#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mz4 s GLU 2 N 0.00 2.53 -1.14 0.00 2.02 -1.26 -4.93 118.70 115.92 1mz4 s GLU 2 Ca 0.00 -1.29 -0.09 0.00 0.02 0.00 0.00 54.97 53.61 1mz4 s GLU 2 Cb 0.00 -2.65 -0.13 0.00 0.10 0.00 0.00 34.13 31.44 1mz4 s GLU 2 CO 0.00 -0.61 3.04 1.28 0.02 0.00 0.00 175.26 178.99 1mz4 n LEU 3 N -2.12 7.49 -4.86 1.80 4.77 -1.26 -4.79 117.00 118.03 1mz4 n LEU 3 Ca 0.11 -3.91 -0.29 0.00 -0.03 0.00 0.00 56.01 51.89 1mz4 n LEU 3 Cb 0.60 -1.47 0.09 0.00 -2.33 0.00 0.00 43.42 40.31 1mz4 n LEU 3 CO 0.40 1.84 0.76 0.42 -1.33 0.00 0.00 177.39 179.48 1mz4 s THR 4 N 1.98 2.37 0.25 -5.08 -4.23 -1.26 -4.79 115.64 104.89 1mz4 s THR 4 Ca 0.66 0.12 -0.04 0.00 -1.18 0.00 0.00 61.69 61.25 1mz4 s THR 4 Cb 0.21 -3.04 0.25 0.00 1.34 0.00 0.00 72.50 71.26 1mz4 s THR 4 CO -0.04 -0.16 1.68 -0.65 -0.54 0.00 0.00 174.62 174.91 1mz4 h PRO 5 N -1.09 0.24 -0.13 3.99 0.11 -1.98 -1.22 132.00 131.92 1mz4 h PRO 5 Ca -0.47 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1mz4 h PRO 5 Cb 1.31 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1mz4 h PRO 5 CO 0.64 0.16 -0.34 1.49 -0.21 0.00 0.00 178.00 179.75 1mz4 h GLU 6 N 0.25 0.26 -0.44 1.05 4.57 -1.93 0.03 114.58 118.37 1mz4 h GLU 6 Ca 0.44 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.44 1mz4 h GLU 6 Cb 0.78 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 1mz4 h GLU 6 CO -0.55 0.57 -0.00 0.28 -1.18 0.00 0.00 179.01 178.13 1mz4 h VAL 7 N 0.23 1.26 0.00 0.32 2.07 -1.56 -3.15 116.25 115.43 1mz4 h VAL 7 Ca 0.03 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1mz4 h VAL 7 Cb 0.71 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1mz4 h VAL 7 CO 0.05 0.36 -0.34 0.18 0.02 0.00 0.00 177.57 177.84 1mz4 n LEU 8 N -4.39 0.46 -4.65 2.57 4.77 -0.81 -4.70 117.00 110.25 1mz4 n LEU 8 Ca -0.00 0.26 -0.38 0.00 -0.03 0.00 0.00 56.01 55.86 1mz4 n LEU 8 Cb 0.30 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1mz4 n LEU 8 CO 0.41 0.01 -0.04 -0.89 -1.33 0.00 0.00 177.39 175.55 1mz4 s THR 9 N -3.05 5.27 0.16 -5.08 2.01 -0.02 -0.69 115.64 114.23 1mz4 s THR 9 Ca 0.11 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.54 1mz4 s THR 9 Cb 0.16 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1mz4 s THR 9 CO 0.65 0.27 0.01 0.68 -0.69 0.00 0.00 174.62 175.54 1mz4 s VAL 10 N 1.37 0.57 0.22 3.82 -7.23 -0.52 -4.87 120.40 113.77 1mz4 s VAL 10 Ca 0.13 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.03 1mz4 s VAL 10 Cb -0.15 -2.06 -0.10 0.00 0.56 0.00 0.00 36.38 34.63 1mz4 s VAL 10 CO 0.07 -0.51 1.52 -2.84 -0.31 0.00 0.00 175.10 173.03 1mz4 s PRO 11 N -3.93 4.22 -0.05 4.82 0.02 -1.26 -1.27 135.00 137.54 1mz4 s PRO 11 Ca 0.23 2.38 -0.08 0.00 0.02 0.00 0.00 61.00 63.55 1mz4 s PRO 11 Cb 0.06 -3.11 -0.29 0.00 0.02 0.00 0.00 34.50 31.18 1mz4 s PRO 11 CO 0.03 -0.54 0.66 1.25 -0.33 0.00 0.00 177.00 178.07 1mz4 h LEU 12 N 5.74 0.53 0.00 -5.54 5.85 -0.78 -0.81 115.31 120.30 1mz4 h LEU 12 Ca -0.45 -0.83 -0.40 0.00 0.84 0.00 0.00 57.88 57.05 1mz4 h LEU 12 Cb 1.21 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.97 1mz4 h LEU 12 CO 0.84 1.70 -0.35 -0.46 -0.34 0.00 0.00 178.44 179.83 1mz4 n ASN 13 N -3.53 -0.86 -0.04 1.25 0.23 -1.21 -0.73 115.26 110.36 1mz4 n ASN 13 Ca -0.24 -3.00 0.14 0.00 -0.53 0.00 0.00 54.58 50.96 1mz4 n ASN 13 Cb 1.07 1.84 0.66 0.00 -2.08 0.00 0.00 39.78 41.27 1mz4 n ASN 13 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1mz4 n SER 14 N -1.72 0.19 0.07 0.53 3.41 -1.26 -3.44 113.62 111.41 1mz4 n SER 14 Ca 0.05 -0.23 0.13 0.00 -0.26 0.00 0.00 58.87 58.56 1mz4 n SER 14 Cb 0.57 -0.20 0.35 0.00 -0.26 0.00 0.00 64.21 64.67 1mz4 n SER 14 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1mz4 n GLU 15 N -1.20 0.23 0.00 4.33 4.71 -1.26 -4.93 120.64 122.51 1mz4 n GLU 15 Ca 0.13 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 1mz4 n GLU 15 Cb 0.27 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 28.98 1mz4 n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1mz4 n GLY 16 N 1.35 1.42 3.75 0.62 0.00 -1.22 -5.10 105.19 106.00 1mz4 n GLY 16 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1mz4 n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mz4 s LYS 17 N -0.12 2.94 0.29 1.61 2.20 -1.26 -4.86 119.74 120.54 1mz4 s LYS 17 Ca 0.00 1.87 0.06 0.00 -0.36 0.00 0.00 55.97 57.54 1mz4 s LYS 17 Cb 0.00 -1.94 -0.06 0.00 -1.51 0.00 0.00 37.83 34.32 1mz4 s LYS 17 CO 0.00 -1.24 -0.03 0.95 -0.36 0.00 0.00 175.35 174.67 1mz4 s THR 18 N -1.55 1.54 -0.03 3.43 -4.23 -1.26 -0.11 115.64 113.44 1mz4 s THR 18 Ca 0.78 -2.