#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mzu s ARG 12 N 0.00 2.84 0.00 6.28 3.03 -1.26 -1.04 118.95 128.80 1mzu s ARG 12 Ca 0.00 1.70 0.00 0.00 2.03 0.00 0.00 55.73 59.46 1mzu s ARG 12 Cb 0.00 -1.93 0.00 0.00 -1.03 0.00 0.00 34.95 31.99 1mzu s ARG 12 CO 0.00 -1.28 0.00 0.41 -1.13 0.00 0.00 175.30 173.30 1mzu n GLY 13 N 0.25 2.06 0.10 3.88 0.00 -1.26 -4.55 105.19 105.67 1mzu n GLY 13 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 1mzu n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mzu n THR 14 N -0.02 1.26 -0.14 2.61 -2.24 -1.17 -4.61 114.28 109.97 1mzu n THR 14 Ca 0.00 -0.68 0.01 0.00 -2.27 0.00 0.00 64.05 61.11 1mzu n THR 14 Cb 0.00 -0.77 0.29 0.00 -2.10 0.00 0.00 70.33 67.75 1mzu n THR 14 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1mzu h ILE 15 N 0.00 1.17 0.00 2.28 2.10 -1.33 -2.20 117.51 119.53 1mzu h ILE 15 Ca -0.49 -0.39 -0.02 0.00 1.08 0.00 0.00 64.86 65.04 1mzu h ILE 15 Cb 2.01 0.31 -0.00 0.00 -1.09 0.00 0.00 36.82 38.05 1mzu h ILE 15 CO -0.01 0.18 -0.11 0.44 -1.08 0.00 0.00 178.15 177.58 1mzu h ASP 16 N 0.84 0.00 -0.46 2.19 3.32 -1.84 -2.80 116.42 117.67 1mzu h ASP 16 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1mzu h ASP 16 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1mzu h ASP 16 CO -0.04 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 1mzu n GLY 17 N -0.22 2.91 3.80 2.75 0.00 -0.85 -5.02 105.19 108.57 1mzu n GLY 17 Ca -0.01 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 1mzu n GLY 17 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1mzu s MET 18 N -1.43 4.33 0.77 1.61 -1.94 -1.06 -5.07 119.30 116.50 1mzu s MET 18 Ca 0.36 1.22 -0.12 0.00 -1.71 0.00 0.00 55.69 55.44 1mzu s MET 18 Cb 0.22 -2.41 0.05 0.00 2.01 0.00 0.00 34.83 34.70 1mzu s MET 18 CO 0.19 0.06 1.15 0.20 -0.01 0.00 0.00 175.02 176.61 1mzu s GLY 19 N -1.95 1.61 0.16 -0.03 0.00 -1.26 -4.82 107.32 101.03 1mzu s GLY 19 Ca 0.58 -0.52 -0.16 0.00 0.00 0.00 0.00 44.72 44.62 1mzu s GLY 19 CO 0.18 -0.08 1.74 -0.84 0.00 0.00 0.00 173.10 174.10 1mzu h THR 20 N -0.89 0.86 -0.89 0.90 2.02 -1.98 0.09 112.91 113.03 1mzu h THR 20 Ca -0.46 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1mzu h THR 20 Cb 1.30 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 1mzu h THR 20 CO 0.65 0.05 0.59 0.00 0.37 0.00 0.00 175.52 177.17 1mzu h ALA 21 N 1.26 1.12 -0.11 6.16 0.00 -1.99 0.98 119.26 126.69 1mzu h ALA 21 Ca 0.18 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 1mzu h ALA 21 Cb 0.18 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1mzu h ALA 21 CO -0.20 0.53 -0.71 0.93 0.00 0.00 0.00 179.25 179.80 1mzu h GLU 22 N 1.20 0.50 -0.43 0.00 3.07 -1.91 -2.89 114.58 114.12 1mzu h GLU 22 Ca 0.32 -0.39 -0.06 0.00 -0.50 0.00 0.00 59.36 58.73 1mzu h GLU 22 Cb -0.14 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 1mzu h GLU 22 CO -0.07 1.02 0.04 0.35 -1.40 0.00 0.00 179.01 178.94 1mzu h PHE 23 N 0.34 0.80 0.00 4.33 3.57 -0.20 -2.76 116.94 123.02 1mzu h PHE 23 Ca -0.03 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1mzu h PHE 23 Cb 1.29 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1mzu h PHE 23 CO 0.05 0.78 -0.08 -0.44 -2.23 0.00 0.00 178.31 176.38 1mzu h ASP 24 N 0.59 0.00 -0.19 0.41 3.32 -0.87 -2.93 116.42 116.75 1mzu h ASP 24 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1mzu h ASP 24 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1mzu h ASP 24 CO 0.02 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.62 1mzu n ALA 25 N -2.16 2.50 -1.79 3.45 0.00 -1.05 -3.77 120.51 117.70 1mzu n ALA 25 Ca -0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.41 