#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mz3 s VAL 15 N 0.00 4.79 0.30 4.08 0.11 -1.26 -4.87 120.40 123.55 3mz3 s VAL 15 Ca 0.00 0.46 -0.27 0.00 -2.93 0.00 0.00 61.98 59.24 3mz3 s VAL 15 Cb 0.00 -4.19 -0.14 0.00 -1.53 0.00 0.00 36.38 30.51 3mz3 s VAL 15 CO 0.00 -0.51 0.84 -2.65 -3.33 0.00 0.00 175.10 169.45 3mz3 n PRO 16 N 6.33 0.97 -3.15 1.54 -0.02 -1.26 -4.25 135.00 135.16 3mz3 n PRO 16 Ca 0.00 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.43 3mz3 n PRO 16 Cb 0.48 -1.64 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 3mz3 n PRO 16 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mz3 s VAL 17 N -1.13 4.73 -0.26 -1.45 1.01 0.39 -0.07 120.40 123.62 3mz3 s VAL 17 Ca 0.61 1.39 0.02 0.00 0.00 0.00 0.00 61.98 63.99 3mz3 s VAL 17 Cb -0.72 -3.99 0.05 0.00 0.00 0.00 0.00 36.38 31.73 3mz3 s VAL 17 CO 0.59 0.47 -0.10 -0.47 0.00 0.00 0.00 175.10 175.58 3mz3 s TYR 18 N -0.59 3.22 -1.27 5.22 6.14 -0.74 -0.77 117.35 128.55 3mz3 s TYR 18 Ca 0.33 -2.17 -0.19 0.00 0.64 0.00 0.00 57.07 55.67 3mz3 s TYR 18 Cb -0.20 -1.96 0.02 0.00 0.42 0.00 0.00 41.96 40.24 3mz3 s TYR 18 CO 0.20 -0.86 1.83 -0.89 0.64 0.00 0.00 175.55 176.48 3mz3 n ILE 19 N 4.48 3.33 -3.77 3.14 2.08 -0.57 -0.65 119.36 127.41 3mz3 n ILE 19 Ca -0.15 -3.41 -0.24 0.00 0.56 0.00 0.00 62.75 59.51 3mz3 n ILE 19 Cb 0.43 -2.32 -0.01 0.00 -0.75 0.00 0.00 39.64 36.99 3mz3 n ILE 19 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 3mz3 s TYR 20 N 5.93 1.96 0.00 1.39 5.04 -1.05 -4.84 117.35 125.78 3mz3 s TYR 20 Ca 0.57 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 3mz3 s TYR 20 Cb 0.04 -2.00 0.00 0.00 0.35 0.00 0.00 41.96 40.35 3mz3 s TYR 20 CO 0.08 -0.38 0.00 0.45 -1.34 0.00 0.00 175.55 174.36 3mz3 n SER 21 N -1.70 0.00 -0.43 4.32 2.88 -1.26 -3.74 113.62 113.68 3mz3 n SER 21 Ca 0.01 0.00 0.38 0.00 -1.33 0.00 0.00 58.87 57.93 3mz3 n SER 21 Cb 0.63 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.82 3mz3 n SER 21 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3mz3 h PRO 22 N 0.00 0.06 0.62 -1.46 0.11 -1.99 0.22 132.00 129.57 3mz3 h PRO 22 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3mz3 h PRO 22 Cb 0.00 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.10 3mz3 h PRO 22 CO 0.00 0.04 -0.30 0.93 -0.21 0.00 0.00 178.00 178.46 3mz3 h GLU 23 N 0.06 -0.80 -0.02 1.05 3.07 -1.98 -2.53 114.58 113.43 3mz3 h GLU 23 Ca 0.69 0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.62 3mz3 h GLU 23 Cb 2.56 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 30.62 3mz3 h GLU 23 CO -0.11 -0.49 -0.27 -0.92 -1.40 0.00 0.00 179.01 175.83 3mz3 h TYR 24 N -1.08 -0.80 -0.73 4.33 -0.00 -0.97 0.66 116.97 118.38 3mz3 h TYR 24 Ca -0.09 0.03 0.15 0.00 -0.00 0.00 0.00 58.73 58.82 3mz3 h TYR 24 Cb 0.69 0.35 -0.14 0.00 -0.00 0.00 0.00 36.73 37.63 3mz3 h TYR 24 CO 0.00 -0.28 -0.14 0.28 -0.00 0.00 0.00 178.16 178.02 3mz3 h VAL 25 N -0.33 0.29 0.00 1.81 2.07 -1.39 0.72 116.25 119.43 3mz3 h VAL 25 Ca 0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3mz3 h VAL 25 Cb 0.36 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3mz3 h VAL 25 CO -0.19 0.00 0.00 0.28 0.02 0.00 0.00 177.57 177.68 3mz3 h SER 26 N 0.02 0.00 0.07 0.57 0.02 -1.12 -1.18 113.55 111.93 3mz3 h SER 26 Ca 0.36 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.07 3mz3 h SER 26 Cb 0.58 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.13 3mz3 h SER 26 CO -0.73 0.00 -0.93 -0.03 -1.14 0.00 0.00 176.83 174.01 3mz3 h MET 27 N 0.00 0.63 -0.19 3.45 -1.53 0.28 -3.24 114.93 114.33 3mz3 h MET 27 Ca 0.00 -0.62 -0.18 0.00 -3.44 0.00 0.00 59.70 55.46 3mz3 h MET 27 Cb 0.49 0.16 0.01 0.00 -0.55 0.00 0.00 31.60 31.71 3mz3 h MET 27 CO 0.00 1.22 -0.60 0.00 0.14 0.00 0.00 176.91 177.67 3mz3 h ASP 29 N 0.45 0.00 0.17 0.00 3.45 -1.26 0.57 116.42 119.80 3mz3 h ASP 29 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3mz3 h ASP 29 Cb 1.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 3mz3 h ASP 29 CO 0.13 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.26 3mz3 n SER 30 N -4.09 0.00 -4.63 6.45 3.41 -1.12 -3.22 113.62 110.41 3mz3 n SER 30 Ca 0.25 -0.33 -0.43 0.00 -0.26 0.00 0.00 58.87 58.10 3mz3 n SER 30 Cb 1.24 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 65.03 3mz3 n SER 30 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3mz3 s LEU 31 N -2.27 3.93 0.08 1.04 0.20 0.20 -4.94 118.68 116.93 3mz3 s LEU 31 Ca 0.25 1.35 -0.16 0.00 0.69 0.00 0.00 54.13 56.26 3mz3 s LEU 31 Cb 0.13 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.32 3mz3 s LEU 31 CO 0.26 -1.06 1.26 0.00 -0.29 0.00 0.00 176.35 176.52 3mz3 n ALA 32 N 7.60 -0.33 -0.30 5.97 0.00 -1.26 -2.49 120.51 129.70 3mz3 n ALA 32 Ca 0.15 0.44 0.24 0.00 0.00 0.00 0.00 53.44 54.27 3mz3 n ALA 32 Cb 0.46 0.16 0.54 0.00 0.00 0.00 0.00 19.45 20.61 3mz3 n ALA 32 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3mz3 h LYS 33 N 0.00 0.33 -2.13 0.00 1.79 -1.96 -3.21 116.57 111.38 3mz3 h LYS 33 Ca 0.08 -0.02 -0.55 0.00 -2.18 0.00 0.00 60.65 57.98 3mz3 h LYS 33 Cb 0.21 -0.07 -0.41 0.00 -1.58 0.00 0.00 32.23 30.38 3mz3 h LYS 33 CO -0.49 0.22 -0.89 0.44 -1.08 0.00 0.00 179.45 177.65 3mz3 n ILE 34 N -4.54 1.33 -1.69 1.86 -5.35 -1.04 -5.06 119.36 104.87 3mz3 n ILE 34 Ca 0.24 -4.97 -0.55 0.00 -0.27 0.00 0.00 62.75 57.21 3mz3 n ILE 34 Cb 0.88 -1.21 -0.06 0.00 -1.74 0.00 0.00 39.64 37.51 3mz3 n ILE 34 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 3mz3 n PRO 35 N 0.34 1.39 -1.38 6.28 -0.04 -1.20 -1.91 135.00 138.48 3mz3 n PRO 35 Ca 0.27 0.51 -0.14 0.00 -0.04 0.00 0.00 63.50 64.10 3mz3 n PRO 35 Cb 0.50 -2.22 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 3mz3 n PRO 35 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3mz3 n LYS 36 N 5.13 -1.48 -0.08 0.54 4.01 -1.20 -4.84 118.16 120.25 3mz3 n LYS 36 Ca 0.24 0.90 -0.10 0.00 -0.51 0.00 0.00 58.31 58.84 3mz3 n LYS 36 Cb 0.18 -5.18 -0.03 0.00 -0.51 0.00 0.00 35.03 29.48 3mz3 n LYS 36 CO 0.00 0.00 0.00 -0.09 -1.11 0.00 0.00 177.40 176.20 3mz3 h ARG 37 N 0.00 0.41 -0.84 1.97 2.43 -1.70 -2.27 114.38 114.39 3mz3 h ARG 37 Ca -0.29 -0.09 0.13 0.00 -0.81 0.00 0.00 59.98 58.92 3mz3 h ARG 37 Cb 1.05 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.46 3mz3 h ARG 37 CO 0.42 0.48 0.45 0.00 -1.51 0.00 0.00 179.97 179.81 3mz3 h ALA 38 N 0.91 1.24 0.17 2.80 0.00 -1.87 -1.38 119.26 121.13 3mz3 h ALA 38 Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3mz3 h ALA 38 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mz3 h ALA 38 CO -0.00 -0.02 -0.08 0.77 0.00 0.00 0.00 179.25 179.91 3mz3 h SER 39 N 0.68 -0.19 -0.88 0.00 0.02 -1.76 -0.51 113.55 110.92 3mz3 h SER 39 Ca 0.44 -0.17 0.12 0.00 -0.84 0.00 0.00 61.79 61.35 3mz3 h SER 39 Cb 0.55 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.07 3mz3 h SER 39 CO -0.32 0.06 0.57 0.24 -1.14 0.00 0.00 176.83 176.24 3mz3 h MET 40 N -0.44 0.73 0.11 3.45 2.07 -0.97 0.25 114.93 120.13 3mz3 h MET 40 Ca -0.02 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 3mz3 h MET 40 Cb 0.35 -0.17 0.00 0.00 -1.87 0.00 0.00 31.60 29.91 3mz3 h MET 40 CO 0.04 0.48 -0.05 0.28 1.07 0.00 0.00 176.91 178.73 3mz3 h VAL 41 N 0.75 1.06 0.51 -2.22 2.07 -1.13 -2.51 116.25 114.79 3mz3 h VAL 41 Ca 0.43 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3mz3 h VAL 41 Cb 0.60 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3mz3 h VAL 41 CO -0.19 0.18 -0.25 -0.74 0.02 0.00 0.00 177.57 176.59 3mz3 h HIS 42 N -0.51 -0.64 -1.01 1.57 6.17 -0.14 -1.54 115.15 119.04 3mz3 h HIS 42 Ca -0.02 -0.02 0.36 0.00 0.71 0.00 0.00 60.37 61.41 3mz3 h HIS 42 Cb 0.41 0.21 -0.16 0.00 2.52 0.00 0.00 27.41 30.40 3mz3 h HIS 42 CO 0.04 -0.40 0.57 0.66 0.71 0.00 0.00 177.93 179.51 3mz3 h SER 43 N -0.72 0.44 -0.05 3.26 4.64 -0.66 0.38 113.55 120.84 3mz3 h SER 43 Ca -0.07 0.21 -0.14 0.00 -0.47 0.00 0.00 61.79 61.32 3mz3 h SER 43 Cb 0.53 0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3mz3 h SER 43 CO 0.12 -0.23 -0.52 0.25 -0.87 0.00 0.00 176.83 175.57 3mz3 h LEU 44 N 0.21 0.55 -1.47 5.97 5.85 -1.40 0.45 115.31 125.47 3mz3 h LEU 44 Ca 0.78 -0.69 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3mz3 h LEU 44 Cb 1.90 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 3mz3 h LEU 44 CO -0.65 1.16 0.21 0.40 -0.34 0.00 0.00 178.44 179.22 3mz3 h ILE 45 N -0.02 1.14 0.23 4.05 2.04 0.30 -2.85 117.51 122.40 3mz3 h ILE 45 Ca -0.05 -0.37 -0.31 0.00 1.00 0.00 0.00 64.86 65.14 3mz3 h ILE 45 Cb 1.19 0.60 0.03 0.00 -0.74 0.00 0.00 36.82 37.90 3mz3 h ILE 45 CO 0.10 0.15 -1.36 -0.08 0.00 0.00 0.00 178.15 176.97 3mz3 h GLU 46 N 0.57 0.48 0.00 2.37 4.81 -0.34 -2.44 114.58 120.03 3mz3 h GLU 46 Ca 0.15 -0.82 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 3mz3 h GLU 46 Cb 0.04 0.31 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3mz3 h GLU 46 CO -0.02 1.39 0.00 0.00 -0.73 0.00 0.00 179.01 179.65 3mz3 n ALA 47 N -2.72 1.99 0.06 2.92 0.00 0.16 0.88 120.51 123.80 3mz3 n ALA 47 Ca -0.17 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.28 3mz3 n ALA 47 Cb 1.04 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 19.50 3mz3 n ALA 47 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mz3 n TYR 48 N -0.51 0.03 -1.97 0.00 4.01 -1.11 -4.76 117.16 112.85 3mz3 n TYR 48 Ca 0.00 -0.14 -0.20 0.00 -0.16 0.00 0.00 57.90 57.40 3mz3 n TYR 48 Cb 0.00 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 38.97 3mz3 n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mz3 n ALA 49 N 0.01 -0.46 0.24 -0.72 0.00 0.26 -4.87 120.51 114.96 3mz3 n ALA 49 Ca 0.02 0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.84 3mz3 n ALA 49 Cb 0.12 -2.08 0.47 0.00 0.00 0.00 0.00 19.45 17.95 3mz3 n ALA 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mz3 h LEU 50 N 0.00 0.00 0.00 0.00 3.38 -1.60 -2.72 115.31 114.36 3mz3 h LEU 50 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3mz3 h LEU 50 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3mz3 h LEU 50 CO 0.59 0.12 0.00 0.00 0.09 0.00 0.00 178.44 179.24 3mz3 n HIS 51 N -3.21 0.00 0.58 1.13 1.44 -1.26 -2.51 115.22 111.39 3mz3 n HIS 51 Ca 0.01 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.84 3mz3 n HIS 51 Cb 0.42 -0.45 0.45 0.00 0.12 0.00 0.00 29.99 30.53 3mz3 n HIS 51 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3mz3 n LYS 52 N -1.45 0.14 -0.33 -1.40 4.76 -1.03 -2.53 118.16 116.32 3mz3 n LYS 52 Ca 0.08 0.26 0.08 0.00 -2.87 0.00 0.00 58.31 55.86 3mz3 n LYS 52 Cb 0.29 -1.71 0.18 0.00 -1.84 0.00 0.00 35.03 31.95 3mz3 n LYS 52 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3mz3 n GLN 53 N -1.96 1.54 -3.98 1.97 6.02 -1.04 -5.02 117.38 114.91 3mz3 n GLN 53 Ca 0.04 -2.89 -0.12 0.00 -0.01 0.00 0.00 57.00 54.01 3mz3 n GLN 53 Cb 0.29 -1.59 -0.13 0.00 1.02 0.00 0.00 30.24 29.83 3mz3 n GLN 53 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3mz3 s MET 54 N -3.03 0.22 -1.10 -1.09 -1.94 -1.05 -4.52 119.30 106.80 3mz3 s MET 54 Ca 0.36 -0.25 -0.22 0.00 -1.71 0.00 0.00 55.69 53.87 3mz3 s MET 54 Cb 0.32 -0.10 0.03 0.00 2.01 0.00 0.00 34.83 37.09 3mz3 s MET 54 CO -0.00 0.02 1.65 0.50 -0.01 0.00 0.00 175.02 177.18 3mz3 s ARG 55 N -0.49 3.44 0.34 2.03 3.52 0.89 -4.81 118.95 123.88 3mz3 s ARG 55 Ca -0.04 -1.24 -0.29 0.00 -0.13 0.00 0.00 55.73 54.03 3mz3 s ARG 55 Cb -0.04 -5.35 -0.12 0.00 -1.56 0.00 0.00 34.95 27.88 3mz3 s ARG 55 CO -0.00 -2.56 1.39 -0.89 -0.81 0.00 0.00 175.30 172.43 3mz3 n ILE 56 N 6.99 1.80 -3.69 4.11 5.41 -1.26 -1.79 119.36 130.93 3mz3 n ILE 56 Ca 0.40 -0.45 -0.18 0.00 1.00 0.00 0.00 62.75 63.51 3mz3 n ILE 56 Cb 0.49 -1.73 -0.17 0.00 -0.71 0.00 0.00 39.64 37.52 3mz3 n ILE 56 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3mz3 s VAL 57 N -0.89 -0.13 0.16 1.39 1.01 0.18 -4.84 120.40 117.28 3mz3 s VAL 57 Ca 0.57 0.37 -0.31 0.00 0.00 0.00 0.00 61.98 62.61 3mz3 s VAL 57 Cb -0.54 -0.17 -0.09 0.00 0.00 0.00 0.00 36.38 35.58 3mz3 s VAL 57 CO 0.60 0.15 1.41 -0.75 0.00 0.00 0.00 175.10 176.51 3mz3 s LYS 58 N 1.96 4.31 0.15 2.72 2.20 -1.25 -2.54 119.74 127.31 3mz3 s LYS 58 Ca 0.02 2.14 -0.22 0.00 -0.36 0.00 0.00 55.97 57.55 3mz3 s LYS 58 Cb -0.12 -3.20 -0.08 0.00 -1.51 0.00 0.00 37.83 32.92 3mz3 s LYS 58 CO -0.04 -0.42 0.70 -1.25 -0.36 0.00 0.00 175.35 173.99 3mz3 s PRO 59 N 0.64 4.38 0.45 4.03 0.04 -1.25 -4.97 135.00 138.32 3mz3 s PRO 59 Ca 0.63 0.96 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 3mz3 s PRO 59 Cb -0.38 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 3mz3 s PRO 59 CO 0.34 0.55 0.74 -1.59 0.04 0.00 0.00 177.00 177.07 3mz3 s LYS 60 N -1.35 3.55 0.25 4.56 -2.85 -1.26 -4.91 119.74 117.73 3mz3 s LYS 60 Ca 0.36 0.12 -0.23 0.00 -1.00 0.00 0.00 55.97 55.21 3mz3 s LYS 60 Cb -0.20 -2.43 -0.09 0.00 -2.06 0.00 0.00 37.83 33.04 3mz3 s LYS 60 CO 0.23 -0.12 0.81 0.08 0.10 0.00 0.00 175.35 176.45 3mz3 s VAL 61 N -2.62 4.39 0.20 1.79 1.01 -1.26 -3.28 120.40 120.62 3mz3 s VAL 61 Ca 0.46 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.71 3mz3 s VAL 61 Cb -0.10 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 3mz3 s VAL 61 CO 0.42 0.25 1.17 0.00 0.00 0.00 0.00 175.10 176.95 3mz3 s ALA 62 N -1.47 3.42 0.48 5.51 0.00 -0.66 -4.81 121.76 124.23 3mz3 s ALA 62 Ca 0.44 0.93 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 3mz3 s ALA 62 Cb -0.19 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 3mz3 s ALA 62 CO 0.23 -0.33 0.92 -1.54 0.00 0.00 0.00 175.76 175.05 3mz3 s SER 63 N -0.04 6.59 0.66 0.00 1.04 -1.26 -4.83 113.70 115.86 3mz3 s SER 63 Ca 0.51 1.45 0.42 0.00 0.48 0.00 0.00 55.95 58.81 3mz3 s SER 63 Cb -0.32 -2.46 2.32 0.00 0.10 0.00 0.00 66.02 65.66 3mz3 s SER 63 CO 0.37 -0.53 2.34 -0.03 0.98 0.00 0.00 173.24 176.37 3mz3 h MET 64 N 1.02 0.00 0.00 4.02 4.05 -2.00 0.05 114.93 122.07 3mz3 h MET 64 Ca -0.47 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 58.86 3mz3 h MET 64 Cb 1.19 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.97 3mz3 h MET 64 CO 0.62 0.00 -1.30 -0.85 0.23 0.00 0.00 176.91 175.61 3mz3 n GLU 65 N -3.18 0.62 0.06 0.39 0.00 -1.26 -2.30 120.64 114.96 3mz3 n GLU 65 Ca -0.03 0.15 -0.17 0.00 0.00 0.00 0.00 57.16 57.12 3mz3 n GLU 65 Cb 0.09 -1.79 -0.07 0.00 0.00 0.00 0.00 31.44 29.66 3mz3 n GLU 65 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3mz3 h GLU 66 N 0.00 0.55 -0.07 3.44 5.08 -1.38 -3.08 114.58 119.11 3mz3 h GLU 66 Ca -0.09 -0.59 -0.20 0.00 -1.00 0.00 0.00 59.36 57.47 3mz3 h GLU 66 Cb 1.32 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.74 3mz3 h GLU 66 CO 0.02 1.21 -0.79 0.52 -1.00 0.00 0.00 179.01 178.98 3mz3 h MET 67 N 0.31 0.48 0.00 2.33 2.86 -1.49 -2.47 114.93 116.95 3mz3 h MET 67 Ca -0.10 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 3mz3 h MET 67 Cb 1.64 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.39 3mz3 h MET 67 CO 0.18 1.06 0.00 0.00 1.06 0.00 0.00 176.91 179.21 3mz3 n ALA 68 N -2.54 1.45 0.14 6.32 0.00 -0.97 -1.10 120.51 123.82 3mz3 n ALA 68 Ca -0.05 -0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.40 3mz3 n ALA 68 Cb 0.74 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 19.33 3mz3 n ALA 68 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3mz3 h THR 69 N 0.00 1.09 0.00 0.00 2.02 -1.37 -3.40 112.91 111.25 3mz3 h THR 69 Ca 0.00 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.04 3mz3 h THR 69 Cb 0.00 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3mz3 h THR 69 CO 0.00 0.54 -0.62 0.33 0.37 0.00 0.00 175.52 176.14 3mz3 n PHE 70 N -3.44 0.00 -3.18 3.16 7.35 -0.26 -5.07 117.46 116.03 3mz3 n PHE 70 Ca 0.00 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 3mz3 n PHE 70 Cb 0.67 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.44 3mz3 n PHE 70 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3mz3 s HIS 71 N -1.62 3.78 0.66 -5.13 3.76 -0.32 -4.63 115.29 111.79 3mz3 s HIS 71 Ca 0.00 1.36 -0.16 0.00 -0.15 0.00 0.00 55.06 56.11 3mz3 s HIS 71 Cb 0.00 -2.57 0.00 0.00 1.11 0.00 0.00 32.58 31.12 3mz3 s HIS 71 CO 0.00 0.51 1.17 0.95 -0.85 0.00 0.00 174.74 176.52 3mz3 s THR 72 N -1.23 2.73 0.12 1.30 -4.23 -0.06 -4.31 115.64 109.96 3mz3 s THR 72 Ca 0.34 0.38 0.14 0.00 -1.18 0.00 0.00 61.69 61.37 3mz3 s THR 72 Cb -0.19 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.69 3mz3 s THR 72 CO 0.21 -0.17 1.57 0.44 -0.54 0.00 0.00 174.62 176.14 3mz3 h ASP 73 N 0.20 0.00 -0.77 3.99 3.32 -1.92 0.63 116.42 121.88 3mz3 h ASP 73 Ca -0.48 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.62 3mz3 h ASP 73 Cb 1.28 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.78 3mz3 h ASP 73 CO 0.53 0.56 0.51 0.00 -1.72 0.00 0.00 179.24 179.12 3mz3 h ALA 74 N 1.44 1.62 0.00 3.45 0.00 -1.98 0.11 119.26 123.90 3mz3 h ALA 74 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3mz3 h ALA 74 Cb 1.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3mz3 h ALA 74 CO 0.07 0.27 -0.13 -0.92 0.00 0.00 0.00 179.25 178.54 3mz3 h TYR 75 N 0.86 0.00 -1.18 0.00 3.20 -1.81 -3.14 116.97 114.90 3mz3 h TYR 75 Ca 0.32 0.00 0.33 0.00 3.14 0.00 0.00 58.73 62.53 3mz3 h TYR 75 Cb 0.18 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.38 3mz3 h TYR 75 CO -0.00 0.35 0.80 -0.07 -1.64 0.00 0.00 178.16 177.60 3mz3 h LEU 76 N -1.00 0.21 0.78 2.82 3.38 -0.80 0.50 115.31 121.20 3mz3 h LEU 76 Ca -0.02 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3mz3 h LEU 76 Cb 0.40 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.18 3mz3 h LEU 76 CO -0.01 0.01 -0.37 -0.61 0.09 0.00 0.00 178.44 177.54 3mz3 h GLN 77 N 0.17 -1.01 -0.87 1.13 5.75 -0.88 -2.56 115.11 116.85 3mz3 h GLN 77 Ca 0.63 0.07 0.11 0.00 -0.15 0.00 0.00 58.65 59.30 3mz3 h GLN 77 Cb 2.07 0.23 -0.06 0.00 1.07 0.00 0.00 27.48 30.78 3mz3 h GLN 77 CO -0.18 -0.65 0.56 1.25 -2.65 0.00 0.00 178.83 177.16 3mz3 h HIS 78 N -1.19 0.88 -0.53 3.99 2.76 -0.90 -1.22 115.15 118.95 3mz3 h HIS 78 Ca -0.11 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 3mz3 h HIS 78 Cb 0.82 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 3mz3 h HIS 78 CO -0.00 0.39 0.27 -0.07 -1.30 0.00 0.00 177.93 177.22 3mz3 h LEU 79 N 0.80 0.67 0.39 0.26 3.38 -1.15 -2.89 115.31 116.77 3mz3 h LEU 79 Ca 0.41 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3mz3 h LEU 79 Cb 0.49 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3mz3 h LEU 79 CO -0.18 0.59 -0.19 -0.61 0.09 0.00 0.00 178.44 178.15 3mz3 h GLN 80 N 0.70 -0.50 -1.28 1.13 4.15 -0.92 -3.00 115.11 115.39 3mz3 h GLN 80 Ca 0.18 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3mz3 h GLN 80 Cb 0.08 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3mz3 h GLN 80 CO -0.03 -0.20 0.00 1.63 -1.93 0.00 0.00 178.83 178.31 3mz3 n LYS 81 N -5.20 0.82 0.00 1.69 4.76 -0.54 -2.44 118.16 117.25 3mz3 n LYS 81 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 3mz3 n LYS 81 Cb 0.28 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 3mz3 n LYS 81 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 3mz3 n VAL 82 N 0.71 0.00 -2.56 -0.18 3.14 -1.09 -4.87 118.33 113.47 3mz3 n VAL 82 Ca 0.00 -0.02 -0.41 0.00 -2.96 0.00 0.00 64.34 60.95 3mz3 n VAL 82 Cb 0.41 0.96 0.01 0.00 -1.06 0.00 0.00 33.84 34.16 3mz3 n VAL 82 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3mz3 n SER 83 N -0.04 7.21 -0.03 6.55 3.41 -1.02 -4.44 113.62 125.26 3mz3 n SER 83 Ca 0.00 -3.50 -0.02 0.00 -0.26 0.00 0.00 58.87 55.10 3mz3 n SER 83 Cb 0.00 -1.24 -0.01 0.00 -0.26 0.00 0.00 64.21 62.70 3mz3 n SER 83 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3mz3 h GLN 84 N 4.59 0.00 0.00 4.33 1.08 -1.89 -3.06 115.11 120.17 3mz3 h GLN 84 Ca 0.50 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.70 3mz3 h GLN 84 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3mz3 h GLN 84 CO 1.29 0.00 0.00 -0.40 -0.95 0.00 0.00 178.83 178.77 3mz3 n ASP 92 N -3.40 0.00 0.17 1.46 5.75 -1.26 -4.60 116.55 114.67 3mz3 n ASP 92 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.88 3mz3 n ASP 92 Cb 0.09 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.45 3mz3 n ASP 92 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3mz3 h SER 93 N 0.00 0.00 0.00 -1.12 4.64 -2.02 -3.26 113.55 111.79 3mz3 h SER 93 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mz3 h SER 93 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mz3 h SER 93 CO 0.00 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.58 3mz3 n ILE 94 N -2.75 0.00 0.80 0.95 2.08 -1.26 -0.99 119.36 118.19 3mz3 n ILE 94 Ca 0.05 0.00 0.09 0.00 0.56 0.00 0.00 62.75 63.44 3mz3 n ILE 94 Cb 0.49 -0.70 -0.11 0.00 -0.75 0.00 0.00 39.64 38.57 3mz3 n ILE 94 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3mz3 n GLU 95 N -0.68 0.86 -0.20 0.38 2.13 -1.23 -4.30 120.64 117.61 3mz3 n GLU 95 Ca 0.00 -0.01 0.06 0.00 0.66 0.00 0.00 57.16 57.86 3mz3 n GLU 95 Cb 0.00 -1.38 0.15 0.00 0.27 0.00 0.00 31.44 30.48 3mz3 n GLU 95 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3mz3 n TYR 96 N -1.50 0.47 -0.91 4.31 4.01 -0.16 -4.94 117.16 118.45 3mz3 n TYR 96 Ca 0.03 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 3mz3 n TYR 96 Cb 0.31 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 3mz3 n TYR 96 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mz3 n GLY 97 N 0.08 0.49 3.07 2.72 0.00 -1.25 0.34 105.19 110.64 3mz3 n GLY 97 Ca 0.12 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 3mz3 n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mz3 n LEU 98 N 0.00 6.17 0.00 0.99 4.77 -1.21 -3.77 117.00 123.94 3mz3 n LEU 98 Ca 0.00 -4.54 0.00 0.00 -0.03 0.00 0.00 56.01 51.44 3mz3 n LEU 98 Cb 0.00 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.55 3mz3 n LEU 98 CO 0.00 1.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 3mz3 n GLY 99 N 3.33 3.16 0.11 -0.72 0.00 -1.20 -4.29 105.19 105.58 3mz3 n GLY 99 Ca 0.40 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 3mz3 n GLY 99 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3mz3 h TYR 100 N 0.00 0.13 0.29 1.61 3.20 -1.99 -2.17 116.97 118.03 3mz3 h TYR 100 Ca 0.00 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 3mz3 h TYR 100 Cb 0.00 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3mz3 h TYR 100 CO 0.00 0.87 -0.14 0.22 -1.64 0.00 0.00 178.16 177.48 3mz3 h ASP 101 N 0.05 -0.32 -2.76 -2.11 3.58 -1.95 -3.38 116.42 109.52 3mz3 h ASP 101 Ca -0.02 -0.20 -0.61 0.00 0.42 0.00 0.00 57.03 56.62 3mz3 h ASP 101 Cb 1.45 0.08 -0.40 0.00 1.72 0.00 0.00 39.33 42.18 3mz3 h ASP 101 CO 0.12 0.06 -0.74 0.00 -2.88 0.00 0.00 179.24 175.79 3mz3 n PRO 103 N 2.27 1.62 -0.85 0.00 -0.02 -0.82 -3.23 135.00 133.98 3mz3 n PRO 103 Ca 0.24 0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 62.19 3mz3 n PRO 103 Cb 0.41 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3mz3 n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mz3 n ALA 104 N 0.14 5.13 -1.72 3.55 0.00 -1.26 -4.93 120.51 121.42 3mz3 n ALA 104 Ca 0.08 -1.25 -0.43 0.00 0.00 0.00 0.00 53.44 51.84 3mz3 n ALA 104 Cb 0.35 -1.52 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 3mz3 n ALA 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mz3 n THR 105 N 1.28 1.45 -1.63 0.00 -2.24 -1.26 -4.66 114.28 107.22 3mz3 n THR 105 Ca 0.24 -0.36 -0.56 0.00 -2.27 0.00 0.00 64.05 61.09 3mz3 n THR 105 Cb 0.61 -1.74 -0.07 0.00 -2.10 0.00 0.00 70.33 67.04 3mz3 n THR 105 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3mz3 n GLU 106 N 1.37 0.84 -0.23 -0.78 0.28 -1.26 -1.56 120.64 119.30 3mz3 n GLU 106 Ca 0.07 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 3mz3 n GLU 106 Cb 0.36 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 31.31 3mz3 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3mz3 n GLY 107 N 2.98 1.05 0.36 -1.84 0.00 -1.16 -4.85 105.19 101.73 3mz3 n GLY 107 Ca 0.22 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.43 3mz3 n GLY 107 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3mz3 h ILE 108 N 0.00 0.35 -0.00 -0.61 3.07 -1.60 -1.23 117.51 117.49 3mz3 h ILE 108 Ca 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.41 3mz3 h ILE 108 Cb 0.00 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 37.27 3mz3 h ILE 108 CO 0.00 0.00 -0.01 0.15 -1.05 0.00 0.00 178.15 177.24 3mz3 h PHE 109 N 0.00 0.01 -0.34 0.16 3.57 -1.84 0.14 116.94 118.64 3mz3 h PHE 109 Ca 0.13 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.69 