE 171 N -0.64 4.92 0.16 1.52 -1.09 -1.26 -0.56 121.20 124.25 3krt s ILE 171 Ca -0.02 1.38 -0.32 0.00 -2.23 0.00 0.00 60.65 59.46 3krt s ILE 171 Cb -0.06 -4.03 -0.10 0.00 -1.58 0.00 0.00 42.46 36.69 3krt s ILE 171 CO 0.00 -0.00 1.58 0.86 -1.23 0.00 0.00 174.94 176.15 3krt s TRP 172 N 2.53 3.03 0.00 3.97 -0.00 0.99 0.09 118.94 129.56 3krt s TRP 172 Ca 0.31 0.60 0.00 0.00 -0.00 0.00 0.00 56.10 57.01 3krt s TRP 172 Cb -0.16 -3.94 0.00 0.00 -0.00 0.00 0.00 33.47 29.37 3krt s TRP 172 CO 0.09 -3.49 0.00 0.41 -0.00 0.00 0.00 176.95 173.96 3krt n GLY 173 N 3.78 1.22 1.33 5.86 0.00 -1.16 -4.17 105.19 112.04 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 -0.13 0.28 1.61 7.35 -0.91 -3.53 117.46 120.13 3krt n PHE 174 Ca 0.00 0.02 0.08 0.00 -0.76 0.00 0.00 57.45 56.80 3krt n PHE 174 Cb 0.00 0.17 0.14 0.00 0.35 0.00 0.00 39.48 40.14 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 -2.94 1.96 -4.35 -4.13 1.02 0.11 -4.88 120.64 107.43 3krt n GLU 175 Ca 0.00 -1.85 -0.18 0.00 -0.02 0.00 0.00 57.16 55.10 3krt n GLU 175 Cb 0.29 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 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 -1.22 1.60 0.44 2.62 -4.23 -1.11 -4.79 115.64 108.95 3krt s THR 176 Ca 0.26 -2.16 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 3krt s THR 176 Cb 0.16 -2.14 0.09 0.00 1.34 0.00 0.00 72.50 71.95 3krt s THR 176 CO 0.22 -0.52 0.60 -3.20 -0.54 0.00 0.00 174.62 171.18 3krt n ASN 177 N -0.41 0.64 -3.46 3.99 2.85 -1.26 -3.01 115.26 114.60 3krt n ASN 177 Ca -0.07 -1.58 -0.21 0.00 -0.11 0.00 0.00 54.58 52.61 3krt n ASN 177 Cb 0.61 -0.40 0.08 0.00 1.24 0.00 0.00 39.78 41.31 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 -2.37 -2.59 -0.90 1.20 3.72 -1.23 -4.41 117.46 110.88 3krt n PHE 178 Ca 0.09 0.97 -0.30 0.00 -0.05 0.00 0.00 57.45 58.16 3krt n PHE 178 Cb 0.33 -4.95 0.24 0.00 -0.94 0.00 0.00 39.48 34.16 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 -3.63 1.54 0.00 1.37 0.00 -0.87 -3.23 107.32 102.49 3krt s GLY 179 Ca 0.39 -0.74 0.28 0.00 0.00 0.00 0.00 44.72 44.64 3krt s GLY 179 CO 0.71 0.11 1.74 0.61 0.00 0.00 0.00 173.10 176.27 3krt n GLY 180 N -0.32 -1.03 3.35 0.20 0.00 -0.25 -4.49 105.19 102.65 3krt n GLY 180 Ca 0.10 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.09 5.48 -3.61 0.99 4.77 0.07 -4.62 117.00 118.99 3krt n LEU 181 Ca 0.11 -4.17 0.03 0.00 -0.03 0.00 0.00 56.01 51.96 3krt n LEU 181 Cb 0.31 -1.68 -0.00 0.00 -2.33 0.00 0.00 43.42 39.72 3krt n LEU 181 CO 0.27 0.57 1.17 0.00 -1.33 0.00 0.00 177.39 178.07 3krt s ALA 182 N 3.00 -2.45 -0.24 -1.18 0.00 -1.26 -0.84 121.76 118.79 3krt s ALA 182 Ca 0.49 0.82 0.19 0.00 0.00 0.00 0.00 51.96 53.46 3krt s ALA 182 Cb 0.04 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.55 3krt s ALA 182 CO 0.03 -1.07 1.23 0.93 0.00 0.00 0.00 175.76 176.88 3krt h GLU 183 N 2.00 0.00 -4.59 0.00 5.08 -1.56 -3.42 114.58 112.10 3krt h GLU 183 Ca -0.32 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.72 3krt h GLU 183 Cb 1.19 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.20 3krt h GLU 183 CO 0.30 0.20 -0.75 0.42 -1.00 0.00 0.00 179.01 178.18 3krt s ILE 184 N -3.11 0.58 0.04 3.13 -1.09 -1.26 -1.13 121.20 118.36 3krt s ILE 184 Ca 0.02 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 3krt s ILE 184 Cb 0.08 -0.58 -0.03 0.00 -1.58 0.00 0.00 42.46 40.35 3krt s ILE 184 CO 0.75 -0.15 -0.04 0.00 -1.23 0.00 0.00 174.94 174.27 3krt s ALA 185 N -0.86 0.43 -0.20 9.38 0.00 -0.58 -4.86 121.76 125.07 3krt s ALA 185 Ca -0.04 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 3krt s ALA 185 Cb -0.07 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 3krt s ALA 185 CO 0.00 -0.20 0.01 -1.17 0.00 0.00 0.00 175.76 174.41 3krt s LEU 186 N -2.09 3.32 0.23 0.00 2.96 -1.20 -0.74 118.68 121.16 3krt s LEU 186 Ca -0.05 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3krt s LEU 186 Cb -0.03 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 3krt s LEU 186 CO -0.04 0.07 0.08 0.68 -1.32 0.00 0.00 176.35 175.82 3krt s VAL 187 N 0.99 0.49 0.44 1.68 -7.23 -0.41 -4.85 120.40 111.52 3krt s VAL 187 Ca 0.02 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 57.99 3krt s VAL 187 Cb -0.14 -2.49 -0.11 0.00 0.56 0.00 0.00 36.38 34.20 3krt s VAL 187 CO 0.02 -0.12 0.96 -0.54 -0.31 0.00 0.00 175.10 175.11 3krt s LYS 188 N -4.03 4.18 0.51 4.82 1.02 -1.26 -0.24 119.74 124.73 3krt s LYS 188 Ca 0.35 1.11 0.27 0.00 0.02 0.00 0.00 55.97 57.71 3krt s LYS 188 Cb 0.07 -2.17 1.34 0.00 -0.52 0.00 0.00 37.83 36.55 3krt s LYS 188 CO 0.11 -0.07 2.01 0.66 -0.92 0.00 0.00 175.35 177.14 3krt h SER 189 N 1.77 0.00 -0.11 2.83 4.64 -1.15 -1.54 113.55 119.99 3krt h SER 189 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 3krt h SER 189 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3krt h SER 189 CO 0.61 0.14 0.02 -0.46 -0.87 0.00 0.00 176.83 176.27 3krt n ASN 190 N -3.53 1.99 -0.00 4.97 0.23 -1.26 -2.11 115.26 115.54 3krt n ASN 190 Ca -0.01 -2.17 0.07 0.00 -0.53 0.00 0.00 54.58 51.93 3krt n ASN 190 Cb 0.29 -0.54 -0.09 0.00 -2.08 0.00 0.00 39.78 37.36 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 0.12 1.23 -2.75 -3.83 6.02 -0.58 -4.95 117.38 112.64 3krt n GLN 191 Ca 0.05 -0.08 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 3krt n GLN 191 Cb 0.45 -1.25 -0.05 0.00 1.02 0.00 0.00 30.24 30.42 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 -3.46 4.52 0.16 1.08 1.43 -0.90 -0.45 118.68 121.06 3krt s LEU 192 Ca -0.01 1.79 0.07 0.00 -1.03 0.00 0.00 54.13 54.95 3krt s LEU 192 Cb 0.09 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 3krt s LEU 192 CO 0.56 -0.03 -0.15 -0.04 0.23 0.00 0.00 176.35 176.92 3krt s MET 193 N -0.17 1.18 0.35 1.70 -1.94 0.08 -4.94 119.30 115.57 3krt s MET 193 Ca 0.45 -1.41 -0.27 0.00 -1.71 0.00 0.00 55.69 52.75 3krt s MET 193 Cb -0.23 -1.05 -0.09 0.00 2.01 0.00 0.00 34.83 35.46 3krt s MET 193 CO 0.30 0.19 1.17 -1.25 -0.01 0.00 0.00 175.02 175.42 3krt s PRO 194 N -3.11 4.28 0.05 2.03 0.04 -1.26 -0.69 135.00 136.33 3krt s PRO 194 Ca 0.16 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 3krt s PRO 194 Cb -0.03 -2.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 3krt s PRO 194 CO 0.05 -0.14 1.14 0.21 0.04 0.00 0.00 177.00 178.29 3krt s LYS 195 N -1.98 4.48 0.04 4.56 2.20 -0.74 -4.50 119.74 123.79 3krt s LYS 195 Ca 0.52 1.68 -0.31 0.00 -0.36 0.00 0.00 55.97 57.50 3krt s LYS 195 Cb -0.33 -3.37 -0.10 0.00 -1.51 0.00 0.00 37.83 32.53 3krt s LYS 195 CO 0.42 -0.18 1.95 -2.30 -0.36 0.00 0.00 175.35 174.87 3krt n PRO 196 N 3.82 2.81 -0.27 4.03 -0.02 -1.26 -4.90 135.00 139.21 3krt n PRO 196 Ca 0.08 1.03 0.15 0.00 -2.02 0.00 0.00 63.50 62.74 3krt n PRO 196 Cb 0.48 -2.97 0.42 0.00 -0.02 0.00 0.00 33.50 31.41 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 10.18 0.58 -0.08 2.55 3.32 -1.92 -2.45 116.42 128.60 3krt h ASP 197 Ca -0.49 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3krt h ASP 197 Cb 1.24 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3krt h ASP 197 CO 0.94 0.25 0.00 0.00 -1.72 0.00 0.00 179.24 178.71 3krt n HIS 198 N -4.58 0.10 -4.27 4.55 1.44 -1.26 0.40 115.22 111.60 3krt n HIS 198 Ca 0.19 -0.05 -0.30 0.00 -2.01 0.00 0.00 57.72 55.56 3krt n HIS 198 Cb 0.58 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.59 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 -1.65 2.89 0.86 2.39 1.43 -0.92 -4.53 118.68 119.14 3krt s LEU 199 Ca 0.33 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 3krt s LEU 199 Cb 0.17 -1.70 0.11 0.00 0.03 0.00 0.00 46.19 44.79 3krt s LEU 199 CO 0.26 0.18 1.13 -0.94 0.23 0.00 0.00 176.35 177.22 3krt s SER 200 N -2.16 3.97 0.12 2.29 1.04 -1.26 -3.69 113.70 114.01 3krt s SER 200 Ca 0.20 1.01 -0.20 0.00 0.48 0.00 0.00 55.95 57.44 3krt s SER 200 Cb -0.11 -1.62 -0.05 0.00 0.10 0.00 0.00 66.02 64.34 3krt s SER 200 CO 0.12 -2.26 1.73 -0.50 0.98 0.00 0.00 173.24 173.31 3krt h TRP 201 N -1.30 0.03 -0.52 5.02 4.06 -1.69 0.85 115.95 122.41 3krt h TRP 201 Ca -0.49 0.01 -0.07 0.00 2.06 0.00 0.00 58.89 60.40 3krt h TRP 201 Cb 1.31 0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 29.46 3krt h TRP 201 CO 0.34 0.00 0.03 1.05 -3.56 0.00 0.00 178.44 176.30 3krt h GLU 202 N 0.08 0.86 -0.47 0.49 9.09 -1.89 -1.25 114.58 121.49 3krt h GLU 202 Ca 0.08 -0.23 -0.09 0.00 0.05 0.00 0.00 59.36 59.17 3krt h GLU 202 Cb 0.08 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 27.06 3krt h GLU 202 CO -0.11 0.84 -0.06 0.93 0.05 0.00 0.00 179.01 180.66 3krt h GLU 203 N 0.80 0.82 0.00 1.06 5.08 -1.84 -2.45 114.58 118.05 3krt h GLU 203 Ca 0.16 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3krt h GLU 203 Cb 0.44 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3krt h GLU 203 CO 0.02 0.86 -0.42 0.00 -1.00 0.00 0.00 179.01 178.46 3krt h ALA 204 N 1.18 0.88 0.00 3.43 0.00 -0.33 -2.95 119.26 121.48 3krt h ALA 204 Ca 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3krt h ALA 204 Cb 0.53 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3krt h ALA 204 CO 0.03 0.53 -0.08 0.00 0.00 0.00 0.00 179.25 179.73 3krt h ALA 205 N 1.58 0.95 -0.15 0.00 0.00 -1.01 -3.39 119.26 117.24 3krt h ALA 205 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3krt h ALA 205 Cb 1.