#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mur n SER 4 N 0.00 0.00 -4.57 8.00 7.64 -1.26 -4.66 113.62 118.78 1mur n SER 4 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1mur n SER 4 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1mur n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mur n ALA 5 N -1.26 1.37 0.01 -0.43 0.00 -1.26 -4.15 120.51 114.79 1mur n ALA 5 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1mur n ALA 5 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 16.48 1mur n ALA 5 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1mur n LEU 6 N 12.88 -0.19 -0.34 0.00 7.94 -1.26 -4.61 117.00 131.41 1mur n LEU 6 Ca 0.34 0.05 0.11 0.00 -1.11 0.00 0.00 56.01 55.41 1mur n LEU 6 Cb 0.45 0.47 0.31 0.00 0.53 0.00 0.00 43.42 45.17 1mur n LEU 6 CO 0.69 -0.26 1.21 0.45 -1.11 0.00 0.00 177.39 178.37 1mur h HIS 7 N 0.00 1.05 -2.94 1.96 3.86 -1.89 -3.36 115.15 113.84 1mur h HIS 7 Ca 0.00 0.03 -0.71 0.00 -1.16 0.00 0.00 60.37 58.53 1mur h HIS 7 Cb 0.00 -0.33 -0.20 0.00 1.06 0.00 0.00 27.41 27.94 1mur h HIS 7 CO 0.00 0.32 0.10 1.03 0.86 0.00 0.00 177.93 180.24 1mur s ARG 8 N -5.86 3.07 0.18 2.45 0.52 -1.26 -4.98 118.95 113.08 1mur s ARG 8 Ca -0.11 -1.42 -0.20 0.00 -0.52 0.00 0.00 55.73 53.48 1mur s ARG 8 Cb 0.24 -4.30 0.12 0.00 0.52 0.00 0.00 34.95 31.53 1mur s ARG 8 CO 0.80 -1.52 1.37 0.00 0.02 0.00 0.00 175.30 175.97 1mur n ALA 9 N 6.14 -0.27 -0.16 2.13 0.00 -1.26 -0.11 120.51 126.98 1mur n ALA 9 Ca -0.08 0.84 -0.04 0.00 0.00 0.00 0.00 53.44 54.16 1mur n ALA 9 Cb 0.42 -0.30 0.06 0.00 0.00 0.00 0.00 19.45 19.63 1mur n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mur h ALA 10 N 0.95 0.63 -0.10 0.00 0.00 -1.93 0.45 119.26 119.26 1mur h ALA 10 Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1mur h ALA 10 Cb 0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1mur h ALA 10 CO -0.86 -0.15 0.03 -0.44 0.00 0.00 0.00 179.25 177.82 1mur h ASP 11 N 0.43 0.15 -0.94 0.00 3.32 -1.27 -2.14 116.42 115.97 1mur h ASP 11 Ca 0.23 -0.21 0.15 0.00 0.02 0.00 0.00 57.03 57.22 1mur h ASP 11 Cb 0.19 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.61 1mur h ASP 11 CO -0.20 0.32 0.55 -0.25 -1.72 0.00 0.00 179.24 177.94 1mur h TRP 12 N -0.03 0.98 -0.14 4.55 7.01 0.27 -1.59 115.95 127.00 1mur h TRP 12 Ca 0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1mur h TRP 12 Cb 0.23 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 1mur h TRP 12 CO -0.00 0.30 0.06 0.00 -2.79 0.00 0.00 178.44 176.00 1mur h ALA 13 N 1.57 0.18 -0.15 2.65 0.00 0.31 -2.11 119.26 121.71 1mur h ALA 13 Ca 0.50 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.36 1mur h ALA 13 Cb 0.64 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1mur h ALA 13 CO -0.33 -0.22 -0.25 -0.22 0.00 0.00 0.00 179.25 178.23 1mur h LYS 14 N 0.07 -0.30 -0.76 0.00 3.64 -0.80 0.19 116.57 118.61 1mur h LYS 14 Ca 0.05 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.62 1mur h LYS 14 Cb 0.18 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 31.94 1mur h LYS 14 CO -0.00 -0.20 0.08 0.66 -2.27 0.00 0.00 179.45 177.72 1mur h SER 15 N -0.31 -0.21 0.08 4.20 4.64 -0.96 -0.34 113.55 120.64 1mur h SER 15 Ca 0.11 0.18 -0.17 0.00 -0.47 0.00 0.00 61.79 61.43 1mur h SER 15 Cb 0.47 0.29 0.02 0.00 -0.31 0.00 0.00 62.40 62.87 1mur h SER 15 CO -0.33 -0.14 -0.73 0.58 -0.87 0.00 0.00 176.83 175.35 1mur h VAL 16 N 0.16 1.47 -0.00 0.95 2.07 -0.65 -3.41 116.25 116.84 1mur h VAL 16 Ca 0.43 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1mur h VAL 16 Cb 0.77 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 1mur h VAL 16 CO -0.62 0.67 -0.69 0.49 0.02 0.00 0.00 177.57 177.43 1mur n PHE 17 N -4.16 0.00 -0.12 1.57 3.01 0.59 -3.95 117.46 114.39 1mur n PHE 17 Ca -0.12 0.00 0.27 0.00 1.01 0.00 0.00 57.45 58.61 1mur n PHE 17 Cb 0.76 0.00 0.64 0.00 -0.01 0.00 0.00 39.48 40.87 1mur n PHE 17 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1mur h SER 18 N 0.03 0.00 -0.48 4.37 0.02 -1.23 -0.28 113.55 115.98 1mur h SER 18 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1mur h SER 18 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1mur h SER 18 CO 0.00 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.15 1mur n SER 19 N -3.62 4.17 -4.76 3.07 3.41 -1.26 -4.99 113.62 109.64 1mur n SER 19 Ca 0.18 -2.50 -0.41 0.00 -0.26 0.00 0.00 58.87 55.88 1mur n SER 19 Cb 1.11 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 64.55 1mur n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mur s ALA 20 N -1.92 3.63 -1.13 7.33 0.00 -0.12 -4.92 121.76 124.64 1mur s ALA 20 Ca 0.43 1.44 -0.10 0.00 0.00 0.00 0.00 51.96 53.73 1mur s ALA 20 Cb 0.29 -3.58 0.26 0.00 0.00 0.00 0.00 23.12 20.09 1mur s ALA 20 CO 0.19 -0.86 1.19 0.00 0.00 0.00 0.00 175.76 176.28 1mur n ALA 21 N 1.73 4.23 1.24 0.00 0.00 -1.26 -4.79 120.51 121.64 1mur n ALA 21 Ca 0.05 -4.61 0.13 0.00 0.00 0.00 0.00 53.44 49.02 1mur n ALA 21 Cb 0.39 -2.55 0.43 0.00 0.00 0.00 0.00 19.45 17.72 1mur n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mur n LEU 22 N 3.09 0.73 0.00 0.00 4.77 -1.26 -4.93 117.00 119.40 1mur n LEU 22 Ca 0.26 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1mur n LEU 22 Cb 0.39 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1mur n LEU 22 CO 0.50 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1mur n GLY 23 N 1.36 0.73 3.47 -0.72 0.00 -1.26 -4.72 105.19 104.06 1mur n GLY 23 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1mur n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mur s ASP 24 N -2.72 -0.51 0.38 1.61 -1.08 -1.26 -5.02 116.67 108.07 1mur s ASP 24 Ca 0.00 0.74 0.15 0.00 -0.52 0.00 0.00 52.55 52.92 1mur s ASP 24 Cb 0.00 1.47 1.00 0.00 -1.46 0.00 0.00 42.92 43.93 1mur s ASP 24 CO 0.00 -0.11 1.81 -0.65 0.52 0.00 0.00 175.17 176.74 1mur h PRO 25 N 6.95 0.48 -0.04 4.34 0.10 -1.95 0.13 132.00 142.01 1mur h PRO 25 Ca -0.20 -0.03 0.01 0.00 0.10 0.00 0.00 66.00 65.88 1mur h PRO 25 Cb 1.14 -0.11 -0.01 0.00 0.10 0.00 0.00 31.00 32.12 1mur h PRO 25 CO 0.12 0.32 -0.01 0.00 0.10 0.00 0.00 178.00 178.52 1mur h ARG 26 N 0.49 -0.01 -0.37 1.05 3.08 -1.99 0.23 114.38 116.87 1mur h ARG 26 Ca 0.54 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.63 1mur h ARG 26 Cb 1.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 1mur h ARG 26 CO -0.27 -0.00 0.15 0.00 -1.07 0.00 0.00 179.97 178.78 1mur h ARG 27 N -0.01 0.31 -0.86 0.04 3.08 -1.18 -0.16 114.38 115.61 1mur h ARG 27 Ca 0.02 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1mur h ARG 27 Cb 0.04 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 1mur h ARG 27 CO -0.05 0.20 0.52 1.15 -1.07 0.00 0.00 179.97 180.72 1mur h THR 28 N 0.32 0.99 -0.38 2.04 2.02 -0.65 0.14 112.91 117.38 1mur h THR 28 Ca 0.16 -0.31 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 1mur h THR 28 Cb 0.11 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1mur h THR 28 CO -0.14 0.17 -0.33 0.00 0.37 0.00 0.00 175.52 175.58 1mur h ALA 29 N 1.43 0.70 -0.57 6.16 0.00 -0.16 -1.64 119.26 125.18 1mur h ALA 29 Ca 0.39 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1mur h ALA 29 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1mur h ALA 29 CO -0.21 0.66 0.13 -0.09 0.00 0.00 0.00 179.25 179.74 1mur h ARG 30 N 0.71 0.93 -0.86 0.00 9.65 -0.37 -1.30 114.38 123.14 1mur h ARG 30 Ca 0.07 -0.23 0.14 0.00 -1.10 0.00 0.00 59.98 58.86 1mur h ARG 30 Cb 0.89 -0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 29.26 1mur h ARG 30 CO 0.08 0.87 0.46 1.25 2.80 0.00 0.00 179.97 185.43 1mur h LEU 31 N 0.83 0.58 0.18 3.80 5.85 -0.34 0.33 115.31 126.54 1mur h LEU 31 Ca 0.18 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1mur h LEU 31 Cb 0.37 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1mur h LEU 31 CO 0.00 0.26 -0.09 0.58 -0.34 0.00 0.00 178.44 178.85 1mur h VAL 32 N 0.67 0.82 -0.17 1.05 2.07 -0.55 -0.42 116.25 119.72 1mur h VAL 32 Ca 0.46 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.00 1mur h VAL 32 Cb 0.62 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1mur h VAL 32 CO -0.34 0.00 0.04 0.78 0.02 0.00 0.00 177.57 178.06 1mur h ASN 33 N -0.25 0.02 -0.36 0.57 2.35 0.10 -0.16 115.58 117.86 1mur h ASN 33 Ca -0.03 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1mur h ASN 33 Cb 0.19 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 1mur h ASN 33 CO 0.04 0.04 0.04 0.58 -1.65 0.00 0.00 177.43 176.48 1mur h VAL 34 N 0.11 0.79 -0.99 2.81 2.07 -0.34 -0.13 116.25 120.57 1mur h VAL 34 Ca 0.08 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1mur h VAL 34 Cb 0.06 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1mur h VAL 34 CO -0.10 0.03 0.66 0.00 0.02 0.00 0.00 177.57 178.18 1mur h ALA 35 N 1.28 1.29 -0.12 1.67 0.00 -0.50 0.75 119.26 123.64 1mur h ALA 35 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1mur h ALA 35 Cb 0.21 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1mur h ALA 35 CO -0.25 0.66 0.07 0.00 0.00 0.00 0.00 179.25 179.73 1mur h ALA 36 N 1.38 0.16 -0.43 0.00 0.00 -0.01 0.35 119.26 120.71 1mur h ALA 36 Ca 0.36 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1mur h ALA 36 Cb -0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1mur h ALA 36 CO -0.08 -0.32 0.13 -0.56 0.00 0.00 0.00 179.25 178.42 1mur h GLN 37 N 0.12 0.67 -0.55 0.00 3.07 -0.72 0.62 115.11 118.32 1mur h GLN 37 Ca 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 58.65 58.63 1mur h GLN 37 Cb 0.05 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.49 1mur h GLN 37 CO -0.01 0.66 0.30 -0.07 0.09 0.00 0.00 178.83 179.81 1mur h LEU 38 N 0.55 0.69 -0.65 0.06 3.38 -0.63 -1.51 115.31 117.20 1mur h LEU 38 Ca 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1mur h LEU 38 Cb 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1mur h LEU 38 CO -0.00 0.58 0.34 0.00 0.09 0.00 0.00 178.44 179.44 1mur h ALA 39 N 1.14 0.84 -0.85 1.53 0.00 0.05 0.89 119.26 122.85 1mur h ALA 39 Ca 0.19 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1mur h ALA 39 Cb 0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 1mur h ALA 39 CO -0.03 0.37 0.52 -0.22 0.00 0.00 0.00 179.25 179.89 1mur h LYS 40 N 0.89 0.89 -1.58 0.00 3.64 -0.50 -1.84 116.57 118.08 1mur h LYS 40 Ca 0.23 -0.05 -0.68 0.00 -1.27 0.00 0.00 60.65 58.87 1mur h LYS 40 Cb 0.08 -0.20 -0.33 0.00 -0.41 0.00 0.00 32.23 31.36 1mur h LYS 40 CO -0.03 0.59 0.36 0.66 -2.27 0.00 0.00 179.45 178.76 1mur n TYR 41 N -4.66 3.12 -1.57 1.91 4.02 -0.60 -5.02 117.16 114.37 1mur n TYR 41 Ca 0.13 -2.65 -0.57 0.00 -0.01 0.00 0.00 57.90 54.80 1mur n TYR 41 Cb 0.21 -0.85 -0.07 0.00 -0.02 0.00 0.00 39.34 38.61 1mur n TYR 41 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1mur n SER 42 N -0.61 0.95 0.00 7.72 7.64 0.22 -0.60 113.62 128.94 1mur n SER 42 Ca 0.50 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.52 1mur n SER 42 Cb 0.49 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1mur n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mur n GLY 43 N 2.29 3.13 4.02 0.23 0.00 -1.24 -4.99 105.19 108.63 1mur n GLY 43 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1mur n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mur s LYS 44 N -0.38 2.23 0.66 1.61 -0.14 0.23 -4.66 119.74 119.29 1mur s LYS 44 Ca 0.00 -1.51 -0.15 0.00 -1.36 0.00 0.00 55.97 52.96 1mur s LYS 44 Cb 0.00 -2.60 -0.00 0.00 -1.68 0.00 0.00 37.83 33.55 1mur s LYS 44 CO 0.00 -0.92 1.10 -1.54 -0.76 0.00 0.00 175.35 173.23 1mur s SER 45 N -4.65 5.16 0.09 2.83 1.04 -1.26 -4.85 113.70 112.05 1mur s SER 45 Ca 0.62 1.96 -0.31 0.00 0.48 0.00 0.00 55.95 58.69 1mur s SER 45 Cb -0.06 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 63.37 1mur s SER 45 CO 0.39 -1.59 1.50 0.40 0.98 0.00 0.00 173.24 174.92 1mur h ILE 46 N -0.01 0.00 -0.76 -1.02 2.04 -1.97 0.19 117.51 115.97 1mur h ILE 46 Ca -0.46 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.56 1mur h ILE 46 Cb 1.24 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.18 1mur h ILE 46 CO 0.54 0.00 -0.13 0.74 0.00 0.00 0.00 178.15 179.30 1mur h THR 47 N -0.77 0.26 -0.57 -0.27 2.02 -1.95 0.45 112.91 112.08 1mur h THR 47 Ca -0.03 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1mur h THR 47 Cb 0.72 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1mur h THR 47 CO -0.18 0.00 0.29 0.40 0.37 0.00 0.00 175.52 176.40 1mur h ILE 48 N 0.02 1.20 0.00 3.11 2.04 -1.66 -1.27 117.51 120.96 1mur h ILE 48 Ca 0.38 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1mur h ILE 48 Cb 0.62 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1mur h ILE 48 CO -0.76 0.22 0.00 0.77 0.00 0.00 0.00 178.15 178.39 1mur h SER 49 N 0.77 0.00 0.51 1.72 4.64 0.28 -0.92 113.55 120.56 1mur h SER 49 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1mur h SER 49 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1mur h SER 49 CO -0.03 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.73 1mur n SER 50 N -2.65 0.00 -4.07 4.97 7.64 -0.11 -4.83 113.62 114.57 1mur n SER 50 Ca -0.02 0.25 -0.30 0.00 1.01 0.00 0.00 58.87 59.82 1mur n SER 50 Cb 0.09 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 1mur n SER 50 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1mur n GLU 51 N -1.39 -3.13 -0.45 1.43 1.02 -0.35 -0.70 120.64 117.08 1mur n GLU 51 Ca 0.07 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1mur n GLU 51 Cb 0.19 -4.68 0.00 0.00 -0.02 0.00 0.00 31.44 26.93 1mur n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mur n GLY 52 N -1.82 1.66 3.53 0.62 0.00 -1.26 -4.99 105.19 102.92 1mur n GLY 52 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1mur n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mur s SER 53 N -3.31 6.35 0.14 1.61 0.15 0.12 -4.91 113.70 113.84 1mur s SER 53 Ca 0.00 -0.23 -0.18 0.00 0.70 0.00 0.00 55.95 56.23 1mur s SER 53 Cb 0.00 -2.32 0.02 0.00 -1.71 0.00 0.00 66.02 62.00 1mur s SER 53 CO 0.00 -0.75 1.71 0.50 1.20 0.00 0.00 173.24 175.90 1mur h LYS 54 N 8.80 0.07 -0.92 5.44 3.11 -1.94 0.27 116.57 131.40 1mur h LYS 54 Ca -0.26 -0.00 0.17 0.00 -2.81 0.00 0.00 60.65 57.75 1mur h LYS 54 Cb 1.10 -0.02 -0.10 0.00 -1.00 0.00 0.00 32.23 32.21 1mur h LYS 54 CO 0.88 0.05 0.51 0.00 -2.81 0.00 0.00 179.45 178.08 1mur h ALA 55 N 1.23 1.45 -0.10 5.00 0.00 -1.96 1.38 119.26 126.27 1mur h ALA 55 Ca 0.13 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 1mur h ALA 55 Cb 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1mur h ALA 55 CO -0.22 -0.09 -0.80 0.00 0.00 0.00 0.00 179.25 178.14 1mur h ALA 56 N 1.61 0.40 0.34 0.00 0.00 -1.66 -1.38 119.26 118.57 1mur h ALA 56 Ca 0.52 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1mur h ALA 56 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1mur h ALA 56 CO -0.38 0.72 -0.16 0.37 0.00 0.00 0.00 179.25 179.80 1mur h GLN 57 N 0.41 -0.44 -0.92 0.00 4.15 0.14 0.55 115.11 119.00 1mur h GLN 57 Ca -0.05 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.46 1mur h GLN 57 Cb 1.41 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 29.14 1mur h GLN 57 CO 0.15 -0.24 0.60 1.49 -1.93 0.00 0.00 178.83 178.90 1mur h GLU 58 N -0.53 1.02 0.42 1.69 4.57 0.16 -2.13 114.58 119.79 1mur h GLU 58 Ca -0.05 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 1mur h GLU 58 Cb 0.40 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1mur h GLU 58 CO 0.08 0.68 -0.21 0.78 -1.18 0.00 0.00 179.01 179.15 1mur h GLY 59 N 1.05 -0.60 0.55 1.92 0.00 -0.68 -1.51 103.07 103.80 1mur h GLY 59 Ca 0.40 0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.98 1mur h GLY 59 CO -0.15 -0.22 -0.20 0.00 0.00 0.00 0.00 176.54 175.97 1mur h ALA 60 N 0.00 -0.26 -0.41 3.60 0.00 -0.68 -0.38 119.26 121.13 1mur h ALA 60 Ca -0.06 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1mur h ALA 60 Cb 0.45 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1mur h ALA 60 CO 0.09 -0.70 0.20 1.88 0.00 0.00 0.00 179.25 180.72 1mur h TYR 61 N -0.33 0.36 -0.59 0.00 -1.99 -1.38 -0.66 