3mz3 h PHE 109 Cb 0.82 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3mz3 h PHE 109 CO 0.00 0.58 0.24 -0.44 -2.23 0.00 0.00 178.31 176.46 3mz3 h ASP 110 N -0.56 0.16 -0.16 0.41 3.45 -1.64 -0.05 116.42 118.03 3mz3 h ASP 110 Ca 0.00 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.30 3mz3 h ASP 110 Cb 0.58 -0.03 0.01 0.00 -0.56 0.00 0.00 39.33 39.32 3mz3 h ASP 110 CO 0.00 0.10 -0.53 0.22 -1.57 0.00 0.00 179.24 177.47 3mz3 h TYR 111 N 0.18 0.84 0.79 4.55 5.03 -1.12 -3.05 116.97 124.19 3mz3 h TYR 111 Ca 0.16 -0.34 -0.03 0.00 2.58 0.00 0.00 58.73 61.09 3mz3 h TYR 111 Cb 0.39 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.52 3mz3 h TYR 111 CO -0.00 1.13 -0.49 0.00 -1.32 0.00 0.00 178.16 177.48 3mz3 h ALA 112 N 0.55 -1.26 -0.76 1.82 0.00 0.12 -2.25 119.26 117.48 3mz3 h ALA 112 Ca -0.02 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 54.81 3mz3 h ALA 112 Cb 1.15 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 3mz3 h ALA 112 CO 0.11 -1.22 0.52 0.00 0.00 0.00 0.00 179.25 178.65 3mz3 h ALA 113 N -1.13 2.29 0.42 0.00 0.00 -1.52 0.92 119.26 120.25 3mz3 h ALA 113 Ca -0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3mz3 h ALA 113 Cb 0.96 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3mz3 h ALA 113 CO 0.10 -0.51 -0.31 0.00 0.00 0.00 0.00 179.25 178.53 3mz3 h ALA 114 N 1.65 -1.08 -0.39 0.00 0.00 -1.30 0.28 119.26 118.40 3mz3 h ALA 114 Ca 0.37 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3mz3 h ALA 114 Cb 1.04 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3mz3 h ALA 114 CO -0.10 -1.07 -0.04 0.82 0.00 0.00 0.00 179.25 178.86 3mz3 h ILE 115 N -0.71 1.23 0.57 0.00 2.04 -0.87 -1.06 117.51 118.71 3mz3 h ILE 115 Ca -0.06 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 3mz3 h ILE 115 Cb 0.59 0.98 0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3mz3 h ILE 115 CO 0.02 0.34 -0.27 1.23 0.00 0.00 0.00 178.15 179.46 3mz3 h GLY 116 N 0.94 -0.80 1.55 5.37 0.00 -0.76 -2.23 103.07 107.14 3mz3 h GLY 116 Ca 0.12 0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.79 3mz3 h GLY 116 CO 0.02 -0.29 0.18 -1.33 0.00 0.00 0.00 176.54 175.13 3mz3 h GLY 117 N -0.91 0.00 1.77 4.60 0.00 -0.52 0.17 103.07 108.19 3mz3 h GLY 117 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 3mz3 h GLY 117 CO 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 176.32 3mz3 h ALA 118 N 1.78 1.17 0.24 3.60 0.00 -0.96 0.21 119.26 125.29 3mz3 h ALA 118 Ca 0.07 -0.37 -0.33 0.00 0.00 0.00 0.00 54.91 54.28 3mz3 h ALA 118 Cb 0.44 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.17 3mz3 h ALA 118 CO -0.00 0.55 -1.48 1.15 0.00 0.00 0.00 179.25 179.47 3mz3 h THR 119 N 0.23 1.23 -0.79 0.00 2.02 -0.08 -3.05 112.91 112.48 3mz3 h THR 119 Ca 0.03 -2.65 0.01 0.00 0.77 0.00 0.00 66.41 64.57 3mz3 h THR 119 Cb 0.73 3.01 -0.04 0.00 -1.74 0.00 0.00 68.15 70.11 3mz3 h THR 119 CO 0.06 0.81 0.52 0.40 0.37 0.00 0.00 175.52 177.68 3mz3 h ILE 120 N 0.09 1.20 -0.48 3.11 2.04 -1.24 -0.12 117.51 122.11 3mz3 h ILE 120 Ca -0.27 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.29 3mz3 h ILE 120 Cb 2.12 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 3mz3 h ILE 120 CO 0.25 0.19 0.18 0.74 0.00 0.00 0.00 178.15 179.51 3mz3 h THR 121 N 1.07 0.84 0.00 -0.27 2.02 -1.02 -0.36 112.91 115.19 3mz3 h THR 121 Ca 0.29 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 3mz3 h THR 121 Cb -0.12 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3mz3 h THR 121 CO -0.07 0.06 -0.26 0.00 0.37 0.00 0.00 175.52 175.63 3mz3 h ALA 122 N 1.32 1.13 -0.29 6.16 0.00 -1.22 -2.59 119.26 123.77 3mz3 h ALA 122 Ca 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mz3 h ALA 122 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3mz3 h ALA 122 CO -0.23 0.32 0.09 0.00 0.00 0.00 0.00 179.25 179.43 3mz3 h ALA 123 N 1.74 0.38 0.54 0.00 0.00 0.60 -3.07 119.26 119.46 3mz3 h ALA 123 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3mz3 h ALA 123 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3mz3 h ALA 123 CO 0.03 0.03 -0.36 0.37 0.00 0.00 0.00 179.25 179.32 3mz3 h GLN 124 N 0.31 -0.84 0.00 0.00 5.75 -0.92 -1.57 115.11 117.85 3mz3 h GLN 124 Ca 0.09 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3mz3 h GLN 124 Cb 0.26 0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.00 3mz3 h GLN 124 CO -0.00 -0.56 0.10 0.00 -2.65 0.00 0.00 178.83 175.73 3mz3 n LEU 126 N -1.23 2.62 -0.99 0.00 -0.00 -0.63 -2.92 117.00 113.85 3mz3 n LEU 126 Ca 0.00 0.05 0.08 0.00 -0.00 0.00 0.00 56.01 56.14 3mz3 n LEU 126 Cb 0.10 -0.91 0.23 0.00 -0.00 0.00 0.00 43.42 42.84 3mz3 n LEU 126 CO 0.00 0.86 0.69 2.30 -0.00 0.00 0.00 177.39 181.24 3mz3 n ILE 127 N -3.33 0.81 -0.55 1.96 -5.35 0.10 -3.71 119.36 109.29 3mz3 n ILE 127 Ca -0.38 -0.70 0.06 0.00 -0.27 0.00 0.00 62.75 61.46 3mz3 n ILE 127 Cb 1.03 0.26 0.17 0.00 -1.74 0.00 0.00 39.64 39.35 3mz3 n ILE 127 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3mz3 n ASP 128 N 0.91 3.06 0.00 7.28 9.92 -0.25 -4.93 116.55 132.54 3mz3 n ASP 128 Ca 0.17 -2.49 0.00 0.00 -0.53 0.00 0.00 54.79 51.94 3mz3 n ASP 128 Cb 0.48 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 3mz3 n ASP 128 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mz3 n GLY 129 N -0.23 0.06 0.00 0.44 0.00 -1.24 -4.71 105.19 99.51 3mz3 n GLY 129 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3mz3 n GLY 129 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3mz3 n MET 130 N -2.00 0.00 0.00 1.61 0.00 -1.21 -4.70 117.12 110.82 3mz3 n MET 130 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 57.70 57.97 3mz3 n MET 130 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 33.22 31.62 3mz3 n MET 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3mz3 n LYS 132 N -0.62 0.97 -3.67 0.00 3.00 -1.26 -4.57 118.16 112.00 3mz3 n LYS 132 Ca 0.00 -0.79 -0.11 0.00 -0.00 0.00 0.00 58.31 57.41 3mz3 n LYS 132 Cb 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 35.03 33.43 3mz3 n LYS 132 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3mz3 s VAL 133 N -2.58 -0.41 -0.02 3.15 1.01 -1.26 -0.92 120.40 119.36 3mz3 s VAL 133 Ca 0.17 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3mz3 s VAL 133 Cb 0.18 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3mz3 s VAL 133 CO 0.62 0.09 -0.14 0.00 0.00 0.00 0.00 175.10 175.67 3mz3 s ALA 134 N 2.26 2.70 -0.02 5.51 0.00 -0.49 -0.46 121.76 131.26 3mz3 s ALA 134 Ca -0.02 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 50.97 3mz3 s ALA 134 Cb -0.11 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 3mz3 s ALA 134 CO -0.10 0.57 -0.21 0.42 0.00 0.00 0.00 175.76 176.44 3mz3 s ILE 135 N -0.82 1.64 -0.45 0.00 1.01 0.05 -0.40 121.20 122.23 3mz3 s ILE 135 Ca 0.13 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.95 3mz3 s ILE 135 Cb -0.11 -1.36 0.18 0.00 0.01 0.00 0.00 42.46 41.18 3mz3 s ILE 135 CO 0.03 0.46 0.55 0.21 0.00 0.00 0.00 174.94 176.19 3mz3 s ASN 136 N -0.49 -0.22 0.56 3.58 2.47 -0.04 -1.51 114.94 119.30 3mz3 s ASN 136 Ca 0.08 -1.98 0.26 0.00 0.42 0.00 0.00 52.86 51.64 3mz3 s ASN 136 Cb -0.08 1.03 1.64 0.00 -1.45 0.00 0.00 41.25 42.39 3mz3 s ASN 136 CO -0.01 -0.13 2.20 -0.50 -3.72 0.00 0.00 177.10 174.95 3mz3 h TRP 137 N 5.74 0.00 0.00 0.43 -0.00 -1.91 -2.33 115.95 117.87 3mz3 h TRP 137 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.01 3mz3 h TRP 137 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.21 3mz3 h TRP 137 CO 0.19 0.02 0.00 0.43 -0.00 0.00 0.00 178.44 179.08 3mz3 n SER 138 N -3.99 0.00 -4.92 -3.49 7.64 -1.26 -2.99 113.62 104.60 3mz3 n SER 138 Ca -0.03 -0.08 -0.19 0.00 1.01 0.00 0.00 58.87 59.57 3mz3 n SER 138 Cb 0.11 -0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 3mz3 n SER 138 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3mz3 s GLY 139 N -2.52 2.03 0.00 0.23 0.00 -0.88 -4.79 107.32 101.39 3mz3 s GLY 139 Ca 0.22 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.16 3mz3 s GLY 139 CO 0.32 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.43 3mz3 n GLY 140 N -1.64 0.33 3.54 0.20 0.00 -1.26 0.50 105.19 106.85 3mz3 n GLY 140 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3mz3 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mz3 n TRP 141 N 0.00 1.02 0.89 1.61 5.03 -1.26 -4.71 117.44 120.02 3mz3 n TRP 141 Ca 0.00 0.11 0.09 0.00 3.03 0.00 0.00 57.50 60.73 3mz3 n TRP 141 Cb 0.00 -2.32 -0.07 0.00 -1.03 0.00 0.00 31.31 27.89 3mz3 n TRP 141 CO 0.00 0.00 0.00 -2.39 -0.03 0.00 0.00 177.69 175.27 3mz3 n HIS 142 N 14.56 0.00 0.26 -5.99 1.44 -1.26 -3.87 115.22 120.36 3mz3 n HIS 142 Ca 0.49 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.32 3mz3 n HIS 142 Cb 0.37 0.00 0.16 0.00 0.12 0.00 0.00 29.99 30.64 3mz3 n HIS 142 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3mz3 h HIS 143 N 0.78 0.00 -2.40 -1.40 3.86 -1.84 -0.95 115.15 113.20 3mz3 h HIS 143 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 3mz3 h HIS 143 Cb 0.53 0.00 0.06 0.00 1.06 0.00 0.00 27.41 29.05 3mz3 h HIS 143 CO 0.00 0.00 0.90 0.00 0.86 0.00 0.00 177.93 179.69 3mz3 n ALA 144 N -2.07 1.88 -2.90 2.45 0.00 -1.26 -4.11 120.51 114.51 3mz3 n ALA 144 Ca 0.03 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.68 3mz3 n ALA 144 Cb 0.52 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 3mz3 n ALA 144 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3mz3 s LYS 145 N 1.21 3.43 0.44 0.00 1.02 -0.03 -4.59 119.74 121.21 3mz3 s LYS 145 Ca 0.78 -0.70 0.31 0.00 0.02 0.00 0.00 55.97 56.38 3mz3 s LYS 145 Cb -0.61 -2.85 1.46 0.00 -0.52 0.00 0.00 37.83 35.31 3mz3 s LYS 145 CO 0.36 0.37 1.60 -0.22 -0.92 0.00 0.00 175.35 176.54 3mz3 h LYS 146 N 1.09 0.04 -0.37 1.68 3.64 -1.92 -2.44 116.57 118.29 3mz3 h LYS 146 Ca -0.51 -0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.63 3mz3 h LYS 146 Cb 1.23 -0.01 -0.33 0.00 -0.41 0.00 0.00 32.23 32.71 3mz3 h LYS 146 CO 0.61 0.03 -0.90 -0.40 -2.27 0.00 0.00 179.45 176.51 3mz3 n ASP 147 N -4.74 0.74 -3.57 4.20 3.85 -1.26 -0.88 116.55 114.89 3mz3 n ASP 147 Ca 0.39 -2.14 -0.01 0.00 -0.71 0.00 0.00 54.79 52.32 3mz3 n ASP 147 Cb 1.49 -0.16 -0.05 0.00 -1.35 0.00 0.00 41.12 41.05 3mz3 n ASP 147 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 3mz3 s GLU 148 N -2.71 0.47 0.18 0.11 2.12 -0.92 -4.81 118.70 113.14 3mz3 s GLU 148 Ca 0.23 1.06 -0.30 0.00 0.36 0.00 0.00 54.97 56.32 3mz3 s GLU 148 Cb 0.36 0.50 -0.08 0.00 0.26 0.00 0.00 34.13 35.17 3mz3 s GLU 148 CO -0.06 -0.14 1.26 0.00 -0.54 0.00 0.00 175.26 175.79 3mz3 s ALA 149 N 2.31 3.48 -0.06 6.30 0.00 0.15 -0.85 121.76 133.09 3mz3 s ALA 149 Ca -0.06 1.03 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 3mz3 s ALA 149 Cb -0.08 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3mz3 s ALA 149 CO -0.18 -0.47 0.22 0.45 0.00 0.00 0.00 175.76 175.78 3mz3 s SER 150 N 0.33 -0.19 -1.43 0.00 0.15 -0.46 -4.29 113.70 107.82 3mz3 s SER 150 Ca 0.56 0.31 -0.11 0.00 0.70 0.00 0.00 55.95 57.41 3mz3 s SER 150 Cb -0.35 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 3mz3 s SER 150 CO 0.37 -0.16 0.25 0.61 1.20 0.00 0.00 173.24 175.51 3mz3 n GLY 151 N 2.56 -0.36 2.84 9.45 0.00 -1.26 -0.53 105.19 117.90 3mz3 n GLY 151 Ca -0.15 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3mz3 n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mz3 n PHE 152 N -4.71 0.00 -3.84 1.61 3.72 -1.25 -4.81 117.46 108.18 3mz3 n PHE 152 Ca -0.26 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.78 3mz3 n PHE 152 Cb 0.66 -0.68 -0.12 0.00 -0.94 0.00 0.00 39.48 38.39 3mz3 n PHE 152 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mz3 n TYR 154 N 4.56 0.00 -3.89 0.00 4.02 -1.26 -1.35 117.16 119.24 3mz3 n TYR 154 Ca -0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.62 3mz3 n TYR 154 Cb 0.52 -0.38 -0.10 0.00 -0.02 0.00 0.00 39.34 39.36 3mz3 n TYR 154 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3mz3 s LEU 155 N -4.13 1.63 -0.97 7.72 2.96 -1.26 -4.79 118.68 119.84 3mz3 s LEU 155 Ca -0.05 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3mz3 s LEU 155 Cb 0.13 0.65 0.28 0.00 0.50 0.00 0.00 46.19 47.75 3mz3 s LEU 155 CO 0.81 -0.42 1.21 -3.20 -1.32 0.00 0.00 176.35 173.44 3mz3 n ASN 156 N 1.23 5.53 -0.16 3.68 2.85 -1.26 -4.69 115.26 122.44 3mz3 n ASN 156 Ca -0.22 -3.35 0.29 0.00 -0.11 0.00 0.00 54.58 51.19 3mz3 n ASN 156 Cb 0.56 -1.13 0.66 0.00 1.24 0.00 0.00 39.78 41.11 3mz3 n ASN 156 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 3mz3 h ASP 157 N 5.36 0.00 -0.11 1.20 2.03 -1.90 0.13 116.42 123.12 3mz3 h ASP 157 Ca 0.19 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.45 3mz3 h ASP 157 Cb 0.67 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.17 3mz3 h ASP 157 CO 1.14 0.00 -0.10 0.00 -1.03 0.00 0.00 179.24 179.25 3mz3 h ALA 158 N 1.14 0.16 -0.10 4.15 0.00 -1.89 -1.33 119.26 121.40 3mz3 h ALA 158 Ca 0.43 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3mz3 h ALA 158 Cb 2.