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3krt h ALA 205 CO 0.06 0.07 0.02 0.00 0.00 0.00 0.00 179.25 179.39 3krt h ALA 206 N 1.95 0.20 0.69 0.00 0.00 -1.26 -3.36 119.26 117.48 3krt h ALA 206 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3krt h ALA 206 Cb 1.04 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.78 3krt h ALA 206 CO 0.01 -0.13 -0.33 -1.35 0.00 0.00 0.00 179.25 177.44 3krt h PRO 207 N 0.02 -0.90 0.00 0.00 0.11 -1.76 -3.44 132.00 126.04 3krt h PRO 207 Ca 0.04 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3krt h PRO 207 Cb 0.32 0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3krt h PRO 207 CO 0.00 -0.58 0.00 0.41 -0.21 0.00 0.00 178.00 177.62 3krt n GLY 208 N -0.69 0.00 0.19 -0.55 0.00 -1.26 -1.37 105.19 101.50 3krt n GLY 208 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 0.45 -0.02 0.99 6.46 -1.84 -2.44 115.31 118.91 3krt h LEU 209 Ca 0.00 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 3krt h LEU 209 Cb 0.00 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 3krt h LEU 209 CO 0.00 0.32 -0.22 0.58 -0.62 0.00 0.00 178.44 178.50 3krt h VAL 210 N 0.55 1.52 -0.61 1.05 2.07 -1.66 -2.26 116.25 116.90 3krt h VAL 210 Ca 0.17 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3krt h VAL 210 Cb -0.01 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 3krt h VAL 210 CO -0.07 0.50 0.39 -1.13 0.02 0.00 0.00 177.57 177.28 3krt h ASN 211 N -0.45 0.71 0.59 0.57 -1.24 -1.23 -0.85 115.58 113.69 3krt h ASN 211 Ca -0.02 -0.04 -0.13 0.00 0.71 0.00 0.00 56.30 56.82 3krt h ASN 211 Cb 0.93 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 3krt h ASN 211 CO 0.04 0.54 -0.61 0.77 -1.29 0.00 0.00 177.43 176.88 3krt h SER 212 N 0.82 0.02 0.33 1.15 4.64 -1.49 -0.22 113.55 118.80 3krt h SER 212 Ca 0.22 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 3krt h SER 212 Cb -0.06 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3krt h SER 212 CO -0.04 0.63 -0.16 0.74 -0.87 0.00 0.00 176.83 177.13 3krt h THR 213 N 0.02 0.69 -0.98 2.95 2.02 -1.05 -0.47 112.91 116.08 3krt h THR 213 Ca -0.01 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.17 3krt h THR 213 Cb 1.09 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 3krt h THR 213 CO 0.08 0.02 0.63 0.00 0.37 0.00 0.00 175.52 176.62 3krt h ALA 214 N 0.18 1.49 0.05 6.16 0.00 -1.05 -1.73 119.26 124.36 3krt h ALA 214 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3krt h ALA 214 Cb 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3krt h ALA 214 CO 0.07 0.32 -0.03 -0.92 0.00 0.00 0.00 179.25 178.70 3krt h TYR 215 N 1.06 -0.07 -0.57 0.00 3.20 -0.80 -0.69 116.97 119.10 3krt h TYR 215 Ca 0.45 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.38 3krt h TYR 215 Cb 0.31 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 3krt h TYR 215 CO -0.00 0.16 0.26 -0.09 -1.64 0.00 0.00 178.16 176.85 3krt h ARG 216 N -0.29 0.47 -0.36 1.82 2.43 -0.82 0.58 114.38 118.20 3krt h ARG 216 Ca -0.01 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 3krt h ARG 216 Cb 0.26 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3krt h ARG 216 CO 0.01 0.31 -0.21 0.37 -1.51 0.00 0.00 179.97 178.94 3krt h GLN 217 N 0.48 0.77 0.00 0.20 4.15 -1.14 -3.10 115.11 116.47 3krt h GLN 217 Ca 0.27 -0.35 -0.41 0.00 0.77 0.00 0.00 58.65 58.92 3krt h GLN 217 Cb 0.25 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.86 3krt h GLN 217 CO -0.22 0.98 -2.46 -0.11 -1.93 0.00 0.00 178.83 175.08 3krt n LEU 218 N -4.27 2.45 -0.05 -2.39 7.94 -0.28 -0.69 117.00 119.71 3krt n LEU 218 Ca -0.02 0.09 -0.19 0.00 -1.11 0.00 0.00 56.01 54.78 3krt n LEU 218 Cb 0.43 -0.83 -0.13 0.00 0.53 0.00 0.00 43.42 43.41 3krt n LEU 218 CO 0.44 0.74 -1.00 0.52 -1.11 0.00 0.00 177.39 176.99 3krt n VAL 219 N -3.70 1.66 -1.71 1.96 0.31 0.12 -1.52 118.33 115.46 3krt n VAL 219 Ca -0.48 -0.64 -0.33 0.00 -0.01 0.00 0.00 64.34 62.87 3krt n VAL 219 Cb 0.92 -1.55 0.05 0.00 -0.91 0.00 0.00 33.84 32.36 3krt n VAL 219 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3krt s SER 220 N -6.77 4.95 0.18 4.52 0.15 -0.78 -4.02 113.70 111.93 3krt s SER 220 Ca -0.26 2.07 0.23 0.00 0.70 0.00 0.00 55.95 58.69 3krt s SER 220 Cb 0.07 -2.56 0.90 0.00 -1.71 0.00 0.00 66.02 62.73 3krt s SER 220 CO 0.71 -1.74 1.71 0.54 1.20 0.00 0.00 173.24 175.66 3krt n ARG 221 N -2.45 0.16 0.00 5.44 1.74 -1.26 -1.34 116.66 118.95 3krt n ARG 221 Ca 0.11 0.30 0.14 0.00 -0.77 0.00 0.00 57.85 57.63 3krt n ARG 221 Cb 0.52 -1.76 0.64 0.00 -1.02 0.00 0.00 32.46 30.84 3krt n ARG 221 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3krt n ASN 222 N -2.05 0.00 0.00 0.55 3.02 -1.26 -4.77 115.26 110.75 3krt n ASN 222 Ca 0.04 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 3krt n ASN 222 Cb 0.28 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3krt n ASN 222 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3krt n GLY 223 N 1.38 2.78 0.21 7.41 0.00 -0.76 -4.93 105.19 111.28 3krt n GLY 223 Ca 0.09 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 0.85 0.93 -5.60 4.61 0.00 -0.96 -3.48 119.26 115.62 3krt h ALA 224 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.44 3krt h ALA 224 Cb 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 17.79 17.93 3krt h ALA 224 CO 0.00 0.19 -0.74 0.41 0.00 0.00 0.00 179.25 179.11 3krt n GLY 225 N 0.79 -0.37 3.39 0.00 0.00 -0.45 -4.90 105.19 103.65 3krt n GLY 225 Ca 0.02 0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 3krt n GLY 225 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3krt n MET 226 N -4.18 0.19 -4.39 1.61 1.56 -0.57 -4.99 117.12 106.34 3krt n MET 226 Ca -0.24 0.07 -0.19 0.00 -0.27 0.00 0.00 57.70 57.06 3krt n MET 226 Cb 0.65 -1.14 -0.10 0.00 2.15 0.00 0.00 33.22 34.78 3krt n MET 226 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 3krt s LYS 227 N -1.13 1.49 0.24 2.12 -2.85 -1.26 -4.97 119.74 113.38 3krt s LYS 227 Ca 0.62 -1.79 -0.30 0.00 -1.00 0.00 0.00 55.97 53.50 3krt s LYS 227 Cb -0.77 -0.79 -0.09 0.00 -2.06 0.00 0.00 37.83 34.11 3krt s LYS 227 CO 0.59 -0.12 1.35 1.14 0.10 0.00 0.00 175.35 178.41 3krt s GLN 228 N -3.86 4.35 0.00 1.78 -2.07 -1.24 -2.48 119.66 116.14 3krt s GLN 228 Ca 0.32 2.15 0.00 0.00 -1.82 0.00 0.00 55.36 56.01 3krt s GLN 228 Cb 0.07 -3.15 0.00 0.00 -1.09 0.00 0.00 33.01 28.84 3krt s GLN 228 CO 0.12 -0.29 0.00 0.41 -1.32 0.00 0.00 175.29 174.21 3krt n GLY 229 N 2.06 0.51 3.76 2.60 0.00 -0.61 -4.92 105.19 108.59 3krt n GLY 229 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.90 5.88 -0.25 1.61 1.01 -1.04 -4.72 116.67 117.27 3krt s ASP 230 Ca 0.00 2.61 -0.17 0.00 0.71 0.00 0.00 52.55 55.69 3krt s ASP 230 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 3krt s ASP 230 CO 0.00 -1.14 0.48 0.20 0.21 0.00 0.00 175.17 174.92 3krt s ASN 231 N -0.98 6.42 -0.21 0.27 0.01 -1.26 -0.26 114.94 118.93 3krt s ASN 231 Ca 0.64 0.50 0.01 0.00 -0.71 0.00 0.00 52.86 53.31 3krt s ASN 231 Cb -0.36 -2.27 0.03 0.00 0.41 0.00 0.00 41.25 39.06 3krt s ASN 231 CO 0.45 -0.23 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.95 3krt s VAL 232 N 2.07 2.20 -0.23 1.60 1.01 -0.17 -1.40 120.40 125.49 3krt s VAL 232 Ca 0.20 -1.10 -0.23 0.00 0.00 0.00 0.00 61.98 60.85 3krt s VAL 232 Cb -0.16 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3krt s VAL 232 CO 0.09 0.37 0.76 -0.22 0.00 0.00 0.00 175.10 176.10 3krt s LEU 233 N 1.25 4.10 -0.30 3.92 2.96 -0.02 0.05 118.68 130.64 3krt s LEU 233 Ca 0.01 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 54.90 3krt s LEU 233 Cb -0.15 -3.08 0.07 0.00 0.50 0.00 0.00 46.19 43.53 3krt s LEU 233 CO -0.10 -0.44 -0.01 -0.63 -1.32 0.00 0.00 176.35 173.85 3krt s ILE 234 N 2.54 2.46 0.57 6.68 1.01 -0.39 0.18 121.20 134.26 3krt s ILE 234 Ca 0.33 -1.83 -0.18 0.00 0.00 0.00 0.00 60.65 58.96 3krt s ILE 234 Cb -0.16 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 3krt s ILE 234 CO 0.09 -0.27 1.11 0.26 0.00 0.00 0.00 174.94 176.13 3krt s TRP 235 N 1.08 2.71 -1.34 3.97 0.52 -1.21 -0.65 118.94 124.02 3krt s TRP 235 Ca -0.01 1.55 -0.08 0.00 0.02 0.00 0.00 56.10 57.58 3krt s TRP 235 Cb -0.20 -3.22 0.00 0.00 -1.15 0.00 0.00 33.47 28.90 3krt s TRP 235 CO -0.05 -1.49 0.49 0.41 0.02 0.00 0.00 176.95 176.33 3krt n GLY 236 N -0.11 -0.43 0.23 0.98 0.00 -0.65 -4.70 105.19 100.52 3krt n GLY 236 Ca 0.11 0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.44 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 0.90 1.42 -0.07 4.61 0.00 -1.45 -1.88 119.26 122.78 3krt h ALA 237 Ca -0.65 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3krt h ALA 237 Cb 1.