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.18 1mz4 s THR 18 Cb -0.32 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.03 1mz4 s THR 18 CO 0.34 -0.25 0.06 -0.51 -0.54 0.00 0.00 174.62 173.73 1mz4 s ILE 19 N -3.07 -0.02 -0.45 2.99 2.07 -0.40 -4.67 121.20 117.65 1mz4 s ILE 19 Ca 0.31 0.08 -0.13 0.00 -1.41 0.00 0.00 60.65 59.49 1mz4 s ILE 19 Cb 0.05 -0.10 0.07 0.00 0.13 0.00 0.00 42.46 42.61 1mz4 s ILE 19 CO 0.12 0.03 0.35 -0.89 -1.91 0.00 0.00 174.94 172.64 1mz4 s THR 20 N 0.45 4.92 0.54 4.00 2.01 -1.26 -1.44 115.64 124.86 1mz4 s THR 20 Ca -0.04 -1.14 -0.21 0.00 0.31 0.00 0.00 61.69 60.61 1mz4 s THR 20 Cb -0.05 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1mz4 s THR 20 CO -0.02 -0.54 1.26 -0.76 -0.69 0.00 0.00 174.62 173.88 1mz4 s LEU 21 N 1.58 3.83 0.56 4.42 1.43 0.13 -4.95 118.68 125.68 1mz4 s LEU 21 Ca 0.04 2.53 -0.06 0.00 -1.03 0.00 0.00 54.13 55.61 1mz4 s LEU 21 Cb -0.24 -4.37 -0.00 0.00 0.03 0.00 0.00 46.19 41.61 1mz4 s LEU 21 CO 0.05 -1.42 0.87 0.42 0.23 0.00 0.00 176.35 176.51 1mz4 s THR 22 N -1.46 3.96 0.36 5.49 -4.23 -1.26 -4.86 115.64 113.64 1mz4 s THR 22 Ca 0.72 0.04 0.05 0.00 -1.18 0.00 0.00 61.69 61.32 1mz4 s THR 22 Cb -0.34 -3.55 0.20 0.00 1.34 0.00 0.00 72.50 70.14 1mz4 s THR 22 CO 0.40 -0.56 1.94 -0.08 -0.54 0.00 0.00 174.62 175.78 1mz4 h GLU 23 N -0.07 0.54 -0.60 3.99 4.81 -1.98 -0.65 114.58 120.61 1mz4 h GLU 23 Ca -0.46 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 58.64 1mz4 h GLU 23 Cb 1.24 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1mz4 h GLU 23 CO 0.61 0.49 0.19 -0.22 -0.73 0.00 0.00 179.01 179.34 1mz4 h LYS 24 N 0.53 0.93 -0.34 1.92 3.64 -1.99 -0.97 116.57 120.29 1mz4 h LYS 24 Ca 0.13 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1mz4 h LYS 24 Cb 0.19 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1mz4 h LYS 24 CO -0.01 0.83 -0.03 1.96 -2.27 0.00 0.00 179.45 179.94 1mz4 h GLN 25 N 0.85 0.54 -0.22 1.90 4.20 -1.67 0.34 115.11 121.06 1mz4 h GLN 25 Ca 0.19 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1mz4 h GLN 25 Cb 0.29 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1mz4 h GLN 25 CO -0.01 0.59 0.09 -0.92 -0.67 0.00 0.00 178.83 177.91 1mz4 h TYR 26 N 0.51 0.33 -0.50 2.96 3.20 -0.56 0.78 116.97 123.69 1mz4 h TYR 26 Ca 0.11 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1mz4 h TYR 26 Cb 0.38 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1mz4 h TYR 26 CO 0.01 0.36 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.73 1mz4 h LEU 27 N 0.20 0.95 -0.83 2.82 3.38 -0.78 -2.47 115.31 118.58 1mz4 h LEU 27 Ca 0.07 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1mz4 h LEU 27 Cb 0.17 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1mz4 h LEU 27 CO -0.01 1.07 0.33 -0.33 0.09 0.00 0.00 178.44 179.59 1mz4 h GLU 28 N 0.81 1.19 -0.94 1.13 5.08 -0.84 -2.28 114.58 118.72 1mz4 h GLU 28 Ca 0.13 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1mz4 h GLU 28 Cb 0.64 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 1mz4 h GLU 28 CO 0.04 0.96 0.62 0.78 -1.00 0.00 0.00 179.01 180.41 1mz4 h GLY 29 N 1.17 1.33 1.04 -3.84 0.00 -0.60 0.98 103.07 103.15 1mz4 h GLY 29 Ca 0.27 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1mz4 h GLY 29 CO -0.02 0.48 -0.04 0.50 0.00 0.00 0.00 176.54 177.46 1mz4 h LYS 30 N 1.27 0.93 -0.09 4.80 1.57 -1.12 -0.22 116.57 123.71 1mz4 h LYS 30 Ca 0.35 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1mz4 h LYS 30 Cb -0.13 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 1mz4 h LYS 30 CO -0.08 0.97 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.68 1mz4 h ARG 31 N 0.80 0.16 -0.38 3.15 2.43 -0.92 -2.22 114.38 117.39 1mz4 h ARG 31 Ca 0.14 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 1mz4 h ARG 31 Cb 0.57 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1mz4 h ARG 31 CO 0.03 0.42 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.55 1mz4 h LEU 32 N -0.13 0.84 -0.57 3.80 3.38 -0.81 -1.89 115.31 119.94 1mz4 h LEU 32 Ca 0.02 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 1mz4 h LEU 32 Cb 0.35 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1mz4 h LEU 32 CO 0.00 1.07 -0.01 0.15 0.09 0.00 0.00 178.44 179.74 1mz4 h PHE 33 N 0.69 1.11 -0.76 1.13 3.04 -1.05 -0.29 116.94 120.81 1mz4 h PHE 33 Ca 0.08 -0.20 -0.03 0.00 3.98 0.00 0.00 57.97 61.80 1mz4 h PHE 