116.97 112.39 1mur h TYR 61 Ca 0.05 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1mur h TYR 61 Cb 0.40 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 38.99 1mur h TYR 61 CO -0.24 0.19 0.35 0.00 -0.00 0.00 0.00 178.16 178.46 1mur h ARG 62 N 0.40 0.79 0.27 4.88 3.08 -1.02 -2.04 114.38 120.75 1mur h ARG 62 Ca 0.18 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1mur h ARG 62 Cb 0.09 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1mur h ARG 62 CO -0.13 0.56 -0.13 0.35 -1.07 0.00 0.00 179.97 179.55 1mur h PHE 63 N 0.81 -0.34 0.00 3.04 3.57 0.13 -1.13 116.94 123.02 1mur h PHE 63 Ca 0.21 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1mur h PHE 63 Cb -0.02 0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1mur h PHE 63 CO 0.00 -0.11 0.00 0.44 -2.23 0.00 0.00 178.31 176.42 1mur n ILE 64 N -5.18 1.12 -1.09 1.41 -5.35 -0.37 -0.63 119.36 109.27 1mur n ILE 64 Ca -0.10 0.41 0.07 0.00 -0.27 0.00 0.00 62.75 62.87 1mur n ILE 64 Cb 0.21 -1.33 0.22 0.00 -1.74 0.00 0.00 39.64 37.00 1mur n ILE 64 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1mur n ARG 65 N -1.96 2.33 -2.74 6.28 1.85 -0.81 -4.14 116.66 117.46 1mur n ARG 65 Ca 0.01 -2.83 -0.43 0.00 -1.00 0.00 0.00 57.85 53.60 1mur n ARG 65 Cb 0.13 -1.75 -0.03 0.00 -1.05 0.00 0.00 32.46 29.76 1mur n ARG 65 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1mur s ASN 66 N -2.29 6.80 0.29 2.89 3.84 0.20 -4.92 114.94 121.74 1mur s ASN 66 Ca 0.40 0.82 0.23 0.00 0.21 0.00 0.00 52.86 54.51 1mur s ASN 66 Cb 0.34 -2.49 1.07 0.00 -0.55 0.00 0.00 41.25 39.61 1mur s ASN 66 CO 0.06 -0.84 1.69 -0.81 -2.79 0.00 0.00 177.10 174.41 1mur n PRO 67 N 6.75 0.17 -0.20 0.43 -0.04 -1.26 -1.87 135.00 138.99 1mur n PRO 67 Ca 0.09 0.52 0.11 0.00 -0.04 0.00 0.00 63.50 64.18 1mur n PRO 67 Cb 0.48 -1.92 0.27 0.00 -0.04 0.00 0.00 33.50 32.29 1mur n PRO 67 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1mur n ASN 68 N -2.26 2.92 -4.40 3.54 5.03 -1.26 -4.82 115.26 114.02 1mur n ASN 68 Ca 0.00 -1.93 -0.34 0.00 0.87 0.00 0.00 54.58 53.19 1mur n ASN 68 Cb 0.14 -0.26 -0.13 0.00 -1.02 0.00 0.00 39.78 38.51 1mur n ASN 68 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1mur s VAL 69 N -1.49 3.43 -0.26 2.41 1.01 -0.78 -4.79 120.40 119.94 1mur s VAL 69 Ca 0.37 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1mur s VAL 69 Cb 0.21 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1mur s VAL 69 CO 0.29 0.48 0.19 -0.55 0.00 0.00 0.00 175.10 175.51 1mur s SER 70 N 0.69 6.08 0.41 3.32 0.15 -1.26 -4.95 113.70 118.13 1mur s SER 70 Ca -0.04 0.06 0.14 0.00 0.70 0.00 0.00 55.95 56.81 1mur s SER 70 Cb -0.15 -2.12 0.98 0.00 -1.71 0.00 0.00 66.02 63.02 1mur s SER 70 CO 0.02 -0.01 1.91 0.00 1.20 0.00 0.00 173.24 176.36 1mur h ALA 71 N 7.99 2.02 -0.47 5.45 0.00 -1.94 -0.62 119.26 131.69 1mur h ALA 71 Ca -0.36 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1mur h ALA 71 Cb 1.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1mur h ALA 71 CO 0.60 -0.23 0.26 1.49 0.00 0.00 0.00 179.25 181.37 1mur h GLU 72 N 0.50 0.66 0.00 0.00 4.81 -1.98 -0.15 114.58 118.42 1mur h GLU 72 Ca 0.39 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1mur h GLU 72 Cb 0.79 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1mur h GLU 72 CO -0.14 0.52 -0.18 0.00 -0.73 0.00 0.00 179.01 178.48 1mur h ALA 73 N 1.11 1.14 -0.22 2.92 0.00 -1.51 0.72 119.26 123.42 1mur h ALA 73 Ca 0.17 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1mur h ALA 73 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1mur h ALA 73 CO -0.03 0.23 -0.65 0.82 0.00 0.00 0.00 179.25 179.62 1mur h ILE 74 N 0.00 1.28 -0.07 0.00 2.04 -0.51 -0.23 117.51 120.02 1mur h ILE 74 Ca -0.00 -1.85 -0.22 0.00 1.00 0.00 0.00 64.86 63.78 1mur h ILE 74 Cb 0.56 1.80 0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1mur h ILE 74 CO 0.02 0.59 -0.85 0.03 0.00 0.00 0.00 178.15 177.95 1mur h ARG 75 N 0.58 0.58 -0.62 2.37 3.08 -0.03 -2.96 114.38 117.38 1mur h ARG 75 Ca -0.02 -0.53 -0.00 0.00 0.07 0.00 0.00 59.98 59.50 1mur h ARG 75 Cb 1.26 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.41 1mur h ARG 75 CO 0.14 1.15 0.37 -0.22 -1.07 0.00 0.00 179.97 180.34 1mur h LYS 76 N 0.37 0.84 -0.97 0.04 3.64 0.48 -1.88 116.57 119.09 1mur h LYS 76 Ca -0.07 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1mur h LYS 76 Cb 1.47 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 33.04 1mur h LYS 76 CO 0.16 0.60 0.63 0.00 -2.27 0.00 0.00 179.45 178.57 1mur h ALA 77 N 1.19 1.34 0.00 5.00 0.00 -1.00 -1.82 119.26 123.97 1mur h ALA 77 Ca 0.22 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1mur h ALA 77 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1mur h ALA 77 CO -0.04 0.43 -0.27 0.78 0.00 0.00 0.00 179.25 180.15 1mur h GLY 78 N 1.15 0.00 1.09 0.00 0.00 -1.31 -3.25 103.07 100.74 1mur h GLY 78 Ca 0.41 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.57 1mur h GLY 78 CO -0.16 0.00 -0.54 0.00 0.00 0.00 0.00 176.54 175.83 1mur h ALA 79 N 1.73 0.39 -0.01 3.60 0.00 -0.52 -2.81 119.26 121.64 1mur h ALA 79 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1mur h ALA 79 Cb 1.08 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1mur h ALA 79 CO 0.03 0.60 0.01 0.52 0.00 0.00 0.00 179.25 180.41 1mur h MET 80 N 0.54 0.00 -0.02 0.00 2.86 -1.48 0.44 114.93 117.27 1mur h MET 80 Ca -0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1mur h MET 80 Cb 1.16 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.83 1mur h MET 80 CO 0.12 0.00 -0.87 0.37 1.06 0.00 0.00 176.91 177.59 1mur h GLN 81 N 0.00 0.63 -0.15 1.72 5.75 -1.59 0.36 115.11 121.82 1mur h GLN 81 Ca 0.00 -0.64 0.05 0.00 -0.15 0.00 0.00 58.65 57.91 1mur h GLN 81 Cb 0.02 0.18 -0.06 0.00 1.07 0.00 0.00 27.48 28.68 1mur h GLN 81 CO -0.00 1.25 -0.25 1.15 -2.65 0.00 0.00 178.83 178.32 1mur h THR 82 N 0.26 0.39 -0.63 2.39 2.02 -0.30 0.85 112.91 117.90 1mur h THR 82 Ca -0.10 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.19 1mur h THR 82 Cb 1.53 0.39 -0.12 0.00 -1.74 0.00 0.00 68.15 68.22 1mur h THR 82 CO 0.17 0.00 -0.33 0.58 0.37 0.00 0.00 175.52 176.31 1mur h VAL 83 N -0.31 0.16 -0.45 3.16 2.07 -0.13 0.10 116.25 120.86 1mur h VAL 83 Ca 0.11 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.72 1mur h VAL 83 Cb 0.47 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.31 1mur h VAL 83 CO -0.33 0.00 -0.16 0.50 0.02 0.00 0.00 177.57 177.60 1mur h LYS 84 N -0.14 -0.06 -0.40 1.57 3.64 0.34 -0.39 116.57 121.12 1mur h LYS 84 Ca 0.24 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1mur h LYS 84 Cb 0.55 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1mur h LYS 84 CO -0.71 -0.04 0.11 -0.07 -2.27 0.00 0.00 179.45 176.48 1mur h LEU 85 N -0.06 0.54 -2.01 5.20 3.38 0.13 -2.07 115.31 120.42 1mur h LEU 85 Ca 0.22 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1mur h LEU 85 Cb 0.39 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1mur h LEU 85 CO -0.50 0.53 -0.00 0.00 0.09 0.00 0.00 178.44 178.56 1mur h ALA 86 N 1.55 1.98 0.00 1.53 0.00 0.86 -2.26 119.26 122.91 1mur h ALA 86 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1mur h ALA 86 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1mur h ALA 86 CO -0.01 0.01 0.70 1.96 0.00 0.00 0.00 179.25 181.91 1mur h GLN 87 N 0.00 0.00 -0.00 0.00 4.20 -1.18 -0.57 115.11 117.56 1mur h GLN 87 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1mur h GLN 87 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1mur h GLN 87 CO 0.00 0.00 -0.41 -1.91 -0.67 0.00 0.00 178.83 175.84 1mur n GLU 88 N -2.58 0.16 -4.41 1.46 2.13 -0.85 -4.90 120.64 111.64 1mur n GLU 88 Ca -0.01 -0.09 -0.31 0.00 0.66 0.00 0.00 57.16 57.42 1mur n GLU 88 Cb 0.72 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.82 1mur n GLU 88 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1mur s PHE 89 N -2.90 2.73 -1.54 4.31 0.40 -0.22 -5.02 117.98 115.74 1mur s PHE 89 Ca 0.14 -0.15 0.25 0.00 -0.60 0.00 0.00 56.93 56.57 1mur s PHE 89 Cb 0.18 -1.49 0.50 0.00 0.51 0.00 0.00 43.02 42.72 1mur s PHE 89 CO 0.65 0.36 1.40 -0.35 0.70 0.00 0.00 175.22 177.99 1mur n PRO 90 N 1.18 0.61 -3.67 0.24 -0.04 -1.26 -4.84 135.00 127.22 1mur n PRO 90 Ca -0.15 -0.40 -0.09 0.00 -0.04 0.00 0.00 63.50 62.83 1mur n PRO 90 Cb 0.52 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1mur n PRO 90 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1mur s GLU 91 N -2.67 0.47 0.15 0.54 2.12 -1.26 -4.79 118.70 113.26 1mur s GLU 91 Ca 0.19 0.98 0.04 0.00 0.36 0.00 0.00 54.97 56.54 1mur s GLU 91 Cb 0.18 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.66 1mur s GLU 91 CO 0.60 -0.18 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.55 1mur s LEU 92 N 1.76 2.50 -0.08 2.70 1.43 0.12 0.21 118.68 127.32 1mur s LEU 92 Ca -0.08 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.02 1mur s LEU 92 Cb -0.08 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 1mur s LEU 92 CO -0.15 -0.36 -0.18 -0.76 0.23 0.00 0.00 176.35 175.13 1mur s LEU 93 N -3.17 2.47 -0.41 1.79 1.43 -0.57 -0.52 118.68 119.70 1mur s LEU 93 Ca 0.17 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1mur s LEU 93 Cb 0.03 -1.50 0.11 0.00 0.03 0.00 0.00 46.19 44.85 1mur s LEU 93 CO 0.01 0.24 0.21 0.00 0.23 0.00 0.00 176.35 177.05 1mur s ALA 94 N -0.13 3.17 -0.01 4.21 0.00 0.22 -1.67 121.76 127.55 1mur s ALA 94 Ca -0.03 -2.46 -0.30 0.00 0.00 0.00 0.00 51.96 49.18 1mur s ALA 94 Cb -0.14 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1mur s ALA 94 CO 0.04 -1.77 1.03 0.42 0.00 0.00 0.00 175.76 175.48 1mur s ILE 95 N 1.20 4.68 -0.10 0.00 -1.09 0.19 -0.48 121.20 125.60 1mur s ILE 95 Ca 0.07 1.93 0.02 0.00 -2.23 0.00 0.00 60.65 60.44 1mur s ILE 95 Cb -0.23 -4.24 0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1mur s ILE 95 CO -0.03 0.11 -0.17 -0.70 -1.23 0.00 0.00 174.94 172.92 1mur s GLU 96 N 1.28 2.35 0.27 2.79 2.12 -0.76 -0.55 118.70 126.20 1mur s GLU 96 Ca 0.53 -0.62 -0.21 0.00 0.36 0.00 0.00 54.97 55.03 1mur s GLU 96 Cb -0.22 -1.91 0.05 0.00 0.26 0.00 0.00 34.13 32.30 1mur s GLU 96 CO 0.26 0.02 0.83 0.34 -0.54 0.00 0.00 175.26 176.17 1mur s ASP 97 N 0.74 -0.13 0.09 -1.70 2.15 -0.68 -4.57 116.67 112.57 1mur s ASP 97 Ca -0.12 -0.73 0.09 0.00 0.43 0.00 0.00 52.55 52.22 1mur s ASP 97 Cb -0.16 0.68 -0.03 0.00 -0.30 0.00 0.00 42.92 43.11 1mur s ASP 97 CO 0.02 -1.31 -0.22 -0.89 -0.17 0.00 0.00 175.17 172.60 1mur s THR 98 N -3.10 1.84 0.26 1.71 2.01 -1.26 -0.73 115.64 116.35 1mur s THR 98 Ca 0.14 -1.47 -0.00 0.00 0.31 0.00 0.00 61.69 60.67 1mur s THR 98 Cb -0.04 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1mur s THR 98 CO 0.07 0.08 0.25 0.28 -0.69 0.00 0.00 174.62 174.61 1mur s THR 99 N -1.01 0.00 0.20 -0.82 -1.32 -0.77 -4.98 115.64 106.95 1mur s THR 99 Ca 0.09 -1.89 0.09 0.00 -1.21 0.00 0.00 61.69 58.77 1mur s THR 99 Cb -0.10 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.37 1mur s THR 99 CO 0.04 0.00 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.32 1mur s SER 100 N -3.21 2.93 -0.35 8.08 1.04 -1.26 0.18 113.70 121.11 1mur s SER 100 Ca 0.37 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.88 1mur s SER 100 Cb 0.04 -0.19 0.10 0.00 0.10 0.00 0.00 66.02 66.06 1mur s SER 100 CO 0.17 -0.03 0.08 -0.76 0.98 0.00 0.00 173.24 173.68 1mur s LEU 101 N -2.96 4.74 -0.11 2.42 1.43 0.49 -4.95 118.68 119.74 1mur s LEU 101 Ca 0.20 -1.98 -0.14 0.00 -1.03 0.00 0.00 54.13 51.18 1mur s LEU 101 Cb -0.05 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 1mur s LEU 101 CO 0.09 -0.41 0.34 -0.55 0.23 0.00 0.00 176.35 176.05 1mur s SER 102 N 1.24 6.57 0.05 2.29 0.15 -1.26 -2.35 113.70 120.38 1mur s SER 102 Ca 0.07 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.41 1mur s SER 102 Cb -0.20 -2.21 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 1mur s SER 102 CO -0.06 0.16 -0.08 -0.31 1.20 0.00 0.00 173.24 174.15 1mur s TYR 103 N -0.00 0.71 0.00 3.44 1.51 0.25 -4.85 117.35 118.41 1mur s TYR 103 Ca 0.20 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1mur s TYR 103 Cb -0.14 -0.42 0.00 0.00 -0.11 0.00 0.00 41.96 41.28 1mur s TYR 103 CO 0.07 -0.09 0.19 0.54 -1.11 0.00 0.00 175.55 175.16 1mur n ARG 104 N 1.26 -0.20 0.00 -0.62 1.74 -1.26 -0.67 116.66 116.90 1mur n ARG 104 Ca -0.21 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 1mur n ARG 104 Cb 0.55 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 1mur n ARG 104 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1mur n HIS 105 N -0.01 -3.40 -0.15 -1.55 1.44 -1.26 -4.86 115.22 105.42 1mur n HIS 105 Ca 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.65 1mur n HIS 105 Cb 0.20 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.34 1mur n HIS 105 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 1mur h GLN 106 N 0.00 0.51 0.00 -1.40 5.75 -1.97 -1.89 115.11 116.11 1mur h GLN 106 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1mur h GLN 106 Cb 0.00 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.43 1mur h GLN 106 CO 0.00 0.34 0.14 -0.24 -2.65 0.00 0.00 178.83 176.42 1mur h VAL 107 N 0.53 0.00 -1.01 2.39 3.04 -1.86 -2.00 116.25 117.33 1mur h VAL 107 Ca 0.20 0.00 0.24 0.00 -1.01 0.00 0.00 66.70 66.12 1mur h VAL 107 Cb 0.06 0.82 -0.12 0.00 -2.01 0.00 0.00 31.29 30.04 1mur h VAL 107 CO -0.11 0.00 0.61 0.00 -1.01 0.00 0.00 177.57 177.06 1mur h ALA 108 N 1.71 1.84 -1.01 3.17 0.00 -1.65 0.79 119.26 124.11 1mur h ALA 108 Ca 0.00 0.10 0.24 0.00 0.00 0.00 0.00 54.91 55.25 1mur h ALA 108 Cb 0.29 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 1mur h ALA 108 CO 0.00 -0.28 0.63 0.93 0.00 0.00 0.00 179.25 180.52 1mur h GLU 109 N 0.59 0.52 -0.00 0.00 5.08 -1.55 1.26 114.58 120.48 1mur h GLU 109 Ca 0.62 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1mur h GLU 109 Cb 1.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1mur h GLU 109 CO -0.42 0.35 -0.05 0.39 -1.00 0.00 0.00 179.01 178.27 1mur n GLU 110 N -4.74 0.65 -1.25 2.33 1.02 0.27 -4.90 120.64 114.02 1mur n GLU 110 Ca 0.25 -0.12 -0.07 0.00 -0.02 0.00 0.00 57.16 57.20 1mur n GLU 110 Cb 0.76 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.72 1mur n GLU 110 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1mur n LEU 111 N -1.07 0.00 -5.00 -4.62 4.77 0.43 -4.99 117.00 106.53 1mur n LEU 111 Ca 0.16 -0.65 -0.18 0.00 -0.03 0.00 0.00 56.01 55.30 1mur n LEU 111 Cb 0.24 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1mur n LEU 111 CO 0.22 -0.64 0.16 -0.83 -1.33 0.00 0.00 177.39 174.98 1mur s GLY 112 N -3.16 1.85 0.26 -0.72 0.00 0.73 -4.74 107.32 101.53 1mur s GLY 112 Ca 0.20 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.06 1mur s GLY 112 CO 0.13 -1.39 1.39 1.25 0.00 0.00 0.00 173.10 174.48 1mur s LYS 113 N -4.37 4.30 0.00 2.90 2.20 0.22 -1.43 119.74 123.56 1mur s LYS 113 Ca 0.53 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 1mur s LYS 113 Cb -0.10 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1mur s LYS 113 CO 0.33 -0.34 0.00 1.28 -0.36 0.00 0.00 175.35 176.26 1mur n LEU 114 N 1.99 0.92 0.00 5.43 4.77 -1.26 -4.26 117.00 124.59 1mur n LEU 114 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1mur n LEU 114 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1mur n LEU 114 CO 0.60 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1mur n GLY 115 N 2.51 1.70 3.91 -0.72 0.00 -1.26 -5.12 105.19 106.21 1mur n GLY 115 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1mur n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mur s SER 116 N 0.77 5.99 0.60 1.61 0.01 -1.26 -4.93 113.70 116.48 1mur s SER 116 Ca 0.00 0.84 0.33 0.00 1.31 0.00 0.00 55.95 58.43 1mur s SER 116 Cb 0.00 -2.02 1.92 0.00 0.21 0.00 0.00 66.02 66.13 1mur s SER 116 CO 0.00 -0.78 2.26 0.40 0.41 0.00 0.00 173.24 175.53 1mur h ILE 117 N 0.05 0.41 -0.02 1.44 2.04 -2.00 -0.65 117.51 118.79 1mur h ILE 117 Ca -0.46 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1mur h ILE 117 Cb 1.23 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1mur h ILE 117 CO 0.61 0.01 -0.21 0.00 0.00 0.00 0.00 178.15 178.56 1mur n GLN 118 N -3.64 1.46 -1.71 2.37 -0.00 -1.26 -4.94 117.38 109.65 1mur n GLN 118 Ca -0.03 -1.07 -0.40 0.00 -0.00 0.00 0.00 57.00 55.51 1mur n GLN 118 Cb 0.10 -1.48 0.03 0.00 -0.00 0.00 0.00 30.24 28.89 1mur n GLN 118 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1mur n LYS 119 N 0.16 1.74 0.13 2.61 5.02 -0.25 -4.92 118.16 122.64 1mur n LYS 119 Ca 0.13 0.63 0.07 0.00 -2.02 0.00 0.00 58.31 57.12 1mur n LYS 119 Cb 0.44 -2.