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 3mz3 h ALA 158 CO -0.00 0.00 0.05 0.28 0.00 0.00 0.00 179.25 179.57 3mz3 h VAL 159 N -0.13 1.12 -0.84 0.00 2.07 -1.12 0.83 116.25 118.18 3mz3 h VAL 159 Ca 0.02 -0.34 0.17 0.00 0.82 0.00 0.00 66.70 67.37 3mz3 h VAL 159 Cb 0.62 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 3mz3 h VAL 159 CO 0.03 0.10 0.55 -0.07 0.02 0.00 0.00 177.57 178.20 3mz3 h LEU 160 N 0.03 0.44 0.03 2.57 3.38 -1.33 0.19 115.31 120.62 3mz3 h LEU 160 Ca 0.03 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3mz3 h LEU 160 Cb 0.12 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.84 3mz3 h LEU 160 CO -0.00 0.21 -0.70 1.23 0.09 0.00 0.00 178.44 179.26 3mz3 h GLY 161 N 0.46 0.47 1.27 0.83 0.00 -0.66 -2.91 103.07 102.53 3mz3 h GLY 161 Ca 0.42 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3mz3 h GLY 161 CO -0.16 0.78 0.38 -2.22 0.00 0.00 0.00 176.54 175.32 3mz3 h ILE 162 N -0.11 1.21 0.00 2.60 2.04 0.28 -0.87 117.51 122.66 3mz3 h ILE 162 Ca -0.10 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3mz3 h ILE 162 Cb 1.43 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3mz3 h ILE 162 CO 0.14 0.23 0.00 -0.07 0.00 0.00 0.00 178.15 178.45 3mz3 h LEU 163 N 0.97 0.00 0.00 1.44 3.38 -0.70 -1.38 115.31 119.02 3mz3 h LEU 163 Ca 0.25 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.03 3mz3 h LEU 163 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3mz3 h LEU 163 CO -0.04 0.00 -1.25 -0.09 0.09 0.00 0.00 178.44 177.15 3mz3 h ARG 164 N 0.00 0.00 0.00 1.13 9.65 -0.98 -3.28 114.38 120.90 3mz3 h ARG 164 Ca 0.00 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.73 3mz3 h ARG 164 Cb 0.42 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 3mz3 h ARG 164 CO 0.00 0.48 -0.72 -0.07 2.80 0.00 0.00 179.97 182.46 3mz3 h LEU 165 N 0.00 0.00 0.00 3.80 3.38 -0.70 -3.08 115.31 118.72 3mz3 h LEU 165 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3mz3 h LEU 165 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 3mz3 h LEU 165 CO 0.07 0.72 0.00 0.54 0.09 0.00 0.00 178.44 179.86 3mz3 n ARG 166 N -3.54 0.08 0.03 1.13 5.12 -0.58 -0.47 116.66 118.43 3mz3 n ARG 166 Ca -0.00 0.07 -0.17 0.00 -1.93 0.00 0.00 57.85 55.82 3mz3 n ARG 166 Cb 0.74 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 30.39 3mz3 n ARG 166 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mz3 h ARG 167 N 0.00 0.21 0.00 5.56 3.08 -1.72 -3.39 114.38 118.11 3mz3 h ARG 167 Ca 0.00 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 3mz3 h ARG 167 Cb 0.01 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3mz3 h ARG 167 CO 0.00 1.03 -1.63 1.17 -1.07 0.00 0.00 179.97 179.46 3mz3 n LYS 168 N -3.38 0.52 -4.26 0.04 3.00 -0.68 -5.02 118.16 108.38 3mz3 n LYS 168 Ca -0.22 -0.11 -0.29 0.00 -0.00 0.00 0.00 58.31 57.68 3mz3 n LYS 168 Cb 1.05 -1.32 -0.10 0.00 0.00 0.00 0.00 35.03 34.66 3mz3 n LYS 168 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3mz3 s PHE 169 N -2.89 2.66 -0.38 5.64 0.40 0.38 -5.04 117.98 118.75 3mz3 s PHE 169 Ca -0.05 -0.20 0.20 0.00 -0.60 0.00 0.00 56.93 56.28 3mz3 s PHE 169 Cb 0.08 -1.38 -0.27 0.00 0.51 0.00 0.00 43.02 41.97 3mz3 s PHE 169 CO 0.56 0.43 0.59 0.39 0.70 0.00 0.00 175.22 177.89 3mz3 n GLU 170 N 0.58 0.61 -3.43 0.44 -0.58 -1.26 -4.37 120.64 112.62 3mz3 n GLU 170 Ca -0.13 -0.11 -0.15 0.00 -0.42 0.00 0.00 57.16 56.34 3mz3 n GLU 170 Cb 0.53 -1.45 -0.11 0.00 -0.57 0.00 0.00 31.44 29.84 3mz3 n GLU 170 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3mz3 s ARG 171 N -3.16 0.26 -0.14 3.49 0.52 -1.25 -4.73 118.95 113.93 3mz3 s ARG 171 Ca -0.01 0.24 -0.06 0.00 -0.52 0.00 0.00 55.73 55.38 3mz3 s ARG 171 Cb 0.13 -0.91 -0.04 0.00 0.52 0.00 0.00 34.95 34.66 3mz3 s ARG 171 CO 0.81 -0.72 0.05 0.42 0.02 0.00 0.00 175.30 175.89 3mz3 s ILE 172 N 2.40 4.74 -0.26 1.52 1.09 -0.78 -0.12 121.20 129.78 3mz3 s ILE 172 Ca 0.09 -0.07 -0.07 0.00 -1.10 0.00 0.00 60.65 59.50 3mz3 s ILE 172 Cb -0.15 -3.08 -0.02 0.00 -1.06 0.00 0.00 42.46 38.15 3mz3 s ILE 172 CO -0.17 0.53 0.07 -0.22 -0.10 0.00 0.00 174.94 175.05 3mz3 s LEU 173 N -0.21 3.51 -0.21 2.97 2.96 -0.73 -2.05 118.68 124.93 3mz3 s LEU 173 Ca 0.07 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.55 3mz3 s LEU 173 Cb -0.12 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 3mz3 s LEU 173 CO 0.01 -0.07 0.19 -0.47 -1.32 0.00 0.00 176.35 174.69 3mz3 s TYR 174 N 1.59 3.37 -0.28 5.38 5.04 -0.69 -0.57 117.35 131.19 3mz3 s TYR 174 Ca 0.06 0.35 0.02 0.00 -2.44 0.00 0.00 57.07 55.05 3mz3 s TYR 174 Cb -0.15 -2.26 0.08 0.00 0.35 0.00 0.00 41.96 39.97 3mz3 s TYR 174 CO 0.03 0.16 -0.01 0.08 -1.34 0.00 0.00 175.55 174.47 3mz3 s VAL 175 N 0.76 1.80 -0.46 3.14 1.01 0.61 -0.37 120.40 126.89 3mz3 s VAL 175 Ca 0.10 -1.67 -0.19 0.00 0.00 0.00 0.00 61.98 60.22 3mz3 s VAL 175 Cb -0.13 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.14 3mz3 s VAL 175 CO 0.02 -0.31 0.58 -0.62 0.00 0.00 0.00 175.10 174.77 3mz3 s ASP 176 N 1.22 6.25 -0.07 3.32 -1.08 0.24 -0.56 116.67 125.99 3mz3 s ASP 176 Ca 0.01 -0.66 0.17 0.00 -0.52 0.00 0.00 52.55 51.55 3mz3 s ASP 176 Cb -0.19 -2.28 0.57 0.00 -1.46 0.00 0.00 42.92 39.56 3mz3 s ASP 176 CO -0.09 -0.76 1.48 0.18 0.52 0.00 0.00 175.17 176.50 3mz3 n LEU 177 N 6.03 4.00 -4.77 -1.34 4.77 0.34 -1.75 117.00 124.29 3mz3 n LEU 177 Ca -0.05 -2.33 -0.32 0.00 -0.03 0.00 0.00 56.01 53.28 3mz3 n LEU 177 Cb 0.47 -0.46 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 3mz3 n LEU 177 CO 0.52 0.80 0.71 -0.62 -1.33 0.00 0.00 177.39 177.47 3mz3 s ASP 178 N -1.10 4.61 0.54 -1.43 2.15 -1.25 -4.37 116.67 115.83 3mz3 s ASP 178 Ca 0.42 1.89 0.30 0.00 0.43 0.00 0.00 52.55 55.58 3mz3 s ASP 178 Cb 0.26 -2.53 1.55 0.00 -0.30 0.00 0.00 42.92 41.90 3mz3 s ASP 178 CO 0.21 -1.96 2.10 0.25 -0.17 0.00 0.00 175.17 175.60 3mz3 h LEU 179 N -0.83 0.00 -9.76 -1.34 5.85 -1.82 -3.40 115.31 104.01 3mz3 h LEU 179 Ca -0.44 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 57.67 3mz3 h LEU 179 Cb 1.24 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 3mz3 h LEU 179 CO 0.52 0.09 -0.56 -1.00 -0.34 0.00 0.00 178.44 177.15 3mz3 s HIS 180 N -4.17 3.27 0.08 1.25 3.76 -1.26 -1.72 115.29 116.49 3mz3 s HIS 180 Ca -0.03 0.09 -0.32 0.00 -0.15 0.00 0.00 55.06 54.65 3mz3 s HIS 180 Cb 0.13 -1.62 -0.11 0.00 1.11 0.00 0.00 32.58 32.09 3mz3 s HIS 180 CO 0.56 0.53 1.84 1.58 -0.85 0.00 0.00 174.74 178.41 3mz3 n HIS 181 N 0.11 2.53 -1.49 1.40 -0.00 -1.26 -4.84 115.22 111.67 3mz3 n HIS 181 Ca -0.08 -0.13 -0.42 0.00 0.46 0.00 0.00 57.72 57.55 3mz3 n HIS 181 Cb 0.53 -2.72 -0.03 0.00 -0.12 0.00 0.00 29.99 27.65 3mz3 n HIS 181 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3mz3 n GLY 182 N 4.24 3.52 0.32 1.57 0.00 -1.26 -4.71 105.19 108.86 3mz3 n GLY 182 Ca 0.19 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 3mz3 n GLY 182 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3mz3 h ASP 183 N 6.92 -0.64 -0.98 1.61 -0.00 -1.89 -2.31 116.42 119.13 3mz3 h ASP 183 Ca 0.50 0.02 0.25 0.00 -0.00 0.00 0.00 57.03 57.80 3mz3 h ASP 183 Cb 0.66 0.17 -0.18 0.00 -0.00 0.00 0.00 39.33 39.97 3mz3 h ASP 183 CO 1.91 -0.26 -0.04 0.61 -0.00 0.00 0.00 179.24 181.46 3mz3 n GLY 184 N -0.20 -1.40 0.24 7.15 0.00 -0.39 0.11 105.19 110.69 3mz3 n GLY 184 Ca -0.09 0.98 -0.14 0.00 0.00 0.00 0.00 46.02 46.76 3mz3 n GLY 184 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mz3 h VAL 185 N 0.00 1.28 -0.06 1.61 2.07 -1.56 -2.52 116.25 117.08 3mz3 h VAL 185 Ca 0.57 -1.79 0.02 0.00 0.82 0.00 0.00 66.70 66.32 3mz3 h VAL 185 Cb 1.12 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3mz3 h VAL 185 CO -0.94 0.58 -0.08 -0.08 0.02 0.00 0.00 177.57 177.07 3mz3 h GLU 186 N 0.61 -0.11 -0.55 1.57 4.81 0.14 -2.68 114.58 118.37 3mz3 h GLU 186 Ca 0.00 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 3mz3 h GLU 186 Cb 1.20 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 3mz3 h GLU 186 CO 0.13 -0.07 0.12 -0.44 -0.73 0.00 0.00 179.01 178.01 3mz3 h ASP 187 N -0.11 0.80 -0.43 1.04 3.45 -0.85 0.27 116.42 120.59 3mz3 h ASP 187 Ca 0.05 -0.15 0.12 0.00 0.43 0.00 0.00 57.03 57.48 3mz3 h ASP 187 Cb 0.18 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.73 3mz3 h ASP 187 CO -0.12 0.79 0.45 0.00 -1.57 0.00 0.00 179.24 178.79 3mz3 h ALA 188 N 1.31 2.15 0.00 3.45 0.00 -1.11 -2.69 119.26 122.38 3mz3 h ALA 188 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3mz3 h ALA 188 Cb 0.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3mz3 h ALA 188 CO 0.00 -0.67 -0.27 1.19 0.00 0.00 0.00 179.25 179.50 3mz3 n PHE 189 N -3.74 0.00 0.29 0.00 3.01 -0.72 -4.83 117.46 111.46 3mz3 n PHE 189 Ca 0.08 -0.23 0.16 0.00 1.01 0.00 0.00 57.45 58.47 3mz3 n PHE 189 Cb 0.63 -0.06 0.89 0.00 -0.01 0.00 0.00 39.48 40.93 3mz3 n PHE 189 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3mz3 h SER 190 N 0.00 0.00 -0.35 4.37 4.64 -0.14 -1.97 113.55 120.10 3mz3 h SER 190 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mz3 h SER 190 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3mz3 h SER 190 CO 0.00 0.05 0.00 0.49 -0.87 0.00 0.00 176.83 176.50 3mz3 n PHE 191 N -3.48 0.45 -4.40 4.77 3.72 -1.26 -2.00 117.46 115.26 3mz3 n PHE 191 Ca -0.02 -0.23 -0.27 0.00 -0.05 0.00 0.00 57.45 56.88 3mz3 n PHE 191 Cb 0.17 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.60 3mz3 n PHE 191 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3mz3 s THR 192 N -1.55 2.46 -1.55 4.37 -1.32 -0.74 -2.97 115.64 114.33 3mz3 s THR 192 Ca 0.35 -1.96 0.17 0.00 -1.21 0.00 0.00 61.69 59.04 3mz3 s THR 192 Cb 0.20 -2.18 0.00 0.00 -1.51 0.00 0.00 72.50 69.01 3mz3 s THR 192 CO 0.28 -0.10 0.88 -1.54 -2.21 0.00 0.00 174.62 171.93 3mz3 n SER 193 N 0.29 1.70 0.16 8.08 3.41 -1.26 -4.22 113.62 121.78 3mz3 n SER 193 Ca -0.13 -1.35 0.08 0.00 -0.26 0.00 0.00 58.87 57.22 3mz3 n SER 193 Cb 0.56 0.45 0.08 0.00 -0.26 0.00 0.00 64.21 65.04 3mz3 n SER 193 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3mz3 h LYS 194 N 1.92 0.00 -3.97 4.33 1.79 -1.93 -3.43 116.57 115.28 3mz3 h LYS 194 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 3mz3 h LYS 194 Cb 0.57 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 30.84 3mz3 h LYS 194 CO 0.00 0.17 -0.78 0.08 -1.08 0.00 0.00 179.45 177.84 3mz3 s VAL 195 N -3.14 0.80 -0.24 0.50 1.01 -1.26 -1.87 120.40 116.20 3mz3 s VAL 195 Ca 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 3mz3 s VAL 195 Cb 0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 3mz3 s VAL 195 CO 0.72 0.18 0.09 -0.32 0.00 0.00 0.00 175.10 175.78 3mz3 s MET 196 N 1.78 3.77 -0.30 2.72 1.75 -0.87 -4.85 119.30 123.30 3mz3 s MET 196 Ca 0.03 -0.42 -0.10 0.00 -1.25 0.00 0.00 55.69 53.94 3mz3 s MET 196 Cb -0.14 -3.36 -0.03 0.00 2.84 0.00 0.00 34.83 34.14 3mz3 s MET 196 CO -0.07 -0.10 0.17 0.95 -0.65 0.00 0.00 175.02 175.32 3mz3 s THR 197 N 1.40 4.95 -0.13 10.11 -4.23 -1.10 -1.70 115.64 124.95 3mz3 s THR 197 Ca 0.06 -0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 60.38 3mz3 s THR 197 Cb -0.15 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 3mz3 s THR 197 CO 0.05 0.15 0.04 -0.69 -0.54 0.00 0.00 174.62 173.63 3mz3 s VAL 198 N 1.69 4.63 -0.14 2.29 1.01 0.50 -0.25 120.40 130.13 3mz3 s VAL 198 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3mz3 s VAL 198 Cb -0.16 -3.02 0.07 0.00 0.00 0.00 0.00 36.38 33.26 