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3krt h ALA 237 CO 0.59 0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.96 3krt n SER 238 N -3.94 1.99 -3.52 0.00 3.41 -1.26 -2.06 113.62 108.24 3krt n SER 238 Ca -0.02 -1.68 -0.27 0.00 -0.26 0.00 0.00 58.87 56.64 3krt n SER 238 Cb 0.28 -0.03 0.22 0.00 -0.26 0.00 0.00 64.21 64.42 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 1.23 -2.43 0.24 5.00 0.00 -0.71 -0.35 105.19 108.18 3krt n GLY 239 Ca 0.17 -1.54 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.28 -0.96 0.94 -0.02 0.00 -1.84 0.23 103.07 99.14 3krt h GLY 240 Ca -0.38 0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.40 3krt h GLY 240 CO 0.25 -0.32 0.12 -2.00 0.00 0.00 0.00 176.54 174.59 3krt h LEU 241 N -0.49 0.18 -1.68 3.11 5.85 -1.89 -2.59 115.31 117.81 3krt h LEU 241 Ca -0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3krt h LEU 241 Cb 0.42 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3krt h LEU 241 CO -0.03 0.14 -0.19 1.23 -0.34 0.00 0.00 178.44 179.26 3krt h GLY 242 N 0.24 0.00 2.00 3.75 0.00 -1.66 -0.91 103.07 106.50 3krt h GLY 242 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 3krt h GLY 242 CO -0.04 0.00 -0.30 1.48 0.00 0.00 0.00 176.54 177.67 3krt h SER 243 N 0.00 0.00 0.12 0.19 4.64 0.06 -1.21 113.55 117.35 3krt h SER 243 Ca -0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 3krt h SER 243 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3krt h SER 243 CO 0.02 0.30 -1.50 1.88 -0.87 0.00 0.00 176.83 176.67 3krt h TYR 244 N 0.00 0.45 -0.81 4.77 0.05 -1.40 -3.34 116.97 116.69 3krt h TYR 244 Ca -0.00 -0.33 0.17 0.00 0.05 0.00 0.00 58.73 58.62 3krt h TYR 244 Cb 0.53 -0.02 -0.11 0.00 1.01 0.00 0.00 36.73 38.15 3krt h TYR 244 CO 0.00 1.59 0.31 0.00 -1.05 0.00 0.00 178.16 179.01 3krt h ALA 245 N -0.04 1.18 -0.55 3.88 0.00 -1.06 -0.14 119.26 122.52 3krt h ALA 245 Ca -0.32 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3krt h ALA 245 Cb 1.80 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 3krt h ALA 245 CO 0.06 -0.27 0.05 1.15 0.00 0.00 0.00 179.25 180.24 3krt h THR 246 N 0.41 1.25 -0.20 0.00 2.02 -1.40 -1.76 112.91 113.22 3krt h THR 246 Ca 0.47 -0.99 -0.20 0.00 0.77 0.00 0.00 66.41 66.45 3krt h THR 246 Cb 0.79 0.77 0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3krt h THR 246 CO -0.47 0.36 -0.66 1.56 0.37 0.00 0.00 175.52 176.69 3krt h GLN 247 N 0.85 0.80 -0.51 6.66 4.20 -1.38 -2.12 115.11 123.62 3krt h GLN 247 Ca 0.17 -0.59 0.03 0.00 0.06 0.00 0.00 58.65 58.31 3krt h GLN 247 Cb 0.43 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 3krt h GLN 247 CO 0.01 1.21 0.30 0.74 -0.67 0.00 0.00 178.83 180.42 3krt h PHE 248 N 0.55 0.56 -0.47 2.96 0.04 -0.89 0.13 116.94 119.81 3krt h PHE 248 Ca -0.02 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3krt h PHE 248 Cb 1.28 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 39.22 3krt h PHE 248 CO 0.08 0.32 0.30 0.00 -0.60 0.00 0.00 178.31 178.41 3krt h ALA 249 N 1.23 0.60 -0.01 2.45 0.00 -1.25 -0.89 119.26 121.39 3krt h ALA 249 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3krt h ALA 249 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3krt h ALA 249 CO -0.10 0.01 -0.02 -0.07 0.00 0.00 0.00 179.25 179.07 3krt h LEU 250 N 0.60 0.03 -2.20 0.00 3.38 -1.25 0.40 115.31 116.26 3krt h LEU 250 Ca 0.18 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 3krt h LEU 250 Cb -0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3krt h LEU 250 CO -0.06 0.59 -0.02 0.00 0.09 0.00 0.00 178.44 179.04 3krt h ALA 251 N 0.44 1.06 -0.53 1.53 0.00 -0.75 -2.08 119.26 118.94 3krt h ALA 251 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3krt h ALA 251 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3krt h ALA 251 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3krt n GLY 252 N -0.58 1.80 2.11 0.00 0.00 -0.34 -4.94 105.19 103.24 3krt n GLY 252 Ca -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 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 0.66 4.01 -0.02 0.00 -0.78 -3.58 105.19 106.69 3krt n GLY 253 Ca 0.19 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.14 4.60 -0.36 4.61 0.00 0.14 -1.57 121.76 127.04 3krt s ALA 254 Ca 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 51.96 50.06 3krt s ALA 254 Cb 0.00 -1.46 0.10 0.00 0.00 0.00 0.00 23.12 21.76 3krt s ALA 254 CO 0.00 -0.59 0.09 -0.80 0.00 0.00 0.00 175.76 174.47 3krt s ASN 255 N -4.50 4.94 0.29 0.00 0.01 0.64 -4.24 114.94 112.08 3krt s ASN 255 Ca 0.57 -1.97 -0.29 0.00 -0.71 0.00 0.00 52.86 50.46 3krt s ASN 255 Cb -0.07 -1.71 -0.09 0.00 0.41 0.00 0.00 41.25 39.79 3krt s ASN 255 CO 0.35 -0.42 1.03 -2.16 -1.51 0.00 0.00 177.10 174.40 3krt s PRO 256 N 1.04 4.64 -0.38 -0.60 0.04 -1.26 -1.00 135.00 137.48 3krt s PRO 256 Ca 0.07 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.74 3krt s PRO 256 Cb -0.21 -3.10 0.11 0.00 0.04 0.00 0.00 34.50 31.34 3krt s PRO 256 CO -0.06 0.27 0.14 0.42 0.04 0.00 0.00 177.00 177.81 3krt s ILE 257 N -1.27 2.82 -0.13 0.56 -1.09 0.11 -4.19 121.20 118.00 3krt s ILE 257 Ca 0.46 -2.21 -0.24 0.00 -2.23 0.00 0.00 60.65 56.42 3krt s ILE 257 Cb -0.28 -2.99 -0.02 0.00 -1.58 0.00 0.00 42.46 37.59 3krt s ILE 257 CO 0.35 -0.65 0.76 0.00 -1.23 0.00 0.00 174.94 174.17 3krt s VAL 259 N 1.57 4.66 0.32 0.00 1.01 0.18 -0.60 120.40 127.53 3krt s VAL 259 Ca 0.37 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.32 3krt s VAL 259 Cb -0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3krt s VAL 259 CO 0.15 0.37 0.13 0.68 0.00 0.00 0.00 175.10 176.43 3krt s VAL 260 N 1.15 0.53 -0.08 2.92 -7.23 -0.51 -1.63 120.40 115.54 3krt s VAL 260 Ca 0.05 -2.00 0.12 0.00 -1.81 0.00 0.00 61.98 58.34 3krt s VAL 260 Cb -0.14 -2.53 0.18 0.00 0.56 0.00 0.00 36.38 34.45 3krt s VAL 260 CO 0.04 0.00 1.09 -1.54 -0.31 0.00 0.00 175.10 174.38 3krt n SER 261 N -0.91 2.15 -3.51 4.85 3.41 -1.26 -0.82 113.62 117.54 3krt n SER 261 Ca -0.01 -2.68 -0.12 0.00 -0.26 0.00 0.00 58.87 55.80 3krt n SER 261 Cb 0.65 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.18 -0.48 0.51 4.04 1.04 -1.26 -4.63 113.70 110.75 3krt s SER 262 Ca 0.20 0.26 0.25 0.00 0.48 0.00 0.00 55.95 57.14 3krt s SER 262 Cb 0.18 0.45 1.39 0.00 0.10 0.00 0.00 66.02 68.14 3krt s SER 262 CO 0.02 -0.63 2.07 1.55 0.98 0.00 0.00 173.24 177.23 3krt h PRO 263 N 2.36 0.00 0.30 4.02 0.13 -1.98 -0.94 132.00 135.89 3krt h PRO 263 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3krt h PRO 263 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3krt h PRO 263 CO 0.34 0.12 -0.14 0.37 -0.23 0.00 0.00 178.00 178.46 3krt h GLN 264 N 0.00 -0.39 -1.00 0.86 4.15 -1.99 -0.51 115.11 116.23 3krt h GLN 264 Ca -0.00 0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.62 3krt h GLN 264 Cb 0.31 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 27.98 3krt h GLN 264 CO 0.02 -0.09 0.61 0.87 -1.93 0.00 0.00 178.83 178.30 3krt h LYS 265 N -0.68 0.77 -0.62 1.69 1.57 -1.91 -0.76 116.57 116.62 3krt h LYS 265 Ca -0.04 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3krt h LYS 265 Cb 0.47 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3krt h LYS 265 CO 0.07 0.51 0.19 0.00 -0.57 0.00 0.00 179.45 179.65 3krt h ALA 266 N 1.62 1.16 -0.75 3.86 0.00 -0.99 -2.60 119.26 121.56 3krt h ALA 266 Ca 0.56 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3krt h ALA 266 Cb 0.82 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3krt h ALA 266 CO -0.36 0.58 0.33 0.93 0.00 0.00 0.00 179.25 180.73 3krt h GLU 267 N 0.92 1.10 -0.79 0.00 4.39 0.40 -2.29 114.58 118.30 3krt h GLU 267 Ca 0.20 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 3krt h GLU 267 Cb 0.27 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 3krt h GLU 267 CO -0.01 0.88 0.35 0.82 -1.16 0.00 0.00 179.01 179.90 3krt h ILE 268 N 1.07 1.25 -0.56 3.13 2.04 -1.30 -1.84 117.51 121.30 3krt h ILE 268 Ca 0.25 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 3krt h ILE 268 Cb 0.17 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 3krt h ILE 268 CO -0.03 0.31 0.24 0.00 0.00 0.00 0.00 178.15 178.67 3krt h ARG 270 N 0.80 0.86 0.00 0.00 3.08 -1.01 -2.02 114.38 116.10 3krt h ARG 270 Ca 0.19 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3krt h ARG 270 Cb 0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3krt h ARG 270 CO -0.02 0.89 -0.34 0.00 -1.07 0.00 0.00 179.97 179.43 3krt h ALA 271 N 1.15 1.34 0.00 0.04 0.00 -0.73 -2.26 119.26 118.81 3krt h ALA 271 Ca 0.14 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3krt h ALA 271 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3krt h ALA 271 CO 0.03 0.42 -0.35 0.52 0.00 0.00 0.00 179.25 179.87 3krt h MET 272 N 0.00 0.00 0.00 0.00 2.86 -0.99 -3.47 114.93 113.33 3krt h MET 272 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3krt h MET 272 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3krt h MET 272 CO 0.04 0.35 0.00 0.41 1.06 0.00 0.00 176.91 178.77 3krt n GLY 273 N -0.43 1.03 3.74 8.32 0.00 -0.85 -5.01 105.19 111.99 3krt n GLY 273 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.97 3.55 -0.24 4.61 0.00 -0.79 -4.94 121.76 121.97 3krt s ALA 274 Ca 0.00 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.18 3krt s ALA 274 Cb 0.00 -3.50 -0.18 0.00 0.00 0.00 0.00 23.12 19.44 3krt s ALA 274 CO 0.00 -0.59 -0.17 0.39 0.00 0.00 0.00 175.76 175.39 3krt n GLU 275 N 2.42 0.66 -3.30 0.00 1.02 -1.26 -4.19 120.64 115.99 3krt n GLU 275 Ca 0.06 0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.88 3krt n GLU 275 Cb 0.42 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.49 3.44 -0.05 0.62 0.00 -1.26 -5.04 121.76 116.97 3krt s ALA 276 Ca -0.29 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.04 3krt s ALA 276 Cb 0.08 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 