#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mz4 s VAL 15 N 0.00 4.26 0.32 1.96 -7.23 -1.26 -4.53 120.40 113.92 3mz4 s VAL 15 Ca 0.00 1.13 -0.29 0.00 -1.81 0.00 0.00 61.98 61.02 3mz4 s VAL 15 Cb 0.00 -3.60 -0.10 0.00 0.56 0.00 0.00 36.38 33.24 3mz4 s VAL 15 CO 0.00 -0.57 1.36 -2.84 -0.31 0.00 0.00 175.10 172.74 3mz4 s PRO 16 N -3.93 4.30 0.07 4.82 0.02 -1.26 -4.64 135.00 134.38 3mz4 s PRO 16 Ca 0.61 2.28 -0.30 0.00 0.02 0.00 0.00 61.00 63.61 3mz4 s PRO 16 Cb -0.12 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.28 3mz4 s PRO 16 CO 0.30 -0.29 1.02 0.08 -0.33 0.00 0.00 177.00 177.79 3mz4 s VAL 17 N -0.86 4.48 -0.28 3.83 1.01 0.69 -1.14 120.40 128.13 3mz4 s VAL 17 Ca 0.52 1.91 -0.01 0.00 0.00 0.00 0.00 61.98 64.40 3mz4 s VAL 17 Cb -0.41 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 31.79 3mz4 s VAL 17 CO 0.52 0.22 -0.04 -0.47 0.00 0.00 0.00 175.10 175.33 3mz4 s TYR 18 N 0.50 3.20 -0.21 5.22 6.14 0.65 0.16 117.35 133.01 3mz4 s TYR 18 Ca 0.51 -1.87 -0.27 0.00 0.64 0.00 0.00 57.07 56.08 3mz4 s TYR 18 Cb -0.24 -2.05 -0.00 0.00 0.42 0.00 0.00 41.96 40.08 3mz4 s TYR 18 CO 0.30 -0.80 0.95 0.42 0.64 0.00 0.00 175.55 177.06 3mz4 s ILE 19 N 1.24 4.76 -0.18 3.14 -1.09 -0.26 -1.47 121.20 127.34 3mz4 s ILE 19 Ca -0.04 1.85 -0.28 0.00 -2.23 0.00 0.00 60.65 59.95 3mz4 s ILE 19 Cb -0.19 -4.23 0.10 0.00 -1.58 0.00 0.00 42.46 36.56 3mz4 s ILE 19 CO -0.03 -0.10 0.85 -0.47 -1.23 0.00 0.00 174.94 173.96 3mz4 s TYR 20 N 2.81 -0.58 -0.00 3.97 5.04 -0.60 -4.82 117.35 123.18 3mz4 s TYR 20 Ca 0.41 1.21 -0.28 0.00 -2.44 0.00 0.00 57.07 55.97 3mz4 s TYR 20 Cb -0.16 0.37 0.09 0.00 0.35 0.00 0.00 41.96 42.61 3mz4 s TYR 20 CO 0.09 -0.40 0.75 -1.54 -1.34 0.00 0.00 175.55 173.11 3mz4 s SER 21 N -0.46 -0.53 0.26 4.32 1.04 -1.26 -3.57 113.70 113.50 3mz4 s SER 21 Ca -0.03 0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.70 3mz4 s SER 21 Cb -0.02 0.49 0.45 0.00 0.10 0.00 0.00 66.02 67.03 3mz4 s SER 21 CO 0.02 -0.67 1.82 -0.65 0.98 0.00 0.00 173.24 174.74 3mz4 h PRO 22 N 2.45 0.83 -0.58 4.02 0.11 -2.02 -1.29 132.00 135.51 3mz4 h PRO 22 Ca -0.27 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.70 3mz4 h PRO 22 Cb 1.21 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3mz4 h PRO 22 CO 0.36 0.55 -0.01 0.93 -0.21 0.00 0.00 178.00 179.62 3mz4 h GLU 23 N 0.85 1.02 -0.32 1.05 3.07 -1.99 -1.65 114.58 116.61 3mz4 h GLU 23 Ca 0.43 -0.32 -0.05 0.00 -0.50 0.00 0.00 59.36 58.93 3mz4 h GLU 23 Cb 0.41 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 3mz4 h GLU 23 CO -0.26 1.00 -0.00 -0.92 -1.40 0.00 0.00 179.01 177.43 3mz4 h TYR 24 N 0.93 0.62 -0.32 4.33 -0.00 -1.74 -1.78 116.97 119.02 3mz4 h TYR 24 Ca 0.17 -0.11 -0.00 0.00 -0.00 0.00 0.00 58.73 58.78 3mz4 h TYR 24 Cb 0.55 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 37.10 3mz4 h TYR 24 CO 0.04 0.69 0.18 0.28 -0.00 0.00 0.00 178.16 179.35 3mz4 h VAL 25 N 0.36 1.13 -0.75 1.81 2.07 -1.11 -1.36 116.25 118.40 3mz4 h VAL 25 Ca 0.09 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.38 3mz4 h VAL 25 Cb 0.45 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 3mz4 h VAL 25 CO 0.02 0.13 0.39 0.28 0.02 0.00 0.00 177.57 178.41 3mz4 h SER 26 N 0.40 0.54 0.36 0.57 0.02 -1.18 0.12 113.55 114.37 3mz4 h SER 26 Ca 0.11 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3mz4 h SER 26 Cb 0.04 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3mz4 h SER 26 CO -0.02 0.31 -0.18 -0.03 -1.14 0.00 0.00 176.83 175.77 3mz4 h MET 27 N 0.67 -0.48 -0.14 3.45 -1.53 -1.13 -3.02 114.93 112.75 3mz4 h MET 27 Ca 0.36 0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.63 3mz4 h MET 27 Cb 0.36 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.51 3mz4 h MET 27 CO -0.26 -0.32 -0.01 0.00 0.14 0.00 0.00 176.91 176.47 3mz4 h ASP 29 N 0.20 0.00 0.78 0.00 3.45 -0.66 -2.41 116.42 117.79 3mz4 h ASP 29 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 3mz4 h ASP 29 Cb 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 3mz4 h ASP 29 CO 0.00 0.00 0.00 0.28 -1.57 0.00 0.00 179.24 177.95 3mz4 h SER 30 N 0.00 0.00 -2.53 6.45 0.02 -1.12 -2.35 113.55 114.01 3mz4 h SER 30 Ca 0.02 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.44 3mz4 h SER 30 Cb 0.07 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.64 3mz4 h SER 30 CO -0.00 0.00 1.12 -0.76 -1.14 0.00 0.00 176.83 176.05 3mz4 s LEU 31 N -5.19 4.39 0.50 5.07 2.01 -0.91 -4.85 118.68 119.71 3mz4 s LEU 31 Ca 0.02 2.63 0.26 0.00 0.01 0.00 0.00 54.13 57.05 3mz4 s LEU 31 Cb 0.09 -3.55 1.33 0.00 0.01 0.00 0.00 46.19 44.07 3mz4 s LEU 31 CO 0.44 -0.98 2.02 0.00 1.01 0.00 0.00 176.35 178.84 3mz4 h ALA 32 N 9.15 1.25 0.00 4.21 0.00 -1.91 -1.90 119.26 130.05 3mz4 h ALA 32 Ca -0.46 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 3mz4 h ALA 32 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3mz4 h ALA 32 CO 0.94 0.18 -0.62 -0.22 0.00 0.00 0.00 179.25 179.54 3mz4 h LYS 33 N 0.00 0.00 -1.57 0.00 1.63 -1.97 -3.37 116.57 111.29 3mz4 h LYS 33 Ca -0.00 0.00 -0.44 0.00 -0.85 0.00 0.00 60.65 59.36 3mz4 h LYS 33 Cb 0.41 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 31.64 3mz4 h LYS 33 CO 0.02 0.15 -1.14 0.44 -3.45 0.00 0.00 179.45 175.47 3mz4 n ILE 34 N -2.97 0.67 -1.71 2.00 -5.35 -0.74 -5.01 119.36 106.25 3mz4 n ILE 34 Ca 0.00 -4.03 -0.43 0.00 -0.27 0.00 0.00 62.75 58.02 3mz4 n ILE 34 Cb 0.62 -0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.50 3mz4 n ILE 34 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 3mz4 n PRO 35 N 0.06 2.50 -0.79 6.28 -0.04 -1.04 -1.89 135.00 140.07 3mz4 n PRO 35 Ca 0.19 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 3mz4 n PRO 35 Cb 0.71 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 3mz4 n PRO 35 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3mz4 n LYS 36 N 2.97 -0.47 -0.19 0.54 5.02 -0.89 -4.86 118.16 120.29 3mz4 n LYS 36 Ca 0.13 0.12 -0.07 0.00 -2.02 0.00 0.00 58.31 56.47 3mz4 n LYS 36 Cb 0.34 -3.97 0.03 0.00 -0.02 0.00 0.00 35.03 31.40 3mz4 n LYS 36 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3mz4 h ARG 37 N 0.81 0.72 -0.79 1.97 2.43 -1.66 -1.41 114.38 116.45 3mz4 h ARG 37 Ca 0.00 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3mz4 h ARG 37 Cb 0.23 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3mz4 h ARG 37 CO 0.00 0.48 0.52 0.00 -1.51 0.00 0.00 179.97 179.46 3mz4 h ALA 38 N 1.20 1.00 -0.56 2.80 0.00 -1.85 -0.88 119.26 120.98 3mz4 h ALA 38 Ca 0.20 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3mz4 h ALA 38 Cb -0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3mz4 h ALA 38 CO -0.04 0.42 0.18 0.77 0.00 0.00 0.00 179.25 180.57 3mz4 h SER 39 N 1.07 0.77 -0.34 0.00 0.02 -1.77 -1.75 113.55 111.54 3mz4 h SER 39 Ca 0.29 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3mz4 h SER 39 Cb -0.11 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 3mz4 h SER 39 CO -0.06 0.72 0.10 0.24 -1.14 0.00 0.00 176.83 176.69 3mz4 h MET 40 N 0.81 0.53 0.12 3.45 2.07 -0.32 -0.77 114.93 120.82 3mz4 h MET 40 Ca 0.19 -0.12 -0.01 0.00 -2.07 0.00 0.00 59.70 57.69 3mz4 h MET 40 Cb 0.23 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.89 3mz4 h MET 40 CO -0.01 0.57 -0.06 0.28 1.07 0.00 0.00 176.91 178.77 3mz4 h VAL 41 N 0.39 0.98 -0.52 -2.22 2.07 -0.99 -2.01 116.25 113.95 3mz4 h VAL 41 Ca 0.11 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3mz4 h VAL 41 Cb 0.27 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3mz4 h VAL 41 CO -0.00 0.09 0.23 -0.74 0.02 0.00 0.00 177.57 177.16 3mz4 h HIS 42 N -0.33 0.78 0.00 1.57 6.17 -1.33 -2.03 115.15 119.98 3mz4 h HIS 42 Ca -0.02 -0.05 -0.10 0.00 0.71 0.00 0.00 60.37 60.92 3mz4 h HIS 42 Cb 0.27 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 3mz4 h HIS 42 CO -0.02 0.63 -0.46 0.66 0.71 0.00 0.00 177.93 179.45 3mz4 h SER 43 N 0.70 0.00 -0.19 3.26 4.64 -1.06 -0.22 113.55 120.68 3mz4 h SER 43 Ca 0.18 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.34 3mz4 h SER 43 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3mz4 h SER 43 CO -0.02 0.46 -0.48 0.25 -0.87 0.00 0.00 176.83 176.18 3mz4 h LEU 44 N 0.00 0.75 -0.68 5.97 5.85 -1.14 0.14 115.31 126.20 3mz4 h LEU 44 Ca -0.00 -0.57 0.07 0.00 0.84 0.00 0.00 57.88 58.22 3mz4 h LEU 44 Cb 0.95 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 3mz4 h LEU 44 CO 0.06 1.19 0.36 0.40 -0.34 0.00 0.00 178.44 180.10 3mz4 h ILE 45 N 0.35 0.92 -0.41 4.05 2.04 -1.04 -1.09 117.51 122.32 3mz4 h ILE 45 Ca -0.01 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 3mz4 h ILE 45 Cb 1.09 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3mz4 h ILE 45 CO 0.10 0.12 -0.05 -0.08 0.00 0.00 0.00 178.15 178.24 3mz4 h GLU 46 N 0.64 0.76 -0.30 2.37 4.81 -0.90 -1.98 114.58 119.98 3mz4 h GLU 46 Ca 0.32 -0.27 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3mz4 h GLU 46 Cb 0.26 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3mz4 h GLU 46 CO -0.22 0.87 0.20 0.00 -0.73 0.00 0.00 179.01 179.13 3mz4 h ALA 47 N 0.87 1.85 -0.01 2.92 0.00 -0.15 0.25 119.26 124.99 3mz4 h ALA 47 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mz4 h ALA 47 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3mz4 h ALA 47 CO 0.03 0.12 -0.01 0.66 0.00 0.00 0.00 179.25 180.05 3mz4 n TYR 48 N -4.49 0.00 -1.19 0.00 4.01 -0.47 -4.86 117.16 110.16 3mz4 n TYR 48 Ca 0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.70 3mz4 n TYR 48 Cb 0.11 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 3mz4 n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mz4 n ALA 49 N -0.47 -0.10 0.20 -0.72 0.00 0.86 -4.89 120.51 115.39 3mz4 n ALA 49 Ca 0.21 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.83 3mz4 n ALA 49 Cb 0.23 -1.00 0.31 0.00 0.00 0.00 0.00 19.45 18.99 3mz4 n ALA 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mz4 h LEU 50 N 0.00 0.00 -1.99 0.00 3.38 -1.58 -2.51 115.31 112.62 3mz4 h LEU 50 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3mz4 h LEU 50 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3mz4 h LEU 50 CO 0.19 0.29 -0.08 1.12 0.09 0.00 0.00 178.44 180.05 3mz4 h HIS 51 N 0.00 0.00 0.00 1.13 2.07 -1.89 -1.60 115.15 114.86 3mz4 h HIS 51 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3mz4 h HIS 51 Cb 0.95 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.93 3mz4 h HIS 51 CO 0.00 0.08 0.00 1.63 -3.07 0.00 0.00 177.93 176.57 3mz4 n LYS 52 N -3.45 0.15 -0.18 5.12 5.02 -0.94 -2.82 118.16 121.06 3mz4 n LYS 52 Ca -0.02 0.34 0.07 0.00 -2.02 0.00 0.00 58.31 56.68 3mz4 n LYS 52 Cb 0.23 -1.77 0.17 0.00 -0.02 0.00 0.00 35.03 33.64 3mz4 n LYS 52 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3mz4 n GLN 53 N -2.04 2.64 -4.45 1.97 6.02 -0.61 -5.00 117.38 115.91 3mz4 n GLN 53 Ca 0.03 -2.05 -0.22 0.00 -0.01 0.00 0.00 57.00 54.75 3mz4 n GLN 53 Cb 0.24 -1.31 -0.10 0.00 1.02 0.00 0.00 30.24 30.09 3mz4 n GLN 53 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3mz4 s MET 54 N -1.01 1.62 -0.31 -1.09 -1.94 -1.13 -4.57 119.30 110.87 3mz4 s MET 54 Ca 0.26 -1.85 -0.12 0.00 -1.71 0.00 0.00 55.69 52.27 3mz4 s MET 54 Cb 0.14 -1.15 -0.03 0.00 2.01 0.00 0.00 34.83 35.79 3mz4 s MET 54 CO 0.18 -0.02 0.21 0.50 -0.01 0.00 0.00 175.02 175.89 3mz4 s ARG 55 N -3.76 3.71 -0.19 2.03 3.52 -0.29 -4.93 118.95 119.04 3mz4 s ARG 55 Ca 0.32 -0.49 -0.27 0.00 -0.13 0.00 0.00 55.73 55.15 3mz4 s ARG 55 Cb 0.05 -3.73 -0.00 0.00 -1.56 0.00 0.00 34.95 29.71 3mz4 s ARG 55 CO 0.13 -0.32 0.93 0.42 -0.81 0.00 0.00 175.30 175.66 3mz4 s ILE 56 N 1.74 4.79 -0.12 4.11 -1.09 -1.26 -0.25 121.20 129.12 3mz4 s ILE 56 Ca 0.06 1.82 0.02 0.00 -2.23 0.00 0.00 60.65 60.33 3mz4 s ILE 56 Cb -0.17 -4.22 0.01 0.00 -1.58 0.00 0.00 42.46 36.50 3mz4 s ILE 56 CO 0.11 -0.06 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.89 3mz4 s VAL 57 N 2.58 1.66 0.00 2.92 1.01 -0.54 -4.94 120.40 123.09 3mz4 s VAL 57 Ca 0.41 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 3mz4 s VAL 57 Cb -0.16 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 3mz4 s VAL 57 CO 0.10 0.47 1.41 -0.75 0.00 0.00 0.00 175.10 176.34 3mz4 s LYS 58 N 0.91 4.28 0.48 2.72 2.20 -1.23 -1.55 119.74 127.55 3mz4 s LYS 58 Ca -0.07 1.98 -0.21 0.00 -0.36 0.00 0.00 55.97 57.31 3mz4 s LYS 58 Cb -0.15 -3.57 -0.08 0.00 -1.51 0.00 0.00 37.83 32.52 3mz4 s LYS 58 CO -0.01 -0.58 1.08 -1.25 -0.36 0.00 0.00 175.35 174.22 3mz4 s PRO 59 N 2.41 3.76 0.33 4.03 0.04 -1.26 -4.95 135.00 139.37 3mz4 s PRO 59 Ca 0.64 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 63.11 3mz4 s PRO 59 Cb -0.32 -2.