33 Cb 0.83 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 39.02 1mz4 h PHE 33 CO 0.05 1.00 0.36 0.37 -2.02 0.00 0.00 178.31 178.06 1mz4 h GLN 34 N 0.90 1.10 -0.04 1.11 5.75 -1.29 0.16 115.11 122.81 1mz4 h GLN 34 Ca 0.16 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1mz4 h GLN 34 Cb 0.57 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.92 1mz4 h GLN 34 CO 0.03 0.87 -0.01 -0.92 -2.65 0.00 0.00 178.83 176.15 1mz4 h TYR 35 N 1.08 0.08 -0.00 3.99 3.20 -0.99 -3.34 116.97 120.99 1mz4 h TYR 35 Ca 0.26 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1mz4 h TYR 35 Cb 0.13 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1mz4 h TYR 35 CO 0.01 0.41 -0.65 0.00 -1.64 0.00 0.00 178.16 176.29 1mz4 n ALA 36 N -2.29 3.81 0.00 1.82 0.00 -0.15 -4.81 120.51 118.88 1mz4 n ALA 36 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1mz4 n ALA 36 Cb 0.21 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1mz4 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mz4 h ALA 38 N 0.00 2.54 -0.82 0.00 0.00 -1.08 -0.28 119.26 119.62 1mz4 h ALA 38 Ca 0.00 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.08 1mz4 h ALA 38 Cb 0.64 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1mz4 h ALA 38 CO 0.00 -0.71 0.56 0.66 0.00 0.00 0.00 179.25 179.76 1mz4 h SER 39 N 0.01 0.30 0.00 0.00 4.64 -1.86 -0.75 113.55 115.89 1mz4 h SER 39 Ca 0.28 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1mz4 h SER 39 Cb 1.10 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1mz4 h SER 39 CO -0.01 0.13 -1.00 0.00 -0.87 0.00 0.00 176.83 175.08 1mz4 n HIS 41 N -1.53 0.00 -1.62 0.00 8.25 -0.18 -1.41 115.22 118.72 1mz4 n HIS 41 Ca -0.00 -1.15 -0.55 0.00 -0.26 0.00 0.00 57.72 55.75 1mz4 n HIS 41 Cb 0.08 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 30.94 1mz4 n HIS 41 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1mz4 n VAL 42 N -1.33 0.08 -1.20 1.59 3.14 -0.30 -0.35 118.33 119.96 1mz4 n VAL 42 Ca 0.17 -0.01 -0.07 0.00 -2.96 0.00 0.00 64.34 61.46 1mz4 n VAL 42 Cb 0.66 -0.80 -0.03 0.00 -1.06 0.00 0.00 33.84 32.61 1mz4 n VAL 42 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1mz4 n GLY 43 N 2.89 0.82 0.98 7.55 0.00 -1.26 -2.92 105.19 113.26 1mz4 n GLY 43 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1mz4 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mz4 n GLY 44 N -0.84 0.68 3.55 -0.02 0.00 0.52 0.43 105.19 109.51 1mz4 n GLY 44 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1mz4 n GLY 44 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1mz4 n ILE 45 N -2.02 0.00 -3.54 -0.61 -5.35 -1.15 -1.22 119.36 105.47 1mz4 n ILE 45 Ca 0.00 -1.15 -0.28 0.00 -0.27 0.00 0.00 62.75 61.04 1mz4 n ILE 45 Cb 0.00 -1.26 -0.15 0.00 -1.74 0.00 0.00 39.64 36.49 1mz4 n ILE 45 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1mz4 s THR 46 N -3.27 -0.08 0.57 7.28 2.01 -1.26 -4.06 115.64 116.82 1mz4 s THR 46 Ca 0.65 -0.72 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 1mz4 s THR 46 Cb -0.03 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1mz4 s THR 46 CO 0.45 -0.70 1.33 -0.54 -0.69 0.00 0.00 174.62 174.47 1mz4 s LYS 47 N 2.11 3.01 0.00 4.92 1.02 -0.50 -2.28 119.74 128.02 1mz4 s LYS 47 Ca 0.09 2.16 0.00 0.00 0.02 0.00 0.00 55.97 58.24 1mz4 s LYS 47 Cb -0.16 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1mz4 s LYS 47 CO -0.36 -1.27 0.00 0.25 -0.92 0.00 0.00 175.35 173.06 1mz4 n THR 48 N -1.24 0.00 -2.78 2.17 -2.24 -1.26 -4.74 114.28 104.18 1mz4 n THR 48 Ca 0.12 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.80 1mz4 n THR 48 Cb 0.46 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.74 1mz4 n THR 48 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1mz4 n ASN 49 N 0.00 -2.52 -0.35 3.42 2.85 -0.97 -5.04 115.26 112.66 1mz4 n ASN 49 Ca 0.00 -3.35 0.25 0.00 -0.11 0.00 0.00 54.58 51.37 1mz4 n ASN 49 Cb 0.00 1.65 0.50 0.00 1.24 0.00 0.00 39.78 43.17 1mz4 n ASN 49 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1mz4 h PRO 50 N 3.76 0.30 0.00 1.20 0.11 -1.76 -1.45 132.00 134.17 1mz4 h PRO 50 Ca -0.12 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 1mz4 h PRO 50 Cb 1.03 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1mz4 h PRO 50 CO 0.30 0.20 -0.13 0.66 -0.21 0.00 0.00 178.00 178.81 1mz4 h SER 51 N 0.31 0.00 -2.08 -2.05 4.64 -1.96 -3.20 113.55 109.21 1mz4 h SER 51 Ca 0.73 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 61.27 1mz4 h SER 51 Cb 1.76 