20.10 3krt s ALA 276 CO 0.62 -1.69 -0.10 0.42 0.00 0.00 0.00 175.76 175.00 3krt s ILE 277 N 2.16 0.97 -0.19 0.00 1.01 -1.26 -1.50 121.20 122.38 3krt s ILE 277 Ca 0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 3krt s ILE 277 Cb -0.19 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.40 3krt s ILE 277 CO 0.12 0.31 -0.13 -0.63 0.00 0.00 0.00 174.94 174.61 3krt s ILE 278 N 0.55 2.63 -0.65 2.92 -1.09 0.23 -4.96 121.20 120.83 3krt s ILE 278 Ca -0.11 -0.75 -0.21 0.00 -2.23 0.00 0.00 60.65 57.35 3krt s ILE 278 Cb -0.14 -2.15 0.08 0.00 -1.58 0.00 0.00 42.46 38.68 3krt s ILE 278 CO 0.02 0.49 0.89 -0.62 -1.23 0.00 0.00 174.94 174.50 3krt s ASP 279 N 1.30 6.20 0.66 3.58 -1.08 -1.26 -1.43 116.67 124.64 3krt s ASP 279 Ca 0.04 -1.17 0.40 0.00 -0.52 0.00 0.00 52.55 51.30 3krt s ASP 279 Cb -0.14 -2.38 2.22 0.00 -1.46 0.00 0.00 42.92 41.16 3krt s ASP 279 CO -0.08 -1.33 2.28 0.08 0.52 0.00 0.00 175.17 176.65 3krt h ARG 280 N 9.42 0.00 0.05 4.34 0.11 -1.33 -1.45 114.38 125.52 3krt h ARG 280 Ca -0.27 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.72 3krt h ARG 280 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.16 3krt h ARG 280 CO 1.15 0.00 -0.42 -0.91 0.10 0.00 0.00 179.97 179.90 3krt h ASN 281 N 0.00 0.15 -0.71 0.08 2.35 -1.82 -1.29 115.58 114.33 3krt h ASN 281 Ca 0.00 -0.94 0.07 0.00 -0.55 0.00 0.00 56.30 54.89 3krt h ASN 281 Cb 0.13 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 3krt h ASN 281 CO -0.00 1.19 0.47 0.00 -1.65 0.00 0.00 177.43 177.44 3krt h ALA 282 N -0.02 1.74 0.00 -0.83 0.00 -1.73 -1.66 119.26 116.76 3krt h ALA 282 Ca -0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3krt h ALA 282 Cb 1.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3krt h ALA 282 CO 0.03 0.14 -0.59 0.93 0.00 0.00 0.00 179.25 179.76 3krt h GLU 283 N 0.71 0.00 -2.20 0.00 4.39 -1.39 -3.48 114.58 112.61 3krt h GLU 283 Ca 0.31 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.76 3krt h GLU 283 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3krt h GLU 283 CO -0.10 0.11 -0.34 0.41 -1.16 0.00 0.00 179.01 177.92 3krt n GLY 284 N 1.18 -0.13 3.69 -3.84 0.00 -0.51 -4.95 105.19 100.63 3krt n GLY 284 Ca 0.01 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 3krt n GLY 284 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3krt n TYR 285 N -4.02 2.51 -3.83 1.61 4.01 -1.05 -4.95 117.16 111.44 3krt n TYR 285 Ca -0.12 0.08 -0.30 0.00 -0.16 0.00 0.00 57.90 57.39 3krt n TYR 285 Cb 0.60 -2.64 -0.14 0.00 -0.31 0.00 0.00 39.34 36.86 3krt n TYR 285 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3krt s ARG 286 N 1.70 1.60 0.42 -0.72 3.00 -1.26 -4.97 118.95 118.72 3krt s ARG 286 Ca 0.80 -2.26 0.19 0.00 0.00 0.00 0.00 55.73 54.46 3krt s ARG 286 Cb -0.58 -2.82 0.93 0.00 0.00 0.00 0.00 34.95 32.48 3krt s ARG 286 CO 0.37 -1.12 1.87 0.74 0.00 0.00 0.00 175.30 177.16 3krt h PHE 287 N 6.69 0.00 -3.35 -0.53 0.04 -1.88 -3.41 116.94 114.50 3krt h PHE 287 Ca -0.05 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.08 3krt h PHE 287 Cb 0.92 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 38.86 3krt h PHE 287 CO 0.50 0.29 -0.66 -1.58 -0.60 0.00 0.00 178.31 176.25 3krt s TRP 288 N -4.00 3.03 0.10 -0.55 0.52 -1.26 -1.06 118.94 115.71 3krt s TRP 288 Ca -0.02 -0.21 -0.14 0.00 0.02 0.00 0.00 56.10 55.75 3krt s TRP 288 Cb 0.13 -1.92 -0.11 0.00 -1.15 0.00 0.00 33.47 30.42 3krt s TRP 288 CO 0.67 0.06 1.37 0.87 0.02 0.00 0.00 176.95 179.93 3krt h LYS 289 N 6.39 0.74 0.00 4.98 1.57 -1.41 -3.47 116.57 125.37 3krt h LYS 289 Ca -0.35 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 3krt h LYS 289 Cb 1.19 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3krt h LYS 289 CO 0.61 1.10 0.00 -0.40 -0.57 0.00 0.00 179.45 180.19 3krt n ASP 290 N -4.14 0.00 0.00 0.86 5.68 -1.22 -5.04 116.55 112.69 3krt n ASP 290 Ca -0.05 -0.09 0.09 0.00 -0.50 0.00 0.00 54.79 54.24 3krt n ASP 290 Cb 0.58 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.98 3krt n ASP 290 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3krt n GLU 291 N 0.00 0.08 0.00 0.11 0.28 -1.26 -3.48 120.64 116.36 3krt n GLU 291 Ca 0.00 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 3krt n GLU 291 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 3krt n GLU 291 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3krt n ASN 292 N -1.44 0.68 -3.70 -1.84 4.13 -1.26 -5.03 115.26 106.80 3krt n ASN 292 Ca 0.06 -1.17 -0.21 0.00 1.68 0.00 0.00 54.58 54.94 3krt n ASN 292 Cb 0.20 0.00 -0.18 0.00 -1.54 0.00 0.00 39.78 38.26 3krt n ASN 292 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3krt s THR 293 N -0.17 0.04 0.50 3.41 -1.32 -1.23 -5.12 115.64 111.77 3krt s THR 293 Ca 0.00 0.30 -0.06 0.00 -1.21 0.00 0.00 61.69 60.72 3krt s THR 293 Cb 0.00 -0.29 -0.03 0.00 -1.51 0.00 0.00 72.50 70.66 3krt s THR 293 CO 0.00 0.18 0.81 -1.10 -2.21 0.00 0.00 174.62 172.30 3krt s GLN 294 N 2.11 3.47 -0.36 7.08 -0.21 -1.26 -1.22 119.66 129.25 3krt s GLN 294 Ca 0.05 0.20 0.03 0.00 0.02 0.00 0.00 55.36 55.65 3krt s GLN 294 Cb -0.12 -2.35 0.11 0.00 1.00 0.00 0.00 33.01 31.65 3krt s GLN 294 CO -0.04 -0.28 0.11 0.34 -2.12 0.00 0.00 175.29 173.29 3krt s ASP 295 N -4.14 4.43 0.62 5.90 2.15 -0.22 -4.74 116.67 120.67 3krt s ASP 295 Ca 0.49 -2.18 0.40 0.00 0.43 0.00 0.00 52.55 51.68 3krt s ASP 295 Cb -0.10 -1.39 2.02 0.00 -0.30 0.00 0.00 42.92 43.15 3krt s ASP 295 CO 0.45 -0.36 2.23 -0.65 -0.17 0.00 0.00 175.17 176.68 3krt h PRO 296 N 7.51 0.00 -0.42 4.34 0.11 -1.96 -1.87 132.00 139.70 3krt h PRO 296 Ca -0.07 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 3krt h PRO 296 Cb 0.99 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3krt h PRO 296 CO 0.53 0.01 0.07 0.87 -0.21 0.00 0.00 178.00 179.27 3krt h LYS 297 N 0.00 0.64 -0.10 1.05 1.57 -1.96 -1.92 116.57 115.84 3krt h LYS 297 Ca -0.00 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 3krt h LYS 297 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3krt h LYS 297 CO 0.00 0.61 -0.60 0.93 -0.57 0.00 0.00 179.45 179.82 3krt h GLU 298 N 0.62 0.36 -0.19 3.15 4.39 -1.64 -2.44 114.58 118.81 3krt h GLU 298 Ca 0.14 -0.24 0.02 0.00 0.34 0.00 0.00 59.36 59.62 3krt h GLU 298 Cb 0.28 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3krt h GLU 298 CO 0.00 0.85 0.04 -1.49 -1.16 0.00 0.00 179.01 177.25 3krt h TRP 299 N 0.26 0.06 -0.61 4.33 6.55 -1.36 -1.01 115.95 124.18 3krt h TRP 299 Ca -0.01 0.01 -0.09 0.00 0.95 0.00 0.00 58.89 59.75 3krt h TRP 299 Cb 1.13 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.40 3krt h TRP 299 CO 0.03 0.02 0.02 0.87 -1.05 0.00 0.00 178.44 178.33 3krt h LYS 300 N 0.12 1.07 -0.07 0.49 1.79 -1.37 0.52 116.57 119.12 3krt h LYS 300 Ca 0.09 -0.33 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 3krt h LYS 300 Cb 0.08 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 3krt h LYS 300 CO -0.12 1.04 0.03 -0.09 -1.08 0.00 0.00 179.45 179.23 3krt h ARG 301 N 0.97 0.10 -0.51 3.15 2.43 -1.27 0.22 114.38 119.46 3krt h ARG 301 Ca 0.18 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.42 3krt h ARG 301 Cb 0.54 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.00 3krt h ARG 301 CO 0.03 0.17 0.10 0.35 -1.51 0.00 0.00 179.97 179.12 3krt h PHE 302 N -0.00 0.17 -0.80 2.20 3.57 -1.07 -2.19 116.94 118.82 3krt h PHE 302 Ca 0.02 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.60 3krt h PHE 302 Cb 0.11 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 3krt h PHE 302 CO -0.04 -0.01 0.50 0.78 -2.23 0.00 0.00 178.31 177.31 3krt h GLY 303 N 0.24 1.17 0.96 2.40 0.00 -0.03 -2.12 103.07 105.69 3krt h GLY 303 Ca 0.26 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3krt h GLY 303 CO -0.34 0.29 0.21 1.70 0.00 0.00 0.00 176.54 178.40 3krt h LYS 304 N 0.95 0.66 -0.14 4.80 1.63 -0.18 -1.61 116.57 122.66 3krt h LYS 304 Ca 0.33 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 60.05 3krt h LYS 304 Cb 0.07 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 3krt h LYS 304 CO -0.14 0.57 0.01 -0.09 -3.45 0.00 0.00 179.45 176.36 3krt h ARG 305 N 0.58 0.06 -0.53 1.90 9.65 -0.96 -0.38 114.38 124.71 3krt h ARG 305 Ca 0.15 -0.00 0.11 0.00 -1.10 0.00 0.00 59.98 59.14 3krt h ARG 305 Cb 0.14 -0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 28.60 3krt h ARG 305 CO -0.02 0.04 -0.15 0.82 2.80 0.00 0.00 179.97 183.46 3krt h ILE 306 N 0.07 0.44 -0.15 1.20 2.04 -1.27 -1.91 117.51 117.93 3krt h ILE 306 Ca 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 3krt h ILE 306 Cb 0.07 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3krt h ILE 306 CO -0.10 0.00 -0.03 0.03 0.00 0.00 0.00 178.15 178.05 3krt h ARG 307 N -0.02 0.21 -0.18 2.37 3.08 -0.76 0.88 114.38 119.96 3krt h ARG 307 Ca 0.25 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3krt h ARG 307 Cb 0.41 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3krt h ARG 307 CO -0.56 0.26 0.10 0.93 -1.07 0.00 0.00 179.97 179.63 3krt h GLU 308 N 0.21 0.26 -0.10 0.04 5.08 -0.34 0.55 114.58 120.28 3krt h GLU 308 Ca 0.05 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 3krt h GLU 308 Cb 0.19 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3krt h GLU 308 CO 0.01 0.26 