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 3mz4 s PRO 59 CO 0.27 -0.49 0.64 0.15 0.04 0.00 0.00 177.00 177.61 3mz4 s LYS 60 N -3.04 3.70 0.00 4.56 1.02 -1.26 -4.91 119.74 119.82 3mz4 s LYS 60 Ca 0.66 0.21 -0.28 0.00 0.02 0.00 0.00 55.97 56.58 3mz4 s LYS 60 Cb -0.21 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 3mz4 s LYS 60 CO 0.25 0.12 0.90 0.08 -0.92 0.00 0.00 175.35 175.78 3mz4 s VAL 61 N -2.18 4.85 0.26 3.17 1.01 -1.26 -3.12 120.40 123.13 3mz4 s VAL 61 Ca 0.47 1.90 -0.30 0.00 0.00 0.00 0.00 61.98 64.05 3mz4 s VAL 61 Cb -0.11 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 31.93 3mz4 s VAL 61 CO 0.30 0.21 1.39 0.00 0.00 0.00 0.00 175.10 177.00 3mz4 s ALA 62 N 0.76 3.58 0.71 5.51 0.00 -0.30 -4.85 121.76 127.17 3mz4 s ALA 62 Ca 0.47 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.61 3mz4 s ALA 62 Cb -0.21 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.41 3mz4 s ALA 62 CO 0.26 -0.69 1.08 -1.54 0.00 0.00 0.00 175.76 174.87 3mz4 s SER 63 N 0.15 5.27 0.19 0.00 1.04 -1.26 -4.86 113.70 114.23 3mz4 s SER 63 Ca 0.56 0.99 -0.13 0.00 0.48 0.00 0.00 55.95 57.85 3mz4 s SER 63 Cb -0.41 -1.75 0.21 0.00 0.10 0.00 0.00 66.02 64.17 3mz4 s SER 63 CO 0.45 -1.42 1.68 -0.03 0.98 0.00 0.00 173.24 174.90 3mz4 h MET 64 N -0.66 0.11 -0.57 4.02 4.05 -1.99 -0.95 114.93 118.94 3mz4 h MET 64 Ca -0.45 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 58.86 3mz4 h MET 64 Cb 1.27 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.02 3mz4 h MET 64 CO 0.64 0.07 -0.04 0.93 0.23 0.00 0.00 176.91 178.74 3mz4 h GLU 65 N 0.11 1.02 -0.44 0.39 5.08 -1.97 -0.67 114.58 118.10 3mz4 h GLU 65 Ca 0.26 -0.33 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3mz4 h GLU 65 Cb 0.40 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 3mz4 h GLU 65 CO -0.44 1.02 0.12 0.93 -1.00 0.00 0.00 179.01 179.63 3mz4 h GLU 66 N 0.92 0.26 -0.07 2.33 5.08 -1.82 -2.43 114.58 118.85 3mz4 h GLU 66 Ca 0.16 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3mz4 h GLU 66 Cb 0.58 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3mz4 h GLU 66 CO 0.04 0.17 -0.24 0.52 -1.00 0.00 0.00 179.01 178.49 3mz4 h MET 67 N 0.27 0.13 0.00 2.33 2.86 -0.88 -2.37 114.93 117.26 3mz4 h MET 67 Ca 0.21 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3mz4 h MET 67 Cb 0.24 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3mz4 h MET 67 CO -0.25 0.37 0.00 0.00 1.06 0.00 0.00 176.91 178.09 3mz4 n ALA 68 N -2.49 2.21 0.27 6.32 0.00 -0.28 -1.69 120.51 124.86 3mz4 n ALA 68 Ca -0.01 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.46 3mz4 n ALA 68 Cb 0.33 -1.39 0.71 0.00 0.00 0.00 0.00 19.45 19.10 3mz4 n ALA 68 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3mz4 h THR 69 N 0.00 0.00 0.00 0.00 1.35 -1.17 -3.36 112.91 109.74 3mz4 h THR 69 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3mz4 h THR 69 Cb 0.23 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 3mz4 h THR 69 CO 0.00 0.00 -0.42 0.33 -0.25 0.00 0.00 175.52 175.18 3mz4 n PHE 70 N -2.53 -0.33 -2.52 4.73 7.35 -1.09 -5.08 117.46 118.00 3mz4 n PHE 70 Ca -0.01 0.06 -0.36 0.00 -0.76 0.00 0.00 57.45 56.38 3mz4 n PHE 70 Cb 0.13 0.17 -0.04 0.00 0.35 0.00 0.00 39.48 40.09 3mz4 n PHE 70 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3mz4 s HIS 71 N -2.00 3.16 0.57 -5.13 3.76 -0.68 -4.76 115.29 110.22 3mz4 s HIS 71 Ca 0.00 1.62 -0.16 0.00 -0.15 0.00 0.00 55.06 56.36 3mz4 s HIS 71 Cb 0.00 -3.13 -0.05 0.00 1.11 0.00 0.00 32.58 30.51 3mz4 s HIS 71 CO 0.00 -0.76 1.05 0.95 -0.85 0.00 0.00 174.74 175.13 3mz4 s THR 72 N -1.73 3.89 0.30 1.30 -4.23 -0.71 -4.19 115.64 110.27 3mz4 s THR 72 Ca 0.61 0.92 0.01 0.00 -1.18 0.00 0.00 61.69 62.05 3mz4 s THR 72 Cb -0.21 -3.43 0.16 0.00 1.34 0.00 0.00 72.50 70.36 3mz4 s THR 72 CO 0.26 -0.50 1.85 0.44 -0.54 0.00 0.00 174.62 176.12 3mz4 h ASP 73 N 0.60 0.65 -0.42 3.99 3.32 -1.93 -1.70 116.42 120.94 3mz4 h ASP 73 Ca -0.47 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.43 3mz4 h ASP 73 Cb 1.22 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 3mz4 h ASP 73 CO 0.58 0.68 0.14 0.00 -1.72 0.00 0.00 179.24 178.92 3mz4 h ALA 74 N 1.41 0.55 -0.06 3.45 0.00 -1.98 -0.45 119.26 122.19 3mz4 h ALA 74 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mz4 h ALA 74 Cb 0.31 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3mz4 h ALA 74 CO 0.00 0.19 0.04 -0.92 0.00 0.00 0.00 179.25 178.56 3mz4 h TYR 75 N 0.54 0.07 -0.86 0.00 3.20 -1.80 -2.18 116.97 115.94 3mz4 h TYR 75 Ca 0.14 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3mz4 h TYR 75 Cb 0.24 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 3mz4 h TYR 75 CO 0.01 0.06 0.49 -0.07 -1.64 0.00 0.00 178.16 177.01 3mz4 h LEU 76 N 0.07 1.06 -0.58 2.82 3.38 -1.02 0.43 115.31 121.47 3mz4 h LEU 76 Ca 0.02 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 3mz4 h LEU 76 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3mz4 h LEU 76 CO -0.00 0.85 -0.33 1.56 0.09 0.00 0.00 178.44 180.60 3mz4 h GLN 77 N 1.20 0.77 -0.02 1.13 4.20 -1.03 0.25 115.11 121.61 3mz4 h GLN 77 Ca 0.31 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3mz4 h GLN 77 Cb 0.00 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3mz4 h GLN 77 CO -0.05 0.99 0.00 1.25 -0.67 0.00 0.00 178.83 180.35 3mz4 h HIS 78 N 0.65 0.03 -0.67 2.96 2.76 -1.11 -0.58 115.15 119.18 3mz4 h HIS 78 Ca 0.07 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.37 3mz4 h HIS 78 Cb 0.87 -0.01 -0.12 0.00 1.55 0.00 0.00 27.41 29.71 3mz4 h HIS 78 CO 0.05 0.24 -0.07 1.25 -1.30 0.00 0.00 177.93 178.09 3mz4 h LEU 79 N -0.20 -0.44 -0.50 0.26 6.46 -0.77 -0.62 115.31 119.50 3mz4 h LEU 79 Ca 0.00 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3mz4 h LEU 79 Cb 0.23 0.35 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 3mz4 h LEU 79 CO 0.00 -0.18 0.27 -0.61 -0.62 0.00 0.00 178.44 177.30 3mz4 h GLN 80 N 0.06 0.71 0.61 1.25 4.15 -0.74 -2.46 115.11 118.69 3mz4 h GLN 80 Ca 0.34 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 3mz4 h GLN 80 Cb 0.56 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 28.12 3mz4 h GLN 80 CO -0.63 0.56 -0.29 -0.22 -1.93 0.00 0.00 178.83 176.32 3mz4 h LYS 81 N 0.67 -0.79 -0.55 1.69 3.64 0.38 -2.19 116.57 119.42 3mz4 h LYS 81 Ca 0.18 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.77 3mz4 h LYS 81 Cb 0.07 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3mz4 h LYS 81 CO -0.03 -0.52 0.45 -0.39 -2.27 0.00 0.00 179.45 176.69 3mz4 h VAL 82 N -0.84 0.56 -0.21 2.00 -1.51 -1.38 0.63 116.25 115.50 3mz4 h VAL 82 Ca -0.08 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.34 3mz4 h VAL 82 Cb 0.62 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 3mz4 h VAL 82 CO 0.14 0.00 -0.08 -1.28 -1.23 0.00 0.00 177.57 175.12 3mz4 h SER 83 N 0.00 0.31 -0.51 4.19 0.87 -1.11 -3.11 113.55 114.20 3mz4 h SER 83 Ca 0.26 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 3mz4 h SER 83 Cb 1.16 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 3mz4 h SER 83 CO -0.00 0.42 -0.12 1.56 -0.53 0.00 0.00 176.83 178.17 3mz4 h GLN 84 N 0.31 0.97 0.00 2.24 1.08 0.90 -2.65 115.11 117.96 3mz4 h GLN 84 Ca 0.07 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 3mz4 h GLN 84 Cb 0.34 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3mz4 h GLN 84 CO 0.02 1.04 -0.25 1.05 -0.95 0.00 0.00 178.83 179.74 3mz4 h GLU 85 N 0.83 0.00 0.00 1.46 4.11 -1.46 -3.48 114.58 116.04 3mz4 h GLU 85 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 3mz4 h GLU 85 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3mz4 h GLU 85 CO 0.05 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.79 3mz4 n TYR 96 N -3.52 0.00 -0.89 2.06 4.01 -1.26 -4.84 117.16 112.73 3mz4 n TYR 96 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3mz4 n TYR 96 Cb 0.13 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.51 3mz4 n TYR 96 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mz4 n GLY 97 N -2.04 0.55 2.38 2.72 0.00 -1.26 -1.25 105.19 106.29 3mz4 n GLY 97 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 3mz4 n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mz4 n LEU 98 N 0.00 6.49 0.00 0.99 4.77 -1.26 -4.32 117.00 123.67 3mz4 n LEU 98 Ca 0.00 -4.00 0.00 0.00 -0.03 0.00 0.00 56.01 51.98 3mz4 n LEU 98 Cb 0.00 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 3mz4 n LEU 98 CO 0.00 1.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.45 3mz4 n GLY 99 N 1.41 2.06 0.24 -0.72 0.00 -1.21 -3.95 105.19 103.02 3mz4 n GLY 99 Ca 0.50 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.68 3mz4 n GLY 99 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3mz4 h TYR 100 N 0.00 0.08 0.00 1.61 3.20 -2.00 0.15 116.97 120.01 3mz4 h TYR 100 Ca 0.00 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 3mz4 h TYR 100 Cb 0.00 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3mz4 h TYR 100 CO 0.00 -0.11 -0.61 -0.07 -1.64 0.00 0.00 178.16 175.72 3mz4 h LEU 101 N 0.18 0.00 -5.64 2.82 3.38 -1.93 -3.37 115.31 110.75 3mz4 h LEU 101 Ca 0.33 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.77 3mz4 h LEU 101 Cb 0.54 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.88 3mz4 h LEU 101 CO -0.49 0.35 -0.91 0.00 0.09 0.00 0.00 178.44 177.48 3mz4 s PRO 103 N -2.96 4.06 -0.86 0.00 0.04 -0.03 -3.32 135.00 131.93 3mz4 s PRO 103 Ca 0.45 2.08 -0.25 0.00 0.04 0.00 0.00 61.00 63.32 3mz4 s PRO 103 Cb 0.31 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 32.06 3mz4 s PRO 103 CO -0.11 -0.39 1.60 0.00 0.04 0.00 0.00 177.00 178.14 3mz4 s ALA 104 N -1.27 2.37 0.36 8.56 0.00 -1.25 -4.97 121.76 125.55 3mz4 s ALA 104 Ca 0.55 -1.59 0.07 0.00 0.00 0.00 0.00 51.96 50.99 3mz4 s ALA 104 Cb -0.36 -4.44 -0.01 0.00 0.00 0.00 0.00 23.12 18.31 3mz4 s ALA 104 CO 0.47 -3.89 0.48 0.95 0.00 0.00 0.00 175.76 173.77 3mz4 s THR 105 N 7.12 3.66 0.13 0.00 -4.23 -1.26 -4.93 115.64 116.13 3mz4 s THR 105 Ca 0.53 -1.05 -0.31 0.00 -1.18 0.00 0.00 61.69 59.68 3mz4 s THR 105 Cb -0.06 -3.26 -0.10 0.00 1.34 0.00 0.00 72.50 70.43 3mz4 s THR 105 CO 0.03 -0.11 1.65 -0.70 -0.54 0.00 0.00 174.62 174.95 3mz4 s GLU 106 N -4.20 4.19 0.00 3.99 2.12 -1.26 -2.79 118.70 120.74 3mz4 s GLU 106 Ca 0.48 2.41 0.00 0.00 0.36 0.00 0.00 54.97 58.22 3mz4 s GLU 106 Cb -0.09 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.96 3mz4 s GLU 106 CO 0.31 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 3mz4 n GLY 107 N 3.92 0.84 0.33 -1.50 0.00 -1.00 -4.93 105.19 102.84 3mz4 n GLY 107 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 3mz4 n GLY 107 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3mz4 h ILE 108 N 0.00 1.02 -0.52 -0.61 6.09 -1.79 -1.37 117.51 120.33 3mz4 h ILE 108 Ca 0.00 -0.17 0.06 0.00 -1.37 0.00 0.00 64.86 63.38 3mz4 h ILE 108 Cb 0.00 0.48 -0.05 0.00 0.47 0.00 0.00 36.82 37.72 3mz4 h ILE 108 CO 0.00 0.09 0.22 0.15 -3.07 0.00 0.00 178.15 175.54 3mz4 h PHE 109 N 0.50 0.39 -0.19 2.19 3.57 -1.86 -0.56 116.94 120.98 3mz4 h PHE 109 Ca 0.20 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.57 3mz4 h PHE 109 Cb 0.17 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3mz4 h PHE 109 CO -0.00 0.15 -0.53 -0.44 -2.23 0.00 0.00 178.31 175.26 3mz4 h ASP 110 N 0.42 0.61 -0.65 0.41 3.45 -1.68 -0.36 116.42 118.62 3mz4 h ASP 110 Ca 0.24 -0.32 -0.03 0.00 0.43 0.00 0.00 57.03 57.36 3mz4 h ASP 110 Cb 0.23 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 3mz4 h ASP 110 CO -0.22 1.03 0.30 1.88 -1.57 0.00 0.00 179.24 180.65 3mz4 h TYR 111 N 0.43 0.95 0.33 4.55 0.05 -1.11 -1.33 116.97 120.84 3mz4 h TYR 111 Ca 0.01 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 3mz4 h TYR 111 Cb 1.07 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.52 3mz4 h TYR 111 CO 0.04 0.73 -0.16 0.00 -1.05 0.00 0.00 178.16 177.72 3mz4 h ALA 112 N 1.13 -0.44 -0.93 3.88 0.00 -0.90 -2.16 119.26 119.84 3mz4 h ALA 112 Ca 0.22 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.16 3mz4 h ALA 112 Cb 0.15 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 3mz4 h ALA 112 CO -0.02 -0.68 0.59 0.00 0.00 0.00 0.00 179.25 179.14 3mz4 h ALA 113 N 0.06 1.83 -0.41 0.00 0.00 -1.07 0.16 119.26 119.85 3mz4 h ALA 113 Ca -0.04 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3mz4 h ALA 113 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3mz4 h ALA 113 CO 0.07 -0.11 0.12 0.00 0.00 0.00 0.00 179.25 179.33 3mz4 h ALA 114 N 1.60 0.53 0.04 0.00 0.00 -0.92 0.18 119.26 120.69 3mz4 h ALA 114 Ca 0.49 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.94 3mz4 h ALA 114 Cb 0.81 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.47 3mz4 h ALA 114 CO -0.24 0.19 -1.11 0.82 0.00 0.00 0.00 179.25 178.91 3mz4 h ILE 115 N 0.51 1.28 -0.42 0.00 2.04 -0.90 -0.70 117.51 119.32 3mz4 h ILE 115 Ca 0.13 -2.32 0.06 0.00 1.00 0.00 0.00 64.86 63.73 3mz4 h ILE 115 Cb 0.28 2.