3mz3 s VAL 198 CO 0.08 0.54 0.17 -0.55 0.00 0.00 0.00 175.10 175.34 3mz3 s SER 199 N -0.32 1.32 -0.26 3.32 0.15 -1.05 -0.59 113.70 116.27 3mz3 s SER 199 Ca 0.08 -0.07 -0.12 0.00 0.70 0.00 0.00 55.95 56.53 3mz3 s SER 199 Cb -0.12 0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 64.34 3mz3 s SER 199 CO 0.02 -0.30 0.25 -0.76 1.20 0.00 0.00 173.24 173.65 3mz3 s LEU 200 N 2.27 4.06 -0.18 3.45 1.02 -0.72 -1.22 118.68 127.37 3mz3 s LEU 200 Ca 0.04 0.15 -0.28 0.00 0.02 0.00 0.00 54.13 54.06 3mz3 s LEU 200 Cb -0.14 -2.23 0.08 0.00 0.02 0.00 0.00 46.19 43.91 3mz3 s LEU 200 CO -0.09 -0.06 0.75 -1.38 0.02 0.00 0.00 176.35 175.59 3mz3 s HIS 201 N 1.62 -0.69 0.14 0.29 -3.43 -1.19 -4.27 115.29 107.76 3mz3 s HIS 201 Ca 0.10 1.47 -0.33 0.00 -0.80 0.00 0.00 55.06 55.50 3mz3 s HIS 201 Cb -0.15 0.34 -0.12 0.00 -1.43 0.00 0.00 32.58 31.22 3mz3 s HIS 201 CO 0.09 -0.46 1.71 1.17 -2.00 0.00 0.00 174.74 175.25 3mz3 n LYS 202 N 1.82 2.48 -4.85 -0.38 4.81 -0.70 -2.55 118.16 118.79 3mz3 n LYS 202 Ca -0.16 0.90 -0.32 0.00 -0.87 0.00 0.00 58.31 57.86 3mz3 n LYS 202 Cb 0.56 -2.73 -0.17 0.00 0.02 0.00 0.00 35.03 32.72 3mz3 n LYS 202 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3mz3 s PHE 203 N 1.75 2.55 -0.01 5.64 2.19 -0.48 -4.69 117.98 124.93 3mz3 s PHE 203 Ca 0.80 -1.19 -0.28 0.00 0.33 0.00 0.00 56.93 56.58 3mz3 s PHE 203 Cb -0.58 -1.73 0.10 0.00 -1.31 0.00 0.00 43.02 39.49 3mz3 s PHE 203 CO 0.38 -0.53 0.86 0.45 1.83 0.00 0.00 175.22 178.21 3mz3 s SER 204 N 0.65 -0.40 0.07 6.13 0.15 -1.26 -4.66 113.70 114.39 3mz3 s SER 204 Ca -0.12 0.07 -0.30 0.00 0.70 0.00 0.00 55.95 56.30 3mz3 s SER 204 Cb -0.16 0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 64.49 3mz3 s SER 204 CO 0.02 -0.62 1.09 -2.84 1.20 0.00 0.00 173.24 172.09 3mz3 s PRO 205 N -2.88 4.52 0.00 5.44 0.02 -1.26 -3.14 135.00 137.70 3mz3 s PRO 205 Ca 0.03 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.68 3mz3 s PRO 205 Cb -0.01 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 31.14 3mz3 s PRO 205 CO -0.07 -0.09 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 3mz3 n GLY 206 N 2.80 0.99 3.47 0.52 0.00 -1.26 -5.03 105.19 106.69 3mz3 n GLY 206 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3mz3 n GLY 206 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mz3 s PHE 207 N -2.34 3.19 0.28 1.61 5.36 -1.19 -5.00 117.98 119.89 3mz3 s PHE 207 Ca 0.00 -0.45 -0.28 0.00 -0.96 0.00 0.00 56.93 55.24 3mz3 s PHE 207 Cb 0.00 -2.38 -0.14 0.00 -0.34 0.00 0.00 43.02 40.16 3mz3 s PHE 207 CO 0.00 -0.41 0.98 0.34 -1.46 0.00 0.00 175.22 174.67 3mz3 n PHE 208 N 5.01 1.17 1.29 10.12 -0.00 -1.26 -1.08 117.46 132.71 3mz3 n PHE 208 Ca -0.14 0.72 0.10 0.00 -0.00 0.00 0.00 57.45 58.13 3mz3 n PHE 208 Cb 0.49 -2.23 0.37 0.00 -0.00 0.00 0.00 39.48 38.11 3mz3 n PHE 208 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3mz3 n PRO 209 N 0.75 1.64 0.00 -7.13 -0.04 -1.26 -4.55 135.00 124.41 3mz3 n PRO 209 Ca 0.10 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 3mz3 n PRO 209 Cb 0.31 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 3mz3 n PRO 209 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mz3 n GLY 210 N 1.07 2.94 1.73 0.55 0.00 -0.24 -5.00 105.19 106.23 3mz3 n GLY 210 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3mz3 n GLY 210 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mz3 n THR 211 N -2.00 0.00 -2.14 2.61 -2.24 -1.26 -4.85 114.28 104.40 3mz3 n THR 211 Ca 0.00 -0.58 -0.03 0.00 -2.27 0.00 0.00 64.05 61.17 3mz3 n THR 211 Cb 0.00 -1.45 0.02 0.00 -2.10 0.00 0.00 70.33 66.79 3mz3 n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mz3 n GLY 212 N 1.37 -0.22 3.91 3.38 0.00 -1.26 -4.82 105.19 107.54 3mz3 n GLY 212 Ca 0.07 0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3mz3 n GLY 212 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mz3 s ASP 213 N -2.82 6.13 0.53 1.61 3.68 -1.26 -4.55 116.67 119.99 3mz3 s ASP 213 Ca 0.10 0.09 0.39 0.00 2.13 0.00 0.00 52.55 55.26 3mz3 s ASP 213 Cb -0.01 -1.79 1.57 0.00 -1.45 0.00 0.00 42.92 41.24 3mz3 s ASP 213 CO 0.29 0.05 1.72 1.62 0.13 0.00 0.00 175.17 178.97 3mz3 h VAL 214 N 1.73 0.27 -0.29 1.11 3.04 -1.95 0.40 116.25 120.56 3mz3 h VAL 214 Ca -0.48 -0.01 -0.03 0.00 -1.01 0.00 0.00 66.70 65.17 3mz3 h VAL 214 Cb 1.20 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 3mz3 h VAL 214 CO 0.67 0.01 0.07 0.77 -1.01 0.00 0.00 177.57 178.07 3mz3 h SER 215 N 0.03 0.44 -1.64 3.17 4.64 -1.94 -3.44 113.55 114.82 3mz3 h SER 215 Ca 0.71 -0.23 -0.69 0.00 -0.47 0.00 0.00 61.79 61.10 3mz3 h SER 215 Cb 2.72 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 64.70 3mz3 h SER 215 CO -0.06 0.56 1.03 -0.67 -0.87 0.00 0.00 176.83 176.82 3mz3 n ASP 216 N -4.68 2.70 -0.41 4.97 -0.08 0.14 -4.87 116.55 114.32 3mz3 n ASP 216 Ca -0.02 0.96 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 3mz3 n ASP 216 Cb 0.19 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.42 3mz3 n ASP 216 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3mz3 n VAL 217 N 5.12 0.00 -0.76 5.18 0.24 -1.26 -4.42 118.33 122.43 3mz3 n VAL 217 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 3mz3 n VAL 217 Cb 0.19 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 3mz3 n VAL 217 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mz3 n GLY 218 N 0.00 -2.70 0.00 7.63 0.00 -1.26 0.27 105.19 109.13 3mz3 n GLY 218 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3mz3 n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mz3 n LEU 219 N 0.00 0.00 0.00 0.99 7.99 -0.85 -4.56 117.00 120.57 3mz3 n LEU 219 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3mz3 n LEU 219 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3mz3 n LEU 219 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 3mz3 n GLY 220 N 0.00 0.51 0.00 -0.72 0.00 -1.26 -1.01 105.19 102.71 3mz3 n GLY 220 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3mz3 n GLY 220 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3mz3 n LYS 221 N -0.26 0.00 -0.81 1.61 2.85 -1.24 -1.18 118.16 119.13 3mz3 n LYS 221 Ca 0.00 0.40 0.05 0.00 -1.05 0.00 0.00 58.31 57.71 3mz3 n LYS 221 Cb 0.00 -1.57 0.35 0.00 -0.65 0.00 0.00 35.03 33.17 3mz3 n LYS 221 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3mz3 n GLY 222 N -1.39 2.85 3.74 2.58 0.00 -0.18 -4.24 105.19 108.55 3mz3 n GLY 222 Ca 0.00 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 3mz3 n GLY 222 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mz3 s ARG 223 N -2.57 4.35 0.00 1.61 3.52 -0.32 -2.46 118.95 123.07 3mz3 s ARG 223 Ca 0.48 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 58.20 3mz3 s ARG 223 Cb 0.37 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 3mz3 s ARG 223 CO 0.14 -0.32 0.00 0.66 -0.81 0.00 0.00 175.30 174.97 3mz3 n TYR 224 N 2.80 0.00 0.89 5.12 4.01 0.14 -4.85 117.16 125.28 3mz3 n TYR 224 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 3mz3 n TYR 224 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 3mz3 n TYR 224 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3mz3 n TYR 225 N -0.98 0.00 -3.70 -0.72 4.02 -1.03 -4.51 117.16 110.24 3mz3 n TYR 225 Ca 0.00 -0.32 -0.24 0.00 -0.01 0.00 0.00 57.90 57.33 3mz3 n TYR 225 Cb 0.00 -0.19 -0.17 0.00 -0.02 0.00 0.00 39.34 38.95 3mz3 n TYR 225 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3mz3 s SER 226 N 0.69 1.89 0.06 7.72 0.01 -1.23 -2.71 113.70 120.12 3mz3 s SER 226 Ca 0.00 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.00 3mz3 s SER 226 Cb 0.00 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 3mz3 s SER 226 CO 0.00 -0.26 0.01 -0.69 0.41 0.00 0.00 173.24 172.70 3mz3 s VAL 227 N 2.04 4.13 -0.11 3.43 1.01 0.66 -4.20 120.40 127.37 3mz3 s VAL 227 Ca 0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 3mz3 s VAL 227 Cb -0.14 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.37 3mz3 s VAL 227 CO -0.06 0.21 0.23 0.20 0.00 0.00 0.00 175.10 175.68 3mz3 s ASN 228 N -2.05 0.19 -0.77 3.32 0.01 -1.26 -2.53 114.94 111.85 3mz3 s ASN 228 Ca 0.24 0.50 0.02 0.00 -0.71 0.00 0.00 52.86 52.90 3mz3 s ASN 228 Cb -0.12 0.49 0.19 0.00 0.41 0.00 0.00 41.25 42.22 3mz3 s ASN 228 CO 0.16 -0.21 0.61 -0.69 -1.51 0.00 0.00 177.10 175.45 3mz3 s VAL 229 N 1.93 3.56 -0.23 1.60 1.01 -0.35 -3.80 120.40 124.12 3mz3 s VAL 229 Ca -0.03 -3.99 -0.29 0.00 0.00 0.00 0.00 61.98 57.68 3mz3 s VAL 229 Cb -0.11 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3mz3 s VAL 229 CO -0.08 -1.02 1.96 -2.16 0.00 0.00 0.00 175.10 173.79 3mz3 s PRO 230 N -1.29 3.41 0.18 2.72 0.04 -1.26 -3.19 135.00 135.61 3mz3 s PRO 230 Ca 0.25 1.83 0.08 0.00 0.04 0.00 0.00 61.00 63.20 3mz3 s PRO 230 Cb -0.08 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 3mz3 s PRO 230 CO -0.13 -1.77 -0.02 0.42 0.04 0.00 0.00 177.00 175.54 3mz3 s ILE 231 N 6.93 3.62 0.48 0.56 1.01 -1.06 -4.77 121.20 127.97 3mz3 s ILE 231 Ca 0.88 -1.49 0.08 0.00 0.00 0.00 0.00 60.65 60.11 3mz3 s ILE 231 Cb -0.29 -2.82 0.08 0.00 0.01 0.00 0.00 42.46 39.44 3mz3 s ILE 231 CO 0.34 -0.12 0.66 0.00 0.00 0.00 0.00 174.94 175.82 3mz3 n GLN 232 N -0.13 0.65 -0.79 2.79 1.13 -1.26 -1.38 117.38 118.39 3mz3 n GLN 232 Ca -0.10 -2.52 -0.31 0.00 -1.94 0.00 0.00 57.00 52.13 3mz3 n GLN 232 Cb 0.55 -0.21 0.16 0.00 0.11 0.00 0.00 30.24 30.85 3mz3 n GLN 232 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3mz3 s ASP 233 N -3.94 3.11 0.00 1.08 1.01 -1.26 -3.96 116.67 112.72 3mz3 s ASP 233 Ca 0.50 2.10 0.00 0.00 0.71 0.00 0.00 52.55 55.85 3mz3 s ASP 233 Cb -0.04 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3mz3 s ASP 233 CO 0.32 -2.97 0.00 0.61 0.21 0.00 0.00 175.17 173.34 3mz3 n GLY 234 N -0.02 2.58 3.46 0.21 0.00 -0.87 -2.41 105.19 108.15 3mz3 n GLY 234 Ca 0.11 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.53 3mz3 n GLY 234 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3mz3 n ILE 235 N -0.07 0.00 -3.73 -0.61 3.06 -1.25 -4.00 119.36 112.75 3mz3 n ILE 235 Ca 0.00 0.00 -0.26 0.00 -2.50 0.00 0.00 62.75 59.99 3mz3 n ILE 235 Cb 0.00 -0.22 0.01 0.00 0.54 0.00 0.00 39.64 39.98 3mz3 n ILE 235 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 3mz3 s GLN 236 N 1.30 2.23 0.65 9.51 -0.21 -1.26 -2.06 119.66 129.82 3mz3 s GLN 236 Ca 0.93 -2.01 0.23 0.00 0.02 0.00 0.00 55.36 54.53 3mz3 s GLN 236 Cb -1.31 -2.19 1.19 0.00 1.00 0.00 0.00 33.01 31.70 3mz3 s GLN 236 CO 0.65 -0.75 1.66 -0.44 -2.12 0.00 0.00 175.29 174.30 3mz3 h ASP 237 N 0.56 0.00 0.00 5.90 3.32 -1.92 -2.36 116.42 121.92 3mz3 h ASP 237 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3mz3 h ASP 237 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3mz3 h ASP 237 CO 0.53 0.00 0.00 1.21 -1.72 0.00 0.00 179.24 179.26 3mz3 n GLU 238 N -2.97 0.00 -0.18 3.56 4.07 -1.26 -2.49 120.64 121.36 3mz3 n GLU 238 Ca 0.02 0.00 0.30 0.00 -0.06 0.00 0.00 57.16 57.42 3mz3 n GLU 238 Cb 0.65 -0.57 0.69 0.00 -0.06 0.00 0.00 31.44 32.15 3mz3 n GLU 238 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3mz3 h LYS 239 N 0.00 0.00 0.02 5.31 1.57 -1.97 -0.59 116.57 120.91 3mz3 h LYS 239 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mz3 h LYS 239 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3mz3 h LYS 239 CO 0.00 0.00 -0.01 -0.92 -0.57 0.00 0.00 179.45 177.95 3mz3 h TYR 240 N 0.00 -0.03 0.00 -1.35 5.03 -1.55 -2.30 116.97 116.77 3mz3 h TYR 240 Ca 0.44 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.73 3mz3 h TYR 240 Cb 2.07 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 40.35 3mz3 h TYR 240 CO 0.00 0.50 -0.09 -0.92 -1.32 0.00 0.00 178.16 176.33 3mz3 h TYR 241 N -0.58 0.00 0.38 -3.82 -0.00 -0.80 -0.06 116.97 112.09 3mz3 h TYR 241 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 3mz3 h TYR 241 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.28 3mz3 h TYR 241 CO 0.11 0.09 -0.18 1.96 -0.00 0.00 0.00 178.16 180.14 3mz3 h GLN 242 N 0.00 -0.49 -0.70 1.82 4.20 -1.48 -1.85 115.11 116.61 3mz3 h GLN 242 Ca -0.00 0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.87 3mz3 h GLN 242 Cb 0.20 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.00 3mz3 h GLN 242 CO 0.01 -0.25 