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.58 1mz4 h SER 51 CO -0.54 0.13 1.06 0.18 -0.87 0.00 0.00 176.83 176.79 1mz4 n LEU 52 N -3.39 7.48 0.00 5.97 4.77 -0.54 -5.00 117.00 126.29 1mz4 n LEU 52 Ca -0.01 -5.01 -0.09 0.00 -0.03 0.00 0.00 56.01 50.88 1mz4 n LEU 52 Cb 0.32 -1.10 0.07 0.00 -2.33 0.00 0.00 43.42 40.38 1mz4 n LEU 52 CO 0.30 1.85 0.23 -0.90 -1.33 0.00 0.00 177.39 177.54 1mz4 n ASP 53 N -0.39 -0.56 -1.85 -1.43 5.68 -1.21 -4.71 116.55 112.08 1mz4 n ASP 53 Ca 0.52 -0.95 0.04 0.00 -0.50 0.00 0.00 54.79 53.90 1mz4 n ASP 53 Cb 0.24 -0.31 0.38 0.00 -1.14 0.00 0.00 41.12 40.29 1mz4 n ASP 53 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1mz4 n LEU 54 N 0.00 5.71 -4.77 -2.12 4.77 -0.36 -4.63 117.00 115.60 1mz4 n LEU 54 Ca 0.05 -3.01 -0.38 0.00 -0.03 0.00 0.00 56.01 52.64 1mz4 n LEU 54 Cb 0.18 -0.69 -0.01 0.00 -2.33 0.00 0.00 43.42 40.57 1mz4 n LEU 54 CO 0.13 0.67 0.88 -0.13 -1.33 0.00 0.00 177.39 177.61 1mz4 s ARG 55 N -2.83 3.89 0.26 3.23 0.52 -1.26 -4.86 118.95 117.89 1mz4 s ARG 55 Ca 0.54 1.94 -0.02 0.00 -0.52 0.00 0.00 55.73 57.66 1mz4 s ARG 55 Cb 0.42 -2.60 0.43 0.00 0.52 0.00 0.00 34.95 33.72 1mz4 s ARG 55 CO 0.15 -0.49 1.84 1.15 0.02 0.00 0.00 175.30 177.97 1mz4 h THR 56 N 2.18 0.97 -0.65 0.02 2.02 -1.93 -1.45 112.91 114.07 1mz4 h THR 56 Ca -0.49 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.30 1mz4 h THR 56 Cb 1.25 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1mz4 h THR 56 CO 0.62 0.17 0.17 -0.08 0.37 0.00 0.00 175.52 176.77 1mz4 h GLU 57 N 0.95 1.04 -0.72 6.66 4.57 -1.99 -0.43 114.58 124.66 1mz4 h GLU 57 Ca 0.43 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1mz4 h GLU 57 Cb 0.33 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1mz4 h GLU 57 CO -0.23 0.93 0.37 1.15 -1.18 0.00 0.00 179.01 180.05 1mz4 h THR 58 N 0.96 1.23 -0.28 0.32 2.02 -1.69 -2.31 112.91 113.16 1mz4 h THR 58 Ca 0.21 -0.61 -0.10 0.00 0.77 0.00 0.00 66.41 66.68 1mz4 h THR 58 Cb 0.35 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1mz4 h THR 58 CO 0.00 0.26 -0.23 -0.07 0.37 0.00 0.00 175.52 175.85 1mz4 h LEU 59 N 1.00 0.53 -1.33 2.58 3.38 -0.96 -2.81 115.31 117.70 1mz4 h LEU 59 Ca 0.25 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1mz4 h LEU 59 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1mz4 h LEU 59 CO -0.04 0.76 -0.33 0.00 0.09 0.00 0.00 178.44 178.92 1mz4 h ALA 60 N 1.29 1.34 -0.01 1.53 0.00 -0.60 -1.04 119.26 121.76 1mz4 h ALA 60 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1mz4 h ALA 60 Cb 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1mz4 h ALA 60 CO 0.05 0.41 -0.07 1.28 0.00 0.00 0.00 179.25 180.92 1mz4 n LEU 61 N -3.99 1.49 -4.83 0.00 4.77 -0.91 -4.74 117.00 108.80 1mz4 n LEU 61 Ca -0.02 -0.48 -0.30 0.00 -0.03 0.00 0.00 56.01 55.19 1mz4 n LEU 61 Cb 0.39 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.54 1mz4 n LEU 61 CO 0.37 0.26 0.73 0.00 -1.33 0.00 0.00 177.39 177.42 1mz4 s ALA 62 N -2.14 2.33 -0.11 -1.18 0.00 -1.02 -5.01 121.76 114.63 1mz4 s ALA 62 Ca 0.33 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.91 1mz4 s ALA 62 Cb 0.20 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 20.30 1mz4 s ALA 62 CO 0.38 -1.73 -0.07 0.99 0.00 0.00 0.00 175.76 175.33 1mz4 s THR 63 N -3.29 0.97 0.97 0.00 2.01 0.13 -3.10 115.64 113.33 1mz4 s THR 63 Ca 0.61 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 1mz4 s THR 63 Cb -0.13 -1.00 0.17 0.00 0.01 0.00 0.00 72.50 71.55 1mz4 s THR 63 CO 0.53 0.36 1.14 -2.16 -0.69 0.00 0.00 174.62 173.79 1mz4 s PRO 64 N 1.72 0.64 0.23 4.92 0.04 -1.26 -1.19 135.00 140.10 1mz4 s PRO 64 Ca 0.05 0.23 -0.32 0.00 0.04 0.00 0.00 61.00 61.00 1mz4 s PRO 64 Cb -0.13 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.49 1mz4 s PRO 64 CO -0.08 -2.52 1.43 -2.30 0.04 0.00 0.00 177.00 173.57 1mz4 n PRO 65 N -3.98 2.05 -0.16 0.56 -0.02 -1.18 -4.89 135.00 127.38 1mz4 n PRO 65 Ca 0.08 0.73 0.07 0.00 -2.02 0.00 0.00 63.50 62.36 1mz4 n PRO 65 Cb 0.59 -2.41 0.14 0.00 -0.02 0.00 0.00 33.50 31.80 1mz4 n PRO 65 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1mz4 n ARG 66 N 2.24 2.29 -1.02 -0.52 5.12 -0.42 -4.58 116.66 119.75 1mz4 n ARG 66 Ca 0.12 -2.33 -0.22 0.00 -1.93 0.00 0.00 57.85 53.50 1mz4 n ARG 66 Cb 0.31 -1.44 0.11 0.00 -1.16 0.00 0.00 32.46 30.28 1mz4 n ARG 66 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1mz4 n ASP 67 N -0.74 5.02 -3.76 0.55 5.75 -1.23 -4.39 116.55 117.75 1mz4 n ASP 67 Ca 0.13 -3.33 -0.10 0.00 -0.01 0.00 0.00 54.79 51.48 1mz4 n ASP 67 Cb 0.59 -0.86 -0.07 0.00 -1.03 0.00 0.00 41.12 39.75 1mz4 n ASP 67 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mz4 s ASN 68 N -0.84 -0.07 0.14 -1.12 2.20 -1.26 -4.64 114.94 109.35 1mz4 s ASN 68 Ca 0.46 -0.38 -0.24 0.00 -0.94 0.00 0.00 52.86 51.76 1mz4 s ASN 68 Cb 0.38 0.38 -0.00 0.00 -2.00 0.00 0.00 41.25 40.01 1mz4 s ASN 68 CO 0.05 -0.72 1.63 0.40 -2.94 0.00 0.00 177.10 175.52 1mz4 h ILE 69 N 2.83 0.38 -0.89 0.54 1.08 -1.11 -1.63 117.51 118.72 1mz4 h ILE 69 Ca -0.33 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.16 1mz4 h ILE 69 Cb 1.21 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 1mz4 h ILE 69 CO 0.50 0.00 0.59 -0.33 -0.69 0.00 0.00 178.15 178.21 1mz4 h GLU 70 N -0.31 1.12 -0.51 2.37 5.08 -1.21 0.37 114.58 121.49 1mz4 h GLU 70 Ca 0.11 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1mz4 h GLU 70 Cb 0.48 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1mz4 h GLU 70 CO -0.33 0.74 -0.03 0.78 -1.00 0.00 0.00 179.01 179.17 1mz4 h GLY 71 N 1.16 0.96 1.07 -3.84 0.00 -1.69 0.05 103.07 100.78 1mz4 h GLY 71 Ca 0.34 -0.69 -0.20 0.00 0.00 0.00 0.00 47.33 46.78 1mz4 h GLY 71 CO -0.09 0.63 -0.70 1.41 0.00 0.00 0.00 176.54 177.80 1mz4 h LEU 72 N 0.82 0.84 -0.83 3.11 3.38 -0.76 -1.66 115.31 120.20 1mz4 h LEU 72 Ca 0.15 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 1mz4 h LEU 72 Cb 0.53 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1mz4 h LEU 72 CO 0.03 1.34 0.41 0.58 0.09 0.00 0.00 178.44 180.89 1mz4 h VAL 73 N 0.39 1.25 -0.74 1.22 2.07 -0.83 -1.22 116.25 118.40 1mz4 h VAL 73 Ca -0.05 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1mz4 h VAL 73 Cb 1.34 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1mz4 h VAL 73 CO 0.14 0.30 0.32 0.44 0.02 0.00 0.00 177.57 178.79 1mz4 h ASP 74 N 1.17 0.99 -0.44 0.57 3.45 -0.92 -2.35 116.42 118.90 1mz4 h ASP 74 Ca 0.29 -0.13 -0.07 0.00 0.43 0.00 0.00 57.03 57.55 1mz4 h ASP 74 Cb 0.10 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.59 1mz4 h ASP 74 CO -0.04 0.86 0.04 0.22 -1.57 0.00 0.00 179.24 178.76 1mz4 h TYR 75 N 1.06 0.86 0.00 4.55 5.03 -0.52 0.31 116.97 128.26 1mz4 h TYR 75 Ca 0.25 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1mz4 h TYR 75 Cb 0.17 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.21 1mz4 h TYR 75 CO 0.02 0.77 0.00 0.52 -1.32 0.00 0.00 178.16 178.14 1mz4 h MET 76 N 0.77 0.00 0.05 1.82 2.86 -0.75 -1.36 114.93 118.32 1mz4 h MET 76 Ca 0.16 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.42 1mz4 h MET 76 Cb 0.40 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 1mz4 h MET 76 CO 0.01 0.00 -2.27 1.63 1.06 0.00 0.00 176.91 177.34 1mz4 n LYS 77 N -2.84 0.70 -3.17 1.72 5.02 -0.77 -1.28 118.16 117.54 1mz4 n LYS 77 Ca 0.01 0.20 -0.20 0.00 -2.02 0.00 0.00 58.31 56.30 1mz4 n LYS 77 Cb 0.31 -1.60 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1mz4 n LYS 77 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1mz4 n ASN 78 N -3.36 -1.14 -4.76 4.39 5.15 0.10 -3.04 115.26 112.61 1mz4 n ASN 78 Ca -0.40 -2.63 -0.39 0.00 -0.60 0.00 0.00 54.58 50.56 1mz4 n ASN 78 Cb 1.01 0.09 0.02 0.00 -0.53 0.00 0.00 39.78 40.37 1mz4 n ASN 78 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1mz4 s PRO 79 N 0.00 3.55 0.25 1.20 0.04 -0.52 -4.54 135.00 134.99 1mz4 s PRO 79 Ca 0.33 2.28 0.03 0.00 0.04 0.00 0.00 61.00 63.68 1mz4 s PRO 79 Cb 0.08 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 1mz4 s PRO 79 CO -0.16 -0.88 0.04 0.95 0.04 0.00 0.00 177.00 176.99 1mz4 s THR 80 N -1.26 0.91 1.00 1.26 -4.23 -1.26 -0.62 115.64 111.43 1mz4 s THR 80 Ca 0.64 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 1mz4 s THR 80 Cb -0.41 -2.51 0.19 0.00 1.34 0.00 0.00 72.50 71.11 1mz4 s THR 80 CO 0.51 -0.17 1.08 0.42 -0.54 0.00 0.00 174.62 175.92 1mz4 s THR 81 N -3.51 2.22 0.44 3.99 -4.23 0.31 -4.81 115.64 110.07 1mz4 s THR 81 Ca 0.33 0.07 0.15 0.00 -1.18 0.00 0.00 61.69 61.06 1mz4 s THR 81 Cb 0.07 -2.48 0.33 0.00 1.34 0.00 0.00 72.50 71.76 1mz4 s THR 81 CO 0.11 -0.10 1.98 0.22 -0.54 0.00 0.00 174.62 176.29 1mz4 h TYR 82 N -1.92 0.40 -0.15 3.99 3.20 -1.91 0.18 116.97 120.75 1mz4 h TYR 82 Ca -0.54 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.34 1mz4 h TYR 82 Cb 1.32 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1mz4 h TYR 82 CO 0.33 0.19 0.00 -0.40 -1.64 0.00 0.00 178.16 176.64 1mz4 n ASP 83 N -4.47 1.43 0.00 -2.11 5.68 -1.26 -0.69 116.55 