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.79 3mz4 h ILE 115 CO -0.00 0.71 0.10 1.23 0.00 0.00 0.00 178.15 180.19 3mz4 h GLY 116 N 0.40 0.51 1.51 5.37 0.00 -0.71 -2.10 103.07 108.05 3mz4 h GLY 116 Ca -0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 3mz4 h GLY 116 CO 0.22 -0.03 -0.17 -1.33 0.00 0.00 0.00 176.54 175.23 3mz4 h GLY 117 N 0.24 0.63 1.01 4.60 0.00 -0.62 -1.71 103.07 107.22 3mz4 h GLY 117 Ca 0.20 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3mz4 h GLY 117 CO -0.25 0.44 0.28 0.00 0.00 0.00 0.00 176.54 177.01 3mz4 h ALA 118 N 1.30 0.84 -0.23 3.60 0.00 -0.89 -0.80 119.26 123.08 3mz4 h ALA 118 Ca 0.09 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 3mz4 h ALA 118 Cb 0.59 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3mz4 h ALA 118 CO 0.04 0.44 -0.59 1.15 0.00 0.00 0.00 179.25 180.29 3mz4 h THR 119 N 0.91 1.28 -0.71 0.00 2.02 -1.12 -1.69 112.91 113.61 3mz4 h THR 119 Ca 0.22 -1.78 0.08 0.00 0.77 0.00 0.00 66.41 65.70 3mz4 h THR 119 Cb 0.17 1.78 -0.07 0.00 -1.74 0.00 0.00 68.15 68.29 3mz4 h THR 119 CO -0.02 0.57 0.38 0.40 0.37 0.00 0.00 175.52 177.22 3mz4 h ILE 120 N 0.56 0.90 -0.71 3.11 2.04 -1.23 -0.02 117.51 122.17 3mz4 h ILE 120 Ca -0.01 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 3mz4 h ILE 120 Cb 1.20 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3mz4 h ILE 120 CO 0.13 0.12 0.18 0.74 0.00 0.00 0.00 178.15 179.31 3mz4 h THR 121 N 0.66 1.26 -0.68 -0.27 2.02 -0.97 0.17 112.91 115.09 3mz4 h THR 121 Ca 0.34 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 3mz4 h THR 121 Cb 0.30 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3mz4 h THR 121 CO -0.24 0.37 0.16 0.00 0.37 0.00 0.00 175.52 176.19 3mz4 h ALA 122 N 1.11 0.90 -0.86 6.16 0.00 -0.59 -0.93 119.26 125.06 3mz4 h ALA 122 Ca 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3mz4 h ALA 122 Cb 0.37 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3mz4 h ALA 122 CO 0.00 0.63 0.42 0.00 0.00 0.00 0.00 179.25 180.30 3mz4 h ALA 123 N 1.07 1.13 -0.56 0.00 0.00 -0.23 -2.66 119.26 118.01 3mz4 h ALA 123 Ca 0.21 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3mz4 h ALA 123 Cb 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3mz4 h ALA 123 CO 0.00 0.66 0.06 0.37 0.00 0.00 0.00 179.25 180.34 3mz4 h GLN 124 N 1.22 0.96 -0.93 0.00 5.75 -0.20 -1.72 115.11 120.18 3mz4 h GLN 124 Ca 0.30 -0.28 0.10 0.00 -0.15 0.00 0.00 58.65 58.62 3mz4 h GLN 124 Cb 0.10 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 28.48 3mz4 h GLN 124 CO -0.04 0.94 0.60 0.00 -2.65 0.00 0.00 178.83 177.68 3mz4 h LEU 126 N 0.95 0.96 -0.61 0.00 3.38 -1.18 -2.27 115.31 116.54 3mz4 h LEU 126 Ca 0.43 -0.58 0.07 0.00 0.09 0.00 0.00 57.88 57.89 3mz4 h LEU 126 Cb 0.40 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3mz4 h LEU 126 CO -0.19 1.38 0.30 0.40 0.09 0.00 0.00 178.44 180.42 3mz4 h ILE 127 N 0.60 0.90 -0.08 1.22 2.04 -0.87 -2.26 117.51 119.07 3mz4 h ILE 127 Ca -0.02 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3mz4 h ILE 127 Cb 1.30 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3mz4 h ILE 127 CO 0.14 0.10 0.00 0.47 0.00 0.00 0.00 178.15 178.87 3mz4 n ASP 128 N -4.88 0.50 -1.05 1.72 8.00 -0.73 -4.82 116.55 115.29 3mz4 n ASP 128 Ca 0.08 -2.01 -0.12 0.00 0.71 0.00 0.00 54.79 53.44 3mz4 n ASP 128 Cb 0.20 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 3mz4 n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mz4 n GLY 129 N 0.59 1.18 0.42 0.44 0.00 -0.85 -4.80 105.19 102.17 3mz4 n GLY 129 Ca 0.03 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.28 3mz4 n GLY 129 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3mz4 h MET 130 N 0.00 0.34 -3.31 1.61 -1.53 -1.65 -3.45 114.93 106.94 3mz4 h MET 130 Ca -0.25 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 55.98 3mz4 h MET 130 Cb 1.06 -0.08 -0.08 0.00 -0.55 0.00 0.00 31.60 31.95 3mz4 h MET 130 CO 0.37 0.22 0.05 0.00 0.14 0.00 0.00 176.91 177.69 3mz4 n LYS 132 N -0.39 0.47 -4.29 0.00 4.76 -1.26 -4.64 118.16 112.81 3mz4 n LYS 132 Ca -0.06 -0.13 -0.21 0.00 -2.87 0.00 0.00 58.31 55.04 3mz4 n LYS 132 Cb 0.61 -1.51 -0.16 0.00 -1.84 0.00 0.00 35.03 32.13 3mz4 n LYS 132 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3mz4 s VAL 133 N -3.33 0.70 -0.06 -0.18 1.01 -1.26 -0.94 120.40 116.33 3mz4 s VAL 133 Ca -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3mz4 s VAL 133 Cb 0.14 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3mz4 s VAL 133 CO 0.89 0.26 -0.14 0.00 0.00 0.00 0.00 175.10 176.11 3mz4 s ALA 134 N 0.81 1.36 -0.20 5.51 0.00 -0.81 -0.23 121.76 128.21 3mz4 s ALA 134 Ca -0.13 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 3mz4 s ALA 134 Cb -0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 3mz4 s ALA 134 CO 0.01 0.16 -0.02 0.42 0.00 0.00 0.00 175.76 176.34 3mz4 s ILE 135 N 0.50 3.78 -0.42 0.00 1.01 0.12 -0.39 121.20 125.80 3mz4 s ILE 135 Ca -0.12 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3mz4 s ILE 135 Cb -0.15 -2.70 0.13 0.00 0.01 0.00 0.00 42.46 39.75 3mz4 s ILE 135 CO 0.04 0.44 0.22 0.21 0.00 0.00 0.00 174.94 175.85 3mz4 s ASN 136 N 1.02 3.65 0.53 3.58 2.47 0.31 -1.10 114.94 125.39 3mz4 s ASN 136 Ca 0.01 -2.53 0.26 0.00 0.42 0.00 0.00 52.86 51.02 3mz4 s ASN 136 Cb -0.14 -1.00 1.51 0.00 -1.45 0.00 0.00 41.25 40.17 3mz4 s ASN 136 CO 0.01 -0.28 2.12 -0.50 -3.72 0.00 0.00 177.10 174.73 3mz4 h TRP 137 N 6.84 0.00 -0.01 0.43 -0.00 -1.88 -2.31 115.95 119.03 3mz4 h TRP 137 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.87 3mz4 h TRP 137 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.10 3mz4 h TRP 137 CO 0.47 0.09 -0.07 0.43 -0.00 0.00 0.00 178.44 179.36 3mz4 n SER 138 N -3.81 0.69 -1.58 -3.49 7.64 -1.26 -2.71 113.62 109.10 3mz4 n SER 138 Ca -0.02 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 58.91 3mz4 n SER 138 Cb 0.19 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 3mz4 n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mz4 n GLY 139 N 1.19 0.51 0.45 0.23 0.00 -0.88 -4.86 105.19 101.84 3mz4 n GLY 139 Ca 0.18 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3mz4 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mz4 n GLY 140 N 5.00 1.32 2.76 -0.02 0.00 -1.26 -2.59 105.19 110.40 3mz4 n GLY 140 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3mz4 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mz4 n TRP 141 N -1.90 3.22 0.64 1.61 7.02 -1.26 -4.52 117.44 122.25 3mz4 n TRP 141 Ca 0.00 -2.81 0.12 0.00 -1.02 0.00 0.00 57.50 53.79 3mz4 n TRP 141 Cb 0.07 -2.43 0.46 0.00 -2.42 0.00 0.00 31.31 26.99 3mz4 n TRP 141 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 3mz4 n HIS 142 N 6.14 0.48 0.11 -5.99 1.44 -1.26 -3.47 115.22 112.68 3mz4 n HIS 142 Ca 0.53 0.16 0.07 0.00 -2.01 0.00 0.00 57.72 56.47 3mz4 n HIS 142 Cb 0.38 -0.76 0.02 0.00 0.12 0.00 0.00 29.99 29.75 3mz4 n HIS 142 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3mz4 h HIS 143 N 0.00 0.00 -3.92 -1.40 3.86 -1.87 -0.08 115.15 111.75 3mz4 h HIS 143 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 3mz4 h HIS 143 Cb 0.49 0.00 0.08 0.00 1.06 0.00 0.00 27.41 29.04 3mz4 h HIS 143 CO 0.00 0.25 0.66 0.00 0.86 0.00 0.00 177.93 179.69 3mz4 s ALA 144 N -3.14 3.43 0.45 2.45 0.00 -1.23 -4.07 121.76 119.65 3mz4 s ALA 144 Ca 0.01 1.31 0.07 0.00 0.00 0.00 0.00 51.96 53.36 3mz4 s ALA 144 Cb 0.08 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3mz4 s ALA 144 CO 0.76 -0.79 0.39 0.15 0.00 0.00 0.00 175.76 176.28 3mz4 s LYS 145 N -2.01 2.45 0.35 0.00 -0.14 0.01 -4.51 119.74 115.90 3mz4 s LYS 145 Ca 0.52 -1.65 0.05 0.00 -1.36 0.00 0.00 55.97 53.53 3mz4 s LYS 145 Cb -0.40 -2.32 0.70 0.00 -1.68 0.00 0.00 37.83 34.13 3mz4 s LYS 145 CO 0.54 -0.30 1.95 1.57 -0.76 0.00 0.00 175.35 178.34 3mz4 h LYS 146 N 0.95 0.79 0.00 1.68 2.10 -1.93 -3.10 116.57 117.06 3mz4 h LYS 146 Ca -0.40 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.14 3mz4 h LYS 146 Cb 1.27 -0.18 -0.14 0.00 -0.90 0.00 0.00 32.23 32.29 3mz4 h LYS 146 CO 0.57 0.52 -0.62 -0.40 -2.00 0.00 0.00 179.45 177.52 3mz4 n ASP 147 N -4.48 1.29 -3.64 7.07 3.85 -1.26 -1.73 116.55 117.65 3mz4 n ASP 147 Ca 0.11 -2.82 -0.08 0.00 -0.71 0.00 0.00 54.79 51.30 3mz4 n ASP 147 Cb 0.22 -0.38 -0.07 0.00 -1.35 0.00 0.00 41.12 39.54 3mz4 n ASP 147 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3mz4 s GLU 148 N -1.54 0.71 0.59 0.11 -1.05 -1.17 -4.73 118.70 111.62 3mz4 s GLU 148 Ca 0.30 1.17 -0.19 0.00 -0.15 0.00 0.00 54.97 56.10 3mz4 s GLU 148 Cb 0.31 0.17 -0.03 0.00 -0.44 0.00 0.00 34.13 34.13 3mz4 s GLU 148 CO -0.08 -0.14 1.19 0.00 0.95 0.00 0.00 175.26 177.18 3mz4 s ALA 149 N 1.46 2.55 -0.27 -0.84 0.00 -0.38 -0.80 121.76 123.47 3mz4 s ALA 149 Ca -0.09 0.96 -0.22 0.00 0.00 0.00 0.00 51.96 52.61 3mz4 s ALA 149 Cb -0.05 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.71 3mz4 s ALA 149 CO -0.17 -1.14 0.71 0.45 0.00 0.00 0.00 175.76 175.61 3mz4 s SER 150 N -1.68 -0.81 -1.26 0.00 0.15 -0.65 -4.46 113.70 104.99 3mz4 s SER 150 Ca 0.76 1.47 -0.02 0.00 0.70 0.00 0.00 55.95 58.86 3mz4 s SER 150 Cb -0.29 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 3mz4 s SER 150 CO 0.33 -0.25 0.95 0.61 1.20 0.00 0.00 173.24 176.08 3mz4 n GLY 151 N 3.19 -0.37 3.45 9.45 0.00 -1.26 -0.88 105.19 118.76 3mz4 n GLY 151 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3mz4 n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mz4 n PHE 152 N -4.28 0.00 -3.56 1.61 0.99 -1.17 -4.88 117.46 106.17 3mz4 n PHE 152 Ca -0.25 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 56.82 3mz4 n PHE 152 Cb 0.65 -0.62 -0.11 0.00 -1.00 0.00 0.00 39.48 38.40 3mz4 n PHE 152 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3mz4 n TYR 154 N 5.09 0.00 -3.67 0.00 4.02 -1.26 -1.63 117.16 119.70 3mz4 n TYR 154 Ca -0.13 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.63 3mz4 n TYR 154 Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.75 3mz4 n TYR 154 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3mz4 s LEU 155 N -2.74 -0.33 -0.93 7.72 2.96 -1.26 -4.76 118.68 119.34 3mz4 s LEU 155 Ca 0.12 1.21 -0.18 0.00 -0.22 0.00 0.00 54.13 55.06 3mz4 s LEU 155 Cb 0.16 2.02 0.15 0.00 0.50 0.00 0.00 46.19 49.03 3mz4 s LEU 155 CO 0.72 -0.21 1.09 0.21 -1.32 0.00 0.00 176.35 176.84 3mz4 s ASN 156 N 0.54 6.69 0.33 3.68 3.84 -1.26 -4.72 114.94 124.04 3mz4 s ASN 156 Ca -0.02 -2.23 0.05 0.00 0.21 0.00 0.00 52.86 50.87 3mz4 s ASN 156 Cb -0.05 -2.37 0.60 0.00 -0.55 0.00 0.00 41.25 38.88 3mz4 s ASN 156 CO -0.02 -0.95 1.84 -2.24 -2.79 0.00 0.00 177.10 172.93 3mz4 h ASP 157 N 8.53 0.42 -0.43 -4.21 2.03 -1.91 -2.33 116.42 118.51 3mz4 h ASP 157 Ca 0.16 -0.10 -0.03 0.00 -0.73 0.00 0.00 57.03 56.34 3mz4 h ASP 157 Cb 1.01 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 39.39 3mz4 h ASP 157 CO 1.06 0.56 0.16 0.00 -1.03 0.00 0.00 179.24 179.99 3mz4 h ALA 158 N 1.49 0.56 -0.13 4.15 0.00 -1.89 