1mzu n ALA 25 Cb 0.30 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 1mzu n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mzu s LEU 26 N -1.60 4.38 0.00 0.00 1.43 -1.11 -4.90 118.68 116.89 1mzu s LEU 26 Ca 0.34 2.82 0.14 0.00 -1.03 0.00 0.00 54.13 56.39 1mzu s LEU 26 Cb 0.19 -3.65 0.63 0.00 0.03 0.00 0.00 46.19 43.39 1mzu s LEU 26 CO 0.28 -0.69 1.39 -0.81 0.23 0.00 0.00 176.35 176.75 1mzu n PRO 27 N 0.95 0.10 -4.40 1.29 -0.04 -1.26 -4.75 135.00 126.88 1mzu n PRO 27 Ca 0.02 0.21 -0.23 0.00 -0.04 0.00 0.00 63.50 63.46 1mzu n PRO 27 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 1mzu n PRO 27 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mzu s VAL 28 N -2.78 2.14 0.14 0.52 -7.23 -1.26 -4.93 120.40 106.99 1mzu s VAL 28 Ca 0.10 -2.21 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 1mzu s VAL 28 Cb 0.09 -2.12 -0.07 0.00 0.56 0.00 0.00 36.38 34.84 1mzu s VAL 28 CO 0.23 -0.39 1.13 -0.83 -0.31 0.00 0.00 175.10 174.92 1mzu s GLY 29 N -3.17 2.72 -0.09 2.32 0.00 0.79 -4.68 107.32 105.20 1mzu s GLY 29 Ca 0.24 0.83 -0.00 0.00 0.00 0.00 0.00 44.72 45.78 1mzu s GLY 29 CO 0.10 1.78 -0.06 0.00 0.00 0.00 0.00 173.10 174.93 1mzu s ALA 30 N 0.17 1.06 -0.12 3.20 0.00 -1.26 -0.70 121.76 124.12 1mzu s ALA 30 Ca 0.52 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1mzu s ALA 30 Cb -0.29 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1mzu s ALA 30 CO 0.33 -0.32 -0.16 0.42 0.00 0.00 0.00 175.76 176.04 1mzu s ILE 31 N 1.56 1.58 -0.21 0.00 1.01 -0.69 -2.30 121.20 122.16 1mzu s ILE 31 Ca 0.01 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1mzu s ILE 31 Cb -0.13 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1mzu s ILE 31 CO -0.05 0.46 0.08 -1.58 0.00 0.00 0.00 174.94 173.84 1mzu s GLN 32 N 1.02 3.88 0.28 2.79 0.74 0.38 -1.29 119.66 127.46 1mzu s GLN 32 Ca -0.05 -0.38 0.07 0.00 0.05 0.00 0.00 55.36 55.04 1mzu s GLN 32 Cb -0.15 -3.29 -0.06 0.00 1.10 0.00 0.00 33.01 30.62 1mzu s GLN 32 CO -0.03 0.10 -0.06 0.14 -0.55 0.00 0.00 175.29 174.89 1mzu s VAL 33 N 0.86 1.69 0.00 1.34 -7.23 -0.07 -0.58 120.40 116.42 1mzu s VAL 33 Ca 0.04 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1mzu s VAL 33 Cb -0.14 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1mzu s VAL 33 CO 0.03 -0.30 0.00 -0.90 -0.31 0.00 0.00 175.10 173.62 1mzu n ASP 34 N -0.59 0.00 0.30 4.85 3.85 -0.71 -0.15 116.55 124.09 1mzu n ASP 34 Ca -0.05 -1.00 0.18 0.00 -0.71 0.00 0.00 54.79 53.20 1mzu n ASP 34 Cb 0.63 0.00 0.93 0.00 -1.35 0.00 0.00 41.12 41.34 1mzu n ASP 34 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1mzu h GLY 35 N 0.00 0.00 -0.91 6.12 0.00 -1.91 -2.11 103.07 104.25 1mzu h GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mzu h GLY 35 CO 0.00 0.00 -0.18 -1.14 0.00 0.00 0.00 176.54 175.22 1mzu n SER 36 N -3.37 2.00 0.00 0.19 3.41 -1.26 -4.96 113.62 109.63 1mzu n SER 36 Ca -0.02 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1mzu n SER 36 Cb 0.16 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1mzu n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mzu n GLY 37 N 1.33 0.73 3.74 5.00 0.00 -0.79 -4.94 105.19 110.25 1mzu n GLY 37 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1mzu n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mzu s VAL 38 N -2.52 3.92 -0.04 1.61 1.01 -1.26 -1.44 120.40 121.68 1mzu s VAL 38 Ca 0.00 1.65 -0.30 0.00 0.00 0.00 0.00 61.98 63.33 1mzu s VAL 38 Cb 0.00 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1mzu s VAL 38 CO 0.00 0.28 1.14 -0.63 0.00 0.00 0.00 175.10 175.89 1mzu s ILE 39 N -0.21 4.38 -0.13 