0.27 0.82 -0.67 0.00 0.00 178.83 179.00 3mz3 h ILE 243 N -1.09 0.69 -0.17 2.54 2.04 -1.19 0.64 117.51 120.98 3mz3 h ILE 243 Ca -0.05 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3mz3 h ILE 243 Cb 0.46 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3mz3 h ILE 243 CO 0.08 0.08 0.03 0.00 0.00 0.00 0.00 178.15 178.34 3mz3 h GLU 245 N 0.06 -0.30 -0.59 0.00 4.81 -0.85 0.10 114.58 117.81 3mz3 h GLU 245 Ca 0.05 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 3mz3 h GLU 245 Cb 0.30 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 3mz3 h GLU 245 CO 0.00 -0.04 0.29 0.66 -0.73 0.00 0.00 179.01 179.19 3mz3 h SER 246 N -0.55 0.40 -0.37 1.04 4.64 -0.94 1.10 113.55 118.87 3mz3 h SER 246 Ca -0.03 0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 3mz3 h SER 246 Cb 0.40 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3mz3 h SER 246 CO 0.05 0.26 -0.04 0.58 -0.87 0.00 0.00 176.83 176.81 3mz3 h VAL 247 N 0.54 1.25 -0.00 0.95 2.07 -1.22 -2.00 116.25 117.83 3mz3 h VAL 247 Ca 0.27 -1.06 -0.16 0.00 0.82 0.00 0.00 66.70 66.57 3mz3 h VAL 247 Cb 0.22 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3mz3 h VAL 247 CO -0.20 0.37 -0.74 -0.07 0.02 0.00 0.00 177.57 176.94 3mz3 h LEU 248 N 0.72 0.02 0.24 2.57 3.38 -0.12 -2.84 115.31 119.26 3mz3 h LEU 248 Ca 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3mz3 h LEU 248 Cb 0.50 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3mz3 h LEU 248 CO 0.03 0.75 -0.34 0.50 0.09 0.00 0.00 178.44 179.47 3mz3 h LYS 249 N 0.01 -0.58 -0.59 1.13 1.63 0.20 0.21 116.57 118.58 3mz3 h LYS 249 Ca -0.01 0.04 0.12 0.00 -0.85 0.00 0.00 60.65 59.95 3mz3 h LYS 249 Cb 1.31 0.13 -0.09 0.00 -0.60 0.00 0.00 32.23 32.99 3mz3 h LYS 249 CO 0.10 -0.38 0.09 0.93 -3.45 0.00 0.00 179.45 176.73 3mz3 h GLU 250 N -0.60 0.20 -0.53 1.90 4.39 -1.51 -2.14 114.58 116.30 3mz3 h GLU 250 Ca -0.03 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 3mz3 h GLU 250 Cb 0.54 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 3mz3 h GLU 250 CO -0.10 0.13 0.16 0.28 -1.16 0.00 0.00 179.01 178.33 3mz3 h VAL 251 N 0.21 1.21 0.00 3.13 2.07 -1.21 -1.09 116.25 120.57 3mz3 h VAL 251 Ca 0.31 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3mz3 h VAL 251 Cb 0.48 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3mz3 h VAL 251 CO -0.43 0.28 0.00 0.22 0.02 0.00 0.00 177.57 177.66 3mz3 h TYR 252 N 0.78 0.00 0.00 1.57 3.20 0.10 -2.23 116.97 120.39 3mz3 h TYR 252 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3mz3 h TYR 252 Cb 0.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3mz3 h TYR 252 CO 0.01 0.00 0.00 1.04 -1.64 0.00 0.00 178.16 177.57 3mz3 n GLN 253 N -3.06 0.00 -0.45 1.82 6.02 -0.83 -2.86 117.38 118.03 3mz3 n GLN 253 Ca -0.01 0.00 0.35 0.00 -0.01 0.00 0.00 57.00 57.33 3mz3 n GLN 253 Cb 0.21 -0.17 0.54 0.00 1.02 0.00 0.00 30.24 31.84 3mz3 n GLN 253 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mz3 n ALA 254 N -1.54 1.25 -0.05 -1.58 0.00 -0.47 -1.18 120.51 116.94 3mz3 n ALA 254 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 3mz3 n ALA 254 Cb 0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 3mz3 n ALA 254 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3mz3 n PHE 255 N -3.25 0.00 -3.49 0.00 7.35 -0.84 -4.52 117.46 112.72 3mz3 n PHE 255 Ca 0.29 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.82 3mz3 n PHE 255 Cb 1.39 -0.40 0.00 0.00 0.35 0.00 0.00 39.48 40.82 3mz3 n PHE 255 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3mz3 n ASN 256 N -2.53 -6.03 -4.71 -2.13 4.05 -0.32 -4.92 115.26 98.66 3mz3 n ASN 256 Ca -0.15 -0.54 -0.30 0.00 0.45 0.00 0.00 54.58 54.03 3mz3 n ASN 256 Cb 0.73 -3.07 0.13 0.00 1.23 0.00 0.00 39.78 38.81 3mz3 n ASN 256 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3mz3 s PRO 257 N -4.02 1.47 -0.19 1.20 0.04 -1.26 -4.94 135.00 127.30 3mz3 s PRO 257 Ca 0.04 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.14 3mz3 s PRO 257 Cb -0.01 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.63 3mz3 s PRO 257 CO 0.84 -2.18 -0.22 1.63 0.04 0.00 0.00 177.00 177.11 3mz3 n LYS 258 N -3.88 0.43 -4.55 4.56 4.01 0.83 -5.02 118.16 114.55 3mz3 n LYS 258 Ca 0.09 0.16 -0.26 0.00 -0.51 0.00 0.00 58.31 57.79 3mz3 n LYS 258 Cb 0.54 -1.26 -0.11 0.00 -0.51 0.00 0.00 35.03 33.69 3mz3 n LYS 258 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3mz3 s ALA 259 N -2.36 2.87 -0.05 7.82 0.00 -1.10 -3.89 121.76 125.05 3mz3 s ALA 259 Ca -0.27 -2.18 -0.03 0.00 0.00 0.00 0.00 51.96 49.49 3mz3 s ALA 259 Cb 0.09 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.50 3mz3 s ALA 259 CO 0.37 -0.13 0.11 0.08 0.00 0.00 0.00 175.76 176.20 3mz3 s VAL 260 N -2.86 -0.03 -0.25 0.00 1.01 0.67 -1.77 120.40 117.16 3mz3 s VAL 260 Ca 0.34 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.47 3mz3 s VAL 260 Cb 0.08 -0.19 0.06 0.00 0.00 0.00 0.00 36.38 36.34 3mz3 s VAL 260 CO 0.17 0.05 -0.08 -0.69 0.00 0.00 0.00 175.10 174.55 3mz3 s VAL 261 N 0.76 1.90 -0.25 2.92 1.01 0.26 0.09 120.40 127.09 3mz3 s VAL 261 Ca -0.06 -1.50 -0.07 0.00 0.00 0.00 0.00 61.98 60.35 3mz3 s VAL 261 Cb -0.08 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3mz3 s VAL 261 CO -0.03 -0.09 0.06 -0.22 0.00 0.00 0.00 175.10 174.82 3mz3 s LEU 262 N 1.21 3.45 -0.26 3.92 2.96 -0.60 -0.28 118.68 129.07 3mz3 s LEU 262 Ca -0.07 -0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 53.40 3mz3 s LEU 262 Cb -0.19 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3mz3 s LEU 262 CO -0.06 -0.06 0.39 -1.58 -1.32 0.00 0.00 176.35 173.73 3mz3 s GLN 263 N 1.59 4.04 -0.67 1.98 -0.44 0.28 -1.22 119.66 125.21 3mz3 s GLN 263 Ca 0.06 0.09 0.04 0.00 -2.50 0.00 0.00 55.36 53.06 3mz3 s GLN 263 Cb -0.15 -3.65 0.30 0.00 -1.64 0.00 0.00 33.01 27.88 3mz3 s GLN 263 CO 0.03 -0.27 0.99 1.28 0.50 0.00 0.00 175.29 177.82 3mz3 n LEU 264 N 5.29 4.62 -4.76 3.68 4.77 0.44 -0.51 117.00 130.54 3mz3 n LEU 264 Ca -0.08 -5.55 -0.41 0.00 -0.03 0.00 0.00 56.01 49.94 3mz3 n LEU 264 Cb 0.51 -0.70 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 3mz3 n LEU 264 CO 0.38 2.19 1.16 -0.83 -1.33 0.00 0.00 177.39 178.96 3mz3 s GLY 265 N -2.84 2.50 -0.25 -0.72 0.00 -1.17 -4.62 107.32 100.21 3mz3 s GLY 265 Ca 0.44 1.50 0.10 0.00 0.00 0.00 0.00 44.72 46.76 3mz3 s GLY 265 CO -0.08 2.35 1.64 0.00 0.00 0.00 0.00 173.10 177.02 3mz3 n ALA 266 N 1.53 4.06 -0.29 3.20 0.00 -0.58 -4.25 120.51 124.18 3mz3 n ALA 266 Ca 0.05 -1.87 -0.04 0.00 0.00 0.00 0.00 53.44 51.58 3mz3 n ALA 266 Cb 0.39 -1.18 0.20 0.00 0.00 0.00 0.00 19.45 18.86 3mz3 n ALA 266 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mz3 n ASP 267 N 0.22 3.80 -0.09 0.00 5.75 -1.26 -3.03 116.55 121.95 3mz3 n ASP 267 Ca 0.31 -2.77 0.01 0.00 -0.01 0.00 0.00 54.79 52.33 3mz3 n ASP 267 Cb 1.19 -0.66 0.01 0.00 -1.03 0.00 0.00 41.12 40.63 3mz3 n ASP 267 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3mz3 n THR 268 N 0.01 0.21 -3.24 2.12 -2.24 -1.26 -4.62 114.28 105.25 3mz3 n THR 268 Ca 0.26 -0.61 -0.40 0.00 -2.27 0.00 0.00 64.05 61.04 3mz3 n THR 268 Cb 1.02 0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 70.10 3mz3 n THR 268 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3mz3 s ILE 269 N -0.34 5.08 -0.12 2.28 -1.09 -1.17 -1.82 121.20 124.02 3mz3 s ILE 269 Ca 0.03 0.88 -0.36 0.00 -2.23 0.00 0.00 60.65 58.97 3mz3 s ILE 269 Cb 0.02 -3.82 -0.17 0.00 -1.58 0.00 0.00 42.46 36.90 3mz3 s ILE 269 CO 0.03 0.11 1.05 0.00 -1.23 0.00 0.00 174.94 174.89 3mz3 n ALA 270 N 5.38 -2.63 0.00 9.38 0.00 0.78 -1.18 120.51 132.24 3mz3 n ALA 270 Ca -0.04 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3mz3 n ALA 270 Cb 0.50 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3mz3 n ALA 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mz3 n GLY 271 N 1.89 3.52 3.35 0.00 0.00 -1.26 -4.84 105.19 107.85 3mz3 n GLY 271 Ca 0.20 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 3mz3 n GLY 271 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mz3 n ASP 272 N 0.00 -2.47 0.12 1.61 2.03 -0.33 -4.83 116.55 112.68 3mz3 n ASP 272 Ca 0.00 0.66 0.13 0.00 0.52 0.00 0.00 54.79 56.10 3mz3 n ASP 272 Cb 0.00 -1.01 0.39 0.00 -0.72 0.00 0.00 41.12 39.78 3mz3 n ASP 272 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3mz3 h PRO 273 N 0.00 0.00 -0.08 -0.67 0.13 -1.92 -2.69 132.00 126.77 3mz3 h PRO 273 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 3mz3 h PRO 273 Cb 1.41 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.54 3mz3 h PRO 273 CO 0.43 0.00 0.19 1.98 -0.23 0.00 0.00 178.00 180.37 3mz3 h MET 274 N 0.00 0.00 -6.79 0.86 4.05 -1.90 -3.45 114.93 107.71 3mz3 h MET 274 Ca 0.00 0.00 -0.49 0.00 -0.28 0.00 0.00 59.70 58.93 3mz3 h MET 274 Cb 0.74 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.41 3mz3 h MET 274 CO 0.00 0.00 -0.79 0.00 0.23 0.00 0.00 176.91 176.35 3mz3 n SER 276 N -2.03 0.00 -2.80 0.00 2.88 -1.26 -5.00 113.62 105.40 3mz3 n SER 276 Ca -0.21 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.28 3mz3 n SER 276 Cb 0.53 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.03 3mz3 n SER 276 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3mz3 n PHE 277 N -0.73 -2.82 -2.70 0.66 0.99 -1.26 -2.04 117.46 109.56 3mz3 n PHE 277 Ca 0.00 -0.14 -0.05 0.00 -0.00 0.00 0.00 57.45 57.25 3mz3 n PHE 277 Cb 0.00 -0.18 0.10 0.00 -1.00 0.00 0.00 39.48 38.40 3mz3 n PHE 277 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3mz3 n ASN 278 N -3.35 -0.83 -3.22 4.37 5.15 -0.87 -4.53 115.26 111.98 3mz3 n ASN 278 Ca 0.02 -2.40 -0.16 0.00 -0.60 0.00 0.00 54.58 51.44 3mz3 n ASN 278 Cb 0.09 0.50 0.11 0.00 -0.53 0.00 0.00 39.78 39.95 3mz3 n ASN 278 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3mz3 n MET 279 N -0.75 -0.53 -3.97 1.20 2.81 -0.75 -4.38 117.12 110.75 3mz3 n MET 279 Ca -0.04 -1.32 -0.09 0.00 -1.81 0.00 0.00 57.70 54.45 3mz3 n MET 279 Cb 0.85 -0.71 -0.08 0.00 -0.71 0.00 0.00 33.22 32.57 3mz3 n MET 279 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3mz3 s THR 280 N -2.47 0.12 -0.03 2.03 -4.23 -1.26 -0.16 115.64 109.64 3mz3 s THR 280 Ca 0.43 -1.45 0.20 0.00 -1.18 0.00 0.00 61.69 59.69 3mz3 s THR 280 Cb -0.01 -1.63 0.20 0.00 1.34 0.00 0.00 72.50 72.39 3mz3 s THR 280 CO 0.30 -0.56 1.56 -0.65 -0.54 0.00 0.00 174.62 174.73 3mz3 h PRO 281 N 2.76 0.00 0.09 3.99 0.11 -1.90 -2.80 132.00 134.25 3mz3 h PRO 281 Ca -0.33 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 3mz3 h PRO 281 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3mz3 h PRO 281 CO 0.56 0.00 -0.04 0.28 -0.21 0.00 0.00 178.00 178.58 3mz3 h VAL 282 N 0.00 1.16 -0.15 3.15 2.07 -1.95 -1.08 116.25 119.45 3mz3 h VAL 282 Ca 0.00 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.30 3mz3 h VAL 282 Cb 0.27 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 3mz3 h VAL 282 CO 0.00 0.29 -0.16 1.23 0.02 0.00 0.00 177.57 178.96 3mz3 h GLY 283 N -0.73 -0.07 2.00 2.17 0.00 -1.80 0.14 103.07 104.78 3mz3 h GLY 283 Ca -0.01 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3mz3 h GLY 283 CO 0.02 -0.16 -0.03 -2.22 0.00 0.00 0.00 176.54 174.15 3mz3 h ILE 284 N -0.18 0.98 -0.36 2.60 5.03 -1.65 -1.83 117.51 122.09 3mz3 h ILE 284 Ca 0.10 -0.11 -0.12 0.00 -0.12 0.00 0.00 64.86 64.61 3mz3 h ILE 284 Cb 0.33 1.06 -0.01 0.00 -3.03 0.00 0.00 36.82 35.17 3mz3 h ILE 284 CO -0.26 0.03 -0.26 1.23 -0.68 0.00 0.00 178.15 178.21 3mz3 h GLY 285 N 0.10 0.81 0.99 5.37 0.00 0.56 -1.94 103.07 108.97 3mz3 h GLY 285 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3mz3 h GLY 285 CO 0.00 0.65 0.05 0.50 0.00 0.00 0.00 176.54 177.74 3mz3 h LYS 286 N 0.65 0.09 -0.45 4.80 1.57 -0.17 0.28 116.57 123.34 3mz3 h LYS 286 Ca 0.08 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3mz3 h LYS 286 Cb 0.78 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 3mz3 h LYS 286 CO 0.06 0.06 0.18 0.00 -0.57 0.00 0.00 179.45 179.18 3mz3 h LEU 288 N 0.36 0.84 0.31 0.00 5.85 -0.84 -0.15 115.31 121.66 3mz3 h LEU 288 Ca 0.21 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3mz3 h LEU 288 Cb 0.18 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3mz3 h LEU 288 CO -0.20 0.60 -0.15 0.11 -0.34 0.00 0.00 178.44 178.46 3mz3 h LYS 289 N 0.99 -0.40 -0.84 1.25 1.57 0.49 0.26 116.57 119.89 3mz3 h LYS 289 Ca 0.28 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.24 3mz3 h LYS 289 Cb -0.08 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 3mz3 h LYS 289 CO -0.08 -0.23 0.55 -0.92 -0.57 0.00 0.00 179.45 178.21 3mz3 h TYR 290 N -0.46 0.68 0.19 -1.35 3.20 -0.22 -0.80 116.97 118.21 3mz3 h TYR 290 Ca -0.04 0.02 -0.31 0.00 3.14 0.00 0.00 58.73 61.54 3mz3 h TYR 290 Cb 0.35 -0.21 0.03 0.00 1.54 0.00 0.00 36.73 38.43 3mz3 h TYR 290 CO -0.04 0.25 -1.37 0.82 -1.64 0.00 0.00 178.16 176.18 3mz3 h ILE 291 N 0.57 1.35 -0.31 1.81 2.04 -0.78 -3.27 117.51 118.92 3mz3 h ILE 291 Ca 0.42 -2.76 -0.04 0.00 1.00 0.00 0.00 64.86 63.49 3mz3 h ILE 291 Cb 0.81 2.95 -0.02 0.00 -0.74 0.00 0.00 36.82 39.82 3mz3 h ILE 291 CO -0.17 0.82 0.01 -0.07 0.00 0.00 0.00 178.15 178.74 3mz3 h LEU 292 N 0.15 0.43 0.00 1.44 3.38 -0.29 -2.83 115.31 117.59 3mz3 h LEU 292 Ca -0.21 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3mz3 h LEU 292 Cb 2.