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.71 3krt h LEU 309 N 0.18 0.27 0.00 1.33 4.07 -0.54 -3.16 115.31 117.46 3krt h LEU 309 Ca 0.06 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3krt h LEU 309 Cb 0.08 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.75 3krt h LEU 309 CO -0.01 0.72 -0.73 0.35 -1.08 0.00 0.00 178.44 177.69 3krt n THR 310 N -3.96 0.21 -2.50 0.22 -2.24 0.19 -4.93 114.28 101.27 3krt n THR 310 Ca -0.02 -0.20 -0.05 0.00 -2.27 0.00 0.00 64.05 61.51 3krt n THR 310 Cb 0.54 0.09 0.03 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.27 1.15 3.38 0.00 -0.19 -4.22 105.19 106.96 3krt n GLY 311 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.02 0.69 3.78 -0.02 0.00 0.18 -5.03 105.19 103.77 3krt n GLY 312 Ca -0.07 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.64 3.00 0.20 1.61 2.02 -1.26 -5.03 118.70 118.60 3krt s GLU 313 Ca 0.00 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.40 3krt s GLU 313 Cb 0.00 -2.81 0.04 0.00 0.10 0.00 0.00 34.13 31.47 3krt s GLU 313 CO 0.00 0.61 0.28 -0.25 0.02 0.00 0.00 175.26 175.92 3krt n ASP 314 N 0.82 0.28 -4.56 -0.19 8.00 -1.26 -4.45 116.55 115.19 3krt n ASP 314 Ca -0.11 -1.26 -0.40 0.00 0.71 0.00 0.00 54.79 53.73 3krt n ASP 314 Cb 0.52 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 41.34 3krt n ASP 314 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3krt s ILE 315 N -0.87 5.15 0.16 0.53 -1.09 -1.19 -4.70 121.20 119.20 3krt s ILE 315 Ca 0.18 0.20 -0.10 0.00 -2.23 0.00 0.00 60.65 58.69 3krt s ILE 315 Cb -0.01 -3.81 0.03 0.00 -1.58 0.00 0.00 42.46 37.09 3krt s ILE 315 CO 0.12 -0.06 1.60 0.44 -1.23 0.00 0.00 174.94 175.81 3krt h ASP 316 N 8.40 0.99 -3.30 3.58 3.32 -1.59 0.41 116.42 128.23 3krt h ASP 316 Ca -0.30 -0.34 -0.38 0.00 0.02 0.00 0.00 57.03 56.03 3krt h ASP 316 Cb 1.15 -0.27 -0.39 0.00 0.22 0.00 0.00 39.33 40.04 3krt h ASP 316 CO 0.69 1.09 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.93 3krt s ILE 317 N -4.91 0.01 -0.23 0.35 1.01 -0.83 -1.14 121.20 115.46 3krt s ILE 317 Ca -0.12 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.75 3krt s ILE 317 Cb 0.13 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.31 3krt s ILE 317 CO 0.85 0.20 0.27 -0.69 0.00 0.00 0.00 174.94 175.57 3krt s VAL 318 N 2.09 5.28 -0.84 2.92 1.01 0.57 -0.84 120.40 130.58 3krt s VAL 318 Ca 0.05 0.41 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 3krt s VAL 318 Cb -0.12 -3.60 0.15 0.00 0.00 0.00 0.00 36.38 32.81 3krt s VAL 318 CO -0.04 0.29 0.95 0.12 0.00 0.00 0.00 175.10 176.43 3krt s PHE 319 N 1.25 3.27 0.31 5.22 5.36 0.13 -0.96 117.98 132.56 3krt s PHE 319 Ca 0.12 -1.47 -0.08 0.00 -0.96 0.00 0.00 56.93 54.54 3krt s PHE 319 Cb -0.14 -4.11 -0.06 0.00 -0.34 0.00 0.00 43.02 38.37 3krt s PHE 319 CO 0.06 -1.32 0.62 -1.21 -1.46 0.00 0.00 175.22 171.92 3krt s GLU 320 N 2.00 3.73 0.00 10.12 0.41 -0.32 -3.32 118.70 131.33 3krt s GLU 320 Ca 0.25 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 55.04 3krt s GLU 320 Cb -0.10 -2.56 0.00 0.00 -1.78 0.00 0.00 34.13 29.69 3krt s GLU 320 CO -0.06 0.16 0.00 -2.39 -0.49 0.00 0.00 175.26 172.48 3krt n HIS 321 N -0.83 0.00 0.20 1.61 1.44 -1.26 -3.39 115.22 112.98 3krt n HIS 321 Ca 0.00 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.78 3krt n HIS 321 Cb 0.54 0.00 0.37 0.00 0.12 0.00 0.00 29.99 31.02 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 -1.91 -1.71 132.00 127.09 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 0.34 0.00 0.41 -0.21 0.00 0.00 178.00 178.54 3krt n GLY 323 N 0.13 0.81 0.38 -0.55 0.00 -1.26 0.17 105.19 104.88 3krt n GLY 323 Ca -0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.20 -0.98 1.61 2.43 -1.57 0.24 114.38 115.91 3krt h ARG 324 Ca 0.00 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.40 3krt h ARG 324 Cb 0.00 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 3krt h ARG 324 CO 0.00 -0.13 0.62 1.49 -1.51 0.00 0.00 179.97 180.44 3krt h GLU 325 N -0.20 0.52 0.00 0.20 4.57 -1.82 -3.20 114.58 114.64 3krt h GLU 325 Ca 0.20 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3krt h GLU 325 Cb 0.56 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3krt h GLU 325 CO -0.70 0.35 -1.18 -2.37 -1.18 0.00 0.00 179.01 173.93 3krt n THR 326 N -4.64 0.00 -0.22 0.32 5.66 -0.46 -4.66 114.28 110.28 3krt n THR 326 Ca 0.23 -0.21 -0.07 0.00 -3.05 0.00 0.00 64.05 60.95 3krt n THR 326 Cb 0.71 0.44 0.03 0.00 -1.55 0.00 0.00 70.33 69.96 3krt n THR 326 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 3krt h PHE 327 N 0.00 0.93 -0.40 1.09 3.57 -0.59 -0.84 116.94 120.70 3krt h PHE 327 Ca 0.00 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.51 3krt h PHE 327 Cb 0.33 -0.28 -0.08 0.00 2.79 0.00 0.00 35.95 38.71 3krt h PHE 327 CO 0.00 0.74 -0.15 0.78 -2.23 0.00 0.00 178.31 177.45 3krt h GLY 328 N 0.84 0.19 0.87 2.40 0.00 -1.78 -1.08 103.07 104.51 3krt h GLY 328 Ca 0.20 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 3krt h GLY 328 CO -0.02 -0.18 0.06 0.00 0.00 0.00 0.00 176.54 176.41 3krt h ALA 329 N 1.27 0.22 -0.51 3.60 0.00 -1.71 -2.33 119.26 119.80 3krt h ALA 329 Ca 0.20 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3krt h ALA 329 Cb 0.37 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 3krt h ALA 329 CO -0.45 -0.18 -0.11 0.77 0.00 0.00 0.00 179.25 179.28 3krt h SER 330 N 0.11 -0.44 -0.72 0.00 0.02 -0.90 -0.10 113.55 111.51 3krt h SER 330 Ca 0.06 0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 3krt h SER 330 Cb 0.19 0.30 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3krt h SER 330 CO -0.00 -0.16 0.19 0.58 -1.14 0.00 0.00 176.83 176.30 3krt h VAL 331 N 0.01 1.26 -0.61 2.27 2.07 -1.08 -3.06 116.25 117.11 3krt h VAL 331 Ca 0.25 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3krt h VAL 331 Cb 0.38 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3krt h VAL 331 CO -0.51 0.37 0.27 0.15 0.02 0.00 0.00 177.57 177.86 3krt h PHE 332 N 1.09 0.92 0.00 1.57 3.57 -0.77 -3.24 116.94 120.07 3krt h PHE 332 Ca 0.23 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3krt h PHE 332 Cb 0.35 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3krt h PHE 332 CO 0.03 0.72 -0.21 1.33 -2.23 0.00 0.00 178.31 177.95 3krt n VAL 333 N -4.47 0.49 -2.48 1.41 0.24 -0.13 -4.86 118.33 108.53 3krt n VAL 333 Ca 0.04 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.34 61.67 3krt n VAL 333 Cb 0.15 -0.42 -0.04 0.00 -1.47 0.00 0.00 33.84 32.05 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 -3.12 3.51 0.58 3.34 -4.23 -1.17 -3.15 115.64 111.40 3krt s THR 334 Ca 0.09 1.51 -0.19 0.00 -1.18 0.00 0.00 61.69 61.92 3krt s THR 334 Cb 0.13 -3.96 -0.06 0.00 1.34 0.00 0.00 72.50 69.95 3krt s THR 334 CO 0.64 0.35 0.92 -1.14 -0.54 0.00 0.00 174.62 174.86 3krt n ARG 335 N 1.26 0.91 -1.66 3.99 0.63 0.14 -4.77 116.66 117.16 3krt n ARG 335 Ca -0.01 0.35 -0.56 0.00 -0.92 0.00 0.00 57.85 56.71 3krt n ARG 335 Cb 0.45 -2.11 -0.07 0.00 0.45 0.00 0.00 32.46 31.18 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 -0.80 1.03 -1.00 -0.14 4.81 -1.26 -0.01 118.16 120.79 3krt n LYS 336 Ca 0.13 0.38 -0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3krt n LYS 336 Cb 0.47 -2.03 -0.00 0.00 0.02 0.00 0.00 35.03 33.49 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 3.47 0.47 2.14 3.14 0.00 0.12 -5.01 105.19 109.53 3krt n GLY 337 Ca 0.24 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3krt n GLY 337 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krt n GLY 338 N -2.77 0.22 3.02 -0.02 0.00 0.98 -4.87 105.19 101.76 3krt n GLY 338 Ca -0.00 -1.92 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 3krt n GLY 338 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3krt s THR 339 N -1.83 0.99 -0.23 2.61 2.01 -0.29 -1.75 115.64 117.15 3krt s THR 339 Ca 0.38 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.87 3krt s THR 339 Cb -0.02 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 3krt s THR 339 CO 0.25 0.31 0.05 -0.63 -0.69 0.00 0.00 174.62 173.91 3krt s ILE 340 N 0.35 4.20 -0.17 1.82 1.09 0.64 -0.32 121.20 128.81 3krt s ILE 340 Ca -0.07 -0.22 -0.01 0.00 -1.10 0.00 0.00 60.65 59.25 3krt s ILE 340 Cb -0.12 -2.94 -0.01 0.00 -1.06 0.00 0.00 42.46 38.34 3krt s ILE 340 CO 0.02 0.37 -0.11 0.28 -0.10 0.00 0.00 174.94 175.40 3krt s THR 341 N 1.37 3.00 -0.05 2.92 -1.32 -0.13 0.08 115.64 121.51 3krt s THR 341 Ca 0.05 -0.65 0.04 0.00 -1.21 0.00 0.00 61.69 59.92 3krt s THR 341 Cb -0.15 -2.29 -0.00 0.00 -1.51 0.00 0.00 72.50 68.55 3krt s THR 341 CO 0.03 0.49 -0.17 0.28 -2.21 0.00 0.00 174.62 173.04 3krt s THR 342 N 0.85 1.45 0.00 5.08 -1.32 0.24 -1.17 115.64 120.77 3krt s THR 342 Ca -0.03 -0.