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.04 1mur n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mur h ALA 120 N 1.66 0.70 -2.22 7.82 0.00 -1.92 -3.44 119.26 121.86 1mur h ALA 120 Ca -0.49 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 53.51 1mur h ALA 120 Cb 1.30 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 1mur h ALA 120 CO 0.58 0.37 0.42 -1.12 0.00 0.00 0.00 179.25 179.50 1mur s SER 121 N -5.96 6.66 0.30 0.00 0.01 -1.26 -4.49 113.70 108.96 1mur s SER 121 Ca 0.02 0.64 0.03 0.00 1.31 0.00 0.00 55.95 57.95 1mur s SER 121 Cb 0.08 -2.41 -0.06 0.00 0.21 0.00 0.00 66.02 63.84 1mur s SER 121 CO 0.75 -0.64 0.07 -0.13 0.41 0.00 0.00 173.24 173.70 1mur s ARG 122 N 3.01 1.55 0.00 12.44 0.52 0.15 -4.31 118.95 132.31 1mur s ARG 122 Ca 0.33 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 53.69 1mur s ARG 122 Cb -0.14 -0.61 0.00 0.00 0.52 0.00 0.00 34.95 34.72 1mur s ARG 122 CO 0.13 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1mur n GLY 123 N -0.59 -0.68 3.36 -3.53 0.00 -0.52 0.88 105.19 104.11 1mur n GLY 123 Ca -0.01 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1mur n GLY 123 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mur s TRP 124 N -3.96 1.71 -0.08 1.61 0.51 -0.99 -0.19 118.94 117.54 1mur s TRP 124 Ca 0.00 -0.72 0.01 0.00 -2.12 0.00 0.00 56.10 53.27 1mur s TRP 124 Cb 0.00 -0.91 -0.03 0.00 -0.81 0.00 0.00 33.47 31.72 1mur s TRP 124 CO 0.00 0.21 -0.08 -1.58 -0.51 0.00 0.00 176.95 174.99 1mur s TRP 125 N -3.13 2.90 -0.09 -1.98 0.52 0.10 -0.38 118.94 116.88 1mur s TRP 125 Ca 0.25 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.31 1mur s TRP 125 Cb 0.03 -1.73 0.02 0.00 -1.15 0.00 0.00 33.47 30.64 1mur s TRP 125 CO 0.08 0.25 -0.10 0.08 0.02 0.00 0.00 176.95 177.28 1mur s VAL 126 N -0.63 1.07 -0.25 4.03 1.01 0.13 -1.43 120.40 124.32 1mur s VAL 126 Ca 0.09 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1mur s VAL 126 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1mur s VAL 126 CO 0.02 0.36 0.11 -2.28 0.00 0.00 0.00 175.10 173.30 1mur s HIS 127 N 1.20 3.14 0.22 5.22 2.46 0.13 -1.84 115.29 125.82 1mur s HIS 127 Ca -0.05 -0.20 0.11 0.00 0.47 0.00 0.00 55.06 55.39 1mur s HIS 127 Cb -0.14 -2.27 -0.05 0.00 -0.13 0.00 0.00 32.58 30.00 1mur s HIS 127 CO -0.03 -0.25 -0.21 -1.12 -2.47 0.00 0.00 174.74 170.67 1mur s SER 128 N 1.54 3.26 -0.17 9.88 0.01 0.09 -0.26 113.70 128.05 1mur s SER 128 Ca 0.06 -0.94 -0.00 0.00 1.31 0.00 0.00 55.95 56.38 1mur s SER 128 Cb -0.15 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 65.88 1mur s SER 128 CO 0.06 0.04 -0.06 -0.69 0.41 0.00 0.00 173.24 172.99 1mur s VAL 129 N -2.15 1.18 -0.21 3.43 1.01 0.50 -1.68 120.40 122.48 1mur s VAL 129 Ca 0.23 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1mur s VAL 129 Cb -0.06 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1mur s VAL 129 CO 0.11 0.14 -0.03 -0.22 0.00 0.00 0.00 175.10 175.10 1mur s LEU 130 N 1.60 3.01 -0.14 3.92 2.96 0.29 -0.58 118.68 129.74 1mur s LEU 130 Ca 0.01 -0.33 -0.20 0.00 -0.22 0.00 0.00 54.13 53.39 1mur s LEU 130 Cb -0.15 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1mur s LEU 130 CO -0.08 0.01 0.57 -0.22 -1.32 0.00 0.00 176.35 175.31 1mur s LEU 131 N 1.32 4.24 0.21 -0.68 2.96 -0.37 -0.63 118.68 125.72 1mur s LEU 131 Ca 0.04 0.89 0.10 0.00 -0.22 0.00 0.00 54.13 54.94 1mur s LEU 131 Cb -0.14 -2.83 -0.05 0.00 0.50 0.00 0.00 46.19 43.67 1mur s LEU 131 CO -0.01 -0.12 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.95 1mur s LEU 132 N 1.11 2.50 -0.14 -0.68 1.43 -0.67 0.15 118.68 122.37 1mur s LEU 132 Ca 0.29 -0.94 -0.19 0.00 -1.03 0.00 0.00 54.13 52.26 1mur s LEU 132 Cb -0.16 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 1mur s LEU 132 CO 0.12 -0.00 0.53 -1.83 0.23 0.00 0.00 176.35 175.40 1mur s GLU 133 N -3.13 4.30 0.00 1.70 4.04 0.94 -1.52 118.70 125.03 1mur s GLU 133 Ca 0.22 0.51 0.19 0.00 0.04 0.00 0.00 54.97 55.93 1mur s GLU 133 Cb -0.05 -3.49 1.14 0.00 0.02 0.00 0.00 34.13 31.75 1mur s GLU 133 CO 0.10 0.02 1.54 0.00 -1.84 0.00 0.00 175.26 175.08 1mur n ALA 134 N 4.14 2.23 -0.07 -0.84 0.00 0.13 0.10 120.51 126.21 1mur n ALA 134 Ca -0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 1mur n ALA 134 Cb 0.51 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 1mur n ALA 134 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1mur h THR 135 N 0.00 0.27 -0.00 0.00 2.02 -1.91 -3.41 112.91 109.88 1mur h THR 135 Ca 0.00 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1mur h THR 135 Cb 0.00 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1mur h THR 135 CO 0.00 0.09 -0.64 0.35 0.37 0.00 0.00 175.52 175.69 1mur n THR 136 N -4.61 0.00 -1.25 3.16 -2.24 -1.24 -4.98 114.28 103.12 1mur n THR 136 Ca -0.11 -0.18 -0.03 0.00 -2.27 0.00 0.00 64.05 61.46 1mur n THR 136 Cb 0.31 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 1mur n THR 136 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1mur n PHE 137 N -1.07 -0.02 -1.76 4.78 3.01 0.12 -5.02 117.46 117.49 1mur n PHE 137 Ca 0.04 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.18 1mur n PHE 137 Cb 0.27 -1.02 0.03 0.00 -0.01 0.00 0.00 39.48 38.75 1mur n PHE 137 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1mur s ARG 138 N -2.58 3.11 -0.02 -1.08 0.52 -1.23 -4.58 118.95 113.08 1mur s ARG 138 Ca 0.00 1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 55.94 1mur s ARG 138 Cb 0.00 -2.01 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 1mur s ARG 138 CO 0.00 -0.97 1.04 0.99 0.02 0.00 0.00 175.30 176.38 1mur s THR 139 N -2.84 4.66 -0.22 0.02 2.01 -1.26 -0.04 115.64 117.97 1mur s THR 139 Ca 0.60 1.92 -0.06 0.00 0.31 0.00 0.00 61.69 64.45 1mur s THR 139 Cb -0.14 -4.23 -0.19 0.00 0.01 0.00 0.00 72.50 67.95 1mur s THR 139 CO 0.48 0.10 -0.05 0.52 -0.69 0.00 0.00 174.62 174.97 1mur n VAL 140 N 4.14 1.58 0.00 3.82 0.31 0.39 -4.90 118.33 123.66 1mur n VAL 140 Ca 0.08 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1mur n VAL 140 Cb 0.49 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1mur n VAL 140 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mur n GLY 141 N 1.88 2.15 3.73 2.92 0.00 -0.86 -4.83 105.19 110.19 1mur n GLY 141 Ca -0.43 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1mur n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mur s LEU 142 N 0.00 4.41 -0.17 0.99 1.43 -1.26 -1.24 118.68 122.83 1mur s LEU 142 Ca 0.00 2.22 0.05 0.00 -1.03 0.00 0.00 54.13 55.37 1mur s LEU 142 Cb 0.00 -3.60 -0.14 0.00 0.03 0.00 0.00 46.19 42.49 1mur s LEU 142 CO 0.00 -0.47 -0.11 -0.11 0.23 0.00 0.00 176.35 175.89 1mur n LEU 143 N 3.14 2.16 -3.51 1.79 7.94 0.25 -4.25 117.00 124.52 1mur n LEU 143 Ca 0.07 -0.07 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 1mur n LEU 143 Cb 0.44 -0.37 -0.05 0.00 0.53 0.00 0.00 43.42 43.97 1mur n LEU 143 CO 0.57 0.69 0.50 -2.28 -1.11 0.00 0.00 177.39 175.75 1mur s HIS 144 N -2.37 -0.57 -0.11 1.96 5.04 -0.89 -4.84 115.29 113.51 1mur s HIS 144 Ca -0.20 0.85 -0.06 0.00 -1.54 0.00 0.00 55.06 54.11 1mur s HIS 144 Cb 0.06 0.45 0.05 0.00 0.04 0.00 0.00 32.58 33.18 1mur s HIS 144 CO 0.48 -0.61 0.26 -0.65 -2.34 0.00 0.00 174.74 171.87 1mur s GLN 145 N -1.78 0.22 -0.14 2.88 -0.21 -1.25 -0.37 119.66 119.02 1mur s GLN 145 Ca -0.06 0.54 0.01 0.00 0.02 0.00 0.00 55.36 55.87 1mur s GLN 145 Cb -0.00 -0.10 0.00 0.00 1.00 0.00 0.00 33.01 33.90 1mur s GLN 145 CO 0.03 -0.16 -0.18 -2.00 -2.12 0.00 0.00 175.29 170.86 1mur s GLU 146 N 1.21 3.15 -0.12 2.91 2.12 0.64 -4.92 118.70 123.69 1mur s GLU 146 Ca -0.09 -0.79 -0.01 0.00 0.36 0.00 0.00 54.97 54.44 1mur s GLU 146 Cb -0.10 -2.52 -0.02 0.00 0.26 0.00 0.00 34.13 31.75 1mur s GLU 146 CO -0.08 0.06 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.03 1mur s TRP 147 N 0.67 2.90 0.16 5.30 0.52 -1.26 0.18 118.94 127.41 1mur s TRP 147 Ca -0.09 -0.35 -0.11 0.00 0.02 0.00 0.00 56.10 55.58 1mur s TRP 147 Cb -0.16 -1.84 0.00 0.00 -1.15 0.00 0.00 33.47 30.32 1mur s TRP 147 CO 0.02 -0.01 0.31 1.67 0.02 0.00 0.00 176.95 178.96 1mur s TRP 148 N 0.03 0.25 -0.16 -1.98 -2.14 -0.51 -4.98 118.94 109.45 1mur s TRP 148 Ca -0.02 -0.62 0.00 0.00 2.66 0.00 0.00 56.10 58.12 1mur s TRP 148 Cb -0.14 0.03 0.00 0.00 -3.10 0.00 0.00 33.47 30.26 1mur s TRP 148 CO 0.03 -0.72 -0.16 -1.64 -2.66 0.00 0.00 176.95 171.81 1mur s MET 149 N -3.93 3.19 -0.25 3.25 -1.94 -1.26 -0.72 119.30 117.63 1mur s MET 149 Ca 0.13 -0.76 -0.22 0.00 -1.71 0.00 0.00 55.69 53.14 1mur s MET 149 Cb 0.03 -2.63 -0.02 0.00 2.01 0.00 0.00 34.83 34.22 1mur s MET 149 CO -0.03 -0.03 0.68 0.50 -0.01 0.00 0.00 175.02 176.14 1mur s ARG 150 N 0.91 4.14 0.60 2.03 3.52 -1.26 -4.89 118.95 124.00 1mur s ARG 150 Ca -0.03 0.66 -0.19 0.00 -0.13 0.00 0.00 55.73 56.03 1mur s ARG 150 Cb -0.15 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 1mur s ARG 150 CO -0.02 -0.43 1.28 -1.25 -0.81 0.00 0.00 175.30 174.07 1mur s PRO 151 N 2.56 2.85 0.36 5.12 0.04 -1.26 0.70 135.00 145.37 1mur s PRO 151 Ca 0.29 2.04 0.09 0.00 0.04 0.00 0.00 61.00 63.45 1mur s PRO 151 Cb -0.15 -1.99 0.82 0.00 0.04 0.00 0.00 34.50 33.21 1mur s PRO 151 CO 0.08 -1.36 1.88 -0.44 0.04 0.00 0.00 177.00 177.20 1mur h ASP 152 N 0.92 0.65 -3.56 6.66 3.32 -1.95 -3.36 116.42 119.10 1mur h ASP 152 Ca -0.51 0.04 -0.67 0.00 0.02 0.00 0.00 57.03 55.91 1mur h ASP 152 Cb 1.31 -0.09 -0.31 0.00 0.22 0.00 0.00 39.33 40.46 1mur h ASP 152 CO 0.55 0.33 -0.72 -0.62 -1.72 0.00 0.00 179.24 177.06 1mur s ASP 153 N -5.81 4.50 0.54 6.45 2.15 -1.26 -4.96 116.67 118.28 1mur s ASP 153 Ca -0.10 -0.91 0.36 0.00 0.43 0.00 0.00 52.55 52.33 1mur s ASP 153 Cb 0.22 -1.70 1.53 0.00 -0.30 0.00 0.00 42.92 42.67 1mur s ASP 153 CO 0.79 -0.15 1.80 -0.65 -0.17 0.00 0.00 175.17 176.79 1mur h PRO 154 N 8.04 0.02 0.00 4.34 0.11 -1.99 1.51 132.00 144.03 1mur h PRO 154 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1mur h PRO 154 Cb 1.10 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1mur h PRO 154 CO 0.57 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 1mur h ALA 155 N 1.42 1.00 0.00 -0.75 0.00 -1.93 -1.21 119.26 117.79 1mur h ALA 155 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1mur h ALA 155 Cb 2.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1mur h ALA 155 CO -0.02 0.00 -0.27 -0.25 0.00 0.00 0.00 179.25 178.71 1mur n ASP 156 N -2.85 0.28 -4.69 0.00 8.00 0.52 -4.85 116.55 112.95 1mur n ASP 156 Ca -0.00 0.10 -0.44 0.00 0.71 0.00 0.00 54.79 55.17 1mur n ASP 156 Cb 0.21 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1mur n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mur n ALA 157 N -1.51 2.13 1.20 2.24 0.00 -0.46 -4.89 120.51 119.22 1mur n ALA 157 Ca 0.06 0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.98 1mur n ALA 157 Cb 0.34 -2.51 0.37 0.00 0.00 0.00 0.00 19.45 17.65 1mur n ALA 157 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mur n ASP 158 N 4.61 1.74 0.00 0.00 8.00 -1.26 -4.91 116.55 124.72 1mur n ASP 158 Ca 0.17 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.96 1mur n ASP 158 Cb 0.34 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1mur n ASP 158 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1mur n GLU 159 N 0.37 0.00 -2.22 -1.24 0.28 -1.26 -5.16 120.64 111.41 1mur n GLU 159 Ca 0.16 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.75 1mur n GLU 159 Cb 0.34 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.18 1mur n GLU 159 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1mur s LYS 160 N -1.16 4.41 0.57 3.44 -0.14 -1.26 -4.92 119.74 120.68 1mur s LYS 160 Ca 0.00 2.08 0.27 0.00 -1.36 0.00 0.00 55.97 56.96 1mur s LYS 160 Cb 0.00 -3.15 1.59 0.00 -1.68 0.00 0.00 37.83 34.59 1mur s LYS 160 CO 0.00 -0.16 2.11 0.93 -0.76 0.00 0.00 175.35 177.47 1mur h GLU 161 N 4.40 0.00 0.00 1.68 5.08 -2.02 -1.22 114.58 122.50 1mur h GLU 161 Ca -0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1mur h GLU 161 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1mur h GLU 161 CO 0.71 0.00 -0.00 0.66 -1.00 0.00 0.00 179.01 179.38 1mur h SER 162 N 0.00 0.00 0.10 1.42 4.64 -1.98 -1.57 113.55 116.15 1mur h SER 162 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1mur h SER 162 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1mur h SER 162 CO -0.00 0.00 -0.01 1.23 -0.87 0.00 0.00 176.83 177.19 1mur h GLY 163 N 1.08 0.00 -0.32 -0.77 0.00 -1.60 -3.12 103.07 98.35 1mur h GLY 163 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1mur h GLY 163 CO 0.00 0.00 -0.41 0.07 0.00 0.00 0.00 176.54 176.20 1mur h LYS 164 N 0.00 -0.29 -1.01 4.80 2.10 -1.48 0.41 116.57 121.11 1mur h LYS 164 Ca -0.00 0.02 0.22 0.00 -2.00 0.00 0.00 60.65 58.89 1mur h LYS 164 Cb 0.06 0.06 -0.11 0.00 -0.90 0.00 0.00 32.23 31.34 1mur h LYS 164 CO 0.00 -0.19 0.62 -1.49 -2.00 0.00 0.00 179.45 176.39 1mur h TRP 165 N -0.30 0.94 -0.14 0.07 4.06 -1.79 0.22 115.95 119.03 1mur h TRP 165 Ca 0.15 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 61.07 1mur h TRP 165 Cb 0.57 -0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1mur h TRP 165 CO -0.63 0.14 -0.15 -0.07 -3.56 0.00 0.00 178.44 174.17 1mur h LEU 166 N 0.61 0.37 -0.89 -4.49 4.07 -0.53 -2.06 115.31 112.40 1mur h LEU 166 Ca 0.60 -0.49 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 1mur h LEU 166 Cb 1.15 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.74 1mur h LEU 166 CO -0.39 0.79 0.44 0.00 -1.08 0.00 0.00 178.44 178.20 1mur h ALA 167 N 0.59 1.14 -0.35 1.53 0.00 0.16 -0.06 119.26 122.27 1mur h ALA 167 Ca 0.02 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1mur h ALA 167 Cb 0.69 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1mur h ALA 167 CO 0.04 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.93 1mur h ALA 168 N 1.25 0.30 -0.66 0.00 0.00 -0.53 -0.10 119.26 119.52 1mur h ALA 168 Ca 0.30 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1mur h ALA 168 Cb 0.08 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1mur h ALA 168 CO -0.04 -0.42 0.37 0.00 0.00 0.00 0.00 179.25 179.16 1mur h ALA 169 N 1.32 0.88 -0.54 0.00 0.00 -0.57 0.19 119.26 120.54 1mur h ALA 169 Ca 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1mur h ALA 169 Cb 0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1mur h ALA 169 CO -0.30 0.06 0.30 0.00 0.00 0.00 0.00 179.25 179.30 1mur h ALA 170 N 1.34 0.69 -0.37 0.00 0.00 -0.12 -2.24 119.26 118.56 1mur h ALA 170 Ca 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1mur h ALA 170 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1mur h ALA 170 CO -0.17 0.20 0.08 1.15 0.00 0.00 0.00 179.25 180.51 1mur h THR 171 N 0.72 1.23 -0.22 0.00 2.02 -0.29 -2.08 112.91 114.29 1mur h THR 171 Ca 0.19 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.59 1mur h THR 171 Cb 0.04 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 1mur h THR 171 CO -0.03 0.27 -0.33 0.28 0.37 0.00 0.00 175.52 176.08 1mur h SER 172 N 0.45 -1.11 -0.42 4.18 0.02 -0.65 0.56 113.55 116.58 1mur h SER 172 Ca 0.11 0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 1mur h SER 172 Cb 0.33 0.45 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1mur h SER 172 CO 0.00 -0.25 0.28 0.08 -1.14 0.00 0.00 176.83 175.81 1mur h ARG 173 N -0.26 0.40 -0.08 3.45 0.11 -1.42 0.47 114.38 117.06 1mur h ARG 173 Ca 0.04 -0.02 -0.15 0.00 0.10 0.00 0.00 59.98 59.94 1mur h ARG 173 Cb 0.36 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 1mur h ARG 173 CO -0.34 0.27 -0.62 1.25 0.10 0.00 0.00 179.97 180.62 1mur h LEU 174 N 0.41 0.33 0.14 0.08 5.85 -0.60 -1.53 115.31 120.00 1mur h LEU 174 Ca 0.18 -0.20 -0.29 0.00 0.84 0.00 0.00 57.88 58.41 1mur h LEU 174 Cb 0.19 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1mur h LEU 174 CO -0.04 0.87 -1.44 0.03 -0.34 0.00 0.00 178.44 177.52 1mur h ARG 175 N 0.21 0.30 0.00 1.25 3.08 0.34 -3.35 114.38 116.20 1mur h ARG 175 Ca -0.01 -0.50 -0.07 0.00 0.07 0.00 0.00 59.98 59.47 1mur h ARG 175 Cb 1.15 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 1mur h ARG 175 CO 0.10 1.24 -0.32 0.52 -1.07 0.00 0.00 179.97 180.44 1mur h MET 176 N -0.20 0.00 0.00 0.04 2.86 -0.20 -3.49 114.93 113.94 1mur h MET 176 Ca -0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1mur h MET 176 Cb 1.