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.70 3mz3 h LEU 292 CO 0.25 0.48 0.00 1.67 0.09 0.00 0.00 178.44 180.93 3mz3 n GLN 293 N -4.31 0.31 0.00 1.13 0.00 -0.37 -1.35 117.38 112.80 3mz3 n GLN 293 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.00 57.12 3mz3 n GLN 293 Cb 0.22 -1.12 -0.10 0.00 0.00 0.00 0.00 30.24 29.24 3mz3 n GLN 293 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 3mz3 n TRP 294 N -0.62 0.04 -1.29 3.69 8.01 -1.07 -4.97 117.44 121.23 3mz3 n TRP 294 Ca 0.02 0.01 -0.10 0.00 -1.31 0.00 0.00 57.50 56.12 3mz3 n TRP 294 Cb 0.01 -0.20 -0.04 0.00 -2.01 0.00 0.00 31.31 29.07 3mz3 n TRP 294 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3mz3 n GLN 295 N -1.76 -1.56 -2.13 -0.99 3.00 -0.46 -4.99 117.38 108.49 3mz3 n GLN 295 Ca 0.02 0.83 -0.29 0.00 -0.01 0.00 0.00 57.00 57.54 3mz3 n GLN 295 Cb 0.41 -5.16 0.02 0.00 0.00 0.00 0.00 30.24 25.51 3mz3 n GLN 295 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3mz3 s LEU 296 N -2.26 3.22 0.29 1.08 1.43 -1.26 -4.97 118.68 116.21 3mz3 s LEU 296 Ca 0.00 1.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.90 3mz3 s LEU 296 Cb 0.00 -4.02 -0.12 0.00 0.03 0.00 0.00 46.19 42.08 3mz3 s LEU 296 CO 0.00 -0.98 1.54 0.00 0.23 0.00 0.00 176.35 177.15 3mz3 n ALA 297 N -2.69 2.24 -3.89 4.21 0.00 -1.25 -4.82 120.51 114.32 3mz3 n ALA 297 Ca 0.05 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.60 3mz3 n ALA 297 Cb 0.56 -2.42 -0.17 0.00 0.00 0.00 0.00 19.45 17.42 3mz3 n ALA 297 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mz3 s THR 298 N -0.15 0.97 -0.36 0.00 2.01 -0.10 -0.24 115.64 117.76 3mz3 s THR 298 Ca 0.63 -0.25 -0.13 0.00 0.31 0.00 0.00 61.69 62.25 3mz3 s THR 298 Cb -0.52 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 70.99 3mz3 s THR 298 CO 0.51 0.36 0.25 -0.22 -0.69 0.00 0.00 174.62 174.83 3mz3 s LEU 299 N 1.72 4.71 -0.20 4.42 2.96 0.11 -1.40 118.68 131.00 3mz3 s LEU 299 Ca 0.05 -0.61 -0.17 0.00 -0.22 0.00 0.00 54.13 53.17 3mz3 s LEU 299 Cb -0.13 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 3mz3 s LEU 299 CO -0.08 -0.31 0.48 -0.63 -1.32 0.00 0.00 176.35 174.49 3mz3 s ILE 300 N 1.70 5.14 0.13 6.68 -1.09 0.46 -1.56 121.20 132.65 3mz3 s ILE 300 Ca 0.05 0.86 0.09 0.00 -2.23 0.00 0.00 60.65 59.43 3mz3 s ILE 300 Cb -0.18 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 3mz3 s ILE 300 CO 0.10 0.20 -0.22 -0.76 -1.23 0.00 0.00 174.94 173.03 3mz3 s LEU 301 N 1.57 2.34 0.00 2.97 1.43 -0.36 -0.86 118.68 125.78 3mz3 s LEU 301 Ca 0.22 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3mz3 s LEU 301 Cb -0.15 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.09 3mz3 s LEU 301 CO 0.09 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.35 3mz3 n GLY 302 N 0.83 0.58 0.00 -3.19 0.00 0.18 -0.42 105.19 103.17 3mz3 n GLY 302 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3mz3 n GLY 302 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mz3 n GLY 303 N 4.80 0.14 3.24 -0.02 0.00 -0.74 -3.06 105.19 109.55 3mz3 n GLY 303 Ca 0.00 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 3mz3 n GLY 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mz3 n GLY 304 N 0.00 -2.92 0.00 -0.02 0.00 -1.26 -4.74 105.19 96.25 3mz3 n GLY 304 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3mz3 n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mz3 n GLY 305 N 2.33 0.58 1.01 -0.02 0.00 -1.26 -1.52 105.19 106.32 3mz3 n GLY 305 Ca 0.02 0.40 0.10 0.00 0.00 0.00 0.00 46.02 46.55 3mz3 n GLY 305 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mz3 n TYR 306 N 0.00 0.47 -3.62 1.61 4.02 -1.26 -4.57 117.16 113.81 3mz3 n TYR 306 Ca 0.00 -0.28 -0.37 0.00 -0.01 0.00 0.00 57.90 57.24 3mz3 n TYR 306 Cb 0.00 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.25 3mz3 n TYR 306 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3mz3 s ASN 307 N -1.31 6.02 0.15 7.72 3.84 -1.26 -4.60 114.94 125.50 3mz3 s ASN 307 Ca 0.34 -3.58 -0.15 0.00 0.21 0.00 0.00 52.86 49.68 3mz3 s ASN 307 Cb 0.20 -1.93 0.12 0.00 -0.55 0.00 0.00 41.25 39.08 3mz3 s ASN 307 CO 0.27 -0.22 1.13 0.18 -2.79 0.00 0.00 177.10 175.67 3mz3 n LEU 308 N 2.55 -0.55 0.16 3.21 4.77 -1.26 0.90 117.00 126.78 3mz3 n LEU 308 Ca 0.20 1.28 -0.11 0.00 -0.03 0.00 0.00 56.01 57.35 3mz3 n LEU 308 Cb 0.38 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3mz3 n LEU 308 CO 0.37 -1.12 0.51 0.00 -1.33 0.00 0.00 177.39 175.82 3mz3 h ALA 309 N 0.84 -0.97 -0.97 -1.18 0.00 -1.93 -2.09 119.26 112.97 3mz3 h ALA 309 Ca 0.22 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.21 3mz3 h ALA 309 Cb 0.40 0.58 -0.11 0.00 0.00 0.00 0.00 17.79 18.66 3mz3 h ALA 309 CO -0.71 -1.00 0.56 -0.91 0.00 0.00 0.00 179.25 177.18 3mz3 h ASN 310 N -0.60 0.68 -0.40 0.00 4.21 -1.02 -1.72 115.58 116.74 3mz3 h ASN 310 Ca -0.03 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.59 3mz3 h ASN 310 Cb 0.53 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.70 3mz3 h ASN 310 CO -0.06 0.22 0.27 0.74 -1.29 0.00 0.00 177.43 177.30 3mz3 h THR 311 N 0.68 1.10 -0.76 2.81 2.02 0.84 -0.59 112.91 119.02 3mz3 h THR 311 Ca 0.57 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.55 3mz3 h THR 311 Cb 0.91 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3mz3 h THR 311 CO -0.41 0.10 0.43 0.00 0.37 0.00 0.00 175.52 176.01 3mz3 h ALA 312 N 1.15 0.97 -0.47 6.16 0.00 -0.64 -1.74 119.26 124.67 3mz3 h ALA 312 Ca 0.15 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3mz3 h ALA 312 Cb -0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.38 3mz3 h ALA 312 CO -0.03 0.46 0.20 0.00 0.00 0.00 0.00 179.25 179.88 3mz3 h ARG 313 N 1.04 0.38 -0.20 0.00 3.08 -0.76 0.18 114.38 118.10 3mz3 h ARG 313 Ca 0.27 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 3mz3 h ARG 313 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3mz3 h ARG 313 CO -0.05 0.25 0.03 0.00 -1.07 0.00 0.00 179.97 179.13 3mz3 h TRP 315 N 0.13 0.81 -0.19 0.00 6.55 -1.21 -1.52 115.95 120.52 3mz3 h TRP 315 Ca 0.06 -0.36 -0.00 0.00 0.95 0.00 0.00 58.89 59.54 3mz3 h TRP 315 Cb 0.32 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.49 3mz3 h TRP 315 CO 0.02 1.16 0.12 1.15 -1.05 0.00 0.00 178.44 179.83 3mz3 h THR 316 N 0.40 1.08 -0.10 1.49 2.02 -0.98 0.70 112.91 117.53 3mz3 h THR 316 Ca -0.04 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3mz3 h THR 316 Cb 1.37 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 3mz3 h THR 316 CO 0.14 0.08 0.03 0.22 0.37 0.00 0.00 175.52 176.37 3mz3 h TYR 317 N 0.23 0.13 0.03 3.16 3.20 -1.18 0.14 116.97 122.69 3mz3 h TYR 317 Ca 0.07 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.71 3mz3 h TYR 317 Cb 0.03 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3mz3 h TYR 317 CO -0.05 0.11 -1.00 -0.07 -1.64 0.00 0.00 178.16 175.51 3mz3 h LEU 318 N 0.14 0.49 -1.26 2.82 3.38 -0.11 -2.53 115.31 118.23 3mz3 h LEU 318 Ca 0.04 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3mz3 h LEU 318 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3mz3 h LEU 318 CO -0.00 1.24 -0.18 0.74 0.09 0.00 0.00 178.44 180.32 3mz3 h THR 319 N 0.18 1.21 0.00 0.22 2.02 0.15 -1.18 112.91 115.52 3mz3 h THR 319 Ca -0.09 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.06 3mz3 h THR 319 Cb 1.66 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 3mz3 h THR 319 CO 0.17 0.30 -0.33 1.23 0.37 0.00 0.00 175.52 177.26 3mz3 h GLY 320 N 0.87 0.00 0.98 2.16 0.00 -0.48 -1.59 103.07 105.01 3mz3 h GLY 320 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.03 3mz3 h GLY 320 CO 0.03 0.00 -1.71 -0.39 0.00 0.00 0.00 176.54 174.47 3mz3 h VAL 321 N 0.00 0.99 -0.85 4.60 -1.51 -0.97 0.01 116.25 118.51 3mz3 h VAL 321 Ca -0.00 -2.56 0.11 0.00 -1.23 0.00 0.00 66.70 63.02 3mz3 h VAL 321 Cb 0.64 2.79 -0.06 0.00 -2.13 0.00 0.00 31.29 32.53 3mz3 h VAL 321 CO 0.04 0.85 0.55 0.40 -1.23 0.00 0.00 177.57 178.19 3mz3 h ILE 322 N 0.11 0.93 -0.03 7.19 2.04 -1.13 0.44 117.51 127.06 3mz3 h ILE 322 Ca -0.33 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3mz3 h ILE 322 Cb 2.10 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3mz3 h ILE 322 CO 0.19 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.66 3mz3 n LEU 323 N -4.53 1.35 0.00 1.44 4.77 -0.61 -4.93 117.00 114.49 3mz3 n LEU 323 Ca 0.15 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3mz3 n LEU 323 Cb 0.35 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3mz3 n LEU 323 CO 0.31 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3mz3 n GLY 324 N 1.15 0.25 3.79 -0.72 0.00 0.15 -4.98 105.19 104.85 3mz3 n GLY 324 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3mz3 n GLY 324 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mz3 s LYS 325 N -0.88 0.61 -0.35 1.61 -0.14 -0.06 -4.95 119.74 115.58 3mz3 s LYS 325 Ca 0.00 0.03 0.01 0.00 -1.36 0.00 0.00 55.97 54.65 3mz3 s LYS 325 Cb 0.00 -1.80 0.11 0.00 -1.68 0.00 0.00 37.83 34.46 3mz3 s LYS 325 CO 0.00 -2.51 0.12 0.99 -0.76 0.00 0.00 175.35 173.19 3mz3 s THR 326 N -3.40 1.37 0.57 2.17 2.01 -1.26 -4.49 115.64 112.60 3mz3 s THR 326 Ca 0.68 -1.89 -0.20 0.00 0.31 0.00 0.00 61.69 60.58 3mz3 s THR 326 Cb -0.11 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 3mz3 s THR 326 CO 0.53 -0.70 1.25 -0.76 -0.69 0.00 0.00 174.62 174.25 3mz3 s LEU 327 N 1.16 3.75 0.30 4.42 1.43 -1.26 -4.97 118.68 123.51 3mz3 s LEU 327 Ca 0.12 2.49 -0.30 0.00 -1.03 0.00 0.00 54.13 55.41 3mz3 s LEU 327 Cb -0.19 -4.47 -0.12 0.00 0.03 0.00 0.00 46.19 41.44 3mz3 s LEU 327 CO -0.16 -1.53 1.48 -0.24 0.23 0.00 0.00 176.35 176.13 3mz3 n SER 328 N -1.32 3.35 0.17 2.29 2.88 -1.26 -4.91 113.62 114.82 3mz3 n SER 328 Ca 0.12 1.17 0.03 0.00 -1.33 0.00 0.00 58.87 58.86 3mz3 n SER 328 Cb 0.48 -1.53 0.29 0.00 -0.75 0.00 0.00 64.21 62.70 3mz3 n SER 328 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3mz3 h SER 329 N 4.02 0.00 -3.40 -3.46 0.87 -1.98 -3.43 113.55 106.16 3mz3 h SER 329 Ca -0.47 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.54 3mz3 h SER 329 Cb 1.25 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.17 3mz3 h SER 329 CO 0.74 0.45 0.09 -1.61 -0.53 0.00 0.00 176.83 175.96 3mz3 s GLU 330 N -3.72 4.41 -0.41 2.24 0.41 -1.26 -1.22 118.70 119.16 3mz3 s GLU 330 Ca -0.01 0.97 -0.29 0.00 -0.41 0.00 0.00 54.97 55.23 3mz3 s GLU 330 Cb 0.12 -3.27 0.02 0.00 -1.78 0.00 0.00 34.13 29.23 3mz3 s GLU 330 CO 0.72 0.56 1.19 0.42 -0.49 0.00 0.00 175.26 177.66 3mz3 s ILE 331 N -1.00 4.22 0.57 -1.63 -1.09 -0.60 -4.78 121.20 116.90 3mz3 s ILE 331 Ca 0.33 1.31 -0.20 0.00 -2.23 0.00 0.00 60.65 59.86 3mz3 s ILE 331 Cb -0.21 -4.44 -0.06 0.00 -1.58 0.00 0.00 42.46 36.17 3mz3 s ILE 331 CO 0.23 -0.78 1.01 -2.65 -1.23 0.00 0.00 174.94 171.52 3mz3 n PRO 332 N 7.58 1.05 -2.39 2.79 -0.02 -1.26 -4.92 135.00 137.83 3mz3 n PRO 332 Ca 0.13 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 3mz3 n PRO 332 Cb 0.48 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 3mz3 n PRO 332 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3mz3 s ASP 333 N -1.14 7.11 0.37 2.55 3.68 -1.26 -4.82 116.67 123.15 3mz3 s ASP 333 Ca 0.73 2.23 -0.12 0.00 2.13 0.00 0.00 52.55 57.52 3mz3 s ASP 333 Cb -0.44 -2.61 0.04 0.00 -1.45 0.00 0.00 42.92 38.47 3mz3 s ASP 333 CO 0.49 -0.35 0.70 -1.38 0.13 0.00 0.00 175.17 174.76 3mz3 s HIS 334 N -0.14 0.36 0.29 -5.34 -3.43 -1.26 -4.97 115.29 100.80 3mz3 s HIS 334 Ca 0.52 -0.91 0.01 0.00 -0.80 0.00 0.00 55.06 53.88 3mz3 s HIS 334 Cb -0.32 0.57 0.70 0.00 -1.43 0.00 0.00 32.58 32.11 3mz3 s HIS 334 CO 0.37 -1.43 1.61 1.49 -2.00 0.00 0.00 174.74 174.78 3mz3 h GLU 335 N 2.03 0.09 -0.64 -0.38 4.81 -1.94 0.69 114.58 119.23 3mz3 h GLU 335 Ca -0.30 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3mz3 h GLU 335 Cb 1.