2.22 1.01 -0.56 -1.75 121.20 126.16 1mzu s ILE 39 Ca 0.49 1.70 0.05 0.00 0.00 0.00 0.00 60.65 62.89 1mzu s ILE 39 Cb -0.29 -4.09 -0.12 0.00 0.01 0.00 0.00 42.46 37.97 1mzu s ILE 39 CO 0.34 0.04 -0.06 1.41 0.00 0.00 0.00 174.94 176.67 1mzu n HIS 40 N 4.82 0.00 -4.04 3.97 8.25 0.26 -1.73 115.22 126.74 1mzu n HIS 40 Ca 0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.42 1mzu n HIS 40 Cb 0.47 -0.57 -0.14 0.00 1.12 0.00 0.00 29.99 30.87 1mzu n HIS 40 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1mzu s ARG 41 N -2.29 0.29 -0.21 -0.41 0.52 -1.09 -4.96 118.95 110.81 1mzu s ARG 41 Ca -0.14 -0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 54.79 1mzu s ARG 41 Cb 0.04 -0.23 0.10 0.00 0.52 0.00 0.00 34.95 35.39 1mzu s ARG 41 CO 0.40 0.06 0.40 -0.47 0.02 0.00 0.00 175.30 175.71 1mzu s TYR 42 N -0.33 -0.80 0.64 -0.53 6.14 -1.26 -0.47 117.35 120.73 1mzu s TYR 42 Ca -0.01 1.30 -0.07 0.00 0.64 0.00 0.00 57.07 58.93 1mzu s TYR 42 Cb -0.03 0.21 0.03 0.00 0.42 0.00 0.00 41.96 42.59 1mzu s TYR 42 CO -0.00 -0.55 0.96 0.54 0.64 0.00 0.00 175.55 177.14 1mzu s ASN 43 N 2.59 5.33 0.29 4.32 4.22 -0.97 -4.83 114.94 125.90 1mzu s ASN 43 Ca 0.03 0.68 0.02 0.00 -2.14 0.00 0.00 52.86 51.45 1mzu s ASN 43 Cb -0.13 -1.55 0.46 0.00 1.28 0.00 0.00 41.25 41.31 1mzu s ASN 43 CO -0.14 -1.26 1.77 -0.09 -2.04 0.00 0.00 177.10 175.35 1mzu h ARG 44 N -0.36 0.55 -0.68 3.55 2.43 -1.85 -2.70 114.38 115.31 1mzu h ARG 44 Ca -0.45 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 58.56 1mzu h ARG 44 Cb 1.27 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 1mzu h ARG 44 CO 0.61 0.67 0.45 1.15 -1.51 0.00 0.00 179.97 181.34 1mzu h THR 45 N 0.50 1.17 -0.07 0.20 2.02 -1.86 0.34 112.91 115.21 1mzu h THR 45 Ca 0.09 -0.31 -0.20 0.00 0.77 0.00 0.00 66.41 66.76 1mzu h THR 45 Cb 0.53 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1mzu h THR 45 CO 0.03 0.17 -0.78 -0.08 0.37 0.00 0.00 175.52 175.23 1mzu h GLU 46 N 0.92 0.47 0.00 6.66 4.57 -1.80 -3.19 114.58 122.21 1mzu h GLU 46 Ca 0.25 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1mzu h GLU 46 Cb -0.09 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1mzu h GLU 46 CO -0.06 1.04 -0.11 0.66 -1.18 0.00 0.00 179.01 179.37 1mzu h SER 47 N 0.31 0.00 1.02 1.04 4.64 -0.96 -0.89 113.55 118.71 1mzu h SER 47 Ca -0.04 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 1mzu h SER 47 Cb 1.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.46 1mzu h SER 47 CO 0.14 0.11 -0.18 0.03 -0.87 0.00 0.00 176.83 176.05 1mzu h ARG 48 N 0.00 0.00 0.08 4.77 2.47 -0.96 -0.61 114.38 120.13 1mzu h ARG 48 Ca -0.00 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.37 1mzu h ARG 48 Cb 0.74 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.03 1mzu h ARG 48 CO 0.01 0.18 -1.99 -0.11 0.56 0.00 0.00 179.97 178.63 1mzu n LEU 49 N -3.31 2.53 0.03 3.04 7.94 -1.00 -4.65 117.00 121.58 1mzu n LEU 49 Ca 0.00 0.19 -0.19 0.00 -1.11 0.00 0.00 56.01 54.90 1mzu n LEU 49 Cb 0.43 -1.05 -0.14 0.00 0.53 0.00 0.00 43.42 43.19 1mzu n LEU 49 CO 0.33 0.76 0.04 0.77 -1.11 0.00 0.00 177.39 178.18 1mzu h SER 50 N -0.18 0.40 0.00 1.96 4.64 -1.13 -3.48 113.55 115.76 1mzu h SER 50 Ca -0.45 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 59.92 1mzu h SER 50 Cb 1.87 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1mzu h SER 50 CO -0.02 1.36 0.00 0.61 -0.87 0.00 0.00 176.83 177.92 1mzu n GLY 51 N 1.66 2.31 3.79 -0.77 0.00 -0.24 -5.06 105.19 106.88 1mzu n GLY 51 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1mzu n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mzu s ARG 52 N -0.85 4.52 -0.00 1.61 3.00 -1.26 -5.04 118.95 120.93 1mzu s ARG 52 Ca 0.00 1.24 -0.26 0.00 0.00 0.00 0.00 55.73 56.72 1mzu s ARG 52 Cb 0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 34.95 32.11 1mzu s ARG 52 CO 0.00 0.29 0.79 0.42 0.00 0.00 0.00 175.30 176.80 1mzu s ILE 53 N -1.62 4.86 0.54 1.52 1.01 -1.26 -4.63 121.20 121.63 1mzu s ILE 53 Ca 0.49 1.66 0.25 0.00 0.00 0.00 0.00 60.65 63.05 1mzu s ILE 53 Cb -0.18 -4.13 0.38 0.00 0.01 0.00 0.00 42.46 38.53 1mzu s ILE 53 CO 0.23 0.28 2.02 -0.65 0.00 0.00 0.00 174.94 176.82 1mzu h PRO 54 N 6.28 0.00 0.00 2.79 0.11 -1.92 -1.66 132.00 137.61 1mzu h PRO 54 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1mzu h PRO 54 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1mzu h PRO 54 CO 0.73 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.61 1mzu n GLU 55 N -4.31 0.27 -0.00 1.05 2.13 -1.26 -3.44 120.64 115.08 1mzu n GLU 55 Ca 0.07 0.05 0.05 0.00 0.66 0.00 0.00 57.16 57.99 1mzu n GLU 55 Cb 0.52 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.65 1mzu n GLU 55 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1mzu n ARG 56 N -1.34 1.50 0.04 5.31 1.74 -0.63 -4.67 116.66 118.61 1mzu n ARG 56 Ca 0.11 -0.06 0.11 0.00 -0.77 0.00 0.00 57.85 57.24 1mzu n ARG 56 Cb 0.23 -1.15 -0.05 0.00 -1.02 0.00 0.00 32.46 30.46 1mzu n ARG 56 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1mzu n VAL 57 N -1.64 0.25 -2.13 1.55 0.24 -1.19 -4.84 118.33 110.57 1mzu n VAL 57 Ca -0.01 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.34 61.46 1mzu n VAL 57 Cb 0.23 -0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.57 1mzu n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1mzu s ILE 58 N -3.35 3.22 0.00 1.34 -1.09 -1.24 -2.11 121.20 117.97 1mzu s ILE 58 Ca -0.01 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 1mzu s ILE 58 Cb 0.13 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1mzu s ILE 58 CO 0.84 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 175.21 1mzu n GLY 59 N 3.57 3.04 3.91 6.18 0.00 -0.71 -5.03 105.19 116.16 1mzu n GLY 59 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1mzu n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mzu s ARG 60 N -0.97 3.61 -0.07 1.61 1.81 -0.90 -4.77 118.95 119.27 1mzu s ARG 60 Ca 0.00 -0.06 -0.30 0.00 -1.72 0.00 0.00 55.73 53.65 1mzu s ARG 60 Cb 0.00 -2.69 -0.02 0.00 -0.45 0.00 0.00 34.95 31.79 1mzu s ARG 60 CO 0.00 0.26 1.05 1.21 -0.68 0.00 0.00 175.30 177.13 1mzu s ASN 61 N -3.13 7.22 0.06 0.23 3.84 -1.26 -1.50 114.94 120.41 1mzu s ASN 61 Ca 0.43 1.62 -0.23 0.00 0.21 0.00 0.00 52.86 54.89 1mzu s ASN 61 Cb -0.11 -2.56 -0.15 0.00 -0.55 0.00 0.00 41.25 37.88 1mzu s ASN 61 CO 0.29 -0.44 1.61 0.15 -2.79 0.00 0.00 177.10 175.92 1mzu h PHE 62 N 7.10 0.04 -0.09 0.43 3.57 -1.60 -1.53 116.94 124.87 1mzu h PHE 62 Ca -0.34 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.01 1mzu h PHE 62 Cb 1.16 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1mzu h PHE 62 CO 0.71 0.17 -0.59 0.74 -2.23 0.00 0.00 178.31 177.11 1mzu h PHE 63 N -0.10 0.37 0.00 0.41 0.04 -1.78 -2.06 116.94 113.81 1mzu h PHE 63 Ca 0.01 -0.14 -0.16 0.00 2.80 0.00 0.00 57.97 60.48 1mzu h PHE 63 Cb 0.15 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 1mzu h PHE 63 CO -0.03 0.80 -1.89 0.25 -0.60 0.00 0.00 178.31 176.85 1mzu n THR 64 N -3.89 0.61 -0.07 -1.55 -2.24 -1.25 -3.84 114.28 102.05 1mzu n THR 64 Ca -0.02 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 1mzu n THR 64 Cb 0.61 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1mzu n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mzu n GLU 65 N -2.35 0.43 0.09 -0.78 1.02 -0.60 -4.52 120.64 113.94 1mzu n GLU 65 Ca -0.16 0.17 0.06 0.00 -0.02 0.00 0.00 57.16 57.22 1mzu n GLU 65 Cb 0.75 -1.25 -0.01 0.00 -0.02 0.00 0.00 31.44 30.92 1mzu n GLU 65 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1mzu h VAL 66 N -0.80 0.27 -2.02 2.62 -1.51 -1.64 -3.41 116.25 109.77 1mzu h VAL 66 Ca -0.06 -1.48 -0.54 0.00 -1.23 0.00 0.00 66.70 63.40 1mzu h VAL 66 Cb 0.87 1.83 -0.40 0.00 -2.13 0.00 0.00 31.29 31.47 1mzu h VAL 66 CO -0.03 0.15 -1.10 0.00 -1.23 0.00 0.00 177.57 175.36 1mzu n ALA 67 N -2.25 2.44 0.29 5.19 0.00 -0.78 -4.98 120.51 120.42 1mzu n ALA 67 Ca -0.03 -3.51 0.16 0.00 0.00 0.00 0.00 53.44 50.06 1mzu n ALA 67 Cb 0.67 -0.85 0.75 0.00 0.00 0.00 0.00 19.45 20.02 1mzu n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1mzu h PRO 68 N 3.64 0.00 0.00 0.00 0.13 -1.76 -2.58 132.00 131.43 1mzu h PRO 68 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1mzu h PRO 68 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1mzu h PRO 68 CO 0.51 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.28 1mzu n THR 70 N -1.40 0.00 -2.20 0.00 -2.24 -0.97 -4.65 114.28 102.83 1mzu n THR 70 Ca 0.07 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1mzu n THR 70 Cb 0.20 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1mzu n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1mzu n ASN 71 N 0.40 5.74 -4.00 3.42 5.15 -0.80 -2.19 115.26 122.98 1mzu n ASN 71 Ca 0.15 -3.09 -0.08 0.00 -0.60 0.00 0.00 54.58 50.96 1mzu n ASN 71 Cb 0.44 -1.47 -0.10 0.00 -0.53 0.00 0.00 39.78 38.12 1mzu n ASN 71 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1mzu s ILE 72 N 0.27 0.15 0.51 -1.44 -4.36 -1.26 -4.95 121.20 110.11 1mzu s ILE 72 Ca 0.44 -1.23 0.28 0.00 -0.26 0.00 0.00 60.65 59.87 1mzu s ILE 72 Cb 0.12 -0.79 0.45 0.00 1.25 0.00 0.00 42.46 43.49 1mzu s ILE 72 CO -0.02 -0.68 1.88 -0.65 0.24 0.00 0.00 174.94 175.71 1mzu h PRO 73 N 3.97 0.09 0.00 0.37 0.11 -1.93 0.49 132.00 135.10 1mzu h PRO 73 Ca -0.33 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 1mzu h PRO 73 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1mzu h PRO 73 CO 0.51 0.06 -0.28 0.00 -0.21 0.00 0.00 178.00 178.08 1mzu h ALA 74 N 1.58 1.10 -1.21 -0.75 0.00 -1.95 -2.74 119.26 115.28 1mzu h ALA 74 Ca 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1mzu h ALA 74 Cb 1.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1mzu h ALA 74 CO -0.05 0.36 0.00 0.34 0.00 0.00 0.00 179.25 179.90 1mzu n PHE 75 N -3.58 0.00 0.21 0.00 -0.00 -0.83 -4.54 117.46 108.72 1mzu n PHE 75 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.50 1mzu n PHE 75 Cb 0.42 0.00 0.50 0.00 -0.00 0.00 0.00 39.48 40.40 1mzu n PHE 75 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1mzu h SER 76 N 0.00 0.03 0.15 -2.13 4.64 -0.42 -2.67 113.55 113.14 1mzu h SER 76 Ca 0.00 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1mzu h SER 76 Cb 0.00 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1mzu h SER 76 CO 0.00 0.19 -0.66 1.23 -0.87 0.00 0.00 176.83 176.72 1mzu h GLY 77 N 0.53 0.52 1.90 -0.77 0.00 -1.40 -2.21 103.07 101.64 1mzu h GLY 77 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.56 1mzu h GLY 77 CO 0.02 0.61 -0.38 -0.09 0.00 0.00 0.00 176.54 176.70 1mzu h ARG 78 N 0.34 0.11 0.02 4.80 9.65 -1.18 -2.69 114.38 125.44 1mzu h ARG 78 Ca -0.02 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1mzu h ARG 78 Cb 1.22 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1mzu h ARG 78 CO 0.12 0.48 -0.01 0.35 2.80 0.00 0.00 179.97 183.70 1mzu h PHE 79 N 0.10 -0.03 -0.90 2.20 3.57 -1.38 -3.26 116.94 117.25 