115.13 1mz4 n ASP 83 Ca 0.10 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 1mz4 n ASP 83 Cb 0.40 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1mz4 n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mz4 n GLY 84 N 1.07 0.12 0.13 6.12 0.00 0.61 -4.75 105.19 108.50 1mz4 n GLY 84 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1mz4 n GLY 84 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1mz4 h GLU 85 N 0.27 0.32 -6.24 1.61 4.39 -1.84 -3.46 114.58 109.63 1mz4 h GLU 85 Ca 0.00 -0.41 -0.61 0.00 0.34 0.00 0.00 59.36 58.67 1mz4 h GLU 85 Cb 0.69 0.14 -0.26 0.00 -0.10 0.00 0.00 28.75 29.21 1mz4 h GLU 85 CO 0.00 1.13 -0.85 -0.65 -1.16 0.00 0.00 179.01 177.48 1mz4 s GLN 86 N -3.00 1.53 0.18 2.33 1.11 -1.26 -5.00 119.66 115.55 1mz4 s GLN 86 Ca -0.05 -0.96 -0.21 0.00 0.01 0.00 0.00 55.36 54.16 1mz4 s GLN 86 Cb 0.08 -1.64 -0.08 0.00 -1.01 0.00 0.00 33.01 30.37 1mz4 s GLN 86 CO 0.87 0.42 0.70 -1.21 0.01 0.00 0.00 175.29 176.09 1mz4 s GLU 87 N -1.10 4.31 -0.33 2.91 2.02 -1.26 -0.53 118.70 124.73 1mz4 s GLU 87 Ca 0.09 0.90 0.15 0.00 0.02 0.00 0.00 54.97 56.13 1mz4 s GLU 87 Cb -0.09 -3.04 0.46 0.00 0.10 0.00 0.00 34.13 31.56 1mz4 s GLU 87 CO 0.01 0.48 1.06 0.44 0.02 0.00 0.00 175.26 177.28 1mz4 n ILE 88 N 1.11 1.61 0.26 -1.63 -5.35 0.21 -4.87 119.36 110.70 1mz4 n ILE 88 Ca -0.05 -3.62 0.13 0.00 -0.27 0.00 0.00 62.75 58.94 1mz4 n ILE 88 Cb 0.50 0.12 0.69 0.00 -1.74 0.00 0.00 39.64 39.21 1mz4 n ILE 88 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mz4 h ALA 89 N 2.68 1.20 -0.03 -1.28 0.00 -1.77 0.82 119.26 120.88 1mz4 h ALA 89 Ca 0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1mz4 h ALA 89 Cb 1.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1mz4 h ALA 89 CO 0.54 0.16 -0.41 1.49 0.00 0.00 0.00 179.25 181.03 1mz4 h GLU 90 N 0.00 0.07 0.00 0.00 4.22 -1.96 -3.23 114.58 113.68 1mz4 h GLU 90 Ca -0.00 -0.03 -0.37 0.00 0.08 0.00 0.00 59.36 59.03 1mz4 h GLU 90 Cb 0.41 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 1mz4 h GLU 90 CO 0.02 0.47 -2.38 0.28 -2.18 0.00 0.00 179.01 175.21 1mz4 n VAL 91 N -4.04 1.46 -3.83 0.32 0.31 -1.03 -4.93 118.33 106.59 1mz4 n VAL 91 Ca -0.02 -0.73 -0.36 0.00 -0.01 0.00 0.00 64.34 63.23 1mz4 n VAL 91 Cb 0.45 -0.94 -0.11 0.00 -0.91 0.00 0.00 33.84 32.33 1mz4 n VAL 91 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1mz4 s HIS 92 N -2.51 3.17 0.16 3.52 2.46 0.25 -5.06 115.29 117.28 1mz4 s HIS 92 Ca -0.21 -0.13 -0.33 0.00 0.47 0.00 0.00 55.06 54.86 1mz4 s HIS 92 Cb 0.07 -2.20 -0.16 0.00 -0.13 0.00 0.00 32.58 30.17 1mz4 s HIS 92 CO 0.73 -0.12 1.23 -2.30 -2.47 0.00 0.00 174.74 171.81 1mz4 n PRO 93 N 4.41 1.25 -3.79 2.88 -0.02 -1.26 -4.42 135.00 134.06 1mz4 n PRO 93 Ca -0.16 0.45 -0.05 0.00 -2.02 0.00 0.00 63.50 61.72 1mz4 n PRO 93 Cb 0.52 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1mz4 n PRO 93 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1mz4 s SER 94 N 0.14 -0.22 0.33 2.55 1.04 -1.26 -4.87 113.70 111.41 1mz4 s SER 94 Ca 0.75 -0.47 0.07 0.00 0.48 0.00 0.00 55.95 56.78 1mz4 s SER 94 Cb -0.85 0.59 0.60 0.00 0.10 0.00 0.00 66.02 66.45 1mz4 s SER 94 CO 0.50 -1.08 1.81 -0.07 0.98 0.00 0.00 173.24 175.39 1mz4 h LEU 95 N 2.00 0.31 -0.84 2.42 4.07 -1.32 -1.66 115.31 120.29 1mz4 h LEU 95 Ca -0.22 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1mz4 h LEU 95 Cb 1.24 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1mz4 h LEU 95 CO 0.25 0.54 0.00 0.03 -1.08 0.00 0.00 178.44 178.18 1mz4 h ARG 96 N 0.29 0.00 0.00 1.13 3.08 -1.80 -2.82 114.38 114.27 1mz4 h ARG 96 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1mz4 h ARG 96 Cb 0.55 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 1mz4 h ARG 96 CO 0.04 0.00 -0.55 -1.13 -1.07 0.00 0.00 179.97 177.25 1mz4 n SER 97 N -2.52 1.63 0.31 7.04 3.41 -0.79 -4.78 113.62 117.93 1mz4 n SER 97 Ca 0.02 -3.65 0.20 0.00 -0.26 0.00 0.00 58.87 55.19 1mz4 n SER 97 Cb 0.28 -0.50 1.02 0.00 -0.26 0.00 0.00 64.21 64.75 1mz4 n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mz4 h ALA 98 N 0.97 1.00 -0.47 7.33 0.00 -1.06 -1.52 119.26 125.51 1mz4 h ALA 98 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1mz4 h ALA 98 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1mz4 h ALA 98 CO 0.01 0.00 -0.21 0.38 0.00 0.00 0.00 179.25 179.44 1mz4 h ASP 99 N 0.00 1.00 0.22 0.00 2.03 -1.86 -3.06 116.42 114.75 1mz4 h ASP 99 Ca 0.00 -0.39 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1mz4 h ASP 