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.50 1mur h MET 176 CO 0.10 0.32 0.00 0.41 1.06 0.00 0.00 176.91 178.80 1mur n GLY 177 N 0.57 3.02 0.00 8.32 0.00 -0.57 -0.84 105.19 115.69 1mur n GLY 177 Ca 0.01 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1mur n GLY 177 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mur n SER 178 N 2.75 0.00 0.17 1.61 3.41 -1.26 -1.48 113.62 118.82 1mur n SER 178 Ca 0.00 0.40 0.08 0.00 -0.26 0.00 0.00 58.87 59.09 1mur n SER 178 Cb 0.00 -0.41 0.09 0.00 -0.26 0.00 0.00 64.21 63.63 1mur n SER 178 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1mur h MET 179 N 0.00 0.00 -1.11 4.33 2.07 -1.38 -3.33 114.93 115.51 1mur h MET 179 Ca 0.00 0.00 0.32 0.00 -2.07 0.00 0.00 59.70 57.95 1mur h MET 179 Cb 0.02 0.00 -0.11 0.00 -1.87 0.00 0.00 31.60 29.64 1mur h MET 179 CO 0.00 0.19 0.70 1.98 1.07 0.00 0.00 176.91 180.85 1mur h MET 180 N 0.00 0.30 0.00 1.72 4.05 -1.38 0.91 114.93 120.53 1mur h MET 180 Ca -0.01 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1mur h MET 180 Cb 1.17 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.90 1mur h MET 180 CO 0.03 0.20 0.00 0.66 0.23 0.00 0.00 176.91 178.02 1mur h SER 181 N 0.31 0.00 -0.00 1.39 4.64 -1.78 -0.68 113.55 117.42 1mur h SER 181 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 1mur h SER 181 Cb 1.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1mur h SER 181 CO -0.38 0.00 -0.06 0.59 -0.87 0.00 0.00 176.83 176.10 1mur n ASN 182 N -3.02 2.20 -4.65 4.97 5.03 0.31 -4.91 115.26 115.19 1mur n ASN 182 Ca -0.03 -1.69 -0.35 0.00 0.87 0.00 0.00 54.58 53.39 1mur n ASN 182 Cb 0.09 0.05 -0.09 0.00 -1.02 0.00 0.00 39.78 38.81 1mur n ASN 182 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1mur s VAL 183 N -2.08 4.79 -0.26 2.41 1.01 -0.26 0.14 120.40 126.14 1mur s VAL 183 Ca 0.31 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 1mur s VAL 183 Cb 0.20 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1mur s VAL 183 CO 0.35 0.48 0.02 -0.63 0.00 0.00 0.00 175.10 175.32 1mur s ILE 184 N 0.16 3.63 0.33 2.22 1.01 0.32 -3.86 121.20 125.02 1mur s ILE 184 Ca 0.05 -0.62 -0.26 0.00 0.00 0.00 0.00 60.65 59.82 1mur s ILE 184 Cb -0.12 -2.78 -0.10 0.00 0.01 0.00 0.00 42.46 39.47 1mur s ILE 184 CO 0.01 0.24 0.96 0.00 0.00 0.00 0.00 174.94 176.15 1mur s ALA 185 N 1.48 3.21 -0.10 9.38 0.00 -0.23 0.71 121.76 136.20 1mur s ALA 185 Ca 0.04 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1mur s ALA 185 Cb -0.16 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1mur s ALA 185 CO -0.00 0.12 -0.13 0.08 0.00 0.00 0.00 175.76 175.83 1mur s VAL 186 N -1.59 1.31 0.02 0.00 1.01 0.37 -0.36 120.40 121.16 1mur s VAL 186 Ca 0.51 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1mur s VAL 186 Cb -0.20 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1mur s VAL 186 CO 0.25 0.41 0.11 0.00 0.00 0.00 0.00 175.10 175.86 1mur s ASP 188 N -1.82 2.67 0.59 0.00 1.47 -1.26 -1.89 116.67 116.43 1mur s ASP 188 Ca -0.09 0.17 0.28 0.00 1.18 0.00 0.00 52.55 54.09 1mur s ASP 188 Cb -0.04 -0.12 1.58 0.00 -0.34 0.00 0.00 42.92 44.00 1mur s ASP 188 CO -0.02 -3.00 2.02 0.03 0.68 0.00 0.00 175.17 174.88 1mur h ARG 189 N -1.83 0.00 0.00 2.11 3.08 -1.94 -0.33 114.38 115.47 1mur h ARG 189 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1mur h ARG 189 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1mur h ARG 189 CO 0.31 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 177.30 1mur n GLU 190 N -3.80 0.13 0.00 0.04 0.00 -1.26 -0.54 120.64 115.21 1mur n GLU 190 Ca 0.04 0.20 0.09 0.00 0.00 0.00 0.00 57.16 57.49 1mur n GLU 190 Cb 0.46 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.47 1mur n GLU 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1mur n ALA 191 N -1.29 2.50 -2.02 4.31 0.00 -0.13 -4.82 120.51 119.06 1mur n ALA 191 Ca 0.04 -0.64 -0.26 0.00 0.00 0.00 0.00 53.44 52.58 1mur n ALA 191 Cb 0.07 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 1mur n ALA 191 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mur s ASP 192 N -1.56 4.94 -0.06 0.00 -1.08 0.30 -4.77 116.67 114.43 1mur s ASP 192 Ca 0.21 -1.20 -0.03 0.00 -0.52 0.00 0.00 52.55 51.02 1mur s ASP 192 Cb 0.15 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 39.08 1mur s ASP 192 CO 0.24 -3.08 0.13 -0.63 0.52 0.00 0.00 175.17 172.35 1mur s ILE 193 N 11.16 -0.10 0.19 4.11 1.01 -1.26 -4.83 121.20 131.49 1mur s ILE 193 Ca 0.71 0.23 -0.18 0.00 0.00 0.00 0.00 60.65 61.41 1mur s ILE 193 Cb -0.04 -0.23 0.16 0.00 0.01 0.00 0.00 42.46 42.36 1mur s ILE 193 CO 0.08 0.10 1.60 -0.74 0.00 0.00 0.00 174.94 175.98 1mur h HIS 194 N 7.54 -0.68 -0.99 3.97 -0.00 -1.99 0.66 115.15 123.66 1mur h HIS 194 Ca -0.36 0.06 0.22 0.00 -0.00 0.00 0.00 60.37 60.30 1mur h HIS 194 Cb 1.13 0.38 -0.12 0.00 -0.00 0.00 0.00 27.41 28.81 1mur h HIS 194 CO 0.44 -0.34 0.58 0.00 -0.00 0.00 0.00 177.93 178.61 1mur h ALA 195 N 1.21 1.70 0.03 5.26 0.00 -1.96 0.69 119.26 126.19 1mur h ALA 195 Ca 0.25 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1mur h ALA 195 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1mur h ALA 195 CO -0.64 -0.19 -0.01 -0.92 0.00 0.00 0.00 179.25 177.48 1mur h TYR 196 N 0.63 -0.03 -0.45 0.00 3.20 -1.25 -1.10 116.97 117.97 1mur h TYR 196 Ca 0.61 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.57 1mur h TYR 196 Cb 1.09 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.29 1mur h TYR 196 CO -0.02 0.56 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.98 1mur h LEU 197 N -0.67 -0.21 -0.45 2.82 3.38 -0.32 0.87 115.31 120.73 1mur h LEU 197 Ca -0.00 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1mur h LEU 197 Cb 0.61 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1mur h LEU 197 CO 0.01 -0.07 0.19 -0.61 0.09 0.00 0.00 178.44 178.05 1mur h GLN 198 N 0.10 0.37 -0.29 1.13 4.15 0.34 -1.10 115.11 119.81 1mur h GLN 198 Ca 0.22 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 1mur h GLN 198 Cb 0.33 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1mur h GLN 198 CO -0.38 0.25 -0.06 0.22 -1.93 0.00 0.00 178.83 176.93 1mur h ASP 199 N 0.38 0.44 0.26 -0.69 3.58 0.28 -0.32 116.42 120.35 1mur h ASP 199 Ca 0.20 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1mur h ASP 199 Cb 0.16 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1mur h ASP 199 CO -0.18 0.56 -0.12 0.11 -2.88 0.00 0.00 179.24 176.72 1mur h LYS 200 N 0.45 -0.33 -0.21 0.28 1.79 -0.38 -2.57 116.57 115.59 1mur h LYS 200 Ca 0.09 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.63 1mur h LYS 200 Cb 0.39 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.06 1mur h LYS 200 CO 0.02 0.01 -0.12 -0.07 -1.08 0.00 0.00 179.45 178.21 1mur h LEU 201 N -0.75 -0.40 -0.74 2.94 3.38 -1.16 1.43 115.31 120.00 1mur h LEU 201 Ca -0.04 0.09 0.17 0.00 0.09 0.00 0.00 57.88 58.19 1mur h LEU 201 Cb 0.50 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 1mur h LEU 201 CO 0.06 -0.16 0.11 0.00 0.09 0.00 0.00 178.44 178.55 1mur h ALA 202 N 1.06 0.90 -0.29 1.53 0.00 -1.10 2.07 119.26 123.43 1mur h ALA 202 Ca 0.12 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1mur h ALA 202 Cb 0.28 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1mur h ALA 202 CO -0.28 -0.39 0.01 0.72 0.00 0.00 0.00 179.25 179.32 1mur n HIS 203 N -5.23 1.05 -4.18 0.00 8.25 -0.55 -4.85 115.22 109.70 1mur n HIS 203 Ca 0.14 -0.38 -0.34 0.00 -0.26 0.00 0.00 57.72 56.88 1mur n HIS 203 Cb 0.48 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 1mur n HIS 203 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1mur n ASN 204 N 0.29 -2.68 -4.95 0.41 3.02 0.70 -4.88 115.26 107.18 1mur n ASN 204 Ca 0.14 -1.02 -0.23 0.00 -0.03 0.00 0.00 54.58 53.44 1mur n ASN 204 Cb 0.73 -2.78 0.01 0.00 -0.61 0.00 0.00 39.78 37.13 1mur n ASN 204 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1mur s GLU 205 N -6.88 3.10 0.06 3.52 2.02 0.48 -4.96 118.70 116.03 1mur s GLU 205 Ca 0.59 -0.50 0.03 0.00 0.02 0.00 0.00 54.97 55.12 1mur s GLU 205 Cb -0.32 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 1mur s GLU 205 CO 0.92 -0.23 0.05 1.03 0.02 0.00 0.00 175.26 177.06 1mur s ARG 206 N -4.53 2.83 -0.01 1.61 0.52 -1.25 -4.48 118.95 113.64 1mur s ARG 206 Ca 0.48 -0.68 -0.29 0.00 -0.52 0.00 0.00 55.73 54.72 1mur s ARG 206 Cb -0.10 -2.70 0.10 0.00 0.52 0.00 0.00 34.95 32.77 1mur s ARG 206 CO 0.38 0.58 0.93 -0.59 0.02 0.00 0.00 175.30 176.61 1mur s PHE 207 N -1.31 -0.31 -0.14 -0.53 -0.12 -1.26 -1.07 117.98 113.24 1mur s PHE 207 Ca 0.26 0.17 -0.02 0.00 -0.05 0.00 0.00 56.93 57.29 1mur s PHE 207 Cb -0.12 0.54 0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1mur s PHE 207 CO 0.19 -0.53 0.03 0.08 -0.05 0.00 0.00 175.22 174.93 1mur s VAL 208 N -3.06 0.43 -0.05 -2.49 1.01 0.52 -2.13 120.40 114.62 1mur s VAL 208 Ca 0.06 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1mur s VAL 208 Cb -0.01 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1mur s VAL 208 CO -0.08 -0.03 -0.09 -0.69 0.00 0.00 0.00 175.10 174.21 1mur s VAL 209 N 1.92 0.91 0.36 2.92 1.01 0.56 -1.42 120.40 126.66 1mur s VAL 209 Ca 0.02 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.37 1mur s VAL 209 Cb -0.15 -0.85 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 1mur s VAL 209 CO -0.07 0.30 1.28 -0.60 0.00 0.00 0.00 175.10 176.01 1mur s ARG 210 N 0.70 4.23 -0.16 2.72 3.52 -0.79 -0.09 118.95 129.08 1mur s ARG 210 Ca -0.13 2.14 -0.27 0.00 -0.13 0.00 0.00 55.73 57.35 1mur s ARG 210 Cb -0.15 -2.95 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1mur s ARG 210 CO 0.02 -0.26 0.89 0.45 -0.81 0.00 0.00 175.30 175.59 1mur s SER 211 N -0.64 7.04 0.00 -2.12 0.15 0.41 -3.87 113.70 114.67 1mur s SER 211 Ca 0.52 1.27 0.00 0.00 0.70 0.00 0.00 55.95 58.44 1mur s SER 211 Cb -0.38 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 1mur s SER 211 CO 0.50 -0.42 0.00 1.17 1.20 0.00 0.00 173.24 175.68 1mur n LYS 212 N 5.23 0.00 -2.25 5.44 4.81 -1.26 -4.80 118.16 125.32 1mur n LYS 212 Ca 0.06 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.13 1mur n LYS 212 Cb 0.49 -0.24 -0.01 0.00 0.02 0.00 0.00 35.03 35.29 1mur n LYS 212 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1mur s HIS 213 N -0.57 2.83 -0.28 5.64 3.76 -1.26 -4.98 115.29 120.43 1mur s HIS 213 Ca 0.00 1.54 -0.28 0.00 -0.15 0.00 0.00 55.06 56.17 1mur s HIS 213 Cb 0.00 -3.37 0.01 0.00 1.11 0.00 0.00 32.58 30.34 1mur s HIS 213 CO 0.00 -1.53 1.01 -2.14 -0.85 0.00 0.00 174.74 171.23 1mur s PRO 214 N -2.81 4.13 0.21 8.40 0.02 -1.26 -5.02 135.00 138.68 1mur s PRO 214 Ca 0.65 1.10 0.09 0.00 0.02 0.00 0.00 61.00 62.86 1mur s PRO 214 Cb -0.28 -3.70 -0.04 0.00 0.02 0.00 0.00 34.50 30.50 1mur s PRO 214 CO 0.33 -0.75 -0.08 1.03 -0.33 0.00 0.00 177.00 177.20 1mur s ARG 215 N 3.35 2.09 -0.16 5.54 0.52 -1.26 -5.03 118.95 124.01 1mur s ARG 215 Ca 0.42 -1.35 -0.07 0.00 -0.52 0.00 0.00 55.73 54.21 1mur s ARG 215 Cb -0.14 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 1mur s ARG 215 CO 0.11 0.41 0.09 0.15 0.02 0.00 0.00 175.30 176.08 1mur s LYS 216 N -3.11 3.75 -0.32 3.54 1.02 -1.26 -1.72 119.74 121.64 1mur s LYS 216 Ca 0.27 -0.26 -0.21 0.00 0.02 0.00 0.00 55.97 55.79 1mur s LYS 216 Cb -0.08 -3.20 -0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1mur s LYS 216 CO 0.16 0.48 0.66 0.34 -0.92 0.00 0.00 175.35 176.07 1mur s ASP 217 N -0.19 6.50 0.26 2.83 2.15 0.32 -3.99 116.67 124.55 1mur s ASP 217 Ca 0.09 0.37 -0.02 0.00 0.43 0.00 0.00 52.55 53.42 1mur s ASP 217 Cb -0.12 -2.34 0.56 0.00 -0.30 0.00 0.00 42.92 40.73 1mur s ASP 217 CO 0.01 -0.54 1.69 0.58 -0.17 0.00 0.00 175.17 176.74 1mur h VAL 218 N 5.60 0.49 0.00 1.11 2.07 0.26 1.66 116.25 127.44 1mur h VAL 218 Ca -0.26 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 66.96 1mur h VAL 218 Cb 1.11 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1mur h VAL 218 CO 0.83 0.06 -0.88 -0.08 0.02 0.00 0.00 177.57 177.51 1mur h GLU 219 N 0.32 0.00 0.00 1.57 4.81 -1.94 -3.27 114.58 116.06 1mur h GLU 219 Ca 0.47 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.50 1mur h GLU 219 Cb 0.84 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 1mur h GLU 219 CO -0.53 0.88 -1.85 -1.13 -0.73 0.00 0.00 179.01 175.66 1mur n SER 220 N -3.42 0.43 -0.58 1.04 3.41 -0.98 -4.95 113.62 108.58 1mur n SER 220 Ca -0.00 0.19 -0.08 0.00 -0.26 0.00 0.00 58.87 58.73 1mur n SER 220 Cb 0.86 0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 65.54 1mur n SER 220 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mur n GLY 221 N 1.49 0.92 3.94 5.00 0.00 0.56 -4.99 105.19 112.11 1mur n GLY 221 Ca -0.16 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 1mur n GLY 221 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mur s LEU 222 N -1.71 2.96 0.06 0.99 1.43 -1.16 -4.81 118.68 116.43 1mur s LEU 222 Ca 0.00 -1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 51.93 1mur s LEU 222 Cb 0.00 -1.50 -0.06 0.00 0.03 0.00 0.00 46.19 44.66 1mur s LEU 222 CO 0.00 -1.09 0.46 -0.31 0.23 0.00 0.00 176.35 175.64 1mur s TYR 223 N -2.68 3.69 0.26 0.29 1.51 -1.26 0.12 117.35 119.28 1mur s TYR 223 Ca 0.45 1.02 -0.05 0.00 -1.01 0.00 0.00 57.07 57.49 1mur s TYR 223 Cb -0.04 -2.32 0.50 0.00 -0.11 0.00 0.00 41.96 39.99 1mur s TYR 223 CO 0.28 0.57 1.41 1.28 -1.11 0.00 0.00 175.55 177.98 1mur n LEU 224 N 1.44 -0.26 0.26 -1.29 4.77 -0.70 0.27 117.00 121.49 1mur n LEU 224 Ca -0.11 1.54 -0.17 0.00 -0.03 0.00 0.00 56.01 57.25 1mur n LEU 224 Cb 0.52 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 1mur n LEU 224 CO 0.40 -1.51 0.58 0.22 -1.33 0.00 0.00 177.39 175.75 1mur h TYR 225 N 0.00 -1.18 -0.92 -1.77 3.20 -1.93 0.73 116.97 115.11 1mur h TYR 225 Ca 0.47 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.47 1mur h TYR 225 Cb 0.80 0.46 -0.09 0.00 1.54 0.00 0.00 36.73 39.44 1mur h TYR 225 CO -0.62 -0.59 0.54 -0.44 -1.64 0.00 0.00 178.16 175.41 1mur h ASP 226 N -0.87 0.75 -0.10 -2.11 3.32 -1.16 1.40 116.42 117.64 1mur h ASP 226 Ca -0.04 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1mur h ASP 226 Cb 0.77 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1mur h ASP 226 CO -0.07 0.38 -0.01 -0.74 -1.72 0.00 0.00 179.24 177.08 1mur h HIS 227 N 0.83 0.20 -0.81 4.55 2.76 0.46 -3.11 115.15 120.03 1mur h HIS 227 Ca 0.47 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.57 1mur h HIS 227 Cb 0.53 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.41 1mur h HIS 227 CO -0.04 0.46 0.38 -0.07 -1.30 0.00 0.00 177.93 177.36 1mur h LEU 228 N -0.12 1.07 -1.90 0.26 3.38 0.19 -2.03 115.31 116.17 1mur h LEU 228 Ca 0.03 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.02 1mur h LEU 228 Cb 0.39 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1mur h LEU 228 CO 0.01 0.91 0.55 0.11 0.09 0.00 0.00 178.44 180.12 1mur h LYS 229 N 1.16 0.00 -0.01 1.13 1.57 0.19 0.14 116.57 120.74 1mur h LYS 229 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1mur h LYS 229 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1mur h LYS 229 CO -0.03 0.00 -0.20 0.09 -0.57 0.00 0.00 179.45 178.73 1mur n ASN 230 N -3.78 1.34 -4.79 0.86 3.02 -0.76 -4.90 115.26 106.25 1mur n ASN 230 Ca 0.11 -1.16 -0.36 0.00 -0.03 0.00 0.00 54.58 53.13 1mur n ASN 230 Cb 0.77 0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 40.02 1mur n ASN 230 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1mur s GLN 231 N -2.35 4.40 0.45 3.52 -1.52 0.48 -4.99 119.66 119.65 1mur s GLN 231 Ca 0.27 1.38 -0.25 0.00 -1.95 0.00 0.00 55.36 54.81 1mur s GLN 231 Cb 0.20 -2.65 -0.09 0.00 -0.22 0.00 0.00 33.01 30.25 1mur s GLN 231 CO 0.47 0.10 1.39 -0.35 -0.25 0.00 0.00 175.29 176.64 1mur n PRO 232 N 0.22 2.14 -2.13 2.91 -0.04 -1.26 -4.91 135.00 131.93 1mur n PRO 232 Ca 0.03 0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 63.84 1mur n PRO 232 Cb 0.50 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 1mur n PRO 232 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1mur s GLU 233 N -2.41 4.29 0.21 0.54 2.12 -1.26 -4.61 118.70 117.58 1mur s GLU 233 Ca 0.62 2.11 0.11 0.00 0.36 0.00 0.00 54.97 58.17 1mur s GLU 233 Cb -0.46 -3.34 0.03 0.00 0.26 0.00 0.00 34.13 30.61 1mur s GLU 233 CO 0.57 -0.51 1.41 -0.07 -0.54 0.00 0.00 175.26 176.12 1mur h LEU 234 N 7.31 0.00 0.00 2.70 3.38 -1.10 -3.49 115.31 124.10 1mur h LEU 234 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1mur h LEU 234 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1mur h LEU 234 CO 0.88 0.73 0.00 0.61 0.09 0.00 0.00 178.44 180.75 1mur n GLY 235 N 1.09 0.13 0.00 0.83 0.00 -1.25 -4.71 105.19 101.27 1mur n GLY 235 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1mur n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mur n GLY 236 N 0.00 2.83 3.60 -0.02 0.00 -1.26 -1.59 105.19 108.75 1mur n GLY 236 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 1mur n GLY 236 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mur s TYR 237 N -5.55 0.09 0.07 1.61 -0.85 0.33 -4.92 117.35 108.13 1mur s TYR 237 Ca 0.00 -0.47 0.07 0.00 -0.52 0.00 0.00 57.07 56.16 1mur s TYR 237 Cb 0.00 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.66 1mur s TYR 237 CO 0.00 -1.00 -0.20 -0.65 -1.52 0.00 0.00 175.55 172.18 1mur s GLN 238 N -3.95 1.21 0.12 -3.49 -0.21 -1.26 -0.34 119.66 111.74 1mur s GLN 238 Ca 0.15 -1.03 0.06 0.00 0.02 0.00 0.00 55.36 54.57 1mur s GLN 238 Cb -0.02 -1.38 -0.04 0.00 1.00 0.00 0.00 33.01 32.58 1mur s GLN 238 CO 0.04 0.34 -0.15 0.96 -2.12 0.00 0.00 175.29 174.36 1mur s ILE 239 N -0.98 1.38 -0.36 1.08 -4.36 0.39 -4.92 121.20 113.43 1mur s ILE 239 Ca 0.06 -1.67 -0.03 0.00 -0.26 0.00 0.00 60.65 58.75 1mur s ILE 239 Cb -0.09 -1.50 0.08 0.00 1.25 0.00 0.00 42.46 42.19 1mur s ILE 239 CO 0.03 -0.35 0.11 -0.55 0.24 0.00 0.00 174.94 174.42 1mur s SER 240 N -2.33 5.13 -0.41 4.36 0.15 -1.26 0.12 113.70 119.46 1mur s SER 240 Ca 0.08 -1.60 -0.21 0.00 0.70 0.00 0.00 55.95 54.92 1mur s SER 240 Cb -0.06 -1.79 0.02 0.00 -1.71 0.00 0.00 66.02 62.47 1mur s SER 240 CO 0.03 -0.40 0.65 -0.63 1.20 0.00 0.00 173.24 174.09 1mur s ILE 241 N 1.23 4.84 0.74 6.45 1.01 1.23 -4.93 121.20 131.78 1mur s ILE 241 Ca 0.02 0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 1mur s ILE 241 Cb -0.21 -4.16 0.04 0.00 0.01 0.00 0.00 42.46 38.14 1mur s ILE 241 CO -0.02 -0.49 1.10 -2.16 0.00 0.00 0.00 174.94 173.37 1mur s PRO 242 N 2.80 2.37 0.60 2.79 0.04 -1.26 0.14 135.00 142.47 1mur s PRO 242 Ca 0.24 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 1mur s PRO 242 Cb -0.14 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1mur s PRO 242 CO 0.18 -1.57 1.06 -1.14 0.04 0.00 0.00 177.00 175.57 1mur s GLN 243 N -4.62 3.28 0.09 4.56 -0.44 -1.26 -4.33 119.66 116.94 1mur s GLN 243 Ca 0.63 1.23 -0.26 0.00 -2.50 0.00 0.00 55.36 54.46 1mur s GLN 243 Cb -0.19 -2.03 0.08 0.00 -1.64 0.00 0.00 33.01 29.24 1mur s GLN 243 CO 0.51 -0.84 0.84 -1.59 0.50 0.00 0.00 175.29 174.71 1mur s LYS 244 N -4.04 1.08 0.24 1.67 -2.85 -0.01 -4.91 119.74 110.91 1mur s LYS 244 Ca 0.64 -0.48 -0.06 0.00 -1.00 0.00 0.00 55.97 55.07 1mur s LYS 244 Cb -0.17 0.44 -0.06 0.00 -2.06 0.00 0.00 37.83 35.99 1mur s LYS 244 CO 0.37 -0.48 0.51 0.20 0.10 0.00 0.00 175.35 176.05 1mur s GLY 245 N -2.69 2.07 -0.04 0.59 0.00 -1.26 -0.20 107.32 105.79 1mur s GLY 245 Ca 0.07 -0.47 0.02 0.00 0.00 0.00 0.00 44.72 44.34 1mur s GLY 245 CO -0.05 -0.36 -0.09 0.14 0.00 0.00 0.00 173.10 172.74 1mur s VAL 246 N -1.91 0.82 -0.07 1.40 1.01 -0.37 -4.88 120.40 116.40 1mur s VAL 246 Ca 0.44 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1mur s VAL 246 Cb -0.11 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 1mur s VAL 246 CO 0.26 0.27 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 1mur s VAL 247 N 0.43 1.82 -0.34 2.92 1.01 -1.26 -0.51 120.40 124.47 1mur s VAL 247 Ca -0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1mur s VAL 247 Cb -0.11 -1.56 0.12 0.00 0.00 0.00 0.00 36.38 34.82 1mur s VAL 247 CO 0.01 0.51 0.16 1.51 0.00 0.00 0.00 175.10 177.29 1mur s ASP 248 N 0.18 3.53 0.00 3.32 1.47 -1.26 -4.94 116.67 118.96 1mur s ASP 248 Ca -0.11 -1.86 0.00 0.00 1.18 0.00 0.00 52.55 51.76 1mur s ASP 248 Cb -0.15 -0.62 0.00 0.00 -0.34 0.00 0.00 42.92 41.81 1mur s ASP 248 CO 0.05 -0.37 0.00 2.29 0.68 0.00 0.00 175.17 177.83 1mur n LYS 249 N 4.51 0.00 0.00 2.11 -0.00 -1.26 -4.78 118.16 118.74 1mur n LYS 249 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1mur n LYS 249 Cb 0.39 -0.29 0.00 0.00 -0.00 0.00 0.00 35.03 35.13 1mur n LYS 249 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1mur n LYS 252 N 0.00 0.00 -2.70 -1.58 5.02 -1.26 -5.30 118.16 112.33 1mur n LYS 252 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 1mur n LYS 252 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1mur n LYS 252 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1mur s ARG 253 N 0.00 4.14 0.00 1.97 0.52 -1.25 -4.20 118.95 120.13 1mur s ARG 253 Ca 0.00 1.26 0.00 0.00 -0.52 0.00 0.00 55.73 56.47 1mur s ARG 253 Cb 0.00 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1mur s ARG 253 CO 0.00 -0.12 0.00 0.36 0.02 0.00 0.00 175.30 175.56 1mur n LYS 254 N -0.53 0.00 -2.00 3.54 2.85 0.34 -4.98 118.16 117.38 1mur n LYS 254 Ca 0.07 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.99 1mur n LYS 254 Cb 0.53 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.93 1mur n LYS 254 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1mur s ASN 255 N 0.00 5.44 -0.49 -5.58 2.47 -1.26 -1.23 114.94 114.29 1mur s ASN 255 Ca 0.00 2.05 0.03 0.00 0.42 0.00 0.00 52.86 55.36 1mur s ASN 255 Cb 0.00 -2.56 0.16 0.00 -1.45 0.00 0.00 41.25 37.39 1mur s ASN 255 CO 0.00 -1.41 0.33 -0.60 -3.72 0.00 0.00 177.10 171.71 1mur s ARG 256 N -3.76 1.39 0.80 0.43 3.00 0.72 -4.86 118.95 116.67 1mur s ARG 256 Ca 0.69 -2.32 -0.15 0.00 -1.00 0.00 0.00 55.73 52.95 1mur s ARG 256 Cb -0.21 -2.21 0.02 0.00 0.00 0.00 0.00 34.95 32.55 1mur s ARG 256 CO 0.35 -1.27 0.75 -0.35 0.00 0.00 0.00 175.30 174.77 1mur n PRO 257 N 2.96 0.16 -1.59 5.12 -0.04 -1.26 -0.83 135.00 139.52 1mur n PRO 257 Ca 0.19 0.11 -0.30 0.00 -0.04 0.00 0.00 63.50 63.46 1mur n PRO 257 Cb 0.39 -2.06 0.07 0.00 -0.04 0.00 0.00 33.50 31.87 1mur n PRO 257 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mur s ALA 258 N -2.07 2.46 -0.10 0.55 0.00 -1.26 -4.51 121.76 116.84 1mur s ALA 258 Ca 0.67 -0.11 -0.32 0.00 0.00 0.00 0.00 51.96 52.19 1mur s ALA 258 Cb -0.30 -3.12 0.12 0.00 0.00 0.00 0.00 23.12 19.81 1mur s ALA 258 CO 0.57 -1.49 1.05 -0.98 0.00 0.00 0.00 175.76 174.91 1mur s ARG 259 N -5.13 0.56 -0.06 0.00 1.70 0.37 -4.90 118.95 111.49 1mur s ARG 259 Ca 0.60 -0.21 -0.05 0.00 -0.47 0.00 0.00 55.73 55.60 1mur s ARG 259 Cb -0.14 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 1mur s ARG 259 CO 0.54 -0.24 0.17 0.21 -1.08 0.00 0.00 175.30 174.90 1mur s LYS 260 N -2.76 3.45 0.00 3.89 2.47 -1.25 0.38 119.74 125.92 1mur s LYS 260 Ca 0.07 -0.22 0.01 0.00 -1.56 0.00 0.00 55.97 54.28 1mur s LYS 260 Cb -0.01 -3.14 -0.00 0.00 -1.46 0.00 0.00 37.83 33.22 1mur s LYS 260 CO -0.07 0.72 -0.04 0.00 0.16 0.00 0.00 175.35 176.12 1mur s ALA 261 N -1.19 0.33 -0.17 3.13 0.00 0.32 -4.91 121.76 119.27 1mur s ALA 261 Ca 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 1mur s ALA 261 Cb -0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1mur s ALA 261 CO 0.12 0.07 -0.09 -1.12 0.00 0.00 0.00 175.76 174.74 1mur s SER 262 N -0.22 4.16 0.09 0.00 0.01 -1.26 0.15 113.70 116.63 1mur s SER 262 Ca 0.00 -0.35 0.09 0.00 1.31 0.00 0.00 55.95 57.01 1mur s SER 262 Cb -0.02 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 1mur s SER 262 CO -0.00 0.08 -0.23 -0.76 0.41 0.00 0.00 173.24 172.74 1mur s LEU 263 N 0.85 2.44 -0.16 2.44 1.02 0.54 -0.68 118.68 125.13 1mur s LEU 263 Ca -0.03 -0.60 -0.09 0.00 0.02 0.00 0.00 54.13 53.44 1mur s LEU 263 Cb -0.15 -1.38 -0.05 0.00 0.02 0.00 0.00 46.19 44.64 1mur s LEU 263 CO 0.01 0.21 0.14 -0.94 0.02 0.00 0.00 176.35 175.79 1mur s SER 264 N -1.76 6.30 -0.07 2.29 1.04 0.15 -0.52 113.70 121.14 1mur s SER 264 Ca 0.15 0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.91 1mur s SER 264 Cb -0.10 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 1mur s SER 264 CO 0.06 0.28 0.01 -0.76 0.98 0.00 0.00 173.24 173.81 1mur s LEU 265 N -0.25 3.61 -0.15 2.42 1.43 -0.62 -1.24 118.68 123.88 1mur s LEU 265 Ca 0.11 0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 1mur s LEU 265 Cb -0.12 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.28 1mur s LEU 265 CO 0.01 0.36 0.67 -0.13 0.23 0.00 0.00 176.35 177.49 1mur s ARG 266 N -1.06 0.92 0.20 1.70 0.52 -1.04 -0.44 118.95 119.75 1mur s ARG 266 Ca 0.15 0.59 0.02 0.00 -0.52 0.00 0.00 55.73 55.96 1mur s ARG 266 Cb -0.11 0.44 -0.01 0.00 0.52 0.00 0.00 34.95 35.79 1mur s ARG 266 CO 0.04 -0.21 0.23 -1.13 0.02 0.00 0.00 175.30 174.25 1mur n SER 267 N 1.80 -0.62 0.00 0.23 3.41 -1.26 0.53 113.62 117.72 1mur n SER 267 Ca -0.17 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 1mur n SER 267 Cb 0.56 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 65.76 1mur n SER 267 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mur n GLY 268 N -0.36 2.22 3.85 5.00 0.00 -0.88 -4.86 105.19 110.17 1mur n GLY 268 Ca 0.02 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 1mur n GLY 268 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mur s ARG 269 N -2.00 3.97 0.10 1.61 6.06 -1.26 -0.86 118.95 126.57 1mur s ARG 269 Ca 0.00 0.77 -0.09 0.00 -2.50 0.00 0.00 55.73 53.91 1mur s ARG 269 Cb 0.00 -2.30 -0.00 0.00 0.06 0.00 0.00 34.95 32.71 1mur s ARG 269 CO 0.00 -0.04 0.22 0.96 -2.50 0.00 0.00 175.30 173.94 1mur s ILE 270 N -2.29 0.12 -0.03 4.11 -4.36 0.35 -4.90 121.20 114.20 1mur s ILE 270 Ca 0.56 -1.17 -0.01 0.00 -0.26 0.00 0.00 60.65 59.77 1mur s ILE 270 Cb -0.10 -1.41 0.03 0.00 1.25 0.00 0.00 42.46 42.23 1mur s ILE 270 CO 0.24 -0.57 0.03 -0.89 0.24 0.00 0.00 174.94 174.00 1mur s THR 271 N -3.87 0.00 0.17 8.37 2.01 -1.25 -0.28 115.64 120.79 1mur s THR 271 Ca 0.07 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 1mur s THR 271 Cb 0.04 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.32 1mur s THR 271 CO -0.09 0.15 0.40 -0.76 -0.69 0.00 0.00 174.62 173.63 1mur s LEU 272 N 1.59 4.24 0.06 4.42 1.43 0.11 0.93 118.68 131.46 1mur s LEU 272 Ca -0.02 0.56 -0.32 0.00 -1.03 0.00 0.00 54.13 53.31 1mur s LEU 272 Cb -0.13 -3.30 -0.17 0.00 0.03 0.00 0.00 46.19 42.63 1mur s LEU 272 CO -0.03 0.00 1.49 0.07 0.23 0.00 0.00 176.35 178.11 1mur h LYS 273 N 2.51 -0.99 -6.43 1.70 2.10 -1.88 -0.48 116.57 113.09 1mur h LYS 273 Ca -0.47 0.07 -0.57 0.00 -2.00 0.00 0.00 60.65 57.68 1mur h LYS 273 Cb 1.17 0.23 0.04 0.00 -0.90 0.00 0.00 32.23 32.77 1mur h LYS 273 CO 0.71 -0.66 1.04 1.04 -2.00 0.00 0.00 179.45 179.58 1mur n GLN 274 N -5.14 2.46 -0.23 0.07 3.00 -1.26 0.04 117.38 116.32 1mur n GLN 274 Ca -0.13 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 1mur n GLN 274 Cb 0.44 -2.75 0.00 0.00 0.00 0.00 0.00 30.24 27.92 1mur n GLN 274 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1mur n GLY 275 N 4.11 0.55 3.36 1.08 0.00 -1.26 -2.95 105.19 110.09 1mur n GLY 275 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1mur n GLY 275 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mur n ASN 276 N 0.00 -6.47 -4.82 1.61 5.15 0.11 -4.93 115.26 105.90 1mur n ASN 276 Ca 0.00 -0.64 -0.36 0.00 -0.60 0.00 0.00 54.58 52.98 1mur n ASN 276 Cb 0.00 -4.43 -0.07 0.00 -0.53 0.00 0.00 39.78 34.75 1mur n ASN 276 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1mur s ILE 277 N -3.26 5.15 -0.04 -1.44 -4.36 -0.22 -4.83 121.20 112.20 1mur s ILE 277 Ca 0.30 0.04 0.01 0.00 -0.26 0.00 0.00 60.65 60.73 1mur s ILE 277 Cb -0.07 -3.24 -0.03 0.00 1.25 0.00 0.00 42.46 40.37 1mur s ILE 277 CO 0.79 0.59 -0.03 -0.89 0.24 0.00 0.00 174.94 175.64 1mur s THR 278 N -1.02 3.99 0.12 8.37 2.01 -1.26 0.06 115.64 127.91 1mur s THR 278 Ca 0.16 -0.52 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 1mur s THR 278 Cb -0.12 -2.71 0.03 0.00 0.01 0.00 0.00 72.50 69.71 1mur s THR 278 CO 0.05 0.49 0.39 0.00 -0.69 0.00 0.00 174.62 174.87 1mur n LEU 279 N 1.81 0.00 -4.66 4.42 -0.00 0.62 -4.97 117.00 114.22 1mur n LEU 279 Ca -0.17 -0.83 -0.23 0.00 -0.00 0.00 0.00 56.01 54.78 1mur n LEU 279 Cb 0.53 1.39 -0.07 0.00 -0.00 0.00 0.00 43.42 45.26 1mur n LEU 279 CO 0.30 -0.28 -0.29 0.20 -0.00 0.00 0.00 177.39 177.32 1mur s ASN 280 N -1.97 4.46 0.01 1.45 0.01 0.27 0.13 114.94 119.30 1mur s ASN 280 Ca 0.08 -0.78 -0.12 0.00 -0.71 0.00 0.00 52.86 51.34 1mur s ASN 280 Cb -0.02 -0.72 0.01 0.00 0.41 0.00 0.00 41.25 40.94 1mur s ASN 280 CO 0.04 -0.13 0.25 0.00 -1.51 0.00 0.00 177.10 175.74 1mur s ALA 281 N -2.41 -0.58 0.05 0.60 0.00 -0.04 -0.94 121.76 118.44 1mur s ALA 281 Ca 0.34 0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.38 1mur s ALA 281 Cb -0.04 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 1mur s ALA 281 CO 0.20 -0.31 -0.14 0.08 0.00 0.00 0.00 175.76 175.60 1mur s VAL 282 N -1.88 1.12 -0.23 0.00 1.01 0.29 -2.06 120.40 118.66 1mur s VAL 282 Ca -0.10 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1mur s VAL 282 Cb -0.04 -1.03 0.07 0.00 0.00 0.00 0.00 36.38 35.38 1mur s VAL 282 CO 0.00 -0.03 0.03 -0.22 0.00 0.00 0.00 175.10 174.88 1mur s LEU 283 N -1.25 1.67 -0.18 3.92 2.96 0.19 -1.45 118.68 124.54 1mur s LEU 283 Ca 0.01 -1.07 -0.11 0.00 -0.22 0.00 0.00 54.13 52.74 1mur s LEU 283 Cb -0.08 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 45.79 1mur s LEU 283 CO 0.01 -0.32 0.19 0.00 -1.32 0.00 0.00 176.35 174.92 1mur s ALA 284 N 1.72 3.66 -0.07 5.97 0.00 0.16 -2.50 121.76 130.69 1mur s ALA 284 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 1mur s ALA 284 Cb -0.17 -2.24 0.03 0.00 0.00 0.00 0.00 23.12 20.73 1mur s ALA 284 CO -0.11 0.16 0.17 -2.00 0.00 0.00 0.00 175.76 173.97 1mur s GLU 285 N 0.33 0.16 0.37 0.00 2.12 -0.37 0.25 118.70 121.56 1mur s GLU 285 Ca 0.11 0.34 -0.27 0.00 0.36 0.00 0.00 54.97 55.51 1mur s GLU 285 Cb -0.12 -0.05 -0.10 0.00 0.26 0.00 0.00 34.13 34.13 1mur s GLU 285 CO 0.00 -0.10 1.33 -2.00 -0.54 0.00 0.00 175.26 173.96 1mur s GLU 286 N 0.71 4.13 0.01 4.30 2.12 0.58 -0.67 118.70 129.87 1mur s GLU 286 Ca -0.05 2.24 0.03 0.00 0.36 0.00 0.00 54.97 57.55 1mur s GLU 286 Cb -0.07 -2.91 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 1mur s GLU 286 CO -0.04 -0.38 -0.06 0.42 -0.54 0.00 0.00 175.26 174.66 1mur s ILE 287 N -1.19 3.70 -1.27 -3.70 1.01 0.14 -4.60 121.20 115.30 1mur s ILE 287 Ca 0.53 -0.78 -0.27 0.00 0.00 0.00 0.00 60.65 60.13 1mur s ILE 287 Cb -0.40 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.48 1mur s ILE 287 CO 0.53 0.37 0.58 0.59 0.00 0.00 0.00 174.94 177.01 1mur n ASN 288 N 1.48 -3.33 -4.76 3.58 3.02 -1.26 -4.62 115.26 109.37 1mur n ASN 288 Ca -0.15 -1.26 -0.35 0.00 -0.03 0.00 0.00 54.58 52.78 1mur n ASN 288 Cb 0.52 -1.86 0.04 0.00 -0.61 0.00 0.00 39.78 37.87 1mur n ASN 288 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1mur s PRO 289 N -7.28 2.92 1.44 3.52 0.04 -1.26 -4.97 135.00 129.41 1mur s PRO 289 Ca 0.40 1.72 -0.23 0.00 0.04 0.00 0.00 61.00 62.93 1mur s PRO 289 Cb -0.21 -1.94 