0.16 119.26 123.60 3mz4 h ALA 158 Ca 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3mz4 h ALA 158 Cb 0.43 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3mz4 h ALA 158 CO 0.02 0.18 -0.08 0.28 0.00 0.00 0.00 179.25 179.66 3mz4 h VAL 159 N 0.56 0.76 -0.89 0.00 2.07 -1.91 0.46 116.25 117.30 3mz4 h VAL 159 Ca 0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.76 3mz4 h VAL 159 Cb 0.21 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 3mz4 h VAL 159 CO -0.01 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.05 3mz4 h LEU 160 N -0.07 0.80 -0.38 2.57 3.38 -0.97 0.32 115.31 120.96 3mz4 h LEU 160 Ca 0.08 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3mz4 h LEU 160 Cb 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3mz4 h LEU 160 CO -0.18 0.46 -0.28 1.23 0.09 0.00 0.00 178.44 179.77 3mz4 h GLY 161 N 0.91 0.94 0.98 0.83 0.00 -0.75 -2.25 103.07 103.74 3mz4 h GLY 161 Ca 0.42 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3mz4 h GLY 161 CO -0.23 0.82 0.14 -2.22 0.00 0.00 0.00 176.54 175.05 3mz4 h ILE 162 N 0.67 1.07 -0.92 2.60 2.04 -0.22 -0.74 117.51 122.01 3mz4 h ILE 162 Ca 0.07 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.83 3mz4 h ILE 162 Cb 0.85 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 3mz4 h ILE 162 CO 0.07 0.07 0.58 -0.07 0.00 0.00 0.00 178.15 178.81 3mz4 h LEU 163 N 0.29 0.93 -0.25 1.44 3.38 -0.93 -0.34 115.31 119.83 3mz4 h LEU 163 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3mz4 h LEU 163 Cb -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3mz4 h LEU 163 CO -0.02 0.60 0.12 -0.09 0.09 0.00 0.00 178.44 179.14 3mz4 h ARG 164 N 1.06 0.36 -0.07 1.13 9.65 -1.13 -2.69 114.38 122.69 3mz4 h ARG 164 Ca 0.39 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.24 3mz4 h ARG 164 Cb 0.15 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.66 3mz4 h ARG 164 CO -0.17 0.37 0.05 -0.07 2.80 0.00 0.00 179.97 182.95 3mz4 h LEU 165 N 0.27 0.00 -1.54 3.80 3.38 -0.36 -1.90 115.31 118.96 3mz4 h LEU 165 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3mz4 h LEU 165 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3mz4 h LEU 165 CO -0.01 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.55 3mz4 h ARG 166 N 0.00 0.00 0.00 1.13 2.47 -0.73 -0.09 114.38 117.16 3mz4 h ARG 166 Ca 0.03 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.67 3mz4 h ARG 166 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 3mz4 h ARG 166 CO -0.00 0.00 -0.37 0.00 0.56 0.00 0.00 179.97 180.16 3mz4 h ARG 167 N 0.00 0.00 0.00 0.04 3.08 -1.43 -3.34 114.38 112.73 3mz4 h ARG 167 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 3mz4 h ARG 167 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3mz4 h ARG 167 CO 0.00 0.37 -1.85 1.17 -1.07 0.00 0.00 179.97 178.59 3mz4 n LYS 168 N -3.87 1.08 -4.51 0.04 3.00 -0.51 -5.02 118.16 108.37 3mz4 n LYS 168 Ca -0.01 0.05 -0.33 0.00 -0.00 0.00 0.00 58.31 58.02 3mz4 n LYS 168 Cb 0.43 -1.30 -0.16 0.00 0.00 0.00 0.00 35.03 34.00 3mz4 n LYS 168 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3mz4 s PHE 169 N -2.30 2.72 0.17 5.64 0.40 -0.16 -5.01 117.98 119.44 3mz4 s PHE 169 Ca -0.14 -1.35 -0.07 0.00 -0.60 0.00 0.00 56.93 54.76 3mz4 s PHE 169 Cb 0.05 -1.86 0.06 0.00 0.51 0.00 0.00 43.02 41.78 3mz4 s PHE 169 CO 0.41 -0.63 1.53 1.49 0.70 0.00 0.00 175.22 178.72 3mz4 h GLU 170 N 7.48 0.82 -4.49 0.44 4.57 -1.87 -3.39 114.58 118.14 3mz4 h GLU 170 Ca -0.36 -0.41 -0.53 0.00 -1.18 0.00 0.00 59.36 56.89 3mz4 h GLU 170 Cb 1.18 0.00 -0.34 0.00 -0.16 0.00 0.00 28.75 29.43 3mz4 h GLU 170 CO 0.58 1.04 -0.81 1.03 -1.18 0.00 0.00 179.01 179.67 3mz4 s ARG 171 N -4.39 1.72 -0.11 1.92 0.52 -1.26 -4.85 118.95 112.49 3mz4 s ARG 171 Ca -0.10 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 3mz4 s ARG 171 Cb 0.12 -1.51 -0.02 0.00 0.52 0.00 0.00 34.95 34.06 3mz4 s ARG 171 CO 0.86 -0.06 -0.12 0.42 0.02 0.00 0.00 175.30 176.42 3mz4 s ILE 172 N 0.97 3.15 -0.20 1.52 -1.09 -0.68 -0.84 121.20 124.04 3mz4 s ILE 172 Ca -0.09 -0.64 -0.10 0.00 -2.23 0.00 0.00 60.65 57.59 3mz4 s ILE 172 Cb -0.15 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.37 3mz4 s ILE 172 CO -0.00 0.54 0.13 -0.22 -1.23 0.00 0.00 174.94 174.16 3mz4 s LEU 173 N 0.08 4.21 -0.20 2.97 2.96 -0.34 -2.02 118.68 126.34 3mz4 s LEU 173 Ca -0.05 0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 54.06 3mz4 s LEU 173 Cb -0.14 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 3mz4 s LEU 173 CO 0.04 0.17 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.72 3mz4 s TYR 174 N 0.39 2.94 -0.12 5.38 5.04 -0.33 -0.85 117.35 129.79 3mz4 s TYR 174 Ca 0.08 -0.89 0.02 0.00 -2.44 0.00 0.00 57.07 53.84 3mz4 s TYR 174 Cb -0.11 -2.05 -0.01 0.00 0.35 0.00 0.00 41.96 40.14 3mz4 s TYR 174 CO -0.02 -0.48 -0.19 0.08 -1.34 0.00 0.00 175.55 173.61 3mz4 s VAL 175 N 1.25 2.54 -0.28 3.14 1.01 0.03 -0.73 120.40 127.36 3mz4 s VAL 175 Ca 0.03 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3mz4 s VAL 175 Cb -0.14 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.29 3mz4 s VAL 175 CO -0.02 0.54 -0.02 -0.62 0.00 0.00 0.00 175.10 174.98 3mz4 s ASP 176 N 0.37 4.21 -0.13 3.32 -1.08 0.58 -0.82 116.67 123.12 3mz4 s ASP 176 Ca -0.15 -1.53 0.17 0.00 -0.52 0.00 0.00 52.55 50.53 3mz4 s ASP 176 Cb -0.17 -1.31 0.67 0.00 -1.46 0.00 0.00 42.92 40.64 3mz4 s ASP 176 CO 0.07 -0.29 1.58 0.18 0.52 0.00 0.00 175.17 177.23 3mz4 n LEU 177 N 4.55 4.59 -4.59 -1.34 4.77 0.25 -1.97 117.00 123.25 3mz4 n LEU 177 Ca -0.07 -2.56 -0.33 0.00 -0.03 0.00 0.00 56.01 53.02 3mz4 n LEU 177 Cb 0.43 -0.55 0.13 0.00 -2.33 0.00 0.00 43.42 41.10 3mz4 n LEU 177 CO 0.19 0.76 0.46 -0.67 -1.33 0.00 0.00 177.39 176.80 3mz4 n ASP 178 N 0.73 -0.13 0.22 -1.43 2.03 -1.25 -4.62 116.55 112.10 3mz4 n ASP 178 Ca 0.24 0.49 0.07 0.00 0.52 0.00 0.00 54.79 56.10 3mz4 n ASP 178 Cb 0.89 -1.40 0.57 0.00 -0.72 0.00 0.00 41.12 40.46 3mz4 n ASP 178 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3mz4 h LEU 179 N -1.25 0.05 -9.89 -2.67 5.85 -1.84 -3.40 115.31 102.16 3mz4 h LEU 179 Ca -0.45 -0.00 -0.61 0.00 0.84 0.00 0.00 57.88 57.66 3mz4 h LEU 179 Cb 1.29 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 3mz4 h LEU 179 CO 0.42 0.11 -0.42 -1.00 -0.34 0.00 0.00 178.44 177.20 3mz4 s HIS 180 N -4.96 3.52 0.16 1.25 3.76 -1.26 -0.58 115.29 117.17 3mz4 s HIS 180 Ca -0.05 0.42 -0.33 0.00 -0.15 0.00 0.00 55.06 54.94 3mz4 s HIS 180 Cb 0.17 -1.89 -0.13 0.00 1.11 0.00 0.00 32.58 31.84 3mz4 s HIS 180 CO 0.69 0.55 1.66 1.58 -0.85 0.00 0.00 174.74 178.36 3mz4 n HIS 181 N 0.42 2.45 -0.99 1.40 -0.00 -1.26 -4.85 115.22 112.39 3mz4 n HIS 181 Ca -0.06 0.15 -0.29 0.00 0.46 0.00 0.00 57.72 57.98 3mz4 n HIS 181 Cb 0.52 -2.60 -0.02 0.00 -0.12 0.00 0.00 29.99 27.76 3mz4 n HIS 181 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3mz4 n GLY 182 N 3.70 3.59 0.29 1.57 0.00 -1.26 -4.72 105.19 108.37 3mz4 n GLY 182 Ca 0.17 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 3mz4 n GLY 182 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3mz4 h ASP 183 N 5.78 0.97 -0.69 1.61 -0.00 -1.89 -1.62 116.42 120.58 3mz4 h ASP 183 Ca 0.65 -0.24 -0.04 0.00 -0.00 0.00 0.00 57.03 57.40 3mz4 h ASP 183 Cb 0.22 -0.26 -0.03 0.00 -0.00 0.00 0.00 39.33 39.26 3mz4 h ASP 183 CO 1.60 0.96 0.26 1.23 -0.00 0.00 0.00 179.24 183.29 3mz4 h GLY 184 N 0.93 1.11 0.81 7.15 0.00 -1.16 0.17 103.07 112.08 3mz4 h GLY 184 Ca 0.19 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 3mz4 h GLY 184 CO 0.01 0.58 -0.33 -2.08 0.00 0.00 0.00 176.54 174.71 3mz4 h VAL 185 N 0.98 1.37 -0.27 4.60 2.07 -1.45 -2.25 116.25 121.31 3mz4 h VAL 185 Ca 0.23 -1.62 0.05 0.00 0.82 0.00 0.00 66.70 66.18 3mz4 h VAL 185 Cb 0.23 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3mz4 h VAL 185 CO -0.02 0.48 -0.03 -0.08 0.02 0.00 0.00 177.57 177.95 3mz4 h GLU 186 N 0.06 0.04 -0.48 1.57 4.81 -1.09 -2.81 114.58 116.69 3mz4 h GLU 186 Ca -0.00 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3mz4 h GLU 186 Cb 0.94 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 3mz4 h GLU 186 CO 0.07 0.03 0.31 -0.44 -0.73 0.00 0.00 179.01 178.25 3mz4 h ASP 187 N 0.04 0.54 -0.95 1.04 3.32 -0.65 0.15 116.42 119.92 3mz4 h ASP 187 Ca 0.13 -0.01 0.18 0.00 0.02 0.00 0.00 57.03 57.35 3mz4 h ASP 187 Cb 0.18 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.51 3mz4 h ASP 187 CO -0.24 0.39 0.60 0.00 -1.72 0.00 0.00 179.24 178.28 3mz4 h ALA 188 N 1.18 1.90 -0.25 3.45 0.00 -1.21 -2.74 119.26 121.59 3mz4 h ALA 188 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3mz4 h ALA 188 Cb -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3mz4 h ALA 188 CO -0.04 -0.21 0.00 1.19 0.00 0.00 0.00 179.25 180.19 3mz4 n PHE 189 N -4.62 0.49 -0.05 0.00 3.01 -0.81 -4.73 117.46 110.76 3mz4 n PHE 189 Ca 0.21 -0.63 0.11 0.00 1.01 0.00 0.00 57.45 58.14 3mz4 n PHE 189 Cb 0.59 -0.11 0.51 0.00 -0.01 0.00 0.00 39.48 40.45 3mz4 n PHE 189 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3mz4 h SER 190 N 1.53 0.34 -0.53 4.37 0.87 -0.40 -2.28 113.55 117.45 3mz4 h SER 190 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3mz4 h SER 190 Cb 0.90 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 3mz4 h SER 190 CO 0.06 0.22 0.00 0.49 -0.53 0.00 0.00 176.83 177.06 3mz4 n PHE 191 N -4.47 0.70 -4.36 2.24 3.72 -1.26 -2.07 117.46 111.97 3mz4 n PHE 191 Ca 0.08 -0.35 -0.24 0.00 -0.05 0.00 0.00 57.45 56.88 3mz4 n PHE 191 Cb 0.32 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.74 3mz4 n PHE 191 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3mz4 s THR 192 N -1.30 2.02 -2.23 4.37 -1.32 -0.86 -2.95 115.64 113.37 3mz4 s THR 192 Ca 0.40 -1.89 0.19 0.00 -1.21 0.00 0.00 61.69 59.19 3mz4 s THR 192 Cb 0.22 -1.91 0.25 0.00 -1.51 0.00 0.00 72.50 69.55 3mz4 s THR 192 CO 0.29 -0.18 1.20 -1.54 -2.21 0.00 0.00 174.62 172.19 3mz4 n SER 193 N 0.46 2.88 0.16 8.08 3.41 -1.26 -4.33 113.62 123.02 3mz4 n SER 193 Ca -0.14 -1.86 0.09 0.00 -0.26 0.00 0.00 58.87 56.70 3mz4 n SER 193 Cb 0.56 -0.10 0.08 0.00 -0.26 0.00 0.00 64.21 64.49 3mz4 n SER 193 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3mz4 h LYS 194 N 3.76 0.00 -4.24 4.33 1.79 -1.93 -3.43 116.57 116.85 3mz4 h LYS 194 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 3mz4 h LYS 194 Cb 0.84 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 31.12 3mz4 h LYS 194 CO 0.00 0.13 -0.80 0.08 -1.08 0.00 0.00 179.45 177.77 3mz4 s VAL 195 N -3.17 1.04 -0.15 0.50 1.01 -1.26 -1.68 120.40 116.70 3mz4 s VAL 195 Ca 0.04 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 3mz4 s VAL 195 Cb 0.07 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 3mz4 s VAL 195 CO 0.72 0.37 0.18 -0.32 0.00 0.00 0.00 175.10 176.05 3mz4 s MET 196 N 1.70 3.88 -0.08 2.72 1.75 -0.85 -4.85 119.30 123.57 3mz4 s MET 196 Ca 0.05 -0.09 0.02 0.00 -1.25 0.00 0.00 55.69 54.42 3mz4 s MET 196 Cb -0.13 -3.31 -0.02 0.00 2.84 0.00 0.00 34.83 34.21 3mz4 s MET 196 CO -0.08 0.51 -0.12 0.95 -0.65 0.00 0.00 175.02 175.63 3mz4 s THR 197 N -0.28 3.26 -0.15 10.11 -4.23 -0.89 -1.19 115.64 122.28 3mz4 s THR 197 Ca 0.13 -0.63 -0.01 0.00 -1.18 0.00 0.00 61.69 60.00 3mz4 s THR 197 Cb -0.12 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.44 3mz4 s THR 197 CO 0.02 0.57 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.95 3mz4 s VAL 198 N -0.44 0.93 -0.10 2.29 1.01 0.10 0.24 120.40 124.43 3mz4 s VAL 198 Ca 0.06 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3mz4 s VAL 198 Cb -0.12 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.14 3mz4 s VAL 198 CO 0.02 0.14 -0.22 -0.55 0.00 0.00 0.00 175.10 174.49 3mz4 s SER 199 N 1.72 2.96 -0.17 3.32 0.15 -0.68 -0.31 113.70 120.68 3mz4 s SER 199 Ca 0.02 -0.54 -0.07 0.00 0.70 0.00 0.00 55.95 56.06 3mz4 s SER 199 Cb -0.15 -1.35 -0.04 0.00 -1.71 0.00 0.00 66.02 62.77 3mz4 s SER 199 CO -0.07 0.13 0.06 -0.76 1.20 0.00 0.00 173.24 173.80 3mz4 s LEU 200 N 0.45 3.84 0.18 3.45 1.02 -0.83 -0.85 118.68 125.93 3mz4 s LEU 200 Ca -0.17 0.12 -0.23 0.00 0.02 0.00 0.00 54.13 53.88 3mz4 s LEU 200 Cb -0.17 -1.96 0.06 0.00 0.02 0.00 0.00 46.19 44.14 3mz4 