99 Cb 0.16 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.39 1mz4 h ASP 99 CO 0.00 1.17 -0.72 2.30 -1.03 0.00 0.00 179.24 180.96 1mz4 n ILE 100 N -4.14 0.00 -3.56 4.15 -5.35 -0.92 -4.42 119.36 105.11 1mz4 n ILE 100 Ca -0.00 -0.02 -0.27 0.00 -0.27 0.00 0.00 62.75 62.19 1mz4 n ILE 100 Cb 0.45 0.66 -0.10 0.00 -1.74 0.00 0.00 39.64 38.92 1mz4 n ILE 100 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1mz4 n PHE 101 N -1.38 1.97 -0.37 4.28 3.72 -0.62 -5.00 117.46 120.07 1mz4 n PHE 101 Ca 0.05 -3.95 0.29 0.00 -0.05 0.00 0.00 57.45 53.79 1mz4 n PHE 101 Cb 0.34 -0.38 0.55 0.00 -0.94 0.00 0.00 39.48 39.04 1mz4 n PHE 101 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1mz4 h PRO 102 N 4.91 0.21 0.00 -1.08 0.11 -1.75 -1.06 132.00 133.35 1mz4 h PRO 102 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1mz4 h PRO 102 Cb 0.78 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1mz4 h PRO 102 CO 0.64 0.14 0.00 0.87 -0.21 0.00 0.00 178.00 179.44 1mz4 h LYS 103 N 0.22 0.00 0.00 1.05 1.57 -1.94 -1.09 116.57 116.37 1mz4 h LYS 103 Ca 0.76 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.54 1mz4 h LYS 103 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.31 1mz4 h LYS 103 CO -0.53 0.00 -0.33 -1.33 -0.57 0.00 0.00 179.45 176.69 1mz4 n MET 104 N -2.61 0.10 0.17 3.15 2.81 -0.40 -3.90 117.12 116.43 1mz4 n MET 104 Ca -0.02 0.05 0.01 0.00 -1.81 0.00 0.00 57.70 55.93 1mz4 n MET 104 Cb 0.08 -1.58 0.30 0.00 -0.71 0.00 0.00 33.22 31.31 1mz4 n MET 104 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mz4 h ARG 105 N 0.00 0.01 -0.63 0.03 3.08 -1.35 -3.15 114.38 112.37 1mz4 h ARG 105 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mz4 h ARG 105 Cb 0.58 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1mz4 h ARG 105 CO 0.00 0.45 0.00 0.09 -1.07 0.00 0.00 179.97 179.44 1mz4 n ASN 106 N -4.01 3.82 -4.63 7.04 5.03 -1.25 -4.92 115.26 116.33 1mz4 n ASN 106 Ca -0.02 -2.37 -0.39 0.00 0.87 0.00 0.00 54.58 52.67 1mz4 n ASN 106 Cb 0.47 -0.52 -0.08 0.00 -1.02 0.00 0.00 39.78 38.63 1mz4 n ASN 106 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1mz4 s LEU 107 N -1.57 4.09 0.66 3.41 1.43 -1.19 -5.06 118.68 120.44 1mz4 s LEU 107 Ca 0.39 0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 53.82 1mz4 s LEU 107 Cb 0.26 -2.44 0.07 0.00 0.03 0.00 0.00 46.19 44.10 1mz4 s LEU 107 CO 0.18 -0.13 0.94 0.42 0.23 0.00 0.00 176.35 177.99 1mz4 s THR 108 N 1.74 2.38 0.21 5.49 -4.23 -1.26 -4.90 115.64 115.06 1mz4 s THR 108 Ca 0.16 -0.44 -0.10 0.00 -1.18 0.00 0.00 61.69 60.13 1mz4 s THR 108 Cb -0.15 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 70.90 1mz4 s THR 108 CO 0.09 0.00 1.87 -0.08 -0.54 0.00 0.00 174.62 175.96 1mz4 h GLU 109 N -0.40 1.00 -0.83 3.99 4.57 -1.99 -0.76 114.58 120.16 1mz4 h GLU 109 Ca -0.42 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 1mz4 h GLU 109 Cb 1.30 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 1mz4 h GLU 109 CO 0.54 0.68 0.46 0.87 -1.18 0.00 0.00 179.01 180.37 1mz4 h LYS 110 N 1.02 1.14 -0.60 1.92 1.57 -1.99 -1.25 116.57 118.38 1mz4 h LYS 110 Ca 0.27 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1mz4 h LYS 110 Cb -0.09 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 31.97 1mz4 h LYS 110 CO -0.06 0.83 0.22 -0.44 -0.57 0.00 0.00 179.45 179.43 1mz4 h ASP 111 N 1.15 0.84 -0.77 0.86 3.32 -1.66 -1.28 116.42 118.89 1mz4 h ASP 111 Ca 0.29 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1mz4 h ASP 111 Cb 0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1mz4 h ASP 111 CO -0.05 0.80 0.34 -0.07 -1.72 0.00 0.00 179.24 178.54 1mz4 h LEU 112 N 0.84 1.03 -0.63 1.55 3.38 -0.55 -0.64 115.31 120.28 1mz4 h LEU 112 Ca 0.20 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1mz4 h LEU 112 Cb 0.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1mz4 h LEU 112 CO -0.01 0.90 0.19 0.58 0.09 0.00 0.00 178.44 180.19 1mz4 h VAL 113 N 1.10 1.25 -0.65 1.22 2.07 -1.00 -0.89 116.25 119.35 1mz4 h VAL 113 Ca 0.26 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1mz4 h VAL 113 Cb 0.17 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1mz4 h VAL 113 CO -0.03 0.33 0.22 0.00 0.02 0.00 0.00 177.57 178.11 1mz4 h ALA 114 N 1.06 0.84 -0.50 1.67 0.00 -0.80 0.84 119.26 122.39 1mz4 h ALA 114 Ca 0.20 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1mz4 h ALA 114 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1mz4 h ALA 114 CO -0.00 0.50 0.09 0.82 0.00 0.00 0.00 