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.72 3krt s THR 342 Cb -0.15 -1.25 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 3krt s THR 342 CO 0.00 0.42 0.75 0.00 -2.21 0.00 0.00 174.62 173.58 3krt s ALA 344 N -0.53 -1.91 -0.43 0.00 0.00 -1.26 -4.89 121.76 112.73 3krt s ALA 344 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.16 3krt s ALA 344 Cb 0.00 0.64 0.28 0.00 0.00 0.00 0.00 23.12 24.04 3krt s ALA 344 CO 0.00 -1.07 0.81 0.43 0.00 0.00 0.00 175.76 175.93 3krt n SER 345 N -0.80 -1.25 0.24 0.00 7.64 -1.11 -4.29 113.62 114.06 3krt n SER 345 Ca -0.04 -3.17 0.11 0.00 1.01 0.00 0.00 58.87 56.78 3krt n SER 345 Cb 0.61 0.73 0.61 0.00 -1.01 0.00 0.00 64.21 65.15 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 2.36 0.58 -0.01 0.44 1.35 -0.97 -0.91 112.91 115.74 3krt h THR 346 Ca -0.03 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3krt h THR 346 Cb 0.99 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3krt h THR 346 CO 0.35 0.17 -0.06 -1.54 -0.25 0.00 0.00 175.52 174.19 3krt n SER 347 N -3.54 1.34 0.00 5.36 3.41 0.13 -5.00 113.62 115.32 3krt n SER 347 Ca -0.01 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 3krt n SER 347 Cb 0.32 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 1.21 4.67 0.27 5.00 0.00 -0.35 -4.64 105.19 111.36 3krt n GLY 348 Ca 0.17 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.12 0.00 -2.87 1.61 0.18 -1.25 -1.64 117.16 112.07 3krt n TYR 349 Ca 0.00 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.35 3krt n TYR 349 Cb 0.00 -0.10 -0.04 0.00 -0.38 0.00 0.00 39.34 38.82 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 -2.54 3.14 0.07 -3.48 -1.94 -1.26 -4.94 119.30 108.35 3krt s MET 350 Ca 0.22 -0.75 -0.20 0.00 -1.71 0.00 0.00 55.69 53.24 3krt s MET 350 Cb 0.19 -4.20 -0.07 0.00 2.01 0.00 0.00 34.83 32.77 3krt s MET 350 CO 0.55 -1.74 0.60 -1.01 -0.01 0.00 0.00 175.02 173.41 3krt s HIS 351 N 3.97 3.80 -0.07 -0.03 3.76 -1.26 -4.63 115.29 120.82 3krt s HIS 351 Ca 0.23 1.30 0.02 0.00 -0.15 0.00 0.00 55.06 56.46 3krt s HIS 351 Cb -0.16 -2.55 0.01 0.00 1.11 0.00 0.00 32.58 30.99 3krt s HIS 351 CO 0.12 0.54 -0.13 -2.00 -0.85 0.00 0.00 174.74 172.42 3krt s GLU 352 N -0.94 1.77 0.11 1.40 2.12 -1.26 -5.09 118.70 116.81 3krt s GLU 352 Ca 0.30 -0.43 -0.09 0.00 0.36 0.00 0.00 54.97 55.11 3krt s GLU 352 Cb -0.20 -1.48 0.00 0.00 0.26 0.00 0.00 34.13 32.71 3krt s GLU 352 CO 0.19 0.01 0.24 1.52 -0.54 0.00 0.00 175.26 176.68 3krt s TYR 353 N 0.74 0.18 -0.51 5.30 -0.85 -1.26 -3.58 117.35 117.37 3krt s TYR 353 Ca -0.13 -0.59 -0.23 0.00 -0.52 0.00 0.00 57.07 55.60 3krt s TYR 353 Cb -0.16 -0.03 0.04 0.00 0.38 0.00 0.00 41.96 42.20 3krt s TYR 353 CO 0.03 -0.61 0.84 0.34 -1.52 0.00 0.00 175.55 174.62 3krt s ASP 354 N -2.89 6.34 0.51 -0.18 -1.08 -1.26 -4.92 116.67 113.19 3krt s ASP 354 Ca 0.08 -0.37 0.20 0.00 -0.52 0.00 0.00 52.55 51.94 3krt s ASP 354 Cb 0.04 -2.39 1.31 0.00 -1.46 0.00 0.00 42.92 40.42 3krt s ASP 354 CO -0.08 -1.07 2.09 -1.13 0.52 0.00 0.00 175.17 175.51 3krt h ASN 355 N 9.15 0.00 -0.87 -0.34 -1.24 -2.00 -2.45 115.58 117.83 3krt h ASN 355 Ca -0.26 0.00 0.16 0.00 0.71 0.00 0.00 56.30 56.91 3krt h ASN 355 Cb 1.08 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 40.03 3krt h ASN 355 CO 1.03 0.10 0.45 0.03 -1.29 0.00 0.00 177.43 177.74 3krt h ARG 356 N 0.00 0.58 -0.05 6.67 3.08 -1.99 0.15 114.38 122.81 3krt h ARG 356 Ca -0.00 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3krt h ARG 356 Cb 0.19 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3krt h ARG 356 CO 0.01 0.38 -0.31 1.88 -1.07 0.00 0.00 179.97 180.86 3krt h TYR 357 N 0.60 0.10 -0.00 3.04 0.05 -1.83 -1.90 116.97 117.01 3krt h TYR 357 Ca 0.49 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.24 3krt h TYR 357 Cb 0.75 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.47 3krt h TYR 357 CO -0.09 0.40 -0.05 1.25 -1.05 0.00 0.00 178.16 178.61 3krt h LEU 358 N 0.08 0.05 0.24 3.88 5.85 -0.85 -3.22 115.31 121.34 3krt h LEU 358 Ca 0.01 -0.73 -0.32 0.00 0.84 0.00 0.00 57.88 57.69 3krt h LEU 358 Cb 0.60 -0.02 0.04 0.00 0.37 0.00 0.00 40.66 41.65 3krt h LEU 358 CO 0.04 0.77 -1.38 4.11 -0.34 0.00 0.00 178.44 181.64 3krt h TRP 359 N -0.66 0.93 0.00 1.25 0.09 -1.06 -0.73 115.95 115.78 3krt h TRP 359 Ca -0.01 -0.68 -0.02 0.00 0.09 0.00 0.00 58.89 58.28 3krt h TRP 359 Cb 0.78 -0.04 -0.00 0.00 0.08 0.00 0.00 29.16 29.98 3krt h TRP 359 CO 0.18 1.53 -0.09 0.52 0.09 0.00 0.00 178.44 180.67 3krt h MET 360 N 0.08 0.00 -0.30 0.12 2.86 -1.53 -2.86 114.93 113.29 3krt h MET 360 Ca -0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3krt h MET 360 Cb 2.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.75 3krt h MET 360 CO 0.26 0.09 0.00 0.43 1.06 0.00 0.00 176.91 178.75 3krt n SER 361 N -3.21 2.93 -3.73 1.22 7.64 -1.22 -5.00 113.62 112.25 3krt n SER 361 Ca 0.01 -2.12 -0.25 0.00 1.01 0.00 0.00 58.87 57.52 3krt n SER 361 Cb 0.38 -0.24 0.05 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.29 -3.06 -4.96 -3.43 4.32 -1.00 0.16 117.00 109.32 3krt n LEU 362 Ca 0.11 -0.70 -0.22 0.00 -0.02 0.00 0.00 56.01 55.18 3krt n LEU 362 Cb 0.46 -2.78 0.01 0.00 -1.62 0.00 0.00 43.42 39.50 3krt n LEU 362 CO 0.08 0.51 0.29 -0.54 -1.22 0.00 0.00 177.39 176.50 3krt s LYS 363 N -6.28 2.98 -0.03 3.23 1.02 -0.31 -3.41 119.74 116.94 3krt s LYS 363 Ca 0.45 -0.55 0.03 0.00 0.02 0.00 0.00 55.97 55.92 3krt s LYS 363 Cb -0.22 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 3krt s LYS 363 CO 0.79 -0.33 -0.10 1.03 -0.92 0.00 0.00 175.35 175.81 3krt s ARG 364 N -4.58 1.09 -0.26 1.68 0.52 -0.71 -4.83 118.95 111.85 3krt s ARG 364 Ca 0.50 -0.35 -0.07 0.00 -0.52 0.00 0.00 55.73 55.29 3krt s ARG 364 Cb -0.10 -1.00 -0.01 0.00 0.52 0.00 0.00 34.95 34.36 3krt s ARG 364 CO 0.38 0.13 0.06 0.42 0.02 0.00 0.00 175.30 176.31 3krt s ILE 365 N 0.17 4.07 -0.19 1.52 1.01 -1.26 -0.26 121.20 126.27 3krt s ILE 365 Ca -0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 3krt s ILE 365 Cb -0.09 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 3krt s ILE 365 CO 0.01 0.25 -0.05 -0.63 0.00 0.00 0.00 174.94 174.52 3krt s ILE 366 N 1.56 3.53 0.11 2.92 1.01 0.11 -4.98 121.20 125.46 3krt s ILE 366 Ca 0.05 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 60.06 3krt s ILE 366 Cb -0.16 -2.57 -0.07 0.00 0.01 0.00 0.00 42.46 39.67 3krt s ILE 366 CO 0.02 0.46 0.57 -0.83 0.00 0.00 0.00 174.94 175.16 3krt s GLY 367 N 0.94 2.58 0.02 6.18 0.00 -1.26 -0.59 107.32 115.20 3krt s GLY 367 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 44.72 44.60 3krt s GLY 367 CO 0.01 0.34 0.19 -0.45 0.00 0.00 0.00 173.10 173.19 3krt s SER 368 N -1.37 0.00 -0.22 1.64 0.15 -0.16 -4.90 113.70 108.85 3krt s SER 368 Ca 0.33 -0.25 -0.08 0.00 0.70 0.00 0.00 55.95 56.65 3krt s SER 368 Cb -0.18 0.26 0.09 0.00 -1.71 0.00 0.00 66.02 64.49 3krt s SER 368 CO 0.19 -0.47 0.48 -2.28 1.20 0.00 0.00 173.24 172.35 3krt s HIS 369 N -1.96 -0.89 0.00 3.44 2.46 -1.26 -4.04 115.29 113.04 3krt s HIS 369 Ca -0.10 1.68 0.00 0.00 0.47 0.00 0.00 55.06 57.11 3krt s HIS 369 Cb -0.04 0.41 0.00 0.00 -0.13 0.00 0.00 32.58 32.82 3krt s HIS 369 CO -0.01 -0.50 0.00 1.19 -2.47 0.00 0.00 174.74 172.95 3krt n PHE 370 N 5.17 0.00 -3.59 3.88 3.72 -1.26 -4.78 117.46 120.60 3krt n PHE 370 Ca -0.12 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.14 3krt n PHE 370 Cb 0.51 0.00 -0.06 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 -1.22 -1.85 0.95 4.37 0.00 -1.26 -4.19 121.76 118.55 3krt s ALA 371 Ca 0.00 1.68 -0.12 0.00 0.00 0.00 0.00 51.96 53.51 3krt s ALA 371 Cb 0.00 -0.76 0.16 0.00 0.00 0.00 0.00 23.12 22.52 3krt s ALA 371 CO 0.00 -0.32 1.12 0.54 0.00 0.00 0.00 175.76 177.10 3krt s ASN 372 N -0.47 3.11 0.25 0.00 2.20 -1.26 -4.81 114.94 113.97 3krt s ASN 372 Ca -0.03 1.02 0.07 0.00 -0.94 0.00 0.00 52.86 52.98 3krt s ASN 372 Cb -0.02 -1.62 0.31 0.00 -2.00 0.00 0.00 41.25 37.91 3krt s ASN 372 CO 0.02 -2.81 1.59 0.22 -2.94 0.00 0.00 177.10 173.19 3krt h TYR 373 N -1.67 0.19 -0.09 1.54 3.20 -1.96 -0.04 116.97 118.13 3krt h TYR 373 Ca -0.52 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.28 3krt h TYR 373 Cb 1.33 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.57 3krt h TYR 373 CO 0.24 0.71 0.05 -0.09 -1.64 0.00 0.00 178.16 177.43 3krt h ARG 374 N 0.11 0.13 -0.29 1.82 2.43 -1.98 -0.04 114.38 116.56 3krt h ARG 374 Ca -0.01 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3krt h ARG 374 Cb 1.08 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 3krt h ARG 374 CO 0.09 0.18 -0.03 0.93 -1.51 0.00 0.00 179.97 179.63 3krt h GLU 375 N 0.04 0.05 -0.64 0.20 5.08 -1.81 -1.58 114.58 115.93 3krt h GLU 375 Ca 0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3krt h GLU 375 Cb 0.09 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3krt h GLU 375 CO -0.00 0.03 0.37 0.00 -1.00 0.00 0.00 179.01 178.41 3krt h ALA 376 N 1.27 0.81 -0.73 3.43 0.00 -0.92 -0.09 119.26 123.03 3krt h ALA 376 Ca 0.14 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3krt h ALA 376 Cb 0.20 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3krt h ALA 376 CO -0.26 0.30 0.38 2.35 0.00 0.00 0.00 179.25 182.02 3krt h TRP 377 N 0.87 0.68 -0.25 0.00 2.91 -0.75 0.29 115.95 119.69 3krt h TRP 377 Ca 0.23 0.03 -0.16 0.00 1.13 0.00 0.00 58.89 60.11 3krt h TRP 377 Cb -0.00 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.44 3krt h TRP 377 CO -0.01 0.26 -0.50 0.93 -1.03 0.00 0.00 178.44 178.09 3krt h GLU 378 N 0.65 0.69 -0.38 2.65 5.08 -0.81 -0.88 114.58 121.58 3krt h GLU 378 Ca 0.35 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3krt h GLU 378 Cb 0.35 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3krt h GLU 378 CO -0.26 1.03 0.17 0.00 -1.00 0.00 0.00 179.01 178.95 3krt h ALA 379 N 0.90 0.49 -0.09 3.43 0.00 -0.58 -2.46 119.26 120.94 3krt h ALA 379 Ca 0.02 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 3krt h ALA 379 Cb 1.