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3mz3 h GLU 335 CO 0.39 0.06 0.00 1.19 -0.73 0.00 0.00 179.01 179.92 3mz3 n PHE 336 N -5.36 1.12 -0.47 0.92 3.72 -1.26 -4.58 117.46 111.55 3mz3 n PHE 336 Ca 0.21 -0.48 0.41 0.00 -0.05 0.00 0.00 57.45 57.54 3mz3 n PHE 336 Cb 0.70 -0.13 0.75 0.00 -0.94 0.00 0.00 39.48 39.87 3mz3 n PHE 336 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3mz3 h PHE 337 N 3.66 0.10 -0.94 1.38 3.04 -1.17 0.33 116.94 123.34 3mz3 h PHE 337 Ca 0.00 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.01 3mz3 h PHE 337 Cb 1.11 -0.03 -0.06 0.00 2.56 0.00 0.00 35.95 39.54 3mz3 h PHE 337 CO 0.57 -0.02 0.61 1.15 -2.02 0.00 0.00 178.31 178.61 3mz3 h THR 338 N 0.04 1.10 0.00 4.41 2.02 -1.81 -2.91 112.91 115.75 3mz3 h THR 338 Ca 0.72 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.52 3mz3 h THR 338 Cb 2.78 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3mz3 h THR 338 CO -0.07 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.02 3mz3 n ALA 339 N -2.39 2.27 -0.71 6.16 0.00 0.11 -3.41 120.51 122.53 3mz3 n ALA 339 Ca 0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 3mz3 n ALA 339 Cb 0.17 -1.37 0.27 0.00 0.00 0.00 0.00 19.45 18.52 3mz3 n ALA 339 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mz3 n TYR 340 N -1.13 2.08 -1.22 0.00 4.02 -1.10 -4.78 117.16 115.03 3mz3 n TYR 340 Ca 0.14 -0.99 -0.30 0.00 -0.01 0.00 0.00 57.90 56.74 3mz3 n TYR 340 Cb 0.12 -0.60 0.13 0.00 -0.02 0.00 0.00 39.34 38.98 3mz3 n TYR 340 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3mz3 s GLY 341 N -0.76 1.62 -0.21 2.72 0.00 -1.22 -1.00 107.32 108.47 3mz3 s GLY 341 Ca 0.47 -0.05 0.15 0.00 0.00 0.00 0.00 44.72 45.29 3mz3 s GLY 341 CO 0.12 0.43 1.61 -1.55 0.00 0.00 0.00 173.10 173.71 3mz3 n PRO 342 N -3.85 4.06 -0.02 2.90 -0.05 -1.26 -4.69 135.00 132.10 3mz3 n PRO 342 Ca 0.07 -3.03 -0.02 0.00 -0.05 0.00 0.00 63.50 60.47 3mz3 n PRO 342 Cb 0.55 -2.09 -0.03 0.00 -0.05 0.00 0.00 33.50 31.89 3mz3 n PRO 342 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3mz3 n ASP 343 N 0.15 3.98 -3.50 3.54 8.00 -1.23 -5.05 116.55 122.44 3mz3 n ASP 343 Ca 0.25 -0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.56 3mz3 n ASP 343 Cb 1.07 0.38 0.08 0.00 -0.02 0.00 0.00 41.12 42.62 3mz3 n ASP 343 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3mz3 n TYR 344 N -2.29 -2.13 -4.18 1.24 4.01 -0.17 -4.94 117.16 108.69 3mz3 n TYR 344 Ca -0.06 0.92 -0.17 0.00 -0.16 0.00 0.00 57.90 58.42 3mz3 n TYR 344 Cb 0.60 -4.92 -0.12 0.00 -0.31 0.00 0.00 39.34 34.59 3mz3 n TYR 344 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3mz3 s VAL 345 N -3.43 0.94 -1.08 -0.72 -7.23 -1.26 -1.55 120.40 106.06 3mz3 s VAL 345 Ca 0.01 -1.13 0.13 0.00 -1.81 0.00 0.00 61.98 59.18 3mz3 s VAL 345 Cb -0.00 -0.91 0.13 0.00 0.56 0.00 0.00 36.38 36.16 3mz3 s VAL 345 CO 0.75 -0.20 1.41 -0.11 -0.31 0.00 0.00 175.10 176.65 3mz3 n LEU 346 N 1.54 0.00 -4.93 1.32 7.94 -0.36 -4.82 117.00 117.69 3mz3 n LEU 346 Ca -0.21 0.46 -0.29 0.00 -1.11 0.00 0.00 56.01 54.87 3mz3 n LEU 346 Cb 0.55 -0.46 -0.04 0.00 0.53 0.00 0.00 43.42 44.00 3mz3 n LEU 346 CO 0.22 -0.25 -0.12 -1.61 -1.11 0.00 0.00 177.39 174.52 3mz3 s GLU 347 N -2.92 3.44 -0.08 1.96 8.01 -1.26 -4.79 118.70 123.06 3mz3 s GLU 347 Ca 0.08 -0.50 0.03 0.00 0.01 0.00 0.00 54.97 54.59 3mz3 s GLU 347 Cb 0.09 -3.00 -0.02 0.00 -4.31 0.00 0.00 34.13 26.89 3mz3 s GLU 347 CO 0.24 0.56 -0.17 0.42 0.01 0.00 0.00 175.26 176.32 3mz3 s ILE 348 N -1.62 2.74 -0.22 -1.63 1.01 -1.26 -5.09 121.20 115.14 3mz3 s ILE 348 Ca 0.35 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 3mz3 s ILE 348 Cb -0.12 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 3mz3 s ILE 348 CO 0.28 0.56 0.12 -0.89 0.00 0.00 0.00 174.94 175.02 3mz3 s THR 349 N -0.16 5.18 0.27 2.92 2.01 -1.26 -4.83 115.64 119.76 3mz3 s THR 349 Ca -0.02 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 3mz3 s THR 349 Cb -0.14 -3.38 -0.14 0.00 0.01 0.00 0.00 72.50 68.85 3mz3 s THR 349 CO 0.03 0.39 0.99 -2.65 -0.69 0.00 0.00 174.62 172.70 3mz3 n PRO 350 N 3.97 1.25 -1.92 4.92 -0.02 -1.26 -4.86 135.00 137.07 3mz3 n PRO 350 Ca -0.16 0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 61.39 3mz3 n PRO 350 Cb 0.52 -1.79 0.03 0.00 -0.02 0.00 0.00 33.50 32.24 3mz3 n PRO 350 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3mz3 s SER 351 N -0.54 5.29 -0.67 2.55 0.01 -1.26 -4.87 113.70 114.21 3mz3 s SER 351 Ca 0.60 2.56 -0.07 0.00 1.31 0.00 0.00 55.95 60.34 3mz3 s SER 351 Cb -0.73 -2.62 -0.19 0.00 0.21 0.00 0.00 66.02 62.70 3mz3 s SER 351 CO 0.59 -1.54 3.26 0.00 0.41 0.00 0.00 173.24 175.96 3mz3 s ARG 353 N 1.58 0.78 0.35 0.00 1.70 -1.26 -5.16 118.95 116.94 3mz3 s ARG 353 Ca 0.66 -1.13 -0.01 0.00 -0.47 0.00 0.00 55.73 54.78 3mz3 s ARG 353 Cb 0.25 -0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.25 3mz3 s ARG 353 CO -0.02 0.05 0.03 -0.35 -1.08 0.00 0.00 175.30 173.93 3mz3 n PRO 354 N 0.56 1.64 -3.24 3.89 -0.04 -1.26 -4.97 135.00 131.57 3mz3 n PRO 354 Ca -0.16 -0.06 -0.25 0.00 -0.04 0.00 0.00 63.50 63.00 3mz3 n PRO 354 Cb 0.58 -0.66 -0.08 0.00 -0.04 0.00 0.00 33.50 33.30 3mz3 n PRO 354 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3mz3 n ASP 355 N 1.47 -0.10 -0.16 3.54 -0.08 -1.26 -4.34 116.55 115.62 3mz3 n ASP 355 Ca 0.01 -2.61 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 3mz3 n ASP 355 Cb 0.02 -0.56 0.00 0.00 2.34 0.00 0.00 41.12 42.92 3mz3 n ASP 355 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3mz3 n ARG 356 N 1.85 0.00 -3.22 -0.67 5.12 -1.01 -4.62 116.66 114.11 3mz3 n ARG 356 Ca 0.23 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.74 3mz3 n ARG 356 Cb 0.52 -0.91 -0.08 0.00 -1.16 0.00 0.00 32.46 30.83 3mz3 n ARG 356 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3mz3 s ASN 357 N -0.75 6.33 -0.01 0.55 0.01 -1.25 -4.78 114.94 115.04 3mz3 s ASN 357 Ca 0.00 -0.01 -0.30 0.00 -0.71 0.00 0.00 52.86 51.83 3mz3 s ASN 357 Cb 0.00 -2.28 -0.05 0.00 0.41 0.00 0.00 41.25 39.33 3mz3 s ASN 357 CO 0.00 -0.50 1.41 -0.70 -1.51 0.00 0.00 177.10 175.80 3mz3 s GLU 358 N 2.44 4.27 0.45 -0.60 2.56 -1.26 -4.90 118.70 121.66 3mz3 s GLU 358 Ca 0.19 1.97 0.11 0.00 0.00 0.00 0.00 54.97 57.25 3mz3 s GLU 358 Cb -0.15 -3.60 1.02 0.00 2.00 0.00 0.00 34.13 33.40 3mz3 s GLU 358 CO 0.14 -0.59 2.06 -1.00 -0.56 0.00 0.00 175.26 175.30 3mz3 h PRO 359 N 7.93 0.36 -0.19 4.30 0.13 -1.96 -1.75 132.00 140.82 3mz3 h PRO 359 Ca -0.38 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.66 3mz3 h PRO 359 Cb 1.18 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3mz3 h PRO 359 CO 0.91 0.24 -0.16 1.25 -0.23 0.00 0.00 178.00 180.01 3mz3 h HIS 360 N 0.37 0.52 -0.31 1.56 6.17 -2.01 -3.01 115.15 118.44 3mz3 h HIS 360 Ca 0.15 -0.15 -0.07 0.00 0.71 0.00 0.00 60.37 61.01 3mz3 h HIS 360 Cb 0.13 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 29.93 3mz3 h HIS 360 CO -0.00 0.78 -0.09 -0.09 0.71 0.00 0.00 177.93 179.24 3mz3 h ARG 361 N 0.10 0.51 -0.56 5.26 1.12 -1.80 -1.93 114.38 117.07 3mz3 h ARG 361 Ca 0.03 -0.14 -0.04 0.00 -1.11 0.00 0.00 59.98 58.73 3mz3 h ARG 361 Cb 0.69 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.56 3mz3 h ARG 361 CO 0.04 0.60 0.19 0.82 -3.11 0.00 0.00 179.97 178.52 3mz3 h ILE 362 N 0.48 1.21 0.38 1.20 1.08 -1.35 -2.78 117.51 117.73 3mz3 h ILE 362 Ca 0.09 -0.71 -0.02 0.00 -0.39 0.00 0.00 64.86 63.83 3mz3 h ILE 362 Cb 0.45 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3mz3 h ILE 362 CO 0.02 0.28 -0.18 -0.61 -0.69 0.00 0.00 178.15 176.97 3mz3 h GLN 363 N 0.82 -0.49 -0.92 2.37 5.75 -1.22 -0.31 115.11 121.10 3mz3 h GLN 363 Ca 0.19 0.03 0.26 0.00 -0.15 0.00 0.00 58.65 58.99 3mz3 h GLN 363 Cb 0.21 0.11 -0.15 0.00 1.07 0.00 0.00 27.48 28.73 3mz3 h GLN 363 CO -0.01 -0.21 0.32 1.96 -2.65 0.00 0.00 178.83 178.24 3mz3 h GLN 364 N -0.76 0.22 0.39 1.69 4.20 -1.29 -0.78 115.11 118.78 3mz3 h GLN 364 Ca -0.05 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3mz3 h GLN 364 Cb 0.52 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3mz3 h GLN 364 CO 0.09 0.14 -0.19 0.82 -0.67 0.00 0.00 178.83 179.02 3mz3 h ILE 365 N 0.22 0.46 -1.06 2.54 2.04 -1.33 -0.13 117.51 120.25 3mz3 h ILE 365 Ca 0.61 -0.62 0.31 0.00 1.00 0.00 0.00 64.86 66.16 3mz3 h ILE 365 Cb 1.29 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 3mz3 h ILE 365 CO -0.66 0.09 0.82 -0.07 0.00 0.00 0.00 178.15 178.33 3mz3 h LEU 366 N -0.94 0.00 0.00 1.44 3.38 0.15 0.15 115.31 119.49 3mz3 h LEU 366 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3mz3 h LEU 366 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3mz3 h LEU 366 CO 0.09 0.00 -0.65 0.78 0.09 0.00 0.00 178.44 178.74 3mz3 h ASN 367 N 0.00 0.00 -1.02 -0.43 2.35 -1.12 -2.49 115.58 112.87 3mz3 h ASN 367 Ca 0.50 -0.43 0.26 0.00 -0.55 0.00 0.00 56.30 56.08 3mz3 h ASN 367 Cb 2.14 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 40.39 3mz3 h ASN 367 CO -0.01 1.09 0.62 0.22 -1.65 0.00 0.00 177.43 177.70 3mz3 h TYR 368 N -1.00 0.92 0.53 1.19 5.03 -0.14 0.94 116.97 124.44 3mz3 h TYR 368 Ca -0.15 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.17 3mz3 h TYR 368 Cb 0.89 -0.26 0.01 0.00 1.55 0.00 0.00 36.73 38.91 3mz3 h TYR 368 CO 0.05 0.05 -0.26 0.82 -1.32 0.00 0.00 178.16 177.51 3mz3 h ILE 369 N 0.52 0.00 -1.15 1.81 2.04 -0.88 -0.74 117.51 119.11 3mz3 h ILE 369 Ca 0.64 -0.29 0.40 0.00 1.00 0.00 0.00 64.86 66.61 3mz3 h ILE 369 Cb 1.33 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.26 3mz3 h ILE 369 CO -0.44 0.00 0.69 0.50 0.00 0.00 0.00 178.15 178.90 3mz3 h LYS 370 N -1.01 0.13 0.11 2.37 3.64 -0.52 1.06 116.57 122.36 3mz3 h LYS 370 Ca -0.07 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3mz3 h LYS 370 Cb 0.55 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3mz3 h LYS 370 CO 0.12 0.08 -0.05 0.78 -2.27 0.00 0.00 179.45 178.11 3mz3 h GLY 371 N 0.13 -0.15 -0.06 5.01 0.00 0.10 -3.21 103.07 104.89 3mz3 h GLY 371 Ca 0.80 0.06 0.18 0.00 0.00 0.00 0.00 47.33 48.37 3mz3 h GLY 371 CO -0.56 -0.06 0.33 3.43 0.00 0.00 0.00 176.54 179.69 3mz3 h ASN 372 N -0.18 0.27 -0.34 0.19 -0.26 0.50 -3.26 115.58 112.50 3mz3 h ASN 372 Ca -0.01 0.14 -0.49 0.00 -0.56 0.00 0.00 56.30 55.37 3mz3 h ASN 372 Cb 0.11 0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 3mz3 h ASN 372 CO 0.02 0.04 1.68 -0.11 -1.06 0.00 0.00 177.43 178.00 3mz3 n LEU 373 N -5.04 3.77 0.00 1.61 7.94 0.35 -3.19 117.00 122.44 3mz3 n LEU 373 Ca 0.18 -3.22 0.00 0.00 -1.11 0.00 0.00 56.01 51.87 3mz3 n LEU 373 Cb 0.54 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.95 3mz3 n LEU 373 CO 0.15 -1.02 0.00 1.17 -1.11 0.00 0.00 177.39 176.58 3mz3 n LYS 374 N 7.79 0.00 0.00 1.96 4.81 -1.23 -4.78 118.16 126.72 3mz3 n LYS 374 Ca 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 3mz3 n LYS 374 Cb 0.44 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.49 3mz3 n LYS 374 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3mz3 n HIS 375 N -1.74 0.00 -2.99 5.64 -0.00 -1.19 -4.49 115.22 110.44 3mz3 n HIS 375 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 3mz3 n HIS 375 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 3mz3 n HIS 375 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3mz3 s VAL 376 N -1.73 4.72 0.00 1.59 -7.23 -1.26 -5.10 120.40 111.39 3mz3 s VAL 376 Ca 0.00 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 3mz3 s VAL 376 Cb 0.00 -4.25 0.00 0.00 0.56 0.00 0.00 36.38 32.69 3mz3 s VAL 376 CO 0.00 -0.57 0.00 0.52 -0.31 0.00 0.00 175.10 174.74