0.37 0.00 0.04 0.00 0.00 34.50 32.76 1mur s PRO 289 CO 0.96 -1.22 0.88 -2.30 0.04 0.00 0.00 177.00 175.37 1mur n PRO 290 N -1.78 -4.53 -0.73 0.56 -0.02 -1.26 -4.97 135.00 122.27 1mur n PRO 290 Ca 0.13 -1.34 -0.12 0.00 -2.02 0.00 0.00 63.50 60.15 1mur n PRO 290 Cb 0.50 -1.95 0.04 0.00 -0.02 0.00 0.00 33.50 32.07 1mur n PRO 290 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1mur n LYS 291 N -5.63 1.60 -0.13 -0.52 5.02 -1.26 -4.93 118.16 112.31 1mur n LYS 291 Ca 0.12 -1.22 -0.04 0.00 -2.02 0.00 0.00 58.31 55.14 1mur n LYS 291 Cb 0.59 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1mur n LYS 291 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1mur n GLU 293 N 0.41 0.00 -1.85 1.97 0.00 -1.26 -5.21 120.64 114.71 1mur n GLU 293 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.98 1mur n GLU 293 Cb 0.65 -0.12 -0.03 0.00 0.00 0.00 0.00 31.44 31.95 1mur n GLU 293 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1mur s THR 294 N -0.23 2.66 0.01 3.84 2.01 -1.26 -4.95 115.64 117.72 1mur s THR 294 Ca 0.06 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 1mur s THR 294 Cb -0.04 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 1mur s THR 294 CO 0.08 0.01 1.31 -2.84 -0.69 0.00 0.00 174.62 172.49 1mur s PRO 295 N 2.08 4.34 0.47 4.92 0.02 -1.26 -4.98 135.00 140.58 1mur s PRO 295 Ca 0.75 1.87 -0.23 0.00 0.02 0.00 0.00 61.00 63.41 1mur s PRO 295 Cb -0.44 -3.48 -0.07 0.00 0.02 0.00 0.00 34.50 30.53 1mur s PRO 295 CO 0.33 -0.46 1.24 -0.51 -0.33 0.00 0.00 177.00 177.27 1mur s LEU 296 N 1.91 4.01 -0.29 -5.54 1.43 -1.26 -4.83 118.68 114.10 1mur s LEU 296 Ca 0.61 2.50 -0.13 0.00 -1.03 0.00 0.00 54.13 56.08 1mur s LEU 296 Cb -0.30 -4.18 0.12 0.00 0.03 0.00 0.00 46.19 41.86 1mur s LEU 296 CO 0.26 -1.08 0.73 -0.75 0.23 0.00 0.00 176.35 175.75 1mur s LYS 297 N -2.66 0.56 -0.03 1.70 2.20 -1.26 -0.31 119.74 119.94 1mur s LYS 297 Ca 0.64 1.23 0.04 0.00 -0.36 0.00 0.00 55.97 57.52 1mur s LYS 297 Cb -0.34 0.55 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 1mur s LYS 297 CO 0.41 -0.16 -0.15 -1.58 -0.36 0.00 0.00 175.35 173.51 1mur s TRP 298 N 2.36 1.45 -0.24 4.03 0.51 0.14 -4.98 118.94 122.20 1mur s TRP 298 Ca -0.07 -0.35 -0.00 0.00 -2.12 0.00 0.00 56.10 53.56 1mur s TRP 298 Cb -0.09 -0.96 0.07 0.00 -0.81 0.00 0.00 33.47 31.68 1mur s TRP 298 CO -0.19 -0.09 -0.01 -1.17 -0.51 0.00 0.00 176.95 174.98 1mur s LEU 299 N -0.10 2.33 -0.16 2.99 0.20 -1.26 0.38 118.68 123.06 1mur s LEU 299 Ca 0.00 -1.20 -0.03 0.00 0.69 0.00 0.00 54.13 53.59 1mur s LEU 299 Cb -0.09 -1.03 -0.03 0.00 -0.43 0.00 0.00 46.19 44.62 1mur s LEU 299 CO 0.01 -0.28 -0.04 -0.76 -0.29 0.00 0.00 176.35 174.98 1mur s LEU 300 N 1.50 3.19 -0.20 -0.68 1.43 -0.53 0.16 118.68 123.55 1mur s LEU 300 Ca -0.02 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 1mur s LEU 300 Cb -0.18 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1mur s LEU 300 CO -0.09 0.15 0.38 -0.76 0.23 0.00 0.00 176.35 176.26 1mur s LEU 301 N 0.46 4.17 0.12 1.79 1.43 0.86 -0.55 118.68 126.96 1mur s LEU 301 Ca -0.04 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 1mur s LEU 301 Cb -0.14 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1mur s LEU 301 CO 0.03 -0.05 0.26 0.28 0.23 0.00 0.00 176.35 177.10 1mur s THR 302 N 1.19 0.10 -0.88 5.49 -1.32 -0.11 -0.32 115.64 119.79 1mur s THR 302 Ca 0.18 -1.13 0.25 0.00 -1.21 0.00 0.00 61.69 59.78 1mur s THR 302 Cb -0.14 -1.47 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1mur s THR 302 CO 0.07 -0.47 1.35 -1.54 -2.21 0.00 0.00 174.62 171.83 1mur n SER 303 N -0.14 0.56 -4.89 8.08 3.41 -0.90 -0.57 113.62 119.16 1mur n SER 303 Ca -0.13 -0.16 -0.29 0.00 -0.26 0.00 0.00 58.87 58.03 1mur n SER 303 Cb 0.63 0.29 0.05 0.00 -0.26 0.00 0.00 64.21 64.91 1mur n SER 303 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1mur s GLU 304 N -3.06 2.78 0.42 4.33 0.41 -1.26 -4.88 118.70 117.45 1mur s GLU 304 Ca 0.09 0.30 -0.25 0.00 -0.41 0.00 0.00 54.97 54.70 1mur s GLU 304 Cb 0.16 -2.08 -0.08 0.00 -1.78 0.00 0.00 34.13 30.35 1mur s GLU 304 CO 0.72 -1.01 1.26 -2.14 -0.49 0.00 0.00 175.26 173.60 1mur s PRO 305 N -5.29 3.89 0.00 0.39 0.01 -1.26 -4.73 135.00 128.01 1mur s PRO 305 Ca 0.57 2.06 0.00 0.00 0.01 0.00 0.00 61.00 63.64 1mur s PRO 305 Cb -0.11 -2.66 0.00 0.00 0.01 0.00 0.00 34.50 31.74 1mur s PRO 305 CO 0.50 -0.53 0.00 1.33 0.01 0.00 0.00 177.00 178.31 1mur n VAL 306 N -0.05 0.00 -0.08 3.83 0.24 -1.26 -4.13 118.33 116.87 1mur n VAL 306 Ca 0.05 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.28 1mur n VAL 306 Cb 0.45 1.71 -0.00 0.00 -1.47 0.00 0.00 33.84 34.52 1mur n VAL 306 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1mur h GLU 307 N 0.00 -0.18 -6.62 7.34 4.81 -1.93 -3.32 114.58 114.68 1mur h GLU 307 Ca 0.00 0.01 -0.51 0.00 -0.13 0.00 0.00 59.36 58.73 1mur h GLU 307 Cb 0.39 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1mur h GLU 307 CO 0.00 -0.12 -0.03 -1.54 -0.73 0.00 0.00 179.01 176.59 1mur s SER 308 N -5.09 6.53 0.28 1.04 1.04 -1.26 -4.94 113.70 111.30 1mur s SER 308 Ca -0.15 0.94 0.03 0.00 0.48 0.00 0.00 55.95 57.25 1mur s SER 308 Cb 0.13 -2.24 0.66 0.00 0.10 0.00 0.00 66.02 64.68 1mur s SER 308 CO 0.69 -0.24 1.74 0.25 0.98 0.00 0.00 173.24 176.66 1mur h LEU 309 N 1.74 0.54 -0.94 2.42 5.85 -1.84 0.14 115.31 123.22 1mur h LEU 309 Ca -0.47 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.26 1mur h LEU 309 Cb 1.18 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1mur h LEU 309 CO 0.66 0.16 -0.32 0.00 -0.34 0.00 0.00 178.44 178.59 1mur h ALA 310 N 1.64 1.10 0.06 1.25 0.00 -1.92 -1.46 119.26 119.93 1mur h ALA 310 Ca 0.53 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1mur h ALA 310 Cb 0.88 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1mur h ALA 310 CO -0.43 0.57 -0.03 1.96 0.00 0.00 0.00 179.25 181.32 1mur h GLN 311 N 0.33 -0.08 -0.09 0.00 4.20 -1.04 -0.97 115.11 117.47 1mur h GLN 311 Ca 0.04 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1mur h GLN 311 Cb 0.73 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 1mur h GLN 311 CO 0.06 0.08 -0.34 0.00 -0.67 0.00 0.00 178.83 177.96 1mur h ALA 312 N 0.71 -0.44 -0.11 3.87 0.00 -1.27 0.12 119.26 122.14 1mur h ALA 312 Ca -0.01 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1mur h ALA 312 Cb 0.19 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1mur h ALA 312 CO 0.01 -0.83 0.27 -0.07 0.00 0.00 0.00 179.25 178.63 1mur h LEU 313 N -0.44 0.00 -0.08 0.00 3.38 -1.12 0.26 115.31 117.31 1mur h LEU 313 Ca 0.08 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1mur h LEU 313 Cb 0.57 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1mur h LEU 313 CO -0.34 0.00 -0.67 -0.09 0.09 0.00 0.00 178.44 177.43 1mur h ARG 314 N 0.00 0.59 -0.11 1.13 9.65 0.64 -2.01 114.38 124.29 1mur h ARG 314 Ca 0.05 -0.53 0.03 0.00 -1.10 0.00 0.00 59.98 58.42 1mur h ARG 314 Cb 0.60 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.28 1mur h ARG 314 CO -0.00 1.15 -0.05 0.28 2.80 0.00 0.00 179.97 184.15 1mur h VAL 315 N 0.22 0.83 -0.89 0.20 2.07 -0.16 0.40 116.25 118.91 1mur h VAL 315 Ca -0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1mur h VAL 315 Cb 1.33 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1mur h VAL 315 CO 0.14 0.00 0.58 0.40 0.02 0.00 0.00 177.57 178.71 1mur h ILE 316 N -0.05 1.13 0.21 4.57 1.08 -1.14 -1.75 117.51 121.58 1mur h ILE 316 Ca 0.06 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1mur h ILE 316 Cb 0.13 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 33.83 1mur h ILE 316 CO -0.14 0.20 -0.10 -0.78 -0.69 0.00 0.00 178.15 176.64 1mur h ASP 317 N 1.09 -0.24 -0.61 1.72 3.58 -0.35 -1.74 116.42 119.88 1mur h ASP 317 Ca 0.36 -0.15 0.10 0.00 0.42 0.00 0.00 57.03 57.76 1mur h ASP 317 Cb 0.06 0.06 -0.11 0.00 1.72 0.00 0.00 39.33 41.06 1mur h ASP 317 CO -0.11 0.01 -0.39 0.40 -2.88 0.00 0.00 179.24 176.26 1mur h ILE 318 N -0.49 0.11 -0.61 2.25 2.04 0.09 0.26 117.51 121.16 1mur h ILE 318 Ca -0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.94 1mur h ILE 318 Cb 0.37 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1mur h ILE 318 CO 0.05 0.00 0.41 0.22 0.00 0.00 0.00 178.15 178.83 1mur h TYR 319 N -0.19 0.39 0.00 1.37 3.20 -1.19 0.37 116.97 120.92 1mur h TYR 319 Ca 0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1mur h TYR 319 Cb 0.56 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1mur h TYR 319 CO -0.69 0.18 0.00 2.41 -1.64 0.00 0.00 178.16 178.42 1mur n THR 320 N -4.46 1.07 1.30 1.81 -1.04 0.90 -0.97 114.28 112.89 1mur n THR 320 Ca 0.10 0.27 0.13 0.00 -2.04 0.00 0.00 64.05 62.51 1mur n THR 320 Cb 0.42 -1.12 0.38 0.00 -1.82 0.00 0.00 70.33 68.18 1mur n THR 320 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1mur n HIS 321 N -1.38 0.00 -0.31 -1.42 8.25 0.13 -4.20 115.22 116.30 1mur n HIS 321 Ca 0.03 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.54 1mur n HIS 321 Cb 0.08 -0.06 0.20 0.00 1.12 0.00 0.00 29.99 31.33 1mur n HIS 321 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1mur h ARG 322 N 2.00 0.76 -0.05 -0.41 2.43 -1.18 -0.29 114.38 117.63 1mur h ARG 322 Ca 0.00 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1mur h ARG 322 Cb 0.56 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1mur h ARG 322 CO 0.00 0.50 0.40 -1.49 -1.51 0.00 0.00 179.97 177.88 1mur h TRP 323 N 0.78 0.00 -0.90 2.20 6.55 -1.81 0.23 115.95 123.01 1mur h TRP 323 Ca 0.44 0.00 0.16 0.00 0.95 0.00 0.00 58.89 60.43 1mur h TRP 323 Cb 0.47 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 28.70 1mur h TRP 323 CO -0.06 0.00 0.58 -0.09 -1.05 0.00 0.00 178.44 177.82 1mur h ARG 324 N 0.00 0.64 -0.36 0.49 9.65 -1.34 -0.03 114.38 123.43 1mur h ARG 324 Ca 0.03 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 1mur h ARG 324 Cb 0.83 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 1mur h ARG 324 CO -0.00 0.42 -0.07 0.97 2.80 0.00 0.00 179.97 184.09 1mur h ILE 325 N 0.66 1.23 0.00 1.20 2.10 -0.74 -1.01 117.51 120.95 1mur h ILE 325 Ca 0.46 -1.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.38 1mur h ILE 325 Cb 0.80 1.04 -0.00 0.00 -1.09 0.00 0.00 36.82 37.56 1mur h ILE 325 CO -0.21 0.34 -0.11 -0.33 -1.08 0.00 0.00 178.15 176.75 1mur h GLU 326 N 0.56 0.00 0.00 2.19 4.39 -1.16 -0.54 114.58 120.02 1mur h GLU 326 Ca 0.11 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 1mur h GLU 326 Cb 0.47 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1mur h GLU 326 CO 0.03 0.11 -0.60 0.93 -1.16 0.00 0.00 179.01 178.32 1mur h GLU 327 N 0.00 0.00 -0.42 2.33 5.08 -0.71 -2.42 114.58 118.45 1mur h GLU 327 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1mur h GLU 327 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1mur h GLU 327 CO 0.01 0.60 -0.01 0.35 -1.00 0.00 0.00 179.01 178.96 1mur h PHE 328 N 0.00 0.81 -0.40 4.33 3.57 -0.61 -1.35 116.94 123.29 1mur h PHE 328 Ca -0.01 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.38 1mur h PHE 328 Cb 1.20 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 1mur h PHE 328 CO 0.00 0.81 0.19 0.45 -2.23 0.00 0.00 178.31 177.54 1mur h HIS 329 N 0.57 0.36 -0.58 0.41 3.86 -0.90 0.56 115.15 119.43 1mur h HIS 329 Ca 0.12 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 1mur h HIS 329 Cb 0.50 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 1mur h HIS 329 CO 0.04 0.18 0.24 -0.22 0.86 0.00 0.00 177.93 179.04 1mur h LYS 330 N 0.40 0.86 -0.24 2.45 3.64 -1.34 -1.26 116.57 121.07 1mur h LYS 330 Ca 0.17 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1mur h LYS 330 Cb 0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1mur h LYS 330 CO -0.12 0.73 0.04 0.00 -2.27 0.00 0.00 179.45 177.83 1mur h ALA 331 N 1.09 1.64 -0.04 5.00 0.00 -0.74 0.93 119.26 127.14 1mur h ALA 331 Ca 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1mur h ALA 331 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1mur h ALA 331 CO -0.02 0.28 -0.15 2.35 0.00 0.00 0.00 179.25 181.71 1mur h TRP 332 N 0.34 0.22 0.00 0.00 7.01 -0.42 0.40 115.95 123.50 1mur h TRP 332 Ca 0.08 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1mur h TRP 332 Cb 0.16 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 1mur h TRP 332 CO 0.00 0.79 0.00 1.63 -2.79 0.00 0.00 178.44 178.07 1mur n LYS 333 N -4.61 0.00 -0.27 2.65 5.02 -0.52 -1.49 118.16 118.94 1mur n LYS 333 Ca -0.09 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1mur n LYS 333 Cb 0.41 -0.19 0.07 0.00 -0.02 0.00 0.00 35.03 35.29 1mur n LYS 333 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1mur h THR 334 N 0.00 0.17 0.19 -0.18 2.02 -1.11 0.27 112.91 114.26 1mur h THR 334 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1mur h THR 334 Cb 0.00 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1mur h THR 334 CO 0.00 0.00 -0.09 1.23 0.37 0.00 0.00 175.52 177.03 1mur h GLY 335 N -0.04 -0.27 1.33 2.16 0.00 -0.92 -3.36 103.07 101.96 1mur h GLY 335 Ca 0.34 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1mur h GLY 335 CO -0.81 -0.10 -0.58 0.00 0.00 0.00 0.00 176.54 175.06 1mur h ALA 336 N -0.37 0.66 -0.34 3.60 0.00 -0.15 -3.29 119.26 119.38 1mur h ALA 336 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1mur h ALA 336 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1mur h ALA 336 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1mur n GLY 337 N 1.25 0.97 0.13 0.00 0.00 0.93 -4.14 105.19 104.34 1mur n GLY 337 Ca 0.03 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 1mur n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mur h ALA 338 N 0.00 0.29 -0.10 4.61 0.00 -1.23 -1.68 119.26 121.15 1mur h ALA 338 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1mur h ALA 338 Cb 0.63 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1mur h ALA 338 CO 0.00 -0.36 0.00 0.39 0.00 0.00 0.00 179.25 179.28 1mur n GLU 339 N -5.09 1.35 0.02 0.00 1.02 -1.26 -3.40 120.64 113.28 1mur n GLU 339 Ca -0.00 -0.53 0.11 0.00 -0.02 0.00 0.00 57.16 56.72 1mur n GLU 339 Cb 0.12 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 1mur n GLU 339 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1mur n ARG 340 N -0.20 0.31 -2.04 3.49 1.74 -0.64 -4.93 116.66 114.39 1mur n ARG 340 Ca 0.12 -0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.77 1mur n ARG 340 Cb 0.17 -1.58 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 1mur n ARG 340 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1mur s GLN 341 N -3.22 4.24 -0.24 5.56 -1.52 -1.18 -4.96 119.66 118.34 1mur s GLN 341 Ca 0.02 2.27 0.12 0.00 -1.95 0.00 0.00 55.36 55.83 1mur s GLN 341 Cb 0.14 -2.99 0.45 0.00 -0.22 0.00 0.00 33.01 30.39 1mur s GLN 341 CO 0.82 -0.31 1.19 0.54 -0.25 0.00 0.00 175.29 177.28 1mur n ARG 342 N 0.61 2.41 -1.45 2.91 5.12 -1.26 -5.06 116.66 119.94 1mur n ARG 342 Ca 0.01 -3.62 -0.37 0.00 -1.93 0.00 0.00 57.85 51.94 1mur n ARG 342 Cb 0.42 -1.79 0.06 0.00 -1.16 0.00 0.00 32.46 29.99 1mur n ARG 342 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1mur n MET 343 N -0.73 0.59 -0.12 5.56 2.81 -1.26 -4.91 117.12 119.07 1mur n MET 343 Ca 0.28 0.25 0.12 0.00 -1.81 0.00 0.00 57.70 56.54 1mur n MET 343 Cb 0.87 -2.04 0.23 0.00 -0.71 0.00 0.00 33.22 31.57 1mur n MET 343 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1mur n GLU 344 N -1.06 2.31 -3.82 0.03 1.02 -1.26 -4.77 120.64 113.09 1mur n GLU 344 Ca 0.13 -1.96 -0.13 0.00 -0.02 0.00 0.00 57.16 55.17 1mur n GLU 344 Cb 0.49 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 30.29 1mur n GLU 344 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1mur s LYS 345 N -1.68 0.10 0.16 3.49 1.02 -1.26 -4.55 119.74 117.03 1mur s LYS 345 Ca 0.35 0.17 -0.30 0.00 0.02 0.00 0.00 55.97 56.22 1mur s LYS 345 Cb 0.21 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 1mur s LYS 345 CO 0.31 -0.04 1.54 -1.35 -0.92 0.00 0.00 175.35 174.88 1mur h PRO 346 N 6.24 -0.04 -0.72 -1.68 0.11 -1.89 -0.29 132.00 133.72 1mur h PRO 346 Ca -0.28 