s LEU 200 CO 0.07 0.22 0.69 -1.38 0.02 0.00 0.00 176.35 175.97 3mz4 s HIS 201 N 0.10 -0.39 0.20 0.29 -3.43 -0.84 -4.44 115.29 106.77 3mz4 s HIS 201 Ca 0.05 0.11 -0.30 0.00 -0.80 0.00 0.00 55.06 54.13 3mz4 s HIS 201 Cb -0.12 0.61 -0.09 0.00 -1.43 0.00 0.00 32.58 31.55 3mz4 s HIS 201 CO 0.01 -0.93 1.25 0.21 -2.00 0.00 0.00 174.74 173.28 3mz4 s LYS 202 N -3.70 4.45 -0.21 -0.38 2.20 0.25 -0.29 119.74 122.05 3mz4 s LYS 202 Ca 0.05 1.97 -0.02 0.00 -0.36 0.00 0.00 55.97 57.61 3mz4 s LYS 202 Cb -0.02 -3.21 0.06 0.00 -1.51 0.00 0.00 37.83 33.15 3mz4 s LYS 202 CO -0.06 -0.15 0.03 0.12 -0.36 0.00 0.00 175.35 174.93 3mz4 s PHE 203 N -0.11 1.28 -0.18 4.03 2.19 -0.75 -4.62 117.98 119.83 3mz4 s PHE 203 Ca 0.54 -1.07 -0.23 0.00 0.33 0.00 0.00 56.93 56.50 3mz4 s PHE 203 Cb -0.35 -1.16 0.06 0.00 -1.31 0.00 0.00 43.02 40.26 3mz4 s PHE 203 CO 0.39 -0.66 0.61 0.45 1.83 0.00 0.00 175.22 177.84 3mz4 s SER 204 N 1.77 -0.62 0.18 6.13 0.15 -1.26 -4.70 113.70 115.35 3mz4 s SER 204 Ca -0.01 1.06 -0.33 0.00 0.70 0.00 0.00 55.95 57.38 3mz4 s SER 204 Cb -0.17 1.06 -0.13 0.00 -1.71 0.00 0.00 66.02 65.06 3mz4 s SER 204 CO -0.09 -0.31 1.67 -2.65 1.20 0.00 0.00 173.24 173.05 3mz4 n PRO 205 N 2.27 2.50 -0.01 5.44 -0.02 -1.26 -0.96 135.00 142.96 3mz4 n PRO 205 Ca -0.15 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3mz4 n PRO 205 Cb 0.56 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3mz4 n PRO 205 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mz4 n GLY 206 N 3.75 0.49 3.63 -1.23 0.00 -1.26 -5.03 105.19 105.53 3mz4 n GLY 206 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3mz4 n GLY 206 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mz4 s PHE 207 N -2.17 3.29 0.48 1.61 5.36 -0.14 -5.01 117.98 121.40 3mz4 s PHE 207 Ca 0.00 0.49 -0.24 0.00 -0.96 0.00 0.00 56.93 56.22 3mz4 s PHE 207 Cb 0.00 -2.57 -0.07 0.00 -0.34 0.00 0.00 43.02 40.04 3mz4 s PHE 207 CO 0.00 -0.16 1.42 0.34 -1.46 0.00 0.00 175.22 175.36 3mz4 n PHE 208 N 5.07 2.62 1.63 10.12 -0.00 -1.26 -1.33 117.46 134.31 3mz4 n PHE 208 Ca -0.08 0.43 0.14 0.00 -0.00 0.00 0.00 57.45 57.95 3mz4 n PHE 208 Cb 0.51 -2.44 0.63 0.00 -0.00 0.00 0.00 39.48 38.18 3mz4 n PHE 208 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3mz4 n PRO 209 N -0.44 1.49 0.00 -7.13 -0.04 -1.26 -4.54 135.00 123.09 3mz4 n PRO 209 Ca 0.07 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 3mz4 n PRO 209 Cb 0.42 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3mz4 n PRO 209 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mz4 n GLY 210 N 1.13 0.73 3.96 0.55 0.00 -0.44 -5.07 105.19 106.05 3mz4 n GLY 210 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3mz4 n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mz4 s THR 211 N -2.20 2.57 0.00 2.61 -4.23 -1.26 -4.84 115.64 108.29 3mz4 s THR 211 Ca 0.00 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 3mz4 s THR 211 Cb 0.00 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.10 3mz4 s THR 211 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3mz4 n GLY 212 N -1.82 1.03 3.74 3.99 0.00 -1.26 -4.81 105.19 106.05 3mz4 n GLY 212 Ca 0.07 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 3mz4 n GLY 212 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mz4 s ASP 213 N -2.51 3.58 0.57 1.61 3.68 -1.26 -4.26 116.67 118.08 3mz4 s ASP 213 Ca 0.00 1.36 0.32 0.00 2.13 0.00 0.00 52.55 56.36 3mz4 s ASP 213 Cb 0.00 -2.04 1.74 0.00 -1.45 0.00 0.00 42.92 41.17 3mz4 s ASP 213 CO 0.00 -2.55 2.17 1.62 0.13 0.00 0.00 175.17 176.53 3mz4 h VAL 214 N -1.49 0.37 0.00 1.11 3.04 -1.96 -0.72 116.25 116.60 3mz4 h VAL 214 Ca -0.50 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 3mz4 h VAL 214 Cb 1.29 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 3mz4 h VAL 214 CO 0.57 0.06 0.00 -1.54 -1.01 0.00 0.00 177.57 175.64 3mz4 n SER 215 N -3.50 0.61 -4.59 3.17 3.41 -1.26 -4.62 113.62 106.84 3mz4 n SER 215 Ca -0.02 0.61 -0.43 0.00 -0.26 0.00 0.00 58.87 58.78 3mz4 n SER 215 Cb 0.18 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.35 3mz4 n SER 215 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mz4 s ASP 216 N -4.13 6.28 -0.00 4.04 2.15 -0.28 -4.82 116.67 119.91 3mz4 s ASP 216 Ca 0.07 0.65 0.01 0.00 0.43 0.00 0.00 52.55 53.70 3mz4 s ASP 216 Cb 0.11 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.19 3mz4 s ASP 216 CO 0.45 -1.51 0.83 1.33 -0.17 0.00 0.00 175.17 176.10 3mz4 n VAL 217 N 7.01 0.67 -0.39 1.11 0.24 -1.26 -4.12 118.33 121.59 3mz4 n VAL 217 Ca 0.15 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 3mz4 n VAL 217 Cb 0.48 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 3mz4 n VAL 217 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mz4 n GLY 218 N -0.35 -3.11 3.11 7.63 0.00 -1.26 0.03 105.19 111.23 3mz4 n GLY 218 Ca 0.01 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 3mz4 n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mz4 s LEU 219 N 0.00 1.38 0.00 0.99 1.43 -0.88 -4.51 118.68 117.10 3mz4 s LEU 219 Ca 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3mz4 s LEU 219 Cb 0.00 0.73 0.00 0.00 0.03 0.00 0.00 46.19 46.95 3mz4 s LEU 219 CO 0.00 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.92 3mz4 n GLY 220 N 1.96 2.48 0.01 -3.19 0.00 -1.26 -1.01 105.19 104.19 3mz4 n GLY 220 Ca -0.19 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.49 3mz4 n GLY 220 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mz4 n LYS 221 N 13.44 0.02 -0.26 1.61 5.02 -1.26 -1.78 118.16 134.95 3mz4 n LYS 221 Ca 0.00 0.38 0.11 0.00 -2.02 0.00 0.00 58.31 56.78 3mz4 n LYS 221 Cb 0.00 -1.54 0.27 0.00 -0.02 0.00 0.00 35.03 33.74 3mz4 n LYS 221 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mz4 n GLY 222 N -0.69 1.82 3.74 0.72 0.00 -0.18 -4.10 105.19 106.51 3mz4 n GLY 222 Ca 0.02 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 3mz4 n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mz4 n ARG 223 N 1.39 2.69 -0.64 1.61 0.63 -0.73 -1.20 116.66 120.40 3mz4 n ARG 223 Ca 0.21 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 58.09 3mz4 n ARG 223 Cb 0.56 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.74 3mz4 n ARG 223 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3mz4 n TYR 224 N 2.06 0.00 -0.75 -0.14 4.02 0.10 -4.88 117.16 117.56 3mz4 n TYR 224 Ca 0.08 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.06 3mz4 n TYR 224 Cb 0.37 -0.24 0.36 0.00 -0.02 0.00 0.00 39.34 39.81 3mz4 n TYR 224 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3mz4 n TYR 225 N -2.00 1.61 -5.01 -0.72 4.02 -0.34 -4.77 117.16 109.95 3mz4 n TYR 225 Ca 0.00 -0.68 -0.27 0.00 -0.01 0.00 0.00 57.90 56.94 3mz4 n TYR 225 Cb 0.00 -0.34 -0.16 0.00 -0.02 0.00 0.00 39.34 38.82 3mz4 n TYR 225 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3mz4 s SER 226 N -0.99 2.43 -0.06 7.72 0.01 -1.13 -2.09 113.70 119.60 3mz4 s SER 226 Ca 0.51 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 57.43 3mz4 s SER 226 Cb 0.36 -0.27 -0.00 0.00 0.21 0.00 0.00 66.02 66.32 3mz4 s SER 226 CO 0.19 0.25 -0.19 -0.69 0.41 0.00 0.00 173.24 173.22 3mz4 s VAL 227 N -0.49 1.59 -0.04 3.43 1.01 0.14 -4.30 120.40 121.74 3mz4 s VAL 227 Ca 0.08 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3mz4 s VAL 227 Cb -0.08 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3mz4 s VAL 227 CO -0.01 0.45 -0.12 0.20 0.00 0.00 0.00 175.10 175.63 3mz4 s ASN 228 N 0.18 1.62 -0.39 3.32 0.01 -1.26 -1.69 114.94 116.73 3mz4 s ASN 228 Ca -0.09 -0.26 -0.01 0.00 -0.71 0.00 0.00 52.86 51.79 3mz4 s ASN 228 Cb -0.14 -0.52 0.11 0.00 0.41 0.00 0.00 41.25 41.11 3mz4 s ASN 228 CO 0.04 0.08 0.17 -0.69 -1.51 0.00 0.00 177.10 175.19 3mz4 s VAL 229 N 0.26 3.06 0.04 1.60 1.01 -0.03 -4.01 120.40 122.34 3mz4 s VAL 229 Ca -0.06 -2.13 -0.31 0.00 0.00 0.00 0.00 61.98 59.49 3mz4 s VAL 229 Cb -0.11 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 3mz4 s VAL 229 CO 0.02 -0.67 1.29 -2.16 0.00 0.00 0.00 175.10 173.58 3mz4 s PRO 230 N 1.08 4.36 0.07 2.72 0.04 -1.26 -1.98 135.00 140.02 3mz4 s PRO 230 Ca 0.09 1.88 0.07 0.00 0.04 0.00 0.00 61.00 63.07 3mz4 s PRO 230 Cb -0.22 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 3mz4 s PRO 230 CO -0.05 -0.40 -0.18 0.42 0.04 0.00 0.00 177.00 176.82 3mz4 s ILE 231 N 1.56 1.47 0.48 0.56 1.01 0.60 -4.87 121.20 122.01 3mz4 s ILE 231 Ca 0.61 -1.30 0.03 0.00 0.00 0.00 0.00 60.65 60.00 3mz4 s ILE 231 Cb -0.31 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 40.85 3mz4 s ILE 231 CO 0.28 -0.00 0.68 -1.10 0.00 0.00 0.00 174.94 174.79 3mz4 s GLN 232 N -1.52 2.76 0.65 2.79 -1.52 -1.26 -1.80 119.66 119.76 3mz4 s GLN 232 Ca 0.04 -0.86 -0.17 0.00 -1.95 0.00 0.00 55.36 52.42 3mz4 s GLN 232 Cb -0.09 -2.60 -0.05 0.00 -0.22 0.00 0.00 33.01 30.05 3mz4 s GLN 232 CO 0.03 -0.45 0.74 -0.25 -0.25 0.00 0.00 175.29 175.10 3mz4 n ASP 233 N -2.11 -0.27 0.00 5.90 8.00 -1.26 -3.69 116.55 123.12 3mz4 n ASP 233 Ca 0.06 0.71 0.00 0.00 0.71 0.00 0.00 54.79 56.27 3mz4 n ASP 233 Cb 0.59 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 3mz4 n ASP 233 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mz4 n GLY 234 N 1.49 0.75 3.77 0.44 0.00 0.41 -1.67 105.19 110.39 3mz4 n GLY 234 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3mz4 n GLY 234 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mz4 s ILE 235 N -2.90 2.19 0.53 -0.61 2.07 -1.24 -4.06 121.20 117.17 3mz4 s ILE 235 Ca 0.00 0.18 0.01 0.00 -1.41 0.00 0.00 60.65 59.43 3mz4 s ILE 235 Cb 0.00 -3.11 0.01 0.00 0.13 0.00 0.00 42.46 39.49 3mz4 s ILE 235 CO 0.00 0.04 0.09 -1.10 -1.91 0.00 0.00 174.94 172.06 3mz4 s GLN 236 N -2.15 2.23 0.21 3.50 -0.21 -1.26 -0.61 119.66 121.36 3mz4 s GLN 236 Ca 0.55 -2.36 -0.10 0.00 0.02 0.00 0.00 55.36 53.47 3mz4 s GLN 236 Cb -0.44 -1.65 0.19 0.00 1.00 0.00 0.00 33.01 32.11 3mz4 s GLN 236 CO 0.59 -0.46 1.84 -0.44 -2.12 0.00 0.00 175.29 174.70 3mz4 h ASP 237 N 1.16 0.71 0.11 5.90 3.32 -1.94 -1.94 116.42 123.73 3mz4 h ASP 237 Ca -0.42 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 3mz4 h ASP 237 Cb 1.32 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3mz4 h ASP 237 CO 0.70 0.49 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.57 3mz4 h GLU 238 N 0.84 -0.14 -0.36 3.56 4.81 -1.97 -1.56 114.58 119.77 3mz4 h GLU 238 Ca 0.28 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 3mz4 h GLU 238 Cb 0.03 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3mz4 h GLU 238 CO -0.11 0.18 -0.24 -0.22 -0.73 0.00 0.00 179.01 177.89 3mz4 h LYS 239 N -0.46 0.72 -0.55 1.92 3.64 -1.97 -1.69 116.57 118.19 3mz4 h LYS 239 Ca -0.01 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.02 3mz4 h LYS 239 Cb 0.38 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3mz4 h LYS 239 CO 0.02 0.90 0.16 -0.92 -2.27 0.00 0.00 179.45 177.34 3mz4 h TYR 240 N 0.63 0.90 -0.32 1.91 5.03 -1.33 -1.29 116.97 122.49 3mz4 h TYR 240 Ca 0.09 -0.10 -0.14 0.00 2.58 0.00 0.00 58.73 61.15 3mz4 h TYR 240 Cb 0.74 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.76 3mz4 h TYR 240 CO 0.04 0.77 -0.38 -0.92 -1.32 0.00 0.00 178.16 176.34 3mz4 h TYR 241 N 0.77 0.90 -0.36 -3.82 5.03 -1.08 -0.81 116.97 117.60 3mz4 h TYR 241 Ca 0.18 -0.26 0.06 0.00 2.58 0.00 0.00 58.73 61.28 3mz4 h TYR 241 Cb 0.30 -0.19 -0.05 0.00 1.55 0.00 0.00 36.73 38.34 3mz4 h TYR 241 CO 0.02 1.02 0.03 1.96 -1.32 0.00 0.00 178.16 179.87 3mz4 h GLN 242 N 0.62 0.13 0.25 1.82 4.20 -1.05 0.28 115.11 121.37 3mz4 h GLN 242 Ca 0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3mz4 h GLN 242 Cb 0.93 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.68 3mz4 h GLN 242 CO 0.08 0.09 -0.12 0.82 -0.67 0.00 0.00 178.83 179.03 3mz4 h ILE 243 N 0.14 0.75 -0.46 2.54 2.04 -1.03 -2.18 117.51 119.31 3mz4 h ILE 243 Ca 0.17 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 3mz4 h ILE 243 Cb 0.22 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3mz4 h ILE 243 CO -0.26 0.00 0.07 0.00 0.00 0.00 0.00 178.15 177.96 3mz4 h GLU 245 N 0.64 0.75 -0.52 0.00 4.22 -0.48 -0.74 114.58 118.44 3mz4 h GLU 245 Ca 0.14 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.50 