179.25 180.65 1mz4 h ILE 115 N 0.92 1.25 -0.78 0.00 2.04 -0.88 -1.23 117.51 118.84 1mz4 h ILE 115 Ca 0.21 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1mz4 h ILE 115 Cb 0.26 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1mz4 h ILE 115 CO -0.01 0.32 0.44 0.00 0.00 0.00 0.00 178.15 178.91 1mz4 h ALA 116 N 0.97 1.00 -0.82 1.87 0.00 -0.87 -1.99 119.26 119.43 1mz4 h ALA 116 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1mz4 h ALA 116 Cb 0.38 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1mz4 h ALA 116 CO 0.01 0.49 0.52 0.78 0.00 0.00 0.00 179.25 181.05 1mz4 h GLY 117 N 1.08 1.16 1.00 0.00 0.00 -0.44 -2.37 103.07 103.50 1mz4 h GLY 117 Ca 0.28 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1mz4 h GLY 117 CO -0.05 0.45 0.33 0.84 0.00 0.00 0.00 176.54 178.11 1mz4 h HIS 118 N 1.12 0.69 -0.66 5.60 6.17 -0.49 0.11 115.15 127.68 1mz4 h HIS 118 Ca 0.30 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.34 1mz4 h HIS 118 Cb -0.09 -0.23 -0.03 0.00 2.52 0.00 0.00 27.41 29.58 1mz4 h HIS 118 CO 0.00 0.46 0.26 0.82 0.71 0.00 0.00 177.93 180.19 1mz4 h ILE 119 N 0.72 1.23 0.00 6.26 2.04 -1.06 -1.59 117.51 125.11 1mz4 h ILE 119 Ca 0.19 -0.74 -0.16 0.00 1.00 0.00 0.00 64.86 65.16 1mz4 h ILE 119 Cb -0.03 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1mz4 h ILE 119 CO -0.04 0.29 -0.97 -0.07 0.00 0.00 0.00 178.15 177.36 1mz4 h LEU 120 N 0.96 0.00 0.13 1.44 3.38 -1.18 -3.38 115.31 116.66 1mz4 h LEU 120 Ca 0.22 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.96 1mz4 h LEU 120 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1mz4 h LEU 120 CO -0.02 0.66 -1.14 0.58 0.09 0.00 0.00 178.44 178.61 1mz4 h VAL 121 N 0.00 1.25 -0.73 1.22 2.07 -0.84 -3.40 116.25 115.82 1mz4 h VAL 121 Ca -0.08 -2.47 0.17 0.00 0.82 0.00 0.00 66.70 65.14 1mz4 h VAL 121 Cb 1.57 2.94 -0.12 0.00 -1.52 0.00 0.00 31.29 34.15 1mz4 h VAL 121 CO 0.07 0.71 0.09 -0.33 0.02 0.00 0.00 177.57 178.13 1mz4 h GLU 122 N -0.34 0.17 0.00 1.57 4.39 -1.47 0.65 114.58 119.55 1mz4 h GLU 122 Ca -0.23 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 1mz4 h GLU 122 Cb 1.71 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1mz4 h GLU 122 CO 0.10 0.12 -0.02 -1.00 -1.16 0.00 0.00 179.01 177.05 1mz4 h PRO 123 N 0.18 0.00 0.00 2.33 0.13 -1.77 0.37 132.00 133.23 1mz4 h PRO 123 Ca 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.54 1mz4 h PRO 123 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1mz4 h PRO 123 CO -0.58 0.02 0.00 0.87 -0.23 0.00 0.00 178.00 178.08 1mz4 h LYS 124 N 0.00 0.00 0.00 0.86 1.57 -1.08 0.15 116.57 118.07 1mz4 h LYS 124 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1mz4 h LYS 124 Cb 0.04 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 1mz4 h LYS 124 CO 0.00 0.00 -2.29 -0.89 -0.57 0.00 0.00 179.45 175.70 1mz4 n ILE 125 N -2.56 1.30 0.94 1.86 5.41 0.25 -3.17 119.36 123.39 1mz4 n ILE 125 Ca 0.03 -0.47 0.11 0.00 1.00 0.00 0.00 62.75 63.41 1mz4 n ILE 125 Cb 0.36 -1.36 -0.04 0.00 -0.71 0.00 0.00 39.64 37.89 1mz4 n ILE 125 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1mz4 n LEU 126 N -3.28 0.84 0.00 1.39 4.77 0.10 -4.28 117.00 116.54 1mz4 n LEU 126 Ca -0.41 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1mz4 n LEU 126 Cb 0.91 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1mz4 n LEU 126 CO 0.20 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1mz4 n GLY 127 N 1.48 2.83 0.07 -0.72 0.00 0.52 -2.12 105.19 107.26 1mz4 n GLY 127 Ca 0.04 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.74 1mz4 n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mz4 n ASP 128 N 1.86 0.28 0.25 1.61 8.00 -1.26 -1.92 116.55 125.37 1mz4 n ASP 128 Ca 0.00 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.22 1mz4 n ASP 128 Cb 0.00 -0.65 0.66 0.00 -0.02 0.00 0.00 41.12 41.11 1mz4 n ASP 128 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1mz4 h LYS 129 N 0.00 0.00 -5.90 -1.24 1.57 -1.81 -3.39 116.57 105.80 1mz4 h LYS 129 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1mz4 h LYS 129 Cb 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 1mz4 h LYS 129 CO 0.00 0.15 0.58 -0.46 -0.57 0.00 0.00 179.45 179.15 1mz4 s TRP 130 N -4.14 3.33 0.00 -1.35 -0.11 -0.81 -4.89 118.94 110.97 1mz4 s TRP 130 Ca -0.02 1.26 0.00 0.00 1.22 0.00 0.00 56.10 58.56 1mz4 s TRP 130 Cb 0.13 -3.12 0.00 0.00 -1.50 0.00 0.00 33.47 28.98 1mz4 s TRP 130 CO 0.60 -0.42 0.00 0.41 -4.62 0.00 0.00 176.95 172.93