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.96 1mur h PRO 346 Cb 1.19 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 1mur h PRO 346 CO 0.45 -0.03 0.26 -0.44 -0.21 0.00 0.00 178.00 178.03 1mur h ASP 347 N -0.04 0.22 0.18 -2.05 3.32 -1.97 0.29 116.42 116.36 1mur h ASP 347 Ca 0.17 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1mur h ASP 347 Cb 0.45 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1mur h ASP 347 CO -0.91 0.09 -0.18 0.78 -1.72 0.00 0.00 179.24 177.30 1mur h ASN 348 N 0.41 -0.49 -0.30 6.45 2.35 -1.25 0.38 115.58 123.12 1mur h ASN 348 Ca 0.39 0.05 0.06 0.00 -0.55 0.00 0.00 56.30 56.25 1mur h ASN 348 Cb 0.59 0.17 -0.05 0.00 0.05 0.00 0.00 38.32 39.08 1mur h ASN 348 CO -0.40 -0.28 -0.03 0.25 -1.65 0.00 0.00 177.43 175.33 1mur h LEU 349 N -0.40 -0.18 -0.10 1.61 5.85 -0.07 -0.05 115.31 121.97 1mur h LEU 349 Ca 0.00 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1mur h LEU 349 Cb 0.38 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1mur h LEU 349 CO -0.05 -0.05 -0.06 -0.08 -0.34 0.00 0.00 178.44 177.86 1mur h GLU 350 N 0.05 -0.05 -0.41 1.25 4.81 -0.09 0.34 114.58 120.49 1mur h GLU 350 Ca 0.14 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 1mur h GLU 350 Cb 0.20 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 1mur h GLU 350 CO -0.27 -0.04 -0.05 0.00 -0.73 0.00 0.00 179.01 177.93 1mur h ARG 351 N -0.05 0.05 0.08 1.92 3.08 0.84 0.19 114.38 120.49 1mur h ARG 351 Ca 0.06 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1mur h ARG 351 Cb 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1mur h ARG 351 CO -0.13 0.04 -0.04 1.98 -1.07 0.00 0.00 179.97 180.74 1mur h MET 352 N 0.06 -0.11 0.00 0.04 4.05 -0.59 -2.79 114.93 115.59 1mur h MET 352 Ca 0.20 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.60 1mur h MET 352 Cb 0.30 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1mur h MET 352 CO -0.37 0.01 -0.15 0.28 0.23 0.00 0.00 176.91 176.91 1mur h VAL 353 N -0.20 0.66 -0.54 -5.77 2.07 0.05 -1.94 116.25 110.58 1mur h VAL 353 Ca -0.01 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 66.77 1mur h VAL 353 Cb 0.17 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1mur h VAL 353 CO 0.02 0.14 -0.11 0.28 0.02 0.00 0.00 177.57 177.92 1mur h SER 354 N 0.00 1.02 -0.29 0.57 0.02 -0.36 -2.19 113.55 112.31 1mur h SER 354 Ca -0.00 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1mur h SER 354 Cb 0.38 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1mur h SER 354 CO 0.02 1.13 0.17 0.40 -1.14 0.00 0.00 176.83 177.41 1mur h ILE 355 N 0.90 1.12 -0.02 3.27 2.04 -1.19 -1.71 117.51 121.93 1mur h ILE 355 Ca 0.14 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1mur h ILE 355 Cb 0.68 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1mur h ILE 355 CO 0.05 0.12 0.04 -0.07 0.00 0.00 0.00 178.15 178.28 1mur h LEU 356 N 0.36 0.00 -1.18 1.44 3.38 -1.16 0.18 115.31 118.34 1mur h LEU 356 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1mur h LEU 356 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1mur h LEU 356 CO -0.02 0.00 0.51 0.77 0.09 0.00 0.00 178.44 179.79 1mur h SER 357 N 0.00 0.93 0.25 -0.43 4.64 -0.67 0.11 113.55 118.39 1mur h SER 357 Ca 0.01 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1mur h SER 357 Cb 0.08 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1mur h SER 357 CO -0.00 0.69 -0.12 -0.26 -0.87 0.00 0.00 176.83 176.27 1mur h PHE 358 N 1.09 -0.32 -0.98 4.77 -1.00 -0.68 -2.48 116.94 117.34 1mur h PHE 358 Ca 0.29 -0.01 0.20 0.00 2.81 0.00 0.00 57.97 61.26 1mur h PHE 358 Cb -0.09 0.10 -0.09 0.00 3.61 0.00 0.00 35.95 39.48 1mur h PHE 358 CO 0.00 -0.07 0.62 0.28 -1.61 0.00 0.00 178.31 177.53 1mur h VAL 359 N -0.53 0.68 0.09 -0.55 2.07 -1.21 0.20 116.25 117.01 1mur h VAL 359 Ca -0.03 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1mur h VAL 359 Cb 0.39 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1mur h VAL 359 CO 0.06 0.12 -0.26 0.00 0.02 0.00 0.00 177.57 177.50 1mur h ALA 360 N 1.63 -0.43 -0.66 1.67 0.00 -0.36 -1.18 119.26 119.93 1mur h ALA 360 Ca 0.55 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.52 1mur h ALA 360 Cb 1.04 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 1mur h ALA 360 CO -0.31 -0.79 0.30 0.28 0.00 0.00 0.00 179.25 178.72 1mur h VAL 361 N -0.46 0.82 -0.49 0.00 2.07 -0.59 -1.25 116.25 116.36 1mur h VAL 361 Ca 0.04 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1mur h VAL 361 Cb 0.50 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1mur h VAL 361 CO -0.17 0.09 0.18 -0.09 0.02 0.00 0.00 177.57 177.61 1mur h ARG 362 N 0.52 0.35 -0.87 1.57 2.43 -0.90 0.24 114.38 117.73 1mur h ARG 362 Ca 0.33 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.61 1mur h ARG 362 Cb 0.37 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.75 1mur h ARG 362 CO -0.28 0.23 0.48 -0.07 -1.51 0.00 0.00 179.97 178.82 1mur h LEU 363 N 0.36 0.62 -0.33 3.80 3.38 -0.01 0.20 115.31 123.33 1mur h LEU 363 Ca 0.23 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.17 1mur h LEU 363 Cb 0.23 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1mur h LEU 363 CO -0.23 0.29 -0.19 -0.07 0.09 0.00 0.00 178.44 178.33 1mur h LEU 364 N 0.71 0.74 -1.58 1.67 3.38 -0.69 -3.17 115.31 116.36 1mur h LEU 364 Ca 0.46 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1mur h LEU 364 Cb 0.58 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1mur h LEU 364 CO -0.33 1.00 -0.22 1.56 0.09 0.00 0.00 178.44 180.55 1mur h GLN 365 N 0.48 0.00 -0.53 1.13 4.20 0.95 -2.51 115.11 118.82 1mur h GLN 365 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1mur h GLN 365 Cb 0.74 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1mur h GLN 365 CO 0.05 0.22 0.35 -0.07 -0.67 0.00 0.00 178.83 178.71 1mur h LEU 366 N 0.00 0.62 -0.30 1.46 3.38 -0.65 -0.03 115.31 119.79 1mur h LEU 366 Ca -0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1mur h LEU 366 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1mur h LEU 366 CO 0.03 0.45 -0.04 -0.09 0.09 0.00 0.00 178.44 178.88 1mur h ARG 367 N 0.72 0.55 -0.94 1.13 2.43 -1.59 -2.24 114.38 114.44 1mur h ARG 367 Ca 0.19 -0.20 0.25 0.00 -0.81 0.00 0.00 59.98 59.42 1mur h ARG 367 Cb -0.07 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.38 1mur h ARG 367 CO -0.04 0.73 0.65 0.93 -1.51 0.00 0.00 179.97 180.73 1mur h GLU 368 N 0.33 0.17 0.00 0.20 5.08 -0.96 0.30 114.58 119.70 1mur h GLU 368 Ca 0.08 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1mur h GLU 368 Cb 0.51 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1mur h GLU 368 CO 0.02 0.11 -0.27 0.66 -1.00 0.00 0.00 179.01 178.54 1mur h SER 369 N 0.18 0.00 -0.30 1.42 4.64 -0.38 -0.72 113.55 118.39 1mur h SER 369 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1mur h SER 369 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1mur h SER 369 CO -0.10 0.27 0.00 0.49 -0.87 0.00 0.00 176.83 176.62 1mur n PHE 370 N -4.01 0.39 -2.92 4.77 3.01 0.10 -4.86 117.46 113.93 1mur n PHE 370 Ca -0.02 -0.19 -0.41 0.00 1.01 0.00 0.00 57.45 57.84 1mur n PHE 370 Cb 0.34 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.77 1mur n PHE 370 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1mur s THR 371 N -1.61 4.94 -0.07 4.37 2.01 -0.28 -4.68 115.64 120.32 1mur s THR 371 Ca 0.33 1.62 -0.03 0.00 0.31 0.00 0.00 61.69 63.92 1mur s THR 371 Cb 0.18 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1mur s THR 371 CO 0.25 0.13 -0.05 -0.65 -0.69 0.00 0.00 174.62 173.62 1mur h PRO 372 N 7.04 0.00 -2.58 4.92 0.11 -1.89 -3.50 132.00 136.10 1mur h PRO 372 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1mur h PRO 372 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1mur h PRO 372 CO 0.79 0.00 0.23 -0.35 -0.21 0.00 0.00 178.00 178.46 1mur n PRO 373 N -3.51 0.00 0.00 1.05 -0.05 -1.26 -5.20 135.00 126.02 1mur n PRO 373 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.43 1mur n PRO 373 Cb 0.08 -1.30 0.00 0.00 -0.05 0.00 0.00 33.50 32.23 1mur n PRO 373 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 1mur n GLN 391 N 2.32 0.00 -3.57 0.54 6.02 -1.26 -5.09 117.38 116.33 1mur n GLN 391 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 1mur n GLN 391 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1mur n GLN 391 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1mur s SER 392 N -0.07 6.47 0.44 1.08 1.04 -1.26 -2.30 113.70 119.10 1mur s SER 392 Ca 0.00 0.61 0.10 0.00 0.48 0.00 0.00 55.95 57.15 1mur s SER 392 Cb 0.00 -2.10 0.96 0.00 0.10 0.00 0.00 66.02 64.98 1mur s SER 392 CO 0.00 -0.04 2.04 0.00 0.98 0.00 0.00 173.24 176.22 1mur h ALA 393 N 2.35 1.73 0.00 5.32 0.00 0.74 -1.43 119.26 127.98 1mur h ALA 393 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1mur h ALA 393 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1mur h ALA 393 CO 0.70 0.21 0.02 -0.85 0.00 0.00 0.00 179.25 179.33 1mur n GLU 394 N -4.43 0.00 0.22 0.00 -0.00 -1.26 -1.07 120.64 114.10 1mur n GLU 394 Ca 0.00 0.48 0.11 0.00 -0.00 0.00 0.00 57.16 57.75 1mur n GLU 394 Cb 0.13 -1.52 0.35 0.00 -0.00 0.00 0.00 31.44 30.39 1mur n GLU 394 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1mur h THR 395 N 0.00 0.29 0.00 3.84 1.35 -1.65 -3.36 112.91 113.37 1mur h THR 395 Ca 0.00 -1.12 -0.17 0.00 -0.55 0.00 0.00 66.41 64.57 1mur h THR 395 Cb 0.05 1.89 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 1mur h THR 395 CO 0.00 0.14 -1.65 0.52 -0.25 0.00 0.00 175.52 174.28 1mur n VAL 396 N -3.19 0.65 -3.98 6.82 0.31 -0.23 -5.09 118.33 113.62 1mur n VAL 396 Ca 0.02 -0.25 -0.21 0.00 -0.01 0.00 0.00 64.34 63.89 1mur n VAL 396 Cb 0.48 -0.93 -0.03 0.00 -0.91 0.00 0.00 33.84 32.45 1mur n VAL 396 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1mur s LEU 397 N -5.71 4.03 0.59 7.52 1.43 -0.77 -5.10 118.68 120.68 1mur s LEU 397 Ca -0.15 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 1mur s LEU 397 Cb 0.04 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 1mur s LEU 397 CO 0.26 -0.11 1.02 0.42 0.23 0.00 0.00 176.35 178.17 1mur s THR 398 N -2.08 4.57 0.22 5.49 -4.23 -1.26 -4.60 115.64 113.74 1mur s THR 398 Ca 0.35 0.96 -0.09 0.00 -1.18 0.00 0.00 61.69 61.73 1mur s THR 398 Cb -0.08 -3.77 0.17 0.00 1.34 0.00 0.00 72.50 70.16 1mur s THR 398 CO 0.27 -0.97 1.71 1.55 -0.54 0.00 0.00 174.62 176.65 1mur h PRO 399 N 0.04 0.30 -0.44 3.99 0.13 -1.98 0.58 132.00 134.63 1mur h PRO 399 Ca -0.45 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1mur h PRO 399 Cb 1.19 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1mur h PRO 399 CO 0.61 0.20 0.24 -0.44 -0.23 0.00 0.00 178.00 178.38 1mur h ASP 400 N 0.31 0.54 -0.37 1.44 3.32 -1.98 0.35 116.42 120.03 1mur h ASP 400 Ca 0.33 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.34 1mur h ASP 400 Cb 0.48 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1mur h ASP 400 CO -0.39 0.47 0.12 -0.33 -1.72 0.00 0.00 179.24 177.39 1mur h GLU 401 N 0.57 0.26 -0.18 3.56 5.08 -1.63 0.42 114.58 122.66 1mur h GLU 401 Ca 0.15 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1mur h GLU 401 Cb 0.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1mur h GLU 401 CO -0.03 0.17 0.08 0.00 -1.00 0.00 0.00 179.01 178.24 1mur h GLN 403 N 0.18 -0.27 -0.42 0.00 4.15 0.45 0.95 115.11 120.14 1mur h GLN 403 Ca 0.08 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1mur h GLN 403 Cb 0.03 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1mur h GLN 403 CO -0.06 -0.05 0.21 1.25 -1.93 0.00 0.00 178.83 178.25 1mur h LEU 404 N -0.45 0.54 -0.91 -2.39 5.85 -0.13 -0.39 115.31 117.44 1mur h LEU 404 Ca -0.03 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1mur h LEU 404 Cb 0.34 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1mur h LEU 404 CO 0.05 0.51 0.59 0.25 -0.34 0.00 0.00 178.44 179.49 1mur h LEU 405 N 0.54 0.98 -0.91 2.25 5.85 -0.63 0.67 115.31 124.07 1mur h LEU 405 Ca 0.15 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1mur h LEU 405 Cb 0.10 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1mur h LEU 405 CO -0.02 0.68 0.30 1.23 -0.34 0.00 0.00 178.44 180.29 1mur h GLY 406 N 1.15 1.17 1.44 3.75 0.00 -0.09 -1.13 103.07 109.36 1mur h GLY 406 Ca 0.36 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1mur h GLY 406 CO -0.12 0.58 0.11 -1.82 0.00 0.00 0.00 176.54 175.30 1mur h TYR 407 N 1.07 0.72 -0.05 5.60 3.20 0.43 -2.84 116.97 125.10 1mur h TYR 407 Ca 0.25 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 1mur h TYR 407 Cb 0.19 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.25 1mur h TYR 407 CO 0.02 0.62 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.68 1mur h LEU 408 N 0.69 0.45 0.00 2.82 3.38 -0.42 -3.22 115.31 118.99 1mur h LEU 408 Ca 0.15 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1mur h LEU 408 Cb 0.26 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1mur h LEU 408 CO -0.00 1.06 0.00 -0.67 0.09 0.00 0.00 178.44 178.92 1mur n ASP 409 N -4.36 0.00 -4.59 -0.43 2.03 -0.48 -4.84 116.55 103.89 1mur n ASP 409 Ca -0.09 -0.46 -0.64 0.00 0.52 0.00 0.00 54.79 54.12 1mur n ASP 409 Cb 0.55 -0.10 -0.10 0.00 -0.72 0.00 0.00 41.12 40.75 1mur n ASP 409 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1mur n LYS 410 N -1.10 0.15 -0.76 -0.67 4.81 -1.08 0.68 118.16 120.19 1mur n LYS 410 Ca 0.14 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1mur n LYS 410 Cb 0.11 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.56 1mur n LYS 410 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mur n GLY 411 N 5.15 0.70 0.00 3.14 0.00 -1.26 -4.91 105.19 108.01 1mur n GLY 411 Ca 0.38 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.48 1mur n GLY 411 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mur n LYS 412 N -2.52 1.15 -1.68 1.61 5.02 0.21 -4.97 118.16 116.99 1mur n LYS 412 Ca 0.00 -0.06 -0.45 0.00 -2.02 0.00 0.00 58.31 55.77 1mur n LYS 412 Cb 0.00 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1mur n LYS 412 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1mur n ARG 413 N -1.68 2.47 -3.11 1.97 0.63 -1.25 -4.98 116.66 110.71 1mur n ARG 413 Ca 0.01 0.90 -0.35 0.00 -0.92 0.00 0.00 57.85 57.49 1mur n ARG 413 Cb 0.33 -2.78 -0.06 0.00 0.45 0.00 0.00 32.46 30.40 1mur n ARG 413 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1mur s LYS 414 N 3.70 4.15 0.57 -0.14 -0.14 -1.26 -4.94 119.74 121.68 1mur s LYS 414 Ca 0.89 0.79 0.31 0.00 -1.36 0.00 0.00 55.97 56.60 1mur s LYS 414 Cb -0.58 -2.68 1.43 0.00 -1.68 0.00 0.00 37.83 34.31 1mur s LYS 414 CO 0.45 0.29 1.81 -0.09 -0.76 0.00 0.00 175.35 177.05 1mur h ARG 415 N 2.91 0.00 0.00 1.68 9.65 -2.03 0.55 114.38 127.14 1mur h ARG 415 Ca -0.48 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.38 1mur h ARG 415 Cb 1.19 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1mur h ARG 415 CO 0.65 0.00 -0.10 -0.22 2.80 0.00 0.00 179.97 183.10 1mur h LYS 416 N 0.00 0.00 -5.37 0.20 3.64 -2.02 -3.43 116.57 109.59 1mur h LYS 416 Ca 0.36 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 59.09 1mur h LYS 416 Cb 1.72 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 33.39 1mur h LYS 416 CO -0.00 0.10 0.08 -1.83 -2.27 0.00 0.00 179.45 175.53 1mur s GLU 417 N -4.00 3.43 -0.04 1.90 -1.05 0.19 -5.03 118.70 114.10 1mur s GLU 417 Ca -0.02 -0.25 -0.34 0.00 -0.15 0.00 0.00 54.97 54.22 1mur s GLU 417 Cb 0.12 -3.89 -0.12 0.00 -0.44 0.00 0.00 34.13 29.80 1mur s GLU 417 CO 0.56 -0.87 1.86 1.17 0.95 0.00 0.00 175.26 178.94 1mur n LYS 418 N 6.09 2.29 -1.64 -4.83 4.81 -1.26 -4.82 118.16 118.79 1mur n LYS 418 Ca -0.02 0.84 -0.39 0.00 -0.87 0.00 0.00 58.31 57.86 1mur n LYS 418 Cb 0.48 -2.69 0.03 0.00 0.02 0.00 0.00 35.03 32.87 1mur n LYS 418 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mur n ALA 419 N 6.41 0.50 -0.49 3.14 0.00 -1.26 -1.21 120.51 127.60 1mur n ALA 419 Ca 0.22 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1mur n ALA 419 Cb 0.31 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1mur