3mz4 h GLU 245 Cb 0.39 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3mz4 h GLU 245 CO 0.01 0.50 0.18 1.03 -2.18 0.00 0.00 179.01 178.55 3mz4 h SER 246 N 0.77 0.74 -0.20 1.04 0.87 -1.16 -1.16 113.55 114.45 3mz4 h SER 246 Ca 0.22 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 3mz4 h SER 246 Cb -0.06 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 3mz4 h SER 246 CO -0.06 0.73 -0.06 0.58 -0.53 0.00 0.00 176.83 177.49 3mz4 h VAL 247 N 0.71 1.29 0.00 2.23 2.07 -1.16 -2.99 116.25 118.40 3mz4 h VAL 247 Ca 0.17 -1.06 -0.11 0.00 0.82 0.00 0.00 66.70 66.52 3mz4 h VAL 247 Cb 0.24 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3mz4 h VAL 247 CO -0.01 0.32 -0.54 -0.07 0.02 0.00 0.00 177.57 177.29 3mz4 h LEU 248 N 0.12 0.00 0.42 2.57 3.38 -0.98 -0.54 115.31 120.28 3mz4 h LEU 248 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3mz4 h LEU 248 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3mz4 h LEU 248 CO 0.02 0.54 -0.20 0.50 0.09 0.00 0.00 178.44 179.39 3mz4 h LYS 249 N 0.00 -0.54 -0.93 1.13 3.64 -1.25 0.16 116.57 118.77 3mz4 h LYS 249 Ca -0.01 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3mz4 h LYS 249 Cb 1.21 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.10 3mz4 h LYS 249 CO 0.07 -0.34 0.60 0.93 -2.27 0.00 0.00 179.45 178.44 3mz4 h GLU 250 N -0.61 1.08 -0.36 1.90 5.08 -1.37 -1.20 114.58 119.11 3mz4 h GLU 250 Ca -0.06 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 3mz4 h GLU 250 Cb 0.46 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3mz4 h GLU 250 CO 0.09 0.71 -0.13 0.28 -1.00 0.00 0.00 179.01 178.97 3mz4 h VAL 251 N 1.11 1.28 -0.44 3.13 2.07 -0.95 -1.00 116.25 121.46 3mz4 h VAL 251 Ca 0.39 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3mz4 h VAL 251 Cb 0.10 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3mz4 h VAL 251 CO -0.15 0.40 0.22 0.22 0.02 0.00 0.00 177.57 178.28 3mz4 h TYR 252 N 0.51 0.63 -0.82 1.57 3.20 -0.40 0.80 116.97 122.46 3mz4 h TYR 252 Ca 0.09 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3mz4 h TYR 252 Cb 0.65 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 3mz4 h TYR 252 CO 0.05 0.50 0.36 1.96 -1.64 0.00 0.00 178.16 179.39 3mz4 h GLN 253 N 0.57 1.20 0.18 1.82 1.08 -1.03 -1.82 115.11 117.11 3mz4 h GLN 253 Ca 0.15 -0.20 -0.29 0.00 -1.45 0.00 0.00 58.65 56.86 3mz4 h GLN 253 Cb 0.10 -0.20 0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3mz4 h GLN 253 CO -0.02 0.95 -1.39 0.00 -0.95 0.00 0.00 178.83 177.42 3mz4 h ALA 254 N 1.19 0.00 0.00 3.87 0.00 -1.09 -3.40 119.26 119.83 3mz4 h ALA 254 Ca 0.28 -0.94 -0.24 0.00 0.00 0.00 0.00 54.91 54.01 3mz4 h ALA 254 Cb 0.17 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3mz4 h ALA 254 CO -0.03 0.73 -1.98 0.34 0.00 0.00 0.00 179.25 178.31 3mz4 n PHE 255 N -3.82 0.37 -3.73 0.00 7.35 0.26 -4.22 117.46 113.68 3mz4 n PHE 255 Ca -0.20 0.13 -0.33 0.00 -0.76 0.00 0.00 57.45 56.28 3mz4 n PHE 255 Cb 0.99 -0.95 0.04 0.00 0.35 0.00 0.00 39.48 39.91 3mz4 n PHE 255 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3mz4 n ASN 256 N -2.73 -5.22 -4.73 -2.13 4.05 -0.69 -4.90 115.26 98.92 3mz4 n ASN 256 Ca -0.20 -1.05 -0.36 0.00 0.45 0.00 0.00 54.58 53.42 3mz4 n ASN 256 Cb 0.95 -3.18 0.07 0.00 1.23 0.00 0.00 39.78 38.85 3mz4 n ASN 256 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3mz4 s PRO 257 N -6.15 2.57 -0.01 1.20 0.04 -1.26 -4.86 135.00 126.53 3mz4 s PRO 257 Ca 0.48 1.98 0.17 0.00 0.04 0.00 0.00 61.00 63.68 3mz4 s PRO 257 Cb -0.18 -1.86 -0.21 0.00 0.04 0.00 0.00 34.50 32.29 3mz4 s PRO 257 CO 0.87 -1.56 0.62 1.63 0.04 0.00 0.00 177.00 178.60 3mz4 n LYS 258 N -1.95 1.11 -3.54 4.56 4.76 -0.02 -5.00 118.16 118.08 3mz4 n LYS 258 Ca 0.15 -0.05 -0.14 0.00 -2.87 0.00 0.00 58.31 55.41 3mz4 n LYS 258 Cb 0.49 -1.34 -0.05 0.00 -1.84 0.00 0.00 35.03 32.29 3mz4 n LYS 258 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mz4 s ALA 259 N -2.80 -1.39 -0.02 7.82 0.00 -1.12 -4.35 121.76 119.90 3mz4 s ALA 259 Ca 0.02 0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.59 3mz4 s ALA 259 Cb 0.12 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.73 3mz4 s ALA 259 CO 0.71 -0.56 -0.09 0.08 0.00 0.00 0.00 175.76 175.90 3mz4 s VAL 260 N -2.74 0.75 -0.16 0.00 1.01 0.94 -1.19 120.40 119.01 3mz4 s VAL 260 Ca -0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 3mz4 s VAL 260 Cb -0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.72 3mz4 s VAL 260 CO -0.04 0.23 -0.14 -0.69 0.00 0.00 0.00 175.10 174.46 3mz4 s VAL 261 N 0.08 2.82 -0.18 2.92 1.01 -0.03 -0.20 120.40 126.81 3mz4 s VAL 261 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3mz4 s VAL 261 Cb -0.07 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.15 3mz4 s VAL 261 CO 0.00 0.51 -0.10 -0.22 0.00 0.00 0.00 175.10 175.29 3mz4 s LEU 262 N 0.80 1.96 -0.26 3.92 2.96 0.44 -0.79 118.68 127.71 3mz4 s LEU 262 Ca -0.05 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 53.03 3mz4 s LEU 262 Cb -0.15 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 3mz4 s LEU 262 CO 0.00 -0.14 0.15 -1.58 -1.32 0.00 0.00 176.35 173.46 3mz4 s GLN 263 N 1.49 3.92 -0.29 1.98 -0.44 -0.00 -0.67 119.66 125.64 3mz4 s GLN 263 Ca 0.01 -0.34 0.09 0.00 -2.50 0.00 0.00 55.36 52.62 3mz4 s GLN 263 Cb -0.15 -3.53 0.47 0.00 -1.64 0.00 0.00 33.01 28.16 3mz4 s GLN 263 CO -0.09 -0.09 1.18 1.28 0.50 0.00 0.00 175.29 178.07 3mz4 n LEU 264 N 4.73 4.43 -4.14 3.68 4.77 -0.22 -0.58 117.00 129.66 3mz4 n LEU 264 Ca -0.15 -4.50 -0.57 0.00 -0.03 0.00 0.00 56.01 50.76 3mz4 n LEU 264 Cb 0.52 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3mz4 n LEU 264 CO 0.33 1.95 0.80 0.61 -1.33 0.00 0.00 177.39 179.75 3mz4 n GLY 265 N -0.69 -0.01 1.42 -0.72 0.00 -1.21 -4.71 105.19 99.26 3mz4 n GLY 265 Ca 0.38 0.80 0.06 0.00 0.00 0.00 0.00 46.02 47.27 3mz4 n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mz4 n ALA 266 N 2.59 3.30 1.99 4.61 0.00 0.47 -3.99 120.51 129.48 3mz4 n ALA 266 Ca 0.23 -1.31 0.01 0.00 0.00 0.00 0.00 53.44 52.37 3mz4 n ALA 266 Cb 0.00 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.44 3mz4 n ALA 266 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mz4 n ASP 267 N 0.59 0.00 0.06 0.00 5.68 -1.22 -2.58 116.55 119.08 3mz4 n ASP 267 Ca 0.20 -1.94 0.12 0.00 -0.50 0.00 0.00 54.79 52.67 3mz4 n ASP 267 Cb 0.85 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 41.02 3mz4 n ASP 267 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3mz4 n THR 268 N -0.53 0.36 -2.70 2.12 -2.24 -1.26 -4.70 114.28 105.34 3mz4 n THR 268 Ca 0.01 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 3mz4 n THR 268 Cb 0.01 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 3mz4 n THR 268 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3mz4 s ILE 269 N -3.15 4.43 0.16 2.28 -1.09 -1.06 -2.29 121.20 120.47 3mz4 s ILE 269 Ca 0.07 2.01 -0.32 0.00 -2.23 0.00 0.00 60.65 60.17 3mz4 s ILE 269 Cb 0.13 -4.28 -0.17 0.00 -1.58 0.00 0.00 42.46 36.57 3mz4 s ILE 269 CO 0.71 0.30 0.92 0.00 -1.23 0.00 0.00 174.94 175.65 3mz4 n ALA 270 N 2.79 -1.92 -0.06 9.38 0.00 0.82 -1.88 120.51 129.66 3mz4 n ALA 270 Ca 0.03 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3mz4 n ALA 270 Cb 0.49 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3mz4 n ALA 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mz4 n GLY 271 N 1.81 0.51 3.76 0.00 0.00 -1.26 -4.97 105.19 105.04 3mz4 n GLY 271 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3mz4 n GLY 271 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mz4 s ASP 272 N -2.58 7.22 0.63 1.61 2.15 -0.79 -4.71 116.67 120.21 3mz4 s ASP 272 Ca 0.00 2.30 0.28 0.00 0.43 0.00 0.00 52.55 55.56 3mz4 s ASP 272 Cb 0.00 -2.63 1.52 0.00 -0.30 0.00 0.00 42.92 41.51 3mz4 s ASP 272 CO 0.00 -0.18 1.89 -0.65 -0.17 0.00 0.00 175.17 176.05 3mz4 h PRO 273 N 3.75 0.00 0.00 4.34 0.11 -1.92 -0.33 132.00 137.95 3mz4 h PRO 273 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3mz4 h PRO 273 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mz4 h PRO 273 CO 0.67 0.00 -0.07 0.52 -0.21 0.00 0.00 178.00 178.90 3mz4 h MET 274 N 0.00 0.00 -6.31 1.05 2.86 -1.92 -3.46 114.93 107.14 3mz4 h MET 274 Ca 0.10 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.26 3mz4 h MET 274 Cb 0.93 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 3mz4 h MET 274 CO -0.00 0.07 -0.79 0.00 1.06 0.00 0.00 176.91 177.25 3mz4 n SER 276 N -2.87 0.00 -4.69 0.00 7.64 -1.26 -4.97 113.62 107.47 3mz4 n SER 276 Ca -0.04 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.57 3mz4 n SER 276 Cb 0.56 -0.05 0.11 0.00 -1.01 0.00 0.00 64.21 63.82 3mz4 n SER 276 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3mz4 s PHE 277 N -0.71 2.38 -0.32 1.43 2.99 -1.26 -0.44 117.98 122.06 3mz4 s PHE 277 Ca 0.00 0.33 0.18 0.00 0.00 0.00 0.00 56.93 57.43 3mz4 s PHE 277 Cb 0.00 -3.42 0.47 0.00 0.00 0.00 0.00 43.02 40.07 3mz4 s PHE 277 CO 0.00 -1.80 1.01 -1.71 -0.00 0.00 0.00 175.22 172.72 3mz4 n ASN 278 N -3.16 1.85 -4.90 1.36 5.15 0.22 -4.39 115.26 111.40 3mz4 n ASN 278 Ca 0.11 -2.67 -0.28 0.00 -0.60 0.00 0.00 54.58 51.14 3mz4 n ASN 278 Cb 0.60 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 39.35 3mz4 n ASN 278 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3mz4 s MET 279 N -3.33 3.49 0.36 1.20 -1.94 -0.97 -4.27 119.30 113.83 3mz4 s MET 279 Ca 0.30 0.28 0.09 0.00 -1.71 0.00 0.00 55.69 54.64 3mz4 s MET 279 Cb 0.42 -2.31 -0.07 0.00 2.01 0.00 0.00 34.83 34.89 3mz4 s MET 279 CO 0.00 -0.33 -0.06 0.95 -0.01 0.00 0.00 175.02 175.58 3mz4 s THR 280 N -2.85 2.26 0.60 2.05 -4.23 -1.26 -0.12 115.64 112.09 3mz4 s THR 280 Ca 0.49 -2.13 0.31 0.00 -1.18 0.00 0.00 61.69 59.19 3mz4 s THR 280 Cb -0.10 -2.73 0.36 0.00 1.34 0.00 0.00 72.50 71.37 3mz4 s THR 280 CO 0.47 -0.17 2.22 -0.65 -0.54 0.00 0.00 174.62 175.95 3mz4 h PRO 281 N 1.94 0.00 -0.15 3.99 0.11 -1.93 -2.72 132.00 133.24 3mz4 h PRO 281 Ca -0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3mz4 h PRO 281 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3mz4 h PRO 281 CO 0.71 0.00 0.09 0.28 -0.21 0.00 0.00 178.00 178.88 3mz4 h VAL 282 N 0.00 1.06 -0.03 3.15 2.07 -1.96 0.11 116.25 120.65 3mz4 h VAL 282 Ca 0.02 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3mz4 h VAL 282 Cb 0.16 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3mz4 h VAL 282 CO -0.00 0.06 -0.02 1.23 0.02 0.00 0.00 177.57 178.86 3mz4 h GLY 283 N 0.18 0.01 1.01 2.17 0.00 -1.81 -1.07 103.07 103.57 3mz4 h GLY 283 Ca 0.05 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.49 3mz4 h GLY 283 CO -0.01 -0.02 0.46 -2.22 0.00 0.00 0.00 176.54 174.74 3mz4 h ILE 284 N -0.02 0.97 -0.22 2.60 1.08 -1.53 -2.47 117.51 117.92 3mz4 h ILE 284 Ca 0.02 -0.22 -0.05 0.00 -0.39 0.00 0.00 64.86 64.22 3mz4 h ILE 284 Cb 0.05 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 3mz4 h ILE 284 CO -0.04 0.12 -0.08 1.23 -0.69 0.00 0.00 178.15 178.68 3mz4 h GLY 285 N 0.64 0.37 1.43 5.37 0.00 0.42 -0.63 103.07 110.69 3mz4 h GLY 285 Ca 0.31 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 3mz4 h GLY 285 CO -0.10 0.21 -0.57 0.50 0.00 0.00 0.00 176.54 176.58 3mz4 h LYS 286 N 0.33 0.59 -0.44 4.80 1.57 -0.81 0.12 116.57 122.72 3mz4 h LYS 286 Ca 0.07 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 3mz4 h LYS 286 Cb 0.35 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3mz4 h LYS 286 CO 0.02 0.99 0.17 0.00 -0.57 0.00 0.00 179.45 180.06 3mz4 h LEU 288 N 0.57 1.10 -0.50 0.00 5.85 -0.97 -2.74 115.31 118.61 3mz4 h LEU 288 Ca 0.15 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3mz4 h LEU 288 Cb 0.20 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3mz4 h LEU 288 CO -0.01 0.97 0.18 0.11 -0.34 0.00 0.00 178.44 179.34 3mz4 h LYS 289 N 1.16 0.76 -0.68 1.25 1.57 -0.49 -0.46 116.57 119.68 3mz4 h LYS 289 Ca 0.27 -0.15 0.07 0.00 -1.87 0.00 0.00 60.65 58.96 3mz4 h LYS 289 Cb 0.21 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 3mz4 h LYS 289 CO -0.02 0.70 0.37 -0.92 -0.57 0.00 0.00 179.45 179.01 3mz4 h TYR 290 N 0.67 0.68 -0.37 -1.35 3.20 -1.16 -0.95 116.97 117.70 3mz4 h TYR 290 Ca 0.16 