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3krt h ALA 379 CO 0.10 0.07 -0.58 -0.97 0.00 0.00 0.00 179.25 177.88 3krt h ASN 380 N 0.47 0.33 -0.76 0.00 -1.24 -0.91 -2.90 115.58 110.57 3krt h ASN 380 Ca 0.13 -0.18 0.01 0.00 0.71 0.00 0.00 56.30 56.97 3krt h ASN 380 Cb 0.15 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 3krt h ASN 380 CO -0.01 0.84 0.50 -0.09 -1.29 0.00 0.00 177.43 177.37 3krt h ARG 381 N 0.23 0.98 -0.80 6.67 2.43 -1.09 -0.63 114.38 122.17 3krt h ARG 381 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3krt h ARG 381 Cb 1.08 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 3krt h ARG 381 CO 0.09 0.65 0.50 -0.07 -1.51 0.00 0.00 179.97 179.63 3krt h LEU 382 N 1.01 0.94 0.07 3.80 3.38 -1.33 0.25 115.31 123.43 3krt h LEU 382 Ca 0.28 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.22 3krt h LEU 382 Cb -0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3krt h LEU 382 CO -0.07 0.70 -0.15 0.40 0.09 0.00 0.00 178.44 179.42 3krt h ILE 383 N 1.09 0.66 -0.88 1.22 1.08 -1.29 -1.27 117.51 118.12 3krt h ILE 383 Ca 0.29 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.83 3krt h ILE 383 Cb -0.08 0.66 -0.06 0.00 -3.07 0.00 0.00 36.82 34.26 3krt h ILE 383 CO -0.06 0.00 0.54 0.00 -0.69 0.00 0.00 178.15 177.95 3krt h ALA 384 N 0.61 1.21 0.00 1.87 0.00 -0.50 0.10 119.26 122.55 3krt h ALA 384 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3krt h ALA 384 Cb 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3krt h ALA 384 CO -0.09 0.28 0.00 1.63 0.00 0.00 0.00 179.25 181.07 3krt n LYS 385 N -4.61 0.28 -1.83 0.00 5.02 0.84 -4.88 118.16 112.97 3krt n LYS 385 Ca 0.13 0.09 -0.07 0.00 -2.02 0.00 0.00 58.31 56.44 3krt n LYS 385 Cb 0.19 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.52 0.36 0.08 0.72 0.00 0.35 -4.91 105.19 102.32 3krt n GLY 386 Ca 0.10 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 -6.38 1.61 2.47 -1.43 -3.46 114.38 107.19 3krt h ARG 387 Ca -0.17 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.91 3krt h ARG 387 Cb 0.91 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 28.96 3krt h ARG 387 CO 0.21 0.57 -0.86 0.42 0.56 0.00 0.00 179.97 180.86 3krt s ILE 388 N -2.62 1.88 0.13 2.04 -1.09 -1.07 -4.86 121.20 115.62 3krt s ILE 388 Ca -0.04 -1.22 0.10 0.00 -2.23 0.00 0.00 60.65 57.26 3krt s ILE 388 Cb 0.08 -1.61 -0.04 0.00 -1.58 0.00 0.00 42.46 39.31 3krt s ILE 388 CO 0.82 0.34 -0.24 -1.00 -1.23 0.00 0.00 174.94 173.63 3krt s HIS 389 N -0.74 2.12 0.61 3.97 3.76 -1.26 -4.16 115.29 119.58 3krt s HIS 389 Ca 0.09 -0.39 -0.19 0.00 -0.15 0.00 0.00 55.06 54.42 3krt s HIS 389 Cb -0.09 -1.14 -0.03 0.00 1.11 0.00 0.00 32.58 32.43 3krt s HIS 389 CO 0.01 0.31 1.26 -1.25 -0.85 0.00 0.00 174.74 174.22 3krt s PRO 390 N -2.10 2.81 -0.38 8.40 0.04 -1.26 -4.96 135.00 137.55 3krt s PRO 390 Ca 0.12 1.96 0.07 0.00 0.04 0.00 0.00 61.00 63.19 3krt s PRO 390 Cb -0.10 -1.92 0.44 0.00 0.04 0.00 0.00 34.50 32.96 3krt s PRO 390 CO 0.06 -1.37 1.13 0.25 0.04 0.00 0.00 177.00 177.11 3krt n THR 391 N -1.67 2.32 -1.99 1.26 -2.24 -1.26 -4.73 114.28 105.97 3krt n THR 391 Ca 0.14 -4.56 -0.42 0.00 -2.27 0.00 0.00 64.05 56.95 3krt n THR 391 Cb 0.49 -1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 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 -3.54 4.37 -0.04 3.22 1.43 -1.26 -0.19 118.68 122.66 3krt s LEU 392 Ca 0.47 2.51 0.13 0.00 -1.03 0.00 0.00 54.13 56.21 3krt s LEU 392 Cb 0.40 -3.58 -0.19 0.00 0.03 0.00 0.00 46.19 42.85 3krt s LEU 392 CO -0.10 -0.80 0.23 -1.54 0.23 0.00 0.00 176.35 174.37 3krt n SER 393 N 4.40 2.03 -3.60 2.29 3.41 -0.73 -3.64 113.62 117.78 3krt n SER 393 Ca 0.14 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.59 3krt n SER 393 Cb 0.40 1.42 -0.07 0.00 -0.26 0.00 0.00 64.21 65.70 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 -2.77 0.90 -0.03 4.33 2.36 -1.25 -4.62 119.74 118.66 3krt s LYS 394 Ca -0.05 0.55 0.01 0.00 -2.55 0.00 0.00 55.97 53.93 3krt s LYS 394 Cb 0.07 0.43 0.02 0.00 -1.05 0.00 0.00 37.83 37.30 3krt s LYS 394 CO 0.53 -0.21 -0.01 0.08 1.55 0.00 0.00 175.35 177.29 3krt s VAL 395 N -0.46 0.26 0.23 4.02 1.01 -1.26 -1.47 120.40 122.73 3krt s VAL 395 Ca -0.06 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.01 3krt s VAL 395 Cb -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3krt s VAL 395 CO 0.05 0.15 0.08 -0.31 0.00 0.00 0.00 175.10 175.08 3krt s TYR 396 N 0.87 2.93 0.69 5.22 1.51 -0.34 -4.99 117.35 123.24 3krt s TYR 396 Ca -0.09 -0.14 -0.11 0.00 -1.01 0.00 0.00 57.07 55.72 3krt s TYR 396 Cb -0.13 -1.35 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 3krt s TYR 396 CO -0.01 0.55 1.07 -1.54 -1.11 0.00 0.00 175.55 174.51 3krt s SER 397 N -3.48 5.51 0.22 2.29 1.04 -1.26 -1.00 113.70 117.01 3krt s SER 397 Ca 0.31 1.10 -0.08 0.00 0.48 0.00 0.00 55.95 57.76 3krt s SER 397 Cb -0.08 -1.94 0.26 0.00 0.10 0.00 0.00 66.02 64.36 3krt s SER 397 CO 0.22 -1.28 1.82 0.25 0.98 0.00 0.00 173.24 175.23 3krt h LEU 398 N -0.58 0.62 -2.39 2.42 5.85 -1.55 -1.25 115.31 118.44 3krt h LEU 398 Ca -0.45 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3krt h LEU 398 Cb 1.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3krt h LEU 398 CO 0.63 0.40 0.00 1.05 -0.34 0.00 0.00 178.44 180.19 3krt h GLU 399 N 0.76 0.00 -0.52 1.25 4.11 -1.94 -2.25 114.58 115.98 3krt h GLU 399 Ca 0.31 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.68 3krt h GLU 399 Cb 0.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3krt h GLU 399 CO -0.17 0.00 0.07 -0.25 0.07 0.00 0.00 179.01 178.72 3krt n ASP 400 N -2.91 4.85 0.00 3.06 8.00 -0.48 -4.63 116.55 124.45 3krt n ASP 400 Ca -0.02 -3.08 0.01 0.00 0.71 0.00 0.00 54.79 52.41 3krt n ASP 400 Cb 0.11 -0.66 0.32 0.00 -0.02 0.00 0.00 41.12 40.87 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 2.90 1.18 -0.20 -3.53 2.02 -1.37 -1.76 112.91 112.16 3krt h THR 401 Ca 0.08 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 66.62 3krt h THR 401 Cb 1.92 0.88 -0.07 0.00 -1.74 0.00 0.00 68.15 69.14 3krt h THR 401 CO 0.48 0.24 -0.33 1.23 0.37 0.00 0.00 175.52 177.51 3krt h GLY 402 N 0.79 -0.42 0.71 2.16 0.00 -1.84 0.17 103.07 104.64 3krt h GLY 402 Ca 0.11 0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.92 3krt h GLY 402 CO 0.00 -0.22 0.51 -1.61 0.00 0.00 0.00 176.54 175.23 3krt h GLN 403 N -0.37 0.90 -0.48 4.80 5.75 -1.77 -0.60 115.11 123.35 3krt h GLN 403 Ca 0.11 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 3krt h GLN 403 Cb 0.55 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 3krt h GLN 403 CO -0.40 0.60 0.31 0.00 -2.65 0.00 0.00 178.83 176.69 3krt h ALA 404 N 1.40 0.60 -0.60 3.38 0.00 -0.51 -0.09 119.26 123.46 3krt h ALA 404 Ca 0.37 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3krt h ALA 404 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3krt h ALA 404 CO -0.18 0.04 0.05 0.00 0.00 0.00 0.00 179.25 179.17 3krt h ALA 405 N 1.18 0.80 -0.15 0.00 0.00 -0.20 -2.04 119.26 118.84 3krt h ALA 405 Ca 0.18 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3krt h ALA 405 Cb -0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 3krt h ALA 405 CO -0.04 0.59 -0.28 -0.92 0.00 0.00 0.00 179.25 178.59 3krt h TYR 406 N 0.91 -0.76 -0.57 0.00 3.20 -0.84 0.15 116.97 119.07 3krt h TYR 406 Ca 0.18 0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.15 3krt h TYR 406 Cb 0.48 0.36 -0.06 0.00 1.54 0.00 0.00 36.73 39.05 3krt h TYR 406 CO 0.04 -0.36 0.26 -0.44 -1.64 0.00 0.00 178.16 176.02 3krt h ASP 407 N -0.34 0.33 -0.11 -2.11 5.19 -0.71 -0.46 116.42 118.22 3krt h ASP 407 Ca 0.11 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 3krt h ASP 407 Cb 0.50 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 3krt h ASP 407 CO -0.34 0.22 0.02 0.58 -3.12 0.00 0.00 179.24 176.59 3krt h VAL 408 N 0.49 1.21 -0.99 -1.35 2.07 -1.21 -0.09 116.25 116.38 3krt h VAL 408 Ca 0.27 -0.67 0.30 0.00 0.82 0.00 0.00 66.70 67.42 3krt h VAL 408 Cb 0.24 1.46 -0.15 0.00 -1.52 0.00 0.00 31.29 31.33 3krt h VAL 408 CO -0.22 0.19 0.53 -0.74 0.02 0.00 0.00 177.57 177.35 3krt h HIS 409 N -0.05 0.87 -0.02 1.57 -0.00 -0.23 -0.77 115.15 116.52 3krt h HIS 409 Ca 0.03 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3krt h HIS 409 Cb 0.28 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 3krt h HIS 409 CO 0.02 -0.15 -0.03 0.54 -0.00 0.00 0.00 177.93 178.30 3krt n ARG 410 N -5.05 1.71 -3.62 5.26 5.12 -0.22 -4.97 116.66 114.89 3krt n ARG 410 Ca 0.30 -1.11 -0.24 0.00 -1.93 0.00 0.00 57.85 54.87 3krt n ARG 410 Cb 0.92 -1.48 0.07 0.00 -1.16 0.00 0.00 32.46 30.81 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 0.32 -5.47 0.10 0.55 3.02 -0.16 -4.91 115.26 108.70 3krt n ASN 411 Ca 0.17 -0.59 -0.04 0.00 -0.03 0.00 0.00 54.58 54.09 3krt n ASN 411 Cb 0.40 -4.88 0.13 0.00 -0.61 0.00 0.00 39.78 34.82 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 -2.51 0.21 -9.08 3.41 4.07 -1.51 -3.46 115.31 106.43 3krt h LEU 412 Ca -0.58 -0.12 -0.65 0.00 0.08 0.00 0.00 57.88 56.61 3krt h LEU 412 Cb 1.37 -0.06 -0.18 0.00 1.08 0.00 0.00 40.66 42.87 3krt h LEU 412 CO 0.57 0.77 -0.81 -1.00 -1.08 0.00 0.00 178.44 176.89 3krt s HIS 413 N -3.72 2.36 0.52 1.13 3.76 -1.26 -5.11 115.29 112.97 3krt s HIS 413 Ca -0.03 -0.33 -0.05 0.00 -0.15 0.00 0.00 55.06 54.49 3krt s HIS 413 Cb 0.12 -1.17 -0.02 0.00 1.11 0.00 0.00 32.58 32.62 3krt s HIS 413 CO 0.79 0.50 0.83 -0.65 -0.85 0.00 0.00 174.74 175.36 3krt s GLN 414 N -2.69 3.31 6.47 1.40 -1.52 -1.26 -4.91 119.66 120.46 3krt s GLN 414 Ca 0.21 0.12 0.00 0.00 -1.95 0.00 0.00 55.36 53.75 3krt s GLN 414 Cb -0.08 -2.34 0.00 0.00 -0.22 0.00 0.00 33.01 30.37 3krt s GLN 414 CO 0.11 -0.39 0.00 0.41 -0.25 0.00 0.00 175.29 175.16 3krt n GLY 415 N -2.38 2.84 3.64 3.09 0.00 0.53 -4.33 105.19 108.58 3krt n GLY 415 Ca 0.02 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 2.90 -0.34 1.61 -0.14 0.73 -3.30 119.74 121.20 3krt s LYS 416 Ca 0.00 -0.46 -0.14 0.00 -1.36 0.00 0.00 55.97 54.01 3krt s LYS 416 Cb 0.00 -2.71 -0.01 0.00 -1.68 0.00 0.00 37.83 33.42 3krt s LYS 416 CO 0.00 0.68 0.31 0.08 -0.76 0.00 0.00 175.35 175.66 3krt s VAL 417 N -0.84 5.22 0.33 3.17 1.01 -1.26 -1.77 120.40 126.26 3krt s VAL 417 Ca 0.13 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3krt s VAL 417 Cb -0.11 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3krt s VAL 417 CO 0.02 -0.06 0.50 -0.83 0.00 0.00 0.00 175.10 174.72 3krt s GLY 418 N 1.73 1.36 -0.05 4.51 0.00 -0.54 -1.59 107.32 112.74 3krt s GLY 418 Ca 0.09 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 3krt s GLY 418 CO 0.11 -1.04 0.02 0.14 0.00 0.00 0.00 173.10 172.33 3krt s VAL 419 N -2.23 0.15 0.16 1.40 1.01 -0.36 -1.20 120.40 119.33 3krt s VAL 419 Ca 0.40 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 3krt s VAL 419 Cb -0.09 -0.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.89 3krt s VAL 419 CO 0.34 0.20 0.96 -0.76 0.00 0.00 0.00 175.10 175.84 3krt s LEU 420 N 1.77 4.55 0.00 3.92 1.43 -0.17 -0.17 118.68 130.01 3krt s LEU 420 Ca 0.01 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 3krt s LEU 420 Cb -0.13 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3krt s LEU 420 CO -0.03 0.00 0.00 0.00 0.23 0.00 0.00 176.35 176.55 3krt h LEU 422 N 0.00 0.01 -9.24 0.00 3.38 -1.07 -3.45 115.31 104.95 3krt h LEU 422 Ca 0.00 -0.02 -0.67 0.00 0.09 0.00 0.00 57.88 57.28 3krt h LEU 422 Cb 0.00 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 3krt h LEU 422 CO 0.00 1.02 0.91 0.00 0.09 0.00 0.00 178.44 180.45 3krt n ALA 423 N -2.44 0.24 0.44 1.53 0.00 -0.92 -4.87 120.51 114.49 3krt n ALA 423 Ca -0.07 0.37 0.13 0.00 0.00 0.00 0.00 53.44 53.87 3krt n ALA 423 Cb 0.99 -2.32 0.40 0.00 0.00 0.00 0.00 19.45 18.52 3krt n ALA 423 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3krt h PRO 424 N 7.48 0.00 -3.65 0.00 0.13 -1.91 -3.47 132.00 130.58 3krt h PRO 424 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 3krt h PRO 424 Cb 1.30 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.32 3krt h PRO 424 CO 0.93 0.00 -0.16 -2.00 -0.23 0.00 0.00 178.00 176.54 3krt s GLU 425 N -3.24 1.32 0.62 0.86 2.56 -1.26 -5.17 118.70 114.39 3krt s GLU 425 Ca 0.07 -1.09 -0.16 0.00 0.00 0.00 0.00 54.97 53.79 3krt s GLU 425 Cb 0.09 0.44 -0.02 0.00 2.00 0.00 0.00 34.13 36.65 3krt s GLU 425 CO 0.57 -0.53 1.11 -1.21 -0.56 0.00 0.00 175.26 174.64 3krt s GLU 426 N -3.95 3.02 0.00 4.30 2.02 -1.26 -4.32 118.70 118.51 3krt s GLU 426 Ca 0.16 1.42 0.00 0.00 0.02 0.00 0.00 54.97 56.57 3krt s GLU 426 Cb 0.01 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.26 3krt s GLU 426 CO 0.01 -1.08 0.00 0.41 0.02 0.00 0.00 175.26 174.62 3krt n GLY 427 N -0.41 0.46 3.96 -1.39 0.00 -1.26 -5.04 105.19 101.51 3krt n GLY 427 Ca 0.10 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 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 4.09 0.00 0.99 1.43 -1.26 -4.65 118.68 119.29 3krt s LEU 428 Ca 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3krt s LEU 428 Cb 0.00 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.22 3krt s LEU 428 CO 0.00 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.92 3krt n GLY 429 N -1.63 0.67 3.69 -3.19 0.00 -1.26 -1.89 105.19 101.58 3krt n GLY 429 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3krt n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krt s VAL 430 N -2.50 4.87 -0.18 1.61 0.11 -1.24 -4.75 120.40 118.32 3krt s VAL 430 Ca 0.00 1.83 0.15 0.00 -2.93 0.00 0.00 61.98 61.02 3krt s VAL 430 Cb 0.00 -4.22 -0.21 0.00 -1.53 0.00 0.00 36.38 30.42 3krt s VAL 430 CO 0.00 0.07 0.04 0.54 -3.33 0.00 0.00 175.10 172.43 3krt n ARG 431 N 4.72 1.11 -3.50 1.54 1.74 0.16 -4.72 116.66 117.71 3krt n ARG 431 Ca 0.05 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 3krt n ARG 431 Cb 0.49 -1.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.44 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 -5.21 6.23 0.50 0.55 -1.08 -1.07 -4.88 116.67 111.71 3krt s ASP 432 Ca -0.10 -3.04 0.32 0.00 -0.52 0.00 0.00 52.55 49.21 3krt s ASP 432 Cb 0.05 -2.05 1.28 0.00 -1.46 0.00 0.00 42.92 40.75 3krt s ASP 432 CO 0.70 -0.41 1.93 -0.09 0.52 0.00 0.00 175.17 177.83 3krt h ARG 433 N 7.10 0.00 0.07 4.34 9.65 -1.88 -2.25 114.38 131.42 3krt h ARG 433 Ca 0.09 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.70 3krt h ARG 433 Cb 0.95 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.56 3krt h ARG 433 CO 0.79 0.00 -1.08 0.93 2.80 0.00 0.00 179.97 183.41 3krt h GLU 434 N 0.00 0.60 -0.49 0.20 3.07 -1.99 -1.75 114.58 114.22 3krt h GLU 434 Ca 0.00 -0.74 -0.13 0.00 -0.50 0.00 0.00 59.36 57.99 3krt h GLU 434 Cb 0.50 0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3krt h GLU 434 CO 0.00 1.32 -0.19 -0.22 -1.40 0.00 0.00 179.01 178.52 3krt h LYS 435 N 0.21 0.98 0.06 2.33 3.64 -1.95 -2.94 116.57 118.92 3krt h LYS 435 Ca -0.16 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 58.84 3krt h LYS 435 Cb 1.76 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.51 3krt h LYS 435 CO 0.21 1.08 -0.22 -0.09 -2.27 0.00 0.00 179.45 178.16 3krt h ARG 436 N 0.86 -0.36 -0.99 1.90 2.43 -1.42 -1.96 114.38 114.84 3krt h ARG 436 Ca 0.12 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.50 3krt h ARG 436 Cb 0.76 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.30 3krt h ARG 436 CO 0.06 -0.24 0.61 0.00 -1.51 0.00 0.00 179.97 178.89 3krt h ALA 437 N 0.45 1.79 -0.51 2.80 0.00 -1.31 0.14 119.26 122.61 3krt h ALA 437 Ca 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3krt h ALA 437 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3krt h ALA 437 CO -0.15 -0.14 0.19 0.37 0.00 0.00 0.00 179.25 179.51 3krt h GLN 438 N 0.70 0.74 -0.22 0.00 4.15 -1.18 -3.25 115.11 116.05 3krt h GLN 438 Ca 0.56 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.87 3krt h GLN 438 Cb 0.96 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.52 3krt h GLN 438 CO -0.34 0.62 0.00 0.72 -1.93 0.00 0.00 178.83 177.90 3krt n HIS 439 N -4.33 0.29 -0.15 3.99 8.25 0.16 -4.78 115.22 118.65 3krt n HIS 439 Ca 0.04 -0.36 -0.07 0.00 -0.26 0.00 0.00 57.72 57.07 3krt n HIS 439 Cb 0.17 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.28 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 1.76 0.44 -1.41 2.41 5.85 -0.88 -0.37 115.31 123.11 3krt h LEU 440 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3krt h LEU 440 Cb 0.61 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3krt h LEU 440 CO 0.00 0.32 -0.21 0.44 -0.34 0.00 0.00 178.44 178.65 3krt h ASP 441 N 0.55 0.12 -0.07 1.25 3.32 -1.86 -1.48 116.42 118.25 3krt h ASP 441 Ca 0.18 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 3krt h ASP 441 Cb 0.00 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.53 3krt h ASP 441 CO -0.08 0.34 -0.39 0.00 -1.72 0.00 0.00 179.24 177.40 3krt h ALA 442 N 1.67 0.14 -0.90 3.45 0.00 -1.69 -2.98 119.26 118.95 3krt h ALA 442 Ca 0.02 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.53 3krt h ALA 442 Cb 0.44 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3krt h ALA 442 CO 0.03 0.25 0.59 0.82 0.00 0.00 0.00 179.25 180.93 3krt h ILE 443 N -0.10 1.05 -0.62 0.00 2.04 -0.78 -2.41 117.51 116.70 3krt h ILE 443 Ca -0.03 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3krt h ILE 443 Cb 1.05 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3krt h ILE 443 CO 0.08 0.18 0.00 0.59 0.00 0.00 0.00 178.15 179.00 3krt n ASN 444 N -4.49 3.46 -0.18 1.72 5.03 -0.58 -4.54 115.26 115.67 3krt n ASN 444 Ca 0.14 -2.05 0.24 0.00 0.87 0.00 0.00 54.58 53.78 3krt n ASN 444 Cb 0.21 -0.43 0.63 0.00 -1.02 0.00 0.00 39.78 39.17 3krt n ASN 444 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 3krt h ARG 445 N 3.65 0.16 -0.01 3.52 3.08 -1.27 -0.86 114.38 122.65 3krt h ARG 445 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3krt h ARG 445 Cb 0.90 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3krt h ARG 445 CO 0.03 0.10 -0.16 1.19 -1.07 0.00 0.00 179.97 180.06 3krt n PHE 446 N -4.38 0.00 1.95 3.04 3.01 -1.26 -5.00 117.46 114.82 3krt n PHE 446 Ca 0.18 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.79 3krt n PHE 446 Cb 0.80 -0.07 0.91 0.00 -0.01 0.00 0.00 39.48 41.12 3krt n PHE 446 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31