n ALA 419 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mur n GLY 420 N 1.13 0.37 3.80 0.00 0.00 -1.26 -4.96 105.19 104.26 1mur n GLY 420 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1mur n GLY 420 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mur s SER 421 N -2.31 3.69 0.21 1.61 1.04 -0.35 0.12 113.70 117.71 1mur s SER 421 Ca 0.00 0.97 -0.10 0.00 0.48 0.00 0.00 55.95 57.31 1mur s SER 421 Cb 0.00 -1.55 0.15 0.00 0.10 0.00 0.00 66.02 64.72 1mur s SER 421 CO 0.00 -2.44 1.83 0.25 0.98 0.00 0.00 173.24 173.86 1mur h LEU 422 N -1.42 0.94 -0.23 2.42 5.85 -1.62 -1.10 115.31 120.15 1mur h LEU 422 Ca -0.50 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1mur h LEU 422 Cb 1.33 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1mur h LEU 422 CO 0.62 0.76 0.15 -0.61 -0.34 0.00 0.00 178.44 179.02 1mur h GLN 423 N 1.04 0.30 -0.46 1.25 5.75 -1.88 -1.52 115.11 119.59 1mur h GLN 423 Ca 0.27 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.82 1mur h GLN 423 Cb 0.03 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.45 1mur h GLN 423 CO -0.04 0.21 0.08 2.35 -2.65 0.00 0.00 178.83 178.78 1mur h TRP 424 N 0.30 0.13 0.21 3.99 7.01 -1.59 -2.45 115.95 123.56 1mur h TRP 424 Ca 0.08 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 1mur h TRP 424 Cb -0.02 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 1mur h TRP 424 CO -0.06 -0.01 -0.14 0.00 -2.79 0.00 0.00 178.44 175.45 1mur h ALA 425 N 1.36 -0.32 -0.57 2.65 0.00 -0.65 0.12 119.26 121.85 1mur h ALA 425 Ca 0.23 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1mur h ALA 425 Cb 0.30 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1mur h ALA 425 CO -0.31 -0.69 -0.33 0.98 0.00 0.00 0.00 179.25 178.90 1mur n TYR 426 N -5.26 -0.25 -0.21 0.00 9.36 -0.62 0.34 117.16 120.53 1mur n TYR 426 Ca -0.09 0.71 0.01 0.00 3.32 0.00 0.00 57.90 61.85 1mur n TYR 426 Cb 0.17 -0.53 0.12 0.00 -0.63 0.00 0.00 39.34 38.47 1mur n TYR 426 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 1mur h MET 427 N 0.00 0.31 -0.44 2.98 2.86 -1.22 0.54 114.93 119.96 1mur h MET 427 Ca 0.09 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1mur h MET 427 Cb 0.23 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1mur h MET 427 CO -0.53 0.20 0.23 0.00 1.06 0.00 0.00 176.91 177.88 1mur h ALA 428 N 1.48 0.57 -0.63 6.32 0.00 0.20 1.04 119.26 128.22 1mur h ALA 428 Ca 0.33 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1mur h ALA 428 Cb 0.47 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1mur h ALA 428 CO -0.38 0.10 0.22 0.82 0.00 0.00 0.00 179.25 180.00 1mur h ILE 429 N 0.57 1.24 -0.78 0.00 2.04 0.98 -0.06 117.51 121.50 1mur h ILE 429 Ca 0.15 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1mur h ILE 429 Cb 0.07 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1mur h ILE 429 CO -0.02 0.31 0.50 0.00 0.00 0.00 0.00 178.15 178.94 1mur h ALA 430 N 1.08 1.02 -0.30 1.87 0.00 0.11 -0.98 119.26 122.06 1mur h ALA 430 Ca 0.21 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1mur h ALA 430 Cb 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1mur h ALA 430 CO -0.01 0.32 -0.15 0.00 0.00 0.00 0.00 179.25 179.41 1mur h ARG 431 N 0.98 0.53 -0.06 0.00 3.08 0.16 0.78 114.38 119.85 1mur h ARG 431 Ca 0.31 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1mur h ARG 431 Cb -0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1mur h ARG 431 CO -0.10 0.67 0.01 -0.07 -1.07 0.00 0.00 179.97 179.41 1mur h LEU 432 N 0.49 0.07 -1.31 3.04 3.38 0.26 -1.61 115.31 119.63 1mur h LEU 432 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1mur h LEU 432 Cb 0.54 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1mur h LEU 432 CO 0.03 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1mur n GLY 433 N -1.45 0.54 0.00 0.83 0.00 -0.67 -4.54 105.19 99.89 1mur n GLY 433 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1mur n GLY 433 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mur n GLY 434 N 1.19 0.70 3.71 -0.02 0.00 -0.60 -4.72 105.19 105.45 1mur n GLY 434 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1mur n GLY 434 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1mur n PHE 435 N -1.90 2.74 -1.99 1.61 7.35 0.20 -4.93 117.46 120.55 1mur n PHE 435 Ca 0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.74 1mur n PHE 435 Cb 0.00 -2.69 0.08 0.00 0.35 0.00 0.00 39.48 37.22 1mur n PHE 435 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1mur n MET 436 N 4.26 0.56 -3.65 -4.13 2.81 -1.26 -4.57 117.12 111.13 1mur n MET 436 Ca 0.16 -2.18 -0.20 0.00 -1.81 0.00 0.00 57.70 53.67 1mur n MET 436 Cb 0.35 -0.70 -0.06 0.00 -0.71 0.00 0.00 33.22 32.11 1mur n MET 436 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1mur n ASP 437 N -0.26 0.36 -0.11 7.83 2.03 -1.26 -4.76 116.55 120.38 1mur n ASP 437 Ca 0.09 -0.79 0.26 0.00 0.52 0.00 0.00 54.79 54.87 1mur n ASP 437 Cb 0.87 -0.98 0.72 0.00 -0.72 0.00 0.00 41.12 41.01 1mur n ASP 437 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1mur h SER 438 N -0.71 0.00 -0.27 1.67 4.64 -1.96 0.34 113.55 117.28 1mur h SER 438 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1mur h SER 438 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1mur h SER 438 CO 0.43 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.68 1mur n LYS 439 N -4.24 2.85 -3.90 4.77 4.76 -1.26 -4.98 118.16 116.16 1mur n LYS 439 Ca 0.15 -2.09 -0.28 0.00 -2.87 0.00 0.00 58.31 53.22 1mur n LYS 439 Cb 0.84 -1.31 0.02 0.00 -1.84 0.00 0.00 35.03 32.73 1mur n LYS 439 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1mur n ARG 440 N 0.13 -4.81 -0.00 1.97 1.74 0.12 -4.89 116.66 110.92 1mur n ARG 440 Ca 0.11 0.55 0.10 0.00 -0.77 0.00 0.00 57.85 57.85 1mur n ARG 440 Cb 0.47 -5.24 -0.16 0.00 -1.02 0.00 0.00 32.46 26.51 1mur n ARG 440 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1mur n THR 441 N -4.51 0.09 -0.07 0.55 -2.24 -1.26 -4.98 114.28 101.86 1mur n THR 441 Ca -0.09 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1mur n THR 441 Cb 0.58 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1mur n THR 441 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mur n GLY 442 N 1.27 1.17 3.65 3.38 0.00 -1.26 -5.02 105.19 108.37 1mur n GLY 442 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1mur n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mur s ILE 443 N -2.49 5.14 0.02 -0.61 1.09 -1.26 -5.05 121.20 118.04 1mur s ILE 443 Ca 0.00 0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.65 1mur s ILE 443 Cb 0.00 -3.37 -0.04 0.00 -1.06 0.00 0.00 42.46 37.99 1mur s ILE 443 CO 0.00 0.39 0.10 0.00 -0.10 0.00 0.00 174.94 175.33 1mur s ALA 444 N 0.83 3.66 0.80 9.38 0.00 -1.26 -4.94 121.76 130.23 1mur s ALA 444 Ca 0.06 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 1mur s ALA 444 Cb -0.13 -1.61 0.07 0.00 0.00 0.00 0.00 23.12 21.45 1mur s ALA 444 CO 0.02 0.72 1.10 -1.54 0.00 0.00 0.00 175.76 176.07 1mur s SER 445 N -1.97 4.24 0.52 0.00 1.04 -1.26 -4.85 113.70 111.41 1mur s SER 445 Ca 0.26 1.89 0.29 0.00 0.48 0.00 0.00 55.95 58.87 1mur s SER 445 Cb -0.12 -2.53 1.40 0.00 0.10 0.00 0.00 66.02 64.87 1mur s SER 445 CO 0.18 -2.22 2.02 4.11 0.98 0.00 0.00 173.24 178.31 1mur h TRP 446 N -1.24 0.00 -0.40 5.02 5.08 -1.97 -2.40 115.95 120.04 1mur h TRP 446 Ca -0.43 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.42 1mur h TRP 446 Cb 1.24 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 1mur h TRP 446 CO 0.57 0.11 -0.20 0.78 -1.28 0.00 0.00 178.44 178.41 1mur h GLY 447 N 1.32 0.91 0.97 11.11 0.00 -1.93 -0.15 103.07 115.30 1mur h GLY 447 Ca -0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1mur h GLY 447 CO 0.01 0.75 0.20 0.00 0.00 0.00 0.00 176.54 177.50 1mur h ALA 448 N 0.81 0.45 -0.19 3.60 0.00 -1.75 0.16 119.26 122.34 1mur h ALA 448 Ca 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1mur h ALA 448 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1mur h ALA 448 CO 0.06 -0.02 -0.21 -0.07 0.00 0.00 0.00 179.25 179.01 1mur h LEU 449 N 0.45 0.33 -0.45 0.00 4.07 -1.41 -1.54 115.31 116.76 1mur h LEU 449 Ca 0.13 -0.09 -0.10 0.00 0.08 0.00 0.00 57.88 57.90 1mur h LEU 449 Cb 0.05 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1mur h LEU 449 CO -0.02 0.55 -0.10 -0.25 -1.08 0.00 0.00 178.44 177.55 1mur h TRP 450 N 0.31 0.97 -0.67 1.13 2.91 -0.40 -1.29 115.95 118.90 1mur h TRP 450 Ca 0.05 -0.20 0.03 0.00 1.13 0.00 0.00 58.89 59.90 1mur h TRP 450 Cb 0.55 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 28.92 1mur h TRP 450 CO 0.01 0.95 0.42 0.93 -1.03 0.00 0.00 178.44 179.72 1mur h GLU 451 N 0.70 0.80 0.19 2.65 4.39 -0.33 -1.33 114.58 121.65 1mur h GLU 451 Ca 0.12 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1mur h GLU 451 Cb 0.63 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1mur h GLU 451 CO 0.04 0.53 -0.09 0.78 -1.16 0.00 0.00 179.01 179.11 1mur h GLY 452 N 0.82 -0.27 0.19 -3.84 0.00 -1.05 -0.75 103.07 98.18 1mur h GLY 452 Ca 0.27 0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.77 1mur h GLY 452 CO -0.10 -0.10 -0.13 -0.25 0.00 0.00 0.00 176.54 175.96 1mur h TRP 453 N -0.37 -0.31 -0.64 5.60 2.91 -1.14 0.45 115.95 122.44 1mur h TRP 453 Ca -0.03 0.04 0.12 0.00 1.13 0.00 0.00 58.89 60.15 1mur h TRP 453 Cb 0.29 0.19 -0.09 0.00 -0.51 0.00 0.00 29.16 29.05 1mur h TRP 453 CO -0.03 -0.21 0.19 1.49 -1.03 0.00 0.00 178.44 178.85 1mur h GLU 454 N -0.06 0.32 0.40 2.65 4.81 -1.08 0.65 114.58 122.26 1mur h GLU 454 Ca 0.18 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1mur h GLU 454 Cb 0.33 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1mur h GLU 454 CO -0.41 0.21 -0.19 0.00 -0.73 0.00 0.00 179.01 177.90 1mur h ALA 455 N 1.49 -0.53 -0.24 2.92 0.00 0.46 0.40 119.26 123.76 1mur h ALA 455 Ca 0.34 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1mur h ALA 455 Cb 0.49 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1mur h ALA 455 CO -0.39 -0.69 -0.49 1.25 0.00 0.00 0.00 179.25 178.93 1mur h LEU 456 N -0.74 -1.58 -0.45 0.00 5.85 0.54 0.66 115.31 119.59 1mur h LEU 456 Ca -0.05 0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1mur h LEU 456 Cb 0.52 0.64 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1mur h LEU 456 CO 0.09 -0.43 0.16 1.56 -0.34 0.00 0.00 178.44 179.48 1mur h GLN 457 N -0.48 0.32 -0.34 1.25 1.08 0.33 0.25 115.11 117.53 1mur h GLN 457 Ca 0.07 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.32 1mur h GLN 457 Cb 0.64 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.93 1mur h GLN 457 CO -0.48 0.21 -0.06 1.03 -0.95 0.00 0.00 178.83 178.58 1mur h SER 458 N 0.33 -0.26 0.24 1.46 0.87 0.34 -0.77 113.55 115.77 1mur h SER 458 Ca 0.21 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1mur h SER 458 Cb 0.21 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1mur h SER 458 CO -0.21 -0.09 -0.20 0.11 -0.53 0.00 0.00 176.83 175.91 1mur h LYS 459 N 0.03 0.00 -0.13 2.24 1.57 0.86 -2.19 116.57 118.94 1mur h LYS 459 Ca 0.16 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1mur h LYS 459 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1mur h LYS 459 CO -0.33 0.20 -0.21 1.25 -0.57 0.00 0.00 179.45 179.79 1mur h LEU 460 N 0.00 0.21 -0.52 2.94 5.85 0.96 -1.89 115.31 122.86 1mur h LEU 460 Ca -0.00 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1mur h LEU 460 Cb 0.37 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1mur h LEU 460 CO 0.03 0.43 0.16 0.44 -0.34 0.00 0.00 178.44 179.16 1mur h ASP 461 N 0.20 0.13 0.57 1.25 3.32 -0.92 0.29 116.42 121.27 1mur h ASP 461 Ca 0.04 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1mur h ASP 461 Cb 0.49 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1mur h ASP 461 CO 0.03 0.10 -0.36 1.23 -1.72 0.00 0.00 179.24 178.52 1mur h GLY 462 N 0.32 -1.06 -0.78 2.75 0.00 -1.46 1.37 103.07 104.22 1mur h GLY 462 Ca 0.25 0.44 0.07 0.00 0.00 0.00 0.00 47.33 48.09 1mur h GLY 462 CO -0.28 -0.36 -0.46 0.33 0.00 0.00 0.00 176.54 175.77 1mur n PHE 463 N -4.62 -0.34 -0.19 5.60 7.35 -0.80 0.94 117.46 125.41 1mur n PHE 463 Ca -0.11 0.98 0.01 0.00 -0.76 0.00 0.00 57.45 57.58 1mur n PHE 463 Cb 0.36 -0.56 0.28 0.00 0.35 0.00 0.00 39.48 39.91 1mur n PHE 463 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1mur h LEU 464 N 0.00 0.80 -0.38 -2.13 3.38 -0.22 -0.18 115.31 116.58 1mur h LEU 464 Ca 0.13 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1mur h LEU 464 Cb 0.32 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1mur h LEU 464 CO -0.74 0.57 0.24 0.00 0.09 0.00 0.00 178.44 178.61 1mur h ALA 465 N 1.56 0.49 0.02 1.53 0.00 0.87 -1.60 119.26 122.13 1mur h ALA 465 Ca 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1mur h ALA 465 Cb -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1mur h ALA 465 CO -0.06 -0.03 -0.34 0.00 0.00 0.00 0.00 179.25 178.82 1mur h ALA 466 N 1.11 -0.80 -0.75 0.00 0.00 0.10 -1.80 119.26 117.13 1mur h ALA 466 Ca 0.14 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1mur h ALA 466 Cb -0.02 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1mur h ALA 466 CO -0.03 -0.89 -0.43 1.17 0.00 0.00 0.00 179.25 179.07 1mur n LYS 467 N -4.35 -0.31 -0.20 0.00 4.81 -0.23 -0.57 118.16 117.31 1mur n LYS 467 Ca -0.05 1.14 -0.03 0.00 -0.87 0.00 0.00 58.31 58.50 1mur n LYS 467 Cb 0.25 -1.67 0.03 0.00 0.02 0.00 0.00 35.03 33.66 1mur n LYS 467 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1mur h ASP 468 N 0.00 -0.88 -0.09 3.14 3.58 -0.42 0.49 116.42 122.25 1mur h ASP 468 Ca 0.14 0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.76 1mur h ASP 468 Cb 0.32 0.48 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1mur h ASP 468 CO -0.71 -0.26 -0.04 -0.07 -2.88 0.00 0.00 179.24 175.27 1mur h LEU 469 N -0.10 0.29 0.04 2.28 3.38 -0.48 -1.90 115.31 118.82 1mur h LEU 469 Ca 0.26 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.91 1mur h LEU 469 Cb 0.52 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.21 1mur h LEU 469 CO -0.66 0.38 -1.15 0.24 0.09 0.00 0.00 178.44 177.34 1mur h MET 470 N 0.30 0.55 -0.14 1.13 2.86 -0.76 1.71 114.93 120.58 1mur h MET 470 Ca 0.07 -0.70 0.04 0.00 -2.06 0.00 0.00 59.70 57.05 1mur h MET 470 Cb 0.27 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1mur h MET 470 CO 0.01 1.30 0.43 0.00 1.06 0.00 0.00 176.91 179.71 1mur h ALA 471 N 0.44 1.63 -0.75 6.32 0.00 -0.18 2.11 119.26 128.84 1mur h ALA 471 Ca -0.15 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.27 1mur h ALA 471 Cb 1.82 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 19.34 1mur h ALA 471 CO 0.21 -0.50 0.09 0.00 0.00 0.00 0.00 179.25 179.05 1mur n GLN 472 N -3.09 2.67 -0.71 0.00 10.64 -0.76 -4.91 117.38 121.23 1mur n GLN 472 Ca 0.01 -3.49 -0.03 0.00 -1.83 0.00 0.00 57.00 51.66 1mur n GLN 472 Cb 0.52 -2.14 -0.01 0.00 -0.86 0.00 0.00 30.24 27.74 1mur n GLN 472 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1mur n GLY 473 N -0.94 0.28 3.76 2.61 0.00 0.71 -4.85 105.19 106.77 1mur n GLY 473 Ca 0.49 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 1mur n GLY 473 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mur s ILE 474 N -0.87 2.94 -0.32 -0.61 1.01 0.57 -4.92 121.20 119.01 1mur s ILE 474 Ca 0.00 0.91 -0.25 0.00 0.00 0.00 0.00 60.65 61.31 1mur s ILE 474 Cb 0.00 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1mur s ILE 474 CO 0.00 0.20 0.89 -0.75 0.00 0.00 0.00 174.94 175.28 1mur s LYS 475 N -1.39 3.97 -0.15 2.79 2.36 -1.26 -4.23 119.74 121.83 1mur s LYS 475 Ca 0.50 0.72 -0.29 0.00 -2.55 0.00 0.00 55.97 54.34 1mur s LYS 475 Cb -0.38 -3.74 -0.02 0.00 -1.05 0.00 0.00 37.83 32.65 1mur s LYS 475 CO 0.48 -0.78 1.22 0.42 1.55 0.00 0.00 175.35 178.24 1mur s ILE 476 N 3.22 4.32 0.00 5.43 1.09 -1.26 -5.11 121.20 128.88 1mur s ILE 476 Ca 0.37 1.61 0.00 0.00 -1.10 0.00 0.00 60.65 61.52 1mur s ILE 476 Cb -0.13 -4.04 0.00 0.00 -1.06 0.00 0.00 42.46 37.23 1mur s ILE 476 CO 0.14 -0.11 0.00 0.61 -0.10 0.00 0.00 174.94 175.48