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.93 3mz4 h TYR 290 Cb 0.24 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3mz4 h TYR 290 CO 0.01 0.31 -0.29 0.82 -1.64 0.00 0.00 178.16 177.37 3mz4 h ILE 291 N 0.68 1.28 0.00 1.81 2.04 -1.24 -3.08 117.51 118.99 3mz4 h ILE 291 Ca 0.31 -1.44 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 3mz4 h ILE 291 Cb 0.22 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3mz4 h ILE 291 CO -0.20 0.48 -0.38 -0.07 0.00 0.00 0.00 178.15 177.98 3mz4 h LEU 292 N 0.66 0.00 -1.91 1.44 3.38 0.03 -2.52 115.31 116.39 3mz4 h LEU 292 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3mz4 h LEU 292 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3mz4 h LEU 292 CO 0.07 0.38 0.00 0.06 0.09 0.00 0.00 178.44 179.04 3mz4 h GLN 293 N 0.00 0.00 0.00 1.13 -0.00 -1.12 -1.39 115.11 113.72 3mz4 h GLN 293 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3mz4 h GLN 293 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.21 3mz4 h GLN 293 CO 0.05 0.00 0.00 -1.49 -0.00 0.00 0.00 178.83 177.39 3mz4 h TRP 294 N 0.00 0.00 -6.47 0.06 6.55 -1.57 -3.46 115.95 111.06 3mz4 h TRP 294 Ca 0.00 0.00 -0.50 0.00 0.95 0.00 0.00 58.89 59.34 3mz4 h TRP 294 Cb 0.26 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 28.47 3mz4 h TRP 294 CO 0.00 0.00 -0.80 1.04 -1.05 0.00 0.00 178.44 177.63 3mz4 n GLN 295 N -2.65 -4.41 -3.83 0.49 6.02 -0.53 -4.99 117.38 107.49 3mz4 n GLN 295 Ca -0.00 0.50 -0.27 0.00 -0.01 0.00 0.00 57.00 57.22 3mz4 n GLN 295 Cb 0.17 -5.22 -0.03 0.00 1.02 0.00 0.00 30.24 26.18 3mz4 n GLN 295 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3mz4 s LEU 296 N -7.20 4.29 -0.31 1.08 1.43 -1.26 -5.05 118.68 111.66 3mz4 s LEU 296 Ca 0.57 0.28 -0.41 0.00 -1.03 0.00 0.00 54.13 53.54 3mz4 s LEU 296 Cb -0.30 -3.03 -0.17 0.00 0.03 0.00 0.00 46.19 42.72 3mz4 s LEU 296 CO 0.87 0.01 1.69 0.00 0.23 0.00 0.00 176.35 179.15 3mz4 n ALA 297 N -0.56 -0.52 -3.81 4.21 0.00 -1.26 -4.81 120.51 113.76 3mz4 n ALA 297 Ca -0.06 0.42 -0.24 0.00 0.00 0.00 0.00 53.44 53.56 3mz4 n ALA 297 Cb 0.54 -2.15 -0.17 0.00 0.00 0.00 0.00 19.45 17.67 3mz4 n ALA 297 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mz4 s THR 298 N 3.26 0.57 -0.28 0.00 2.01 -0.11 -0.04 115.64 121.06 3mz4 s THR 298 Ca 0.99 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 62.85 3mz4 s THR 298 Cb -1.16 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 3mz4 s THR 298 CO 0.68 0.27 0.16 -0.22 -0.69 0.00 0.00 174.62 174.82 3mz4 s LEU 299 N 1.89 3.92 -0.21 4.42 0.20 0.71 -1.92 118.68 127.69 3mz4 s LEU 299 Ca 0.05 -0.09 -0.10 0.00 0.69 0.00 0.00 54.13 54.68 3mz4 s LEU 299 Cb -0.13 -2.07 -0.05 0.00 -0.43 0.00 0.00 46.19 43.51 3mz4 s LEU 299 CO -0.06 -0.06 0.13 -0.63 -0.29 0.00 0.00 176.35 175.43 3mz4 s ILE 300 N 1.72 5.24 0.16 6.68 -1.09 0.48 -0.42 121.20 133.98 3mz4 s ILE 300 Ca 0.07 0.13 0.09 0.00 -2.23 0.00 0.00 60.65 58.71 3mz4 s ILE 300 Cb -0.16 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 3mz4 s ILE 300 CO 0.09 0.41 -0.19 -0.76 -1.23 0.00 0.00 174.94 173.26 3mz4 s LEU 301 N 0.66 2.43 0.00 2.97 1.43 0.15 -0.53 118.68 125.79 3mz4 s LEU 301 Ca 0.07 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 3mz4 s LEU 301 Cb -0.12 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.22 3mz4 s LEU 301 CO 0.01 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.19 3mz4 n GLY 302 N 0.33 0.99 0.00 -3.19 0.00 -1.10 -1.06 105.19 101.16 3mz4 n GLY 302 Ca -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3mz4 n GLY 302 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mz4 n GLY 303 N 5.00 -0.32 3.33 -0.02 0.00 -1.07 -3.29 105.19 108.83 3mz4 n GLY 303 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 3mz4 n GLY 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mz4 n GLY 304 N 0.00 -2.52 0.00 -0.02 0.00 -1.26 -4.74 105.19 96.65 3mz4 n GLY 304 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3mz4 n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mz4 n GLY 305 N 1.61 1.68 0.03 -0.02 0.00 -1.26 -0.39 105.19 106.83 3mz4 n GLY 305 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.09 3mz4 n GLY 305 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mz4 n TYR 306 N 0.00 0.00 -3.07 1.61 4.02 -1.26 -4.67 117.16 113.78 3mz4 n TYR 306 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.44 3mz4 n TYR 306 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 3mz4 n TYR 306 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3mz4 s ASN 307 N -1.34 6.32 0.18 7.72 3.84 -1.26 -4.71 114.94 125.69 3mz4 s ASN 307 Ca 0.03 -1.63 -0.13 0.00 0.21 0.00 0.00 52.86 51.34 3mz4 s ASN 307 Cb 0.04 -2.32 0.11 0.00 -0.55 0.00 0.00 41.25 38.53 3mz4 s ASN 307 CO 0.19 -1.09 1.81 -0.07 -2.79 0.00 0.00 177.10 175.15 3mz4 h LEU 308 N 9.97 0.48 -0.74 3.21 3.38 -1.97 0.21 115.31 129.86 3mz4 h LEU 308 Ca -0.17 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 3mz4 h LEU 308 Cb 1.07 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3mz4 h LEU 308 CO 1.07 0.34 -0.08 0.00 0.09 0.00 0.00 178.44 179.86 3mz4 h ALA 309 N 1.24 0.93 -0.16 1.53 0.00 -1.92 -1.69 119.26 119.18 3mz4 h ALA 309 Ca 0.21 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3mz4 h ALA 309 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3mz4 h ALA 309 CO -0.11 0.63 -0.29 -0.91 0.00 0.00 0.00 179.25 178.57 3mz4 h ASN 310 N 0.80 0.31 -0.17 0.00 2.35 -1.85 -0.53 115.58 116.49 3mz4 h ASN 310 Ca 0.14 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3mz4 h ASN 310 Cb 0.59 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3mz4 h ASN 310 CO 0.04 0.60 0.02 0.74 -1.65 0.00 0.00 177.43 177.17 3mz4 h THR 311 N 0.27 1.23 -0.46 2.81 2.02 -0.59 0.21 112.91 118.41 3mz4 h THR 311 Ca 0.04 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.49 3mz4 h THR 311 Cb 0.65 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 3mz4 h THR 311 CO 0.05 0.23 0.23 0.00 0.37 0.00 0.00 175.52 176.40 3mz4 h ALA 312 N 0.80 0.58 -0.54 6.16 0.00 -1.25 -1.01 119.26 124.00 3mz4 h ALA 312 Ca 0.05 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3mz4 h ALA 312 Cb 0.33 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 3mz4 h ALA 312 CO 0.01 -0.12 0.06 0.00 0.00 0.00 0.00 179.25 179.19 3mz4 h ARG 313 N 0.46 0.18 0.63 0.00 3.08 -0.77 -0.68 114.38 117.27 3mz4 h ARG 313 Ca 0.20 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 3mz4 h ARG 313 Cb 0.11 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.12 3mz4 h ARG 313 CO -0.14 0.12 -0.30 0.00 -1.07 0.00 0.00 179.97 178.57 3mz4 h TRP 315 N -0.96 0.04 -0.30 0.00 6.55 -1.18 0.10 115.95 120.21 3mz4 h TRP 315 Ca -0.09 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.73 3mz4 h TRP 315 Cb 0.68 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.96 3mz4 h TRP 315 CO -0.01 0.47 0.15 1.15 -1.05 0.00 0.00 178.44 179.15 3mz4 h THR 316 N 0.03 1.14 -0.30 1.49 2.02 -1.13 0.20 112.91 116.37 3mz4 h THR 316 Ca -0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3mz4 h THR 316 Cb 0.79 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3mz4 h THR 316 CO 0.06 0.15 0.19 0.22 0.37 0.00 0.00 175.52 176.51 3mz4 h TYR 317 N 0.36 0.37 -0.53 3.16 3.20 -0.63 -0.59 116.97 122.31 3mz4 h TYR 317 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3mz4 h TYR 317 Cb 0.10 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3mz4 h TYR 317 CO -0.02 0.24 0.24 -0.07 -1.64 0.00 0.00 178.16 176.91 3mz4 h LEU 318 N 0.40 0.67 -0.82 2.82 3.38 -0.74 0.79 115.31 121.81 3mz4 h LEU 318 Ca 0.11 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3mz4 h LEU 318 Cb -0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3mz4 h LEU 318 CO -0.02 0.59 0.31 0.74 0.09 0.00 0.00 178.44 180.14 3mz4 h THR 319 N 0.75 1.26 -0.79 0.22 2.02 0.16 -1.26 112.91 115.27 3mz4 h THR 319 Ca 0.18 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 3mz4 h THR 319 Cb 0.10 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 3mz4 h THR 319 CO -0.02 0.34 0.30 1.23 0.37 0.00 0.00 175.52 177.74 3mz4 h GLY 320 N 1.15 1.27 0.64 2.16 0.00 0.05 -2.29 103.07 106.05 3mz4 h GLY 320 Ca 0.26 -0.70 0.05 0.00 0.00 0.00 0.00 47.33 46.93 3mz4 h GLY 320 CO -0.02 0.66 0.09 -2.08 0.00 0.00 0.00 176.54 175.19 3mz4 h VAL 321 N 1.15 0.86 -0.89 4.60 2.07 -0.52 0.80 116.25 124.32 3mz4 h VAL 321 Ca 0.26 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.79 3mz4 h VAL 321 Cb 0.23 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 3mz4 h VAL 321 CO -0.02 0.04 0.58 0.40 0.02 0.00 0.00 177.57 178.59 3mz4 h ILE 322 N 0.22 1.00 -0.35 4.57 2.04 -0.93 -1.45 117.51 122.61 3mz4 h ILE 322 Ca 0.16 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3mz4 h ILE 322 Cb 0.16 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3mz4 h ILE 322 CO -0.19 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.31 3mz4 n LEU 323 N -4.52 2.03 -1.99 1.44 4.77 -0.76 -4.91 117.00 113.05 3mz4 n LEU 323 Ca 0.15 -0.99 -0.17 0.00 -0.03 0.00 0.00 56.01 54.97 3mz4 n LEU 323 Cb 0.27 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3mz4 n LEU 323 CO 0.32 0.49 -0.19 0.61 -1.33 0.00 0.00 177.39 177.29 3mz4 n GLY 324 N 1.13 0.48 3.78 -0.72 0.00 -0.55 -4.99 105.19 104.32 3mz4 n GLY 324 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3mz4 n GLY 324 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mz4 s LYS 325 N -4.30 3.19 -0.16 1.61 -0.14 0.20 -5.01 119.74 115.14 3mz4 s LYS 325 Ca 0.00 -0.29 -0.16 0.00 -1.36 0.00 0.00 55.97 54.16 3mz4 s LYS 325 Cb 0.00 -2.97 -0.04 0.00 -1.68 0.00 0.00 37.83 33.13 3mz4 s LYS 325 CO 0.00 0.73 0.39 0.99 -0.76 0.00 0.00 175.35 176.70 3mz4 s THR 326 N -0.97 5.24 0.06 2.17 2.01 -1.26 -4.15 115.64 118.73 3mz4 s THR 326 Ca 0.15 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.88 3mz4 s THR 326 Cb -0.12 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 3mz4 s THR 326 CO 0.04 0.33 0.21 -0.76 -0.69 0.00 0.00 174.62 173.75 3mz4 s LEU 327 N 0.75 4.35 0.35 4.42 1.43 -1.26 -5.06 118.68 123.65 3mz4 s LEU 327 Ca 0.20 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.28 3mz4 s LEU 327 Cb -0.14 -2.95 -0.11 0.00 0.03 0.00 0.00 46.19 43.01 3mz4 s LEU 327 CO 0.07 0.16 1.53 -0.24 0.23 0.00 0.00 176.35 178.11 3mz4 n SER 328 N 0.25 3.84 0.03 2.29 2.88 -1.26 -4.90 113.62 116.75 3mz4 n SER 328 Ca -0.05 1.20 0.05 0.00 -1.33 0.00 0.00 58.87 58.74 3mz4 n SER 328 Cb 0.51 -1.61 0.46 0.00 -0.75 0.00 0.00 64.21 62.81 3mz4 n SER 328 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3mz4 h SER 329 N 3.66 0.41 -3.01 -3.46 0.87 -1.98 -3.43 113.55 106.61 3mz4 h SER 329 Ca -0.49 -0.01 -0.57 0.00 -1.23 0.00 0.00 61.79 59.48 3mz4 h SER 329 Cb 1.23 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 63.04 3mz4 h SER 329 CO 0.70 0.29 0.84 -1.61 -0.53 0.00 0.00 176.83 176.52 3mz4 s GLU 330 N -5.44 4.25 0.01 2.24 2.02 -1.26 -0.16 118.70 120.36 3mz4 s GLU 330 Ca -0.08 1.49 -0.31 0.00 0.02 0.00 0.00 54.97 56.10 3mz4 s GLU 330 Cb 0.17 -3.69 -0.10 0.00 0.10 0.00 0.00 34.13 30.62 3mz4 s GLU 330 CO 0.72 -0.65 1.96 -0.89 0.02 0.00 0.00 175.26 176.42 3mz4 n ILE 331 N 5.32 0.73 -2.02 -1.63 2.08 -0.48 -4.87 119.36 118.49 3mz4 n ILE 331 Ca 0.13 -0.13 -0.36 0.00 0.56 0.00 0.00 62.75 62.94 3mz4 n ILE 331 Cb 0.46 -2.22 0.03 0.00 -0.75 0.00 0.00 39.64 37.15 3mz4 n ILE 331 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 3mz4 s PRO 332 N 4.40 3.08 0.24 0.38 0.02 -1.26 -4.96 135.00 136.92 3mz4 s PRO 332 Ca 0.90 1.86 -0.31 0.00 0.02 0.00 0.00 61.00 63.47 3mz4 s PRO 332 Cb -0.49 -2.02 -0.13 0.00 0.02 0.00 0.00 34.50 31.88 3mz4 s PRO 332 CO 0.44 -1.12 1.50 -3.47 -0.33 0.00 0.00 177.00 174.02 3mz4 n ASP 333 N -1.40 3.20 -3.11 2.53 2.03 -1.26 -4.82 116.55 113.72 3mz4 n ASP 333 Ca 0.13 1.13 -0.03 0.00 0.52 0.00 0.00 54.79 56.54 3mz4 n ASP 333 Cb 0.49 -1.49 0.02 0.00 -0.72 0.00 0.00 41.12 39.42 3mz4 n ASP 333 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mz4 n HIS 334 N 2.28 -1.26 -0.33 -0.67 1.44 -1.26 -4.96 115.22 110.46 3mz4 n HIS 334 Ca 0.12 -1.15 0.17 0.00 -2.01 0.00 0.00 57.72 54.84 3mz4 n HIS 334 Cb 0.33 0.56 0.33 0.00 0.12 0.00 0.00 29.99 