1mzu h PHE 79 Ca 0.01 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.63 1mzu h PHE 79 Cb 0.71 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 1mzu h PHE 79 CO 0.01 0.51 0.52 0.52 -2.23 0.00 0.00 178.31 177.64 1mzu h MET 80 N -0.57 0.80 0.00 1.11 2.86 -1.24 -2.07 114.93 115.82 1mzu h MET 80 Ca -0.00 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1mzu h MET 80 Cb 0.54 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1mzu h MET 80 CO 0.00 0.53 -0.27 -0.44 1.06 0.00 0.00 176.91 177.79 1mzu h ASP 81 N 0.83 0.00 0.81 1.22 3.32 -1.57 -2.70 116.42 118.32 1mzu h ASP 81 Ca 0.45 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.26 1mzu h ASP 81 Cb 0.48 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1mzu h ASP 81 CO -0.28 0.27 -1.22 1.23 -1.72 0.00 0.00 179.24 177.53 1mzu h GLY 82 N 1.69 0.06 1.60 2.75 0.00 -1.42 -3.18 103.07 104.55 1mzu h GLY 82 Ca -0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 47.33 46.94 1mzu h GLY 82 CO 0.04 0.12 -1.08 -0.39 0.00 0.00 0.00 176.54 175.23 1mzu h VAL 83 N 0.01 1.45 0.00 4.60 -1.51 -1.36 -2.04 116.25 117.41 1mzu h VAL 83 Ca -0.10 -2.73 0.00 0.00 -1.23 0.00 0.00 66.70 62.64 1mzu h VAL 83 Cb 1.86 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 33.68 1mzu h VAL 83 CO 0.13 0.81 0.00 0.00 -1.23 0.00 0.00 177.57 177.28 1mzu h THR 84 N 0.15 0.00 0.00 7.19 1.03 -1.61 -3.00 112.91 116.67 1mzu h THR 84 Ca -0.10 -0.55 0.00 0.00 -0.01 0.00 0.00 66.41 65.74 1mzu h THR 84 Cb 1.75 1.50 0.00 0.00 -1.07 0.00 0.00 68.15 70.33 1mzu h THR 84 CO 0.18 0.00 -0.97 -1.54 -0.01 0.00 0.00 175.52 173.18 1mzu n SER 85 N -2.54 0.83 0.00 0.00 3.41 -1.20 -5.00 113.62 109.12 1mzu n SER 85 Ca 0.04 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 1mzu n SER 85 Cb 0.40 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.47 1mzu n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mzu n GLY 86 N 1.42 2.29 2.99 5.00 0.00 -0.85 -5.00 105.19 111.05 1mzu n GLY 86 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1mzu n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mzu s THR 87 N -2.83 1.50 -0.21 2.61 2.01 -0.83 -4.96 115.64 112.93 1mzu s THR 87 Ca 0.00 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 1mzu s THR 87 Cb 0.00 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 71.02 1mzu s THR 87 CO 0.00 0.33 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.96 1mzu s LEU 88 N 1.50 2.74 -0.39 4.42 2.96 -1.25 -4.49 118.68 124.17 1mzu s LEU 88 Ca 0.03 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1mzu s LEU 88 Cb -0.14 -1.67 0.16 0.00 0.50 0.00 0.00 46.19 45.05 1mzu s LEU 88 CO -0.09 -0.03 0.46 -0.62 -1.32 0.00 0.00 176.35 174.75 1mzu s ASP 89 N 1.42 0.23 0.04 3.68 -1.08 -1.25 -3.22 116.67 116.49 1mzu s ASP 89 Ca 0.05 -1.34 0.07 0.00 -0.52 0.00 0.00 52.55 50.81 1mzu s ASP 89 Cb -0.14 1.04 -0.02 0.00 -1.46 0.00 0.00 42.92 42.33 1mzu s ASP 89 CO -0.06 -0.22 -0.19 0.00 0.52 0.00 0.00 175.17 175.21 1mzu s ALA 90 N 1.54 1.63 -0.18 3.66 0.00 -0.73 -5.00 121.76 122.68 1mzu s ALA 90 Ca 0.17 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 1mzu s ALA 90 Cb -0.11 -0.32 0.09 0.00 0.00 0.00 0.00 23.12 22.77 1mzu s ALA 90 CO -0.04 0.36 0.30 0.50 0.00 0.00 0.00 175.76 176.88 1mzu s ARG 91 N -1.09 0.22 0.19 0.00 3.52 -1.26 -0.95 118.95 119.58 1mzu s ARG 91 Ca 0.06 0.63 -0.13 0.00 -0.13 0.00 0.00 55.73 56.16 1mzu s ARG 91 Cb -0.08 -0.32 0.01 0.00 -1.56 0.00 0.00 34.95 33.00 1mzu s ARG 91 CO 0.01 -0.43 0.43 -0.59 -0.81 0.00 0.00 175.30 173.91 1mzu s PHE 92 N 2.45 0.17 -0.35 5.12 -0.71 -0.58 -5.01 117.98 119.07 1mzu s PHE 92 Ca 0.04 -0.53 -0.06 0.00 -1.04 0.00 0.00 56.93 55.34 1mzu s PHE 92 Cb -0.13 0.19 0.05 0.00 -1.21 0.00 0.00 43.02 41.91 1mzu s PHE 92 CO -0.11 -0.86 0.13 -0.51 -1.34 0.00 0.00 175.22 172.53 1mzu s ASP 93 N -2.94 5.35 0.42 1.98 1.01 -1.26 -0.14 116.67 121.09 1mzu s ASP 93 Ca 0.15 -1.26 0.07 0.00 0.71 0.00 0.00 52.55 52.22 1mzu s ASP 93 Cb 0.01 -1.88 -0.03 0.00 1.01 0.00 0.00 42.92 42.03 1mzu s ASP 93 CO 0.01 -0.37 0.30 0.12 0.21 0.00 0.00 175.17 175.43 1mzu s PHE 94 N 1.38 2.62 0.31 4.23 5.36 -0.59 -4.97 117.98 126.32 1mzu s PHE 94 Ca -0.00 -0.55 0.01 0.00 -0.96 0.00 0.00 56.93 55.43 1mzu s PHE 94 Cb -0.20 -2.08 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1mzu s PHE 94 CO 0.02 -0.01 0.11 1.55 -1.46 0.00 0.00 175.22 175.43 1mzu n VAL 95 N -1.43 0.00 -3.42 3.12 3.14 -1.26 -1.25 118.33 117.23 1mzu n VAL 95 Ca 0.01 -1.33 -0.40 0.00 -2.96 0.00 0.00 64.34 59.66 1mzu n VAL 95 Cb 0.63 0.04 -0.09 0.00 -1.06 0.00 0.00 33.84 33.36 1mzu n VAL 95 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1mzu s PRO 102 N -3.18 3.78 -0.26 1.45 0.04 -1.26 -4.97 135.00 130.60 1mzu s PRO 102 Ca 0.08 -0.23 -0.02 0.00 0.04 0.00 0.00 61.00 60.87 1mzu s PRO 102 Cb -0.01 -3.73 0.03 0.00 0.04 0.00 0.00 34.50 30.83 1mzu s PRO 102 CO 0.05 -0.40 -0.03 0.54 0.04 0.00 0.00 177.00 177.21 1mzu s VAL 103 N 2.01 3.03 -0.15 -0.36 0.11 -1.26 -5.10 120.40 118.68 1mzu s VAL 103 Ca 0.12 -1.04 -0.29 0.00 -2.93 0.00 0.00 61.98 57.84 1mzu s VAL 103 Cb -0.16 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.10 1mzu s VAL 103 CO 0.11 0.13 1.06 -0.60 -3.33 0.00 0.00 175.10 172.47 1mzu s ARG 104 N 1.34 4.34 0.07 1.54 3.52 -1.26 -5.02 118.95 123.47 1mzu s ARG 104 Ca -0.00 1.42 0.07 0.00 -0.13 0.00 0.00 55.73 57.09 1mzu s ARG 104 Cb -0.17 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 1mzu s ARG 104 CO -0.03 -0.48 -0.19 0.14 -0.81 0.00 0.00 175.30 173.94 1mzu s VAL 105 N 2.60 1.51 -0.24 7.11 -7.23 -0.38 -4.73 120.40 119.04 1mzu s VAL 105 Ca 0.48 -1.32 -0.08 0.00 -1.81 0.00 0.00 61.98 59.24 1mzu s VAL 105 Cb -0.18 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1mzu s VAL 105 CO 0.13 0.00 0.10 -1.10 -0.31 0.00 0.00 175.10 173.93 1mzu s GLN 106 N -1.54 3.82 -0.11 4.82 -0.21 -0.04 -1.54 119.66 124.85 1mzu s GLN 106 Ca 0.05 -0.40 -0.03 0.00 0.02 0.00 0.00 55.36 55.00 1mzu s GLN 106 Cb -0.09 -3.38 -0.03 0.00 1.00 0.00 0.00 33.01 30.50 1mzu s GLN 106 CO 0.03 -0.06 0.00 0.42 -2.12 0.00 0.00 175.29 173.56 1mzu s ILE 107 N 1.32 4.28 -0.08 1.08 -1.09 0.80 -1.28 121.20 126.23 1mzu s ILE 107 Ca 0.06 -0.25 -0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1mzu s ILE 107 Cb -0.15 -2.83 0.03 0.00 -1.58 0.00 0.00 42.46 37.93 1mzu s ILE 107 CO 0.05 0.57 -0.03 -0.60 -1.23 0.00 0.00 174.94 173.69 1mzu s ARG 108 N -0.49 1.00 -0.09 2.79 6.06 -0.43 -1.53 118.95 126.25 1mzu s ARG 108 Ca 0.09 -0.06 0.03 0.00 -2.50 0.00 0.00 55.73 53.29 1mzu s ARG 108 Cb -0.12 -1.20 -0.01 0.00 0.06 0.00 0.00 34.95 33.67 1mzu s ARG 108 CO 0.02 -0.26 -0.18 -1.64 -2.50 0.00 0.00 175.30 170.74 1mzu s MET 109 N 1.76 2.97 0.24 5.12 -1.94 -0.13 0.43 119.30 127.76 1mzu s MET 109 Ca 0.03 -0.77 -0.15 0.00 -1.71 0.00 0.00 55.69 53.09 1mzu s MET 109 Cb -0.13 -2.42 0.01 0.00 2.01 0.00 0.00 34.83 34.30 1mzu s MET 109 CO -0.06 0.32 0.53 1.14 -0.01 0.00 0.00 175.02 176.94 1mzu s GLN 110 N 0.04 1.57 0.26 2.03 -2.07 -0.49 -1.78 119.66 119.22 1mzu s GLN 110 Ca -0.07 -1.14 -0.29 0.00 -1.82 0.00 0.00 55.36 52.04 1mzu s GLN 110 Cb -0.15 0.51 -0.09 0.00 -1.09 0.00 0.00 33.01 32.18 1mzu s GLN 110 CO 0.05 -0.67 0.95 -0.80 -1.32 0.00 0.00 175.29 173.50 1mzu s ASN 111 N -2.97 7.55 0.86 12.60 