31.33 3mz4 n HIS 334 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3mz4 h GLU 335 N 0.00 0.04 -0.35 -1.40 4.81 -1.93 -2.04 114.58 113.72 3mz4 h GLU 335 Ca -0.25 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.92 3mz4 h GLU 335 Cb 1.09 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 3mz4 h GLU 335 CO 0.33 0.03 0.02 1.19 -0.73 0.00 0.00 179.01 179.85 3mz4 n PHE 336 N -5.41 1.21 -0.34 0.92 3.72 -1.26 -4.69 117.46 111.62 3mz4 n PHE 336 Ca 0.25 -1.03 0.18 0.00 -0.05 0.00 0.00 57.45 56.80 3mz4 n PHE 336 Cb 0.82 -0.40 0.35 0.00 -0.94 0.00 0.00 39.48 39.31 3mz4 n PHE 336 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3mz4 h PHE 337 N 1.88 0.14 0.00 1.38 3.04 -1.68 0.33 116.94 122.03 3mz4 h PHE 337 Ca 0.07 0.06 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 3mz4 h PHE 337 Cb 1.62 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 40.23 3mz4 h PHE 337 CO 0.71 -0.44 -0.16 1.79 -2.02 0.00 0.00 178.31 178.19 3mz4 h THR 338 N 0.01 0.59 0.00 4.41 1.35 -1.85 -2.26 112.91 115.16 3mz4 h THR 338 Ca 0.65 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3mz4 h THR 338 Cb 1.44 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3mz4 h THR 338 CO -0.89 0.16 0.00 0.00 -0.25 0.00 0.00 175.52 174.54 3mz4 n ALA 339 N -2.27 1.05 0.27 6.62 0.00 0.11 -2.92 120.51 123.37 3mz4 n ALA 339 Ca -0.01 0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.65 3mz4 n ALA 339 Cb 0.30 -1.24 0.13 0.00 0.00 0.00 0.00 19.45 18.64 3mz4 n ALA 339 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mz4 n TYR 340 N -2.07 0.28 -1.24 0.00 4.02 -0.85 -4.83 117.16 112.48 3mz4 n TYR 340 Ca -0.01 -0.21 -0.30 0.00 -0.01 0.00 0.00 57.90 57.36 3mz4 n TYR 340 Cb 0.03 -0.01 0.11 0.00 -0.02 0.00 0.00 39.34 39.45 3mz4 n TYR 340 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3mz4 s GLY 341 N -1.18 1.65 0.10 2.72 0.00 -1.15 -0.61 107.32 108.86 3mz4 s GLY 341 Ca 0.24 0.11 0.27 0.00 0.00 0.00 0.00 44.72 45.34 3mz4 s GLY 341 CO 0.21 0.52 1.69 -1.55 0.00 0.00 0.00 173.10 173.97 3mz4 n PRO 342 N -3.68 0.15 -0.04 2.90 -0.04 -1.26 -4.77 135.00 128.26 3mz4 n PRO 342 Ca 0.08 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3mz4 n PRO 342 Cb 0.54 -1.65 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 3mz4 n PRO 342 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3mz4 n ASP 343 N -1.89 0.18 -3.57 3.54 8.00 -1.24 -5.02 116.55 116.55 3mz4 n ASP 343 Ca 0.06 0.08 -0.26 0.00 0.71 0.00 0.00 54.79 55.38 3mz4 n ASP 343 Cb 0.39 1.20 0.05 0.00 -0.02 0.00 0.00 41.12 42.74 3mz4 n ASP 343 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3mz4 n TYR 344 N -2.59 -2.49 -4.34 1.24 4.01 0.22 -4.98 117.16 108.24 3mz4 n TYR 344 Ca -0.17 0.86 -0.28 0.00 -0.16 0.00 0.00 57.90 58.15 3mz4 n TYR 344 Cb 0.87 -4.50 -0.11 0.00 -0.31 0.00 0.00 39.34 35.29 3mz4 n TYR 344 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3mz4 s VAL 345 N -3.26 2.78 0.29 -0.72 -7.23 -1.26 -1.38 120.40 109.62 3mz4 s VAL 345 Ca 0.55 -1.73 0.11 0.00 -1.81 0.00 0.00 61.98 59.10 3mz4 s VAL 345 Cb -0.26 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.36 3mz4 s VAL 345 CO 0.68 -0.04 1.67 0.25 -0.31 0.00 0.00 175.10 177.35 3mz4 h LEU 346 N 3.29 0.00 -9.99 1.32 5.85 -0.84 -3.45 115.31 111.49 3mz4 h LEU 346 Ca -0.48 0.00 -0.48 0.00 0.84 0.00 0.00 57.88 57.76 3mz4 h LEU 346 Cb 1.19 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.24 3mz4 h LEU 346 CO 0.49 0.55 0.41 -1.61 -0.34 0.00 0.00 178.44 177.94 3mz4 s GLU 347 N -3.75 4.06 -0.14 1.25 8.01 -1.26 -4.84 118.70 122.02 3mz4 s GLU 347 Ca -0.02 1.48 -0.01 0.00 0.01 0.00 0.00 54.97 56.44 3mz4 s GLU 347 Cb 0.13 -2.43 -0.01 0.00 -4.31 0.00 0.00 34.13 27.51 3mz4 s GLU 347 CO 0.75 -0.23 -0.12 0.42 0.01 0.00 0.00 175.26 176.09 3mz4 s ILE 348 N -1.73 3.05 -0.03 -1.63 1.01 -1.26 -5.11 121.20 115.49 3mz4 s ILE 348 Ca 0.60 -0.65 -0.19 0.00 0.00 0.00 0.00 60.65 60.41 3mz4 s ILE 348 Cb -0.21 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 3mz4 s ILE 348 CO 0.26 0.51 0.54 -0.89 0.00 0.00 0.00 174.94 175.36 3mz4 s THR 349 N 0.54 4.99 0.65 2.92 2.01 -1.26 -4.87 115.64 120.62 3mz4 s THR 349 Ca -0.08 1.12 -0.18 0.00 0.31 0.00 0.00 61.69 62.86 3mz4 s THR 349 Cb -0.16 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 3mz4 s THR 349 CO 0.04 0.42 1.17 -2.65 -0.69 0.00 0.00 174.62 172.91 3mz4 n PRO 350 N 2.83 0.98 -1.79 4.92 -0.02 -1.26 -4.86 135.00 135.80 3mz4 n PRO 350 Ca -0.08 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.50 3mz4 n PRO 350 Cb 0.51 -2.40 0.16 0.00 -0.02 0.00 0.00 33.50 31.74 3mz4 n PRO 350 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mz4 s SER 351 N -1.38 3.38 -0.05 2.55 1.04 -1.26 -4.98 113.70 112.99 3mz4 s SER 351 Ca 0.80 0.54 0.16 0.00 0.48 0.00 0.00 55.95 57.93 3mz4 s SER 351 Cb -0.39 -0.80 0.54 0.00 0.10 0.00 0.00 66.02 65.47 3mz4 s SER 351 CO 0.43 -2.59 1.44 0.00 0.98 0.00 0.00 173.24 173.49 3mz4 s ARG 353 N -1.56 3.91 0.51 0.00 1.81 -1.26 -4.93 118.95 117.42 3mz4 s ARG 353 Ca 0.39 2.50 -0.23 0.00 -1.72 0.00 0.00 55.73 56.68 3mz4 s ARG 353 Cb 0.24 -2.82 -0.06 0.00 -0.45 0.00 0.00 34.95 31.85 3mz4 s ARG 353 CO 0.22 -0.67 1.34 -1.25 -0.68 0.00 0.00 175.30 174.26 3mz4 s PRO 354 N -2.26 3.37 -0.40 3.54 0.04 -1.26 -4.94 135.00 133.09 3mz4 s PRO 354 Ca 0.57 2.20 -0.24 0.00 0.04 0.00 0.00 61.00 63.56 3mz4 s PRO 354 Cb -0.45 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 31.72 3mz4 s PRO 354 CO 0.60 -0.99 0.84 0.34 0.04 0.00 0.00 177.00 177.83 3mz4 s ASP 355 N -0.92 6.55 -0.02 6.66 2.15 -1.26 -4.11 116.67 125.72 3mz4 s ASP 355 Ca 0.68 0.29 0.13 0.00 0.43 0.00 0.00 52.55 54.08 3mz4 s ASP 355 Cb -0.39 -2.42 0.42 0.00 -0.30 0.00 0.00 42.92 40.23 3mz4 s ASP 355 CO 0.48 -0.84 1.33 0.54 -0.17 0.00 0.00 175.17 176.50 3mz4 n ARG 356 N 6.68 2.26 -2.98 4.34 5.12 -0.67 -4.81 116.66 126.59 3mz4 n ARG 356 Ca 0.04 -1.69 -0.43 0.00 -1.93 0.00 0.00 57.85 53.84 3mz4 n ARG 356 Cb 0.48 -1.45 -0.05 0.00 -1.16 0.00 0.00 32.46 30.29 3mz4 n ARG 356 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3mz4 s ASN 357 N -0.92 6.27 0.12 0.55 0.01 -1.26 -4.85 114.94 114.86 3mz4 s ASN 357 Ca 0.31 -0.68 -0.31 0.00 -0.71 0.00 0.00 52.86 51.47 3mz4 s ASN 357 Cb 0.17 -2.37 -0.08 0.00 0.41 0.00 0.00 41.25 39.38 3mz4 s ASN 357 CO 0.19 -1.10 1.44 -1.61 -1.51 0.00 0.00 177.10 174.51 3mz4 s GLU 358 N 3.35 4.29 0.37 -0.60 0.41 -1.26 -4.93 118.70 120.32 3mz4 s GLU 358 Ca 0.22 2.15 0.09 0.00 -0.41 0.00 0.00 54.97 57.02 3mz4 s GLU 358 Cb -0.16 -3.24 0.83 0.00 -1.78 0.00 0.00 34.13 29.78 3mz4 s GLU 358 CO 0.15 -0.49 1.89 -1.35 -0.49 0.00 0.00 175.26 174.97 3mz4 h PRO 359 N 6.86 0.65 -0.66 0.39 0.11 -2.00 -2.11 132.00 135.24 3mz4 h PRO 359 Ca -0.42 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3mz4 h PRO 359 Cb 1.21 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3mz4 h PRO 359 CO 0.88 0.43 0.33 1.25 -0.21 0.00 0.00 178.00 180.68 3mz4 h HIS 360 N 0.67 0.95 -0.41 0.65 -0.00 -1.99 -1.17 115.15 113.86 3mz4 h HIS 360 Ca 0.41 -0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.66 3mz4 h HIS 360 Cb 0.64 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 3mz4 h HIS 360 CO -0.00 0.70 -0.04 -0.09 -0.00 0.00 0.00 177.93 178.50 3mz4 h ARG 361 N 0.92 0.75 -0.64 5.26 9.65 -1.80 -0.69 114.38 127.83 3mz4 h ARG 361 Ca 0.23 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3mz4 h ARG 361 Cb 0.10 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 3mz4 h ARG 361 CO -0.03 0.85 0.40 0.82 2.80 0.00 0.00 179.97 184.82 3mz4 h ILE 362 N 0.57 1.17 -0.78 1.20 1.08 -1.30 -0.28 117.51 119.18 3mz4 h ILE 362 Ca 0.11 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 3mz4 h ILE 362 Cb 0.55 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 3mz4 h ILE 362 CO 0.03 0.17 0.34 -0.61 -0.69 0.00 0.00 178.15 177.39 3mz4 h GLN 363 N 0.86 1.14 -0.33 2.37 5.75 -1.11 -0.98 115.11 122.82 3mz4 h GLN 363 Ca 0.23 -0.19 0.03 0.00 -0.15 0.00 0.00 58.65 58.57 3mz4 h GLN 363 Cb -0.06 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 3mz4 h GLN 363 CO -0.05 0.91 0.13 0.37 -2.65 0.00 0.00 178.83 177.54 3mz4 h GLN 364 N 1.11 0.27 -0.10 1.69 4.15 -0.48 -0.94 115.11 120.81 3mz4 h GLN 364 Ca 0.26 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.66 3mz4 h GLN 364 Cb 0.17 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 3mz4 h GLN 364 CO -0.03 0.18 0.06 0.82 -1.93 0.00 0.00 178.83 177.93 3mz4 h ILE 365 N 0.28 1.08 -0.69 2.39 2.04 -0.75 -1.27 117.51 120.59 3mz4 h ILE 365 Ca 0.15 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3mz4 h ILE 365 Cb 0.10 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3mz4 h ILE 365 CO -0.14 0.07 0.45 -0.07 0.00 0.00 0.00 178.15 178.47 3mz4 h LEU 366 N 0.09 0.76 -0.53 1.44 3.38 -1.07 -2.04 115.31 117.34 3mz4 h LEU 366 Ca 0.04 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3mz4 h LEU 366 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3mz4 h LEU 366 CO -0.01 0.54 -0.50 0.78 0.09 0.00 0.00 178.44 179.35 3mz4 h ASN 367 N 0.90 0.68 -0.25 -0.43 2.35 -0.71 -1.06 115.58 117.05 3mz4 h ASN 367 Ca 0.26 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3mz4 h ASN 367 Cb -0.05 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3mz4 h ASN 367 CO -0.06 1.06 0.12 1.88 -1.65 0.00 0.00 177.43 178.78 3mz4 h TYR 368 N 0.49 0.23 -0.63 1.19 0.99 -0.96 -2.13 116.97 116.15 3mz4 h TYR 368 Ca 0.02 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 3mz4 h TYR 368 Cb 1.04 -0.07 -0.03 0.00 1.00 0.00 0.00 36.73 38.68 3mz4 h TYR 368 CO 0.05 0.13 0.22 0.82 -0.00 0.00 0.00 178.16 179.37 3mz4 h ILE 369 N 0.26 1.24 -0.61 -2.88 2.04 -1.29 -1.17 117.51 115.11 3mz4 h ILE 369 Ca 0.10 -0.79 0.12 0.00 1.00 0.00 0.00 64.86 65.29 3mz4 h ILE 369 Cb 0.03 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 36.60 3mz4 h ILE 369 CO -0.08 0.31 0.11 0.50 0.00 0.00 0.00 178.15 178.99 3mz4 h LYS 370 N 0.89 0.23 0.11 2.37 3.64 -1.06 -1.54 116.57 121.21 3mz4 h LYS 370 Ca 0.20 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3mz4 h LYS 370 Cb 0.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3mz4 h LYS 370 CO -0.01 0.15 -0.05 0.78 -2.27 0.00 0.00 179.45 178.05 3mz4 h GLY 371 N 0.23 -0.16 0.33 5.01 0.00 -0.91 -2.97 103.07 104.62 3mz4 h GLY 371 Ca 0.32 0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.84 3mz4 h GLY 371 CO -0.43 -0.06 0.46 3.43 0.00 0.00 0.00 176.54 179.95 3mz4 h ASN 372 N -0.30 0.61 1.19 0.19 2.35 -0.89 -2.27 115.58 116.46 3mz4 h ASN 372 Ca -0.02 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3mz4 h ASN 372 Cb 0.25 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3mz4 h ASN 372 CO 0.03 0.29 0.00 -0.07 -1.65 0.00 0.00 177.43 176.03 3mz4 h LEU 373 N 0.70 0.00 -2.60 1.61 3.38 -1.13 -2.37 115.31 114.90 3mz4 h LEU 373 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3mz4 h LEU 373 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3mz4 h LEU 373 CO -0.32 0.00 0.02 0.11 0.09 0.00 0.00 178.44 178.35 3mz4 h LYS 374 N 0.00 0.00 0.00 1.13 1.79 -1.30 -2.02 116.57 116.17 3mz4 h LYS 374 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 3mz4 h LYS 374 Cb 0.60 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 3mz4 h LYS 374 CO 0.00 0.00 -0.17 0.45 -1.08 0.00 0.00 179.45 178.65 3mz4 h HIS 375 N 0.00 0.00 -3.48 -1.35 3.86 -1.59 -3.42 115.15 109.17 3mz4 h HIS 375 Ca 0.01 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.66 3mz4 h HIS 375 Cb 0.06 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 3mz4 h HIS 375 CO 0.00 0.17 0.99 0.08 0.86 0.00 0.00 177.93 180.04 3mz4 s VAL 376 N -3.27 4.06 -0.06 2.45 1.01 -0.76 -4.95 120.40 118.88 3mz4 s VAL 376 Ca 0.04 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.08 3mz4 s VAL 376 Cb 0.07 -4.48 0.03 0.00 0.00 0.00 0.00 36.38 32.00 3mz4 s VAL 376 CO 0.67 -0.97 0.01 -0.69 0.00 0.00 0.00 175.10 174.11 3mz4 s VAL 377 N 4.93 0.28 -2.54 2.92 1.01 -1.26 -4.75 120.40 120.98 3mz4 s VAL 377 Ca 0.52 0.15 0.28 0.00 0.00 0.00 0.00 61.98 62.93 3mz4 s VAL 377 Cb -0.09 -0.44 0.52 0.00 0.00 0.00 0.00 36.38 36.37 3mz4 s VAL 377 CO 0.31 0.23 1.71 -0.38 0.00 0.00 0.00 175.10 176.97