0.01 -1.20 -0.58 114.94 131.21 1mzu s ASN 111 Ca 0.18 1.95 -0.10 0.00 -0.71 0.00 0.00 52.86 54.18 1mzu s ASN 111 Cb -0.02 -2.60 0.16 0.00 0.41 0.00 0.00 41.25 39.20 1mzu s ASN 111 CO 0.07 0.09 1.19 0.00 -1.51 0.00 0.00 177.10 176.93 1mzu s ALA 112 N -1.27 2.80 -0.60 0.60 0.00 -0.77 -4.78 121.76 117.73 1mzu s ALA 112 Ca 0.43 -1.34 0.25 0.00 0.00 0.00 0.00 51.96 51.30 1mzu s ALA 112 Cb -0.25 -2.51 0.54 0.00 0.00 0.00 0.00 23.12 20.90 1mzu s ALA 112 CO 0.31 -2.01 1.59 0.78 0.00 0.00 0.00 175.76 176.43 1mzu h GLY 113 N -1.18 0.00 -5.30 0.00 0.00 -1.98 -3.45 103.07 91.16 1mzu h GLY 113 Ca -0.42 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.27 1mzu h GLY 113 CO 0.41 0.00 -0.41 -1.34 0.00 0.00 0.00 176.54 175.20 1mzu s VAL 114 N -3.16 5.36 0.47 4.60 -7.23 -1.26 -5.09 120.40 114.09 1mzu s VAL 114 Ca 0.08 0.25 -0.24 0.00 -1.81 0.00 0.00 61.98 60.26 1mzu s VAL 114 Cb 0.10 -3.51 -0.07 0.00 0.56 0.00 0.00 36.38 33.46 1mzu s VAL 114 CO 0.65 0.50 1.38 -2.84 -0.31 0.00 0.00 175.10 174.48 1mzu s PRO 115 N -1.37 3.60 -1.48 4.82 0.02 -1.26 -3.33 135.00 135.99 1mzu s PRO 115 Ca 0.22 2.30 -0.06 0.00 0.02 0.00 0.00 61.00 63.48 1mzu s PRO 115 Cb -0.13 -2.56 0.02 0.00 0.02 0.00 0.00 34.50 31.85 1mzu s PRO 115 CO 0.11 -0.84 0.58 -3.47 -0.33 0.00 0.00 177.00 173.04 1mzu n ASP 116 N -0.36 -5.47 -3.88 2.53 2.03 -1.26 -4.99 116.55 105.14 1mzu n ASP 116 Ca 0.06 -0.31 -0.15 0.00 0.52 0.00 0.00 54.79 54.91 1mzu n ASP 116 Cb 0.43 -4.44 -0.15 0.00 -0.72 0.00 0.00 41.12 36.24 1mzu n ASP 116 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1mzu s ARG 117 N -5.79 0.26 0.03 -0.67 3.00 -1.21 -3.84 118.95 110.73 1mzu s ARG 117 Ca 0.33 -0.04 0.04 0.00 0.00 0.00 0.00 55.73 56.06 1mzu s ARG 117 Cb -0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 34.95 34.46 1mzu s ARG 117 CO 0.41 -0.00 -0.12 0.71 0.00 0.00 0.00 175.30 176.29 1mzu s TYR 118 N 0.30 1.07 -0.08 -0.53 1.51 0.78 -1.85 117.35 118.55 1mzu s TYR 118 Ca -0.03 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.66 1mzu s TYR 118 Cb -0.05 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.12 1mzu s TYR 118 CO -0.01 0.01 0.10 -1.58 -1.11 0.00 0.00 175.55 172.96 1mzu s TRP 119 N -0.78 3.43 -0.19 2.71 0.52 0.26 -0.89 118.94 124.00 1mzu s TRP 119 Ca 0.00 0.38 0.00 0.00 0.02 0.00 0.00 56.10 56.51 1mzu s TRP 119 Cb -0.07 -1.86 0.04 0.00 -1.15 0.00 0.00 33.47 30.43 1mzu s TRP 119 CO 0.01 0.63 -0.09 0.42 0.02 0.00 0.00 176.95 177.94 1mzu s ILE 120 N -1.04 1.50 -0.16 2.03 1.01 -0.41 -1.39 121.20 122.73 1mzu s ILE 120 Ca 0.17 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 1mzu s ILE 120 Cb -0.12 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1mzu s ILE 120 CO 0.06 0.17 0.05 -0.36 0.00 0.00 0.00 174.94 174.87 1mzu s PHE 121 N 1.46 3.24 -0.19 3.97 0.08 0.17 -1.70 117.98 125.02 1mzu s PHE 121 Ca -0.00 0.07 -0.00 0.00 0.12 0.00 0.00 56.93 57.12 1mzu s PHE 121 Cb -0.16 -2.03 0.01 0.00 -0.57 0.00 0.00 43.02 40.28 1mzu s PHE 121 CO -0.08 0.21 -0.15 0.08 -0.10 0.00 0.00 175.22 175.17 1mzu s VAL 122 N 0.14 2.50 0.00 -0.44 1.01 0.12 -1.32 120.40 122.43 1mzu s VAL 122 Ca 0.04 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.30 1mzu s VAL 122 Cb -0.12 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1mzu s VAL 122 CO 0.01 0.50 -0.24 -0.60 0.00 0.00 0.00 175.10 174.77 1mzu s ARG 123 N 1.26 1.83 0.00 2.72 3.52 -0.40 -0.15 118.95 127.73 1mzu s ARG 123 Ca 0.03 -0.93 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 1mzu s ARG 123 Cb -0.14 -1.85 0.00 0.00 -1.56 0.00 0.00 34.95 31.40 1mzu s ARG 123 CO -0